#DEFINITION	Reference Metabolome for Rostellularia procumbens
#IDENTTFIER	RefMeta-Rostellularia procumbens.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Rostellularia procumbens
#CREATION	07-JUN-2023
#PUBLICATION	RefMetaPlant: a reference metabolome database for plants across five major phyla
#JOURNAL	Nucleic Acids Research
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Rostellularia procumbens was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	12.6
59.99941	1.7
67.51074	3.1
70.28062	4.0
70.28407	2.0
79.01873	4.7
80.62361	1.6
82.01447	2.0
82.99848	3.3
83.01546	7.7
84.01192	2.6
88.02386	2.3
92.52519	1.8
100.02498	5.9
101.00881	35.8
101.02567	25.6
102.02257	8.0
107.38745	1.9
118.03545	4.5
119.01932	100.0
119.03622	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
56.05031	12.7
56.96568	16.1
58.50553	2.2
58.96169	1.3
59.04995	4.0
59.92397	1.1
59.93041	1.1
60.04528	2.9
60.95829	2.9
65.17872	1.4
67.51060	3.9
69.28290	1.2
70.07069	3.7
74.02438	5.4
74.06078	3.4
76.51579	1.8
79.01846	7.5
82.01503	1.3
82.99834	1.9
83.01510	2.1
83.04975	2.1
84.04517	2.8
84.08173	1.5
85.02891	2.8
88.02363	3.3
89.00251	2.8
92.52103	1.2
98.00768	2.1
98.64655	1.2
100.02487	2.7
101.00876	29.3
101.02608	6.6
101.06039	3.2
101.07150	1.5
101.07962	3.0
101.10795	5.0
102.00987	2.1
102.02264	1.4
102.05521	6.4
102.09191	3.9
118.03555	1.9
119.01917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89980	0.9
56.96565	2.3
57.03437	14.4
57.07080	8.1
57.25711	1.1
58.06601	50.8
60.08165	32.8
60.95844	1.7
61.14291	1.1
66.44591	0.8
67.05514	1.2
69.03430	4.5
69.55594	1.5
69.55970	1.6
75.06400	1.1
83.84229	0.9
85.06558	5.0
86.03260	1.0
86.06058	4.9
87.04473	10.4
95.04965	2.1
103.05463	6.2
103.07590	1.1
103.09522	2.0
103.13146	1.2
104.07128	5.6
104.10744	100.0
104.99611	1.0
111.22919	1.0
120.97868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05447	0.3
105.92756	0.3
123.23447	0.3
124.00603	0.3
148.05185	0.4
151.07533	5.8
151.08582	0.5
163.72925	0.3
166.06221	0.6
177.09021	0.3
181.08589	4.6
189.05197	0.5
189.09061	0.4
202.09955	0.3
203.10704	0.4
206.96977	0.3
217.12378	0.3
266.03186	0.3
292.37189	0.3
370.17813	1.0
425.19305	0.8
467.20435	2.0
527.22528	100.0
528.22784	1.5
648.16608	0.4
937.48090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.6728
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	0.7
80.97424	0.1
81.07050	2.3
83.08607	0.4
86.09702	50.4
91.05470	0.4
93.07040	0.7
95.08599	1.5
97.06534	0.2
97.10163	0.2
98.23390	0.1
98.98463	4.7
99.59103	0.1
104.10738	97.3
105.07016	0.3
105.11066	0.2
107.08597	0.5
109.10159	0.5
119.08527	0.1
121.10137	0.2
123.11706	0.2
124.99996	28.5
133.10112	0.2
135.11671	0.1
139.01575	0.4
143.01048	0.3
147.11655	0.2
163.01576	0.9
166.02640	0.1
181.02617	0.4
184.07332	100.0
185.07721	0.3
194.62985	0.1
198.08961	0.6
199.03712	0.1
233.80232	0.1
240.10069	0.2
252.23224	0.1
258.10989	0.8
263.73901	0.1
269.67242	0.1
304.81573	0.1
337.27295	1.0
443.25644	0.4
502.32910	8.0
503.33841	0.1
520.33948	94.9
521.34418	1.2
534.35449	1.6
542.32593	0.1
543.32477	0.1
623.44012	1.3
998.73810	0.1
1039.67554	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	3.5
59.07371	0.9
59.98114	0.2
60.08159	36.1
61.08484	0.4
69.03432	0.4
71.06104	0.3
87.04469	1.2
104.10734	100.0
105.10409	0.4
105.11056	2.5
109.04556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	2.9
59.07377	1.0
60.08162	34.2
61.08505	0.3
70.90536	0.2
73.95129	0.1
75.75158	0.2
82.08039	0.2
87.04481	0.2
89.04724	0.2
93.24933	0.2
93.41924	0.2
104.01186	0.2
104.10740	100.0
105.10417	0.3
105.11057	2.0
107.84379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82679	0.1
57.22294	0.1
58.06594	3.1
59.07378	0.9
60.08161	34.8
61.08490	0.3
69.03426	0.6
70.08053	0.1
70.08386	0.1
86.06065	0.4
86.09707	0.1
87.04457	1.4
88.07581	0.1
104.10738	100.0
105.10439	0.1
105.11063	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62157	3.3
53.03937	12.3
58.06592	9.4
58.44140	3.0
58.48604	3.2
59.06938	22.7
60.04515	14.0
60.08153	9.5
61.08486	14.1
76.43058	3.2
77.03928	18.3
79.05489	39.3
85.90327	3.1
87.00817	3.6
95.04971	68.7
102.01692	4.1
103.05476	23.0
105.03410	29.3
105.04499	40.1
105.07023	100.0
105.10496	3.6
105.11063	73.7
106.06561	43.1
106.07254	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
51.02375	0.5
53.03943	3.5
54.76818	0.3
55.40693	0.3
58.02921	0.3
58.06590	0.5
59.06928	1.0
59.08737	0.3
60.04517	0.7
60.08159	1.2
61.08503	1.5
69.94293	0.9
77.03920	4.6
79.05489	40.3
80.05817	0.8
81.03404	0.5
88.04793	0.5
89.45406	0.3
95.04964	16.5
98.22774	0.4
102.04690	0.3
102.74335	0.2
103.05464	29.4
104.05794	0.6
105.04520	8.3
105.07023	100.0
105.11057	8.4
106.06546	1.7
106.07362	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02385	0.9
52.11800	0.3
53.03951	3.5
56.84700	0.3
58.06591	0.5
59.06931	0.8
59.64588	0.3
60.04521	0.5
60.08169	1.2
61.08493	2.1
70.58070	0.5
77.03922	4.5
79.05489	40.1
80.05807	0.8
81.03448	0.5
95.04332	0.4
95.04963	15.7
103.05463	28.5
104.05764	0.7
105.04523	7.4
105.07024	100.0
105.11063	7.6
106.06550	1.7
106.07356	3.2
115.59820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.97097	0.4
51.02372	1.1
51.43964	0.4
53.03943	4.1
55.01864	0.6
56.96560	0.9
65.03938	0.4
71.08125	0.6
75.01016	0.5
77.03933	3.2
79.05491	71.7
80.05020	4.8
80.05816	1.7
83.52351	0.8
84.01577	0.6
91.05468	3.0
95.04966	16.9
96.04491	1.8
105.04515	7.6
105.07027	1.3
107.04951	100.0
107.06817	3.3
107.08571	1.4
108.04475	5.6
108.05292	2.5
108.08112	3.0
109.06514	0.9
119.06030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
65.03934	7.7
67.05517	1.3
69.60563	2.5
77.03938	0.7
79.05488	17.7
80.05019	2.0
81.50915	0.7
85.23328	0.6
88.05741	0.6
91.05476	100.0
92.05758	2.9
92.06271	2.6
95.04951	4.3
105.04521	1.4
105.07022	33.7
106.07337	1.3
107.04952	21.8
107.08588	50.1
108.04481	2.7
108.05186	1.0
108.08127	3.1
108.08866	1.3
109.06511	19.7
111.74493	0.6
116.58567	0.7
119.06067	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03938	1.6
65.03940	9.6
67.05518	3.0
77.03910	0.7
79.05494	20.4
80.04993	1.5
80.05804	0.9
91.05481	100.0
92.05801	2.1
92.06277	1.9
95.04966	4.1
105.04501	1.8
105.07030	36.2
106.07362	1.1
107.04958	20.8
107.06071	0.9
107.08595	54.3
108.04455	1.6
108.08102	3.3
108.08922	2.4
109.06519	21.5
110.61817	0.6
119.06073	14.3
120.06389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
57.46228	0.5
57.63228	0.5
65.03938	9.4
67.05493	2.0
70.33392	1.2
79.05492	20.4
80.05014	1.7
80.05826	0.6
91.05477	100.0
92.05752	2.6
92.06306	2.9
95.04978	2.7
103.05482	0.6
105.04512	1.5
105.07027	38.2
106.07342	0.9
107.04947	13.3
107.08588	53.7
108.04456	1.3
108.08119	2.0
108.08910	1.7
109.06513	19.8
110.06857	0.9
119.06059	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	1.1
65.03938	10.0
67.05497	1.6
77.03928	0.7
79.05039	1.0
79.05492	18.0
80.05011	0.7
91.05478	100.0
92.05744	2.6
92.06310	2.5
95.04967	2.4
103.05456	0.5
105.04520	0.7
105.07027	35.0
106.07349	1.2
107.04948	9.1
107.08589	51.0
108.04501	1.0
108.08128	1.1
108.08916	1.9
109.06516	19.3
110.06843	0.5
119.06066	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.27088	0.5
55.01872	0.9
65.03941	10.0
67.05498	1.1
69.11058	2.2
69.11478	1.1
77.03905	0.8
79.05490	15.9
80.04997	1.9
80.05844	0.8
91.05477	100.0
92.05778	3.5
92.06327	2.6
95.04958	4.2
105.04555	2.5
105.07026	33.9
106.07371	1.5
107.04951	23.5
107.06953	1.4
107.08591	51.7
108.04468	2.6
108.05199	0.9
108.08116	3.4
108.08930	1.6
109.06516	18.7
110.06851	0.7
117.04488	0.5
119.06065	15.4
120.06473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
55.01884	0.3
60.45559	0.3
64.21088	0.4
65.03938	8.6
67.05498	1.0
69.85938	1.0
77.03924	0.6
79.05489	12.1
80.05007	0.4
80.05849	0.4
85.63824	0.3
91.05477	100.0
92.05782	3.0
92.06312	1.9
95.04959	1.3
103.05452	0.4
105.04505	0.7
105.07027	32.4
106.07351	1.3
107.04955	7.1
107.08590	52.9
107.17717	0.3
108.04482	0.5
108.08151	0.5
108.08920	1.5
109.06515	20.0
110.06835	0.5
119.06056	14.9
120.06407	0.4
120.45808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
63.02362	0.5
65.03939	8.7
67.05496	1.5
70.18539	0.5
70.69982	0.7
77.03924	1.0
78.83322	0.5
79.05042	0.9
79.05491	15.2
80.05001	0.6
91.05477	100.0
92.05760	3.1
92.06311	2.3
95.04948	1.7
103.05391	0.5
105.04520	1.2
105.07026	34.5
106.07345	1.2
107.04960	8.6
107.08588	52.9
108.04477	0.9
108.08115	1.6
108.08922	1.8
109.06515	19.2
110.06856	0.8
119.06061	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
60.29177	0.5
60.43390	0.4
63.44506	0.5
65.03939	9.5
67.05501	1.2
70.73601	0.8
78.75781	0.4
79.05491	15.7
91.05478	100.0
92.05762	2.8
92.06270	1.8
95.04971	1.9
105.04552	1.0
105.07028	30.4
106.04190	0.7
106.07369	0.7
107.04949	7.4
107.08589	50.5
108.08170	0.7
108.08926	2.1
109.06514	20.2
110.06846	0.5
119.06058	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
59.27850	0.5
59.28149	0.4
65.03948	8.5
67.05510	1.7
70.24619	1.1
77.03931	1.2
79.05499	21.8
80.05030	0.7
91.05487	100.0
92.05804	1.9
92.06325	2.5
93.89709	0.5
95.04981	4.0
105.04520	1.9
105.07038	31.7
106.07388	1.3
107.04966	14.9
107.08601	51.3
108.04470	1.4
108.08121	2.8
108.08940	1.9
109.06528	19.4
119.06076	15.3
120.75705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04418	0.1
79.05446	0.2
81.03419	1.7
81.07050	0.1
83.01315	0.2
83.04991	0.5
85.02905	8.8
85.03387	0.3
87.04470	2.2
91.03912	0.1
91.05423	0.3
95.01334	0.1
95.04917	0.3
96.19192	0.1
97.02893	9.6
99.04453	3.3
103.03946	3.4
107.04890	0.3
109.02868	1.0
109.06418	0.1
111.04454	0.9
113.02316	0.3
115.03933	5.5
117.05425	0.1
123.04391	0.2
125.02334	0.2
127.03915	4.7
133.04073	0.1
133.04968	1.5
135.04385	0.3
137.02301	0.1
137.05920	0.2
139.03020	0.1
139.03899	1.1
143.03304	0.3
145.04013	0.1
145.04973	1.5
147.04337	0.2
149.02306	0.1
151.03854	0.3
153.05437	0.3
157.04953	1.2
159.14658	0.1
160.49385	0.1
161.04500	0.4
161.05594	0.1
163.03819	0.2
163.06038	0.9
165.05426	0.3
169.04865	0.2
175.06027	1.0
178.07660	0.2
181.04955	0.3
189.06935	0.1
193.05066	0.4
199.06018	0.2
203.05391	0.1
203.07098	0.2
204.05684	0.1
205.06425	0.3
206.07210	0.5
207.08047	0.2
211.05981	0.8
216.05707	0.2
217.06645	0.2
218.07161	0.2
219.07974	0.3
220.08705	0.1
221.05952	0.2
222.06686	0.1
223.05936	0.2
229.07100	1.4
230.07410	0.1
232.05122	0.1
233.05933	0.7
234.06763	1.8
235.07530	0.9
236.08313	0.2
239.10780	0.1
241.07043	0.2
244.05278	0.1
245.05988	0.1
246.06755	0.3
247.07703	1.0
248.08284	0.9
249.05341	0.2
249.09122	1.2
251.06950	0.3
251.10690	0.7
253.08670	0.1
259.08081	0.3
261.05524	0.2
262.06241	1.1
263.07022	1.4
264.07803	0.7
265.08994	1.0
266.09360	0.2
267.10269	0.4
267.13779	0.1
274.06195	0.6
275.07095	0.4
275.09674	0.1
276.07816	0.8
277.08655	9.7
278.09326	0.9
279.06934	0.1
279.10120	1.9
280.07547	0.1
280.10382	0.1
281.07834	0.1
281.11804	0.1
289.05078	0.2
289.09113	1.1
290.05777	0.7
291.06509	2.2
292.07327	0.8
293.04807	0.1
293.08038	0.4
294.08832	0.6
295.09558	0.6
297.07230	0.1
302.05832	0.3
303.06442	0.1
304.07129	0.5
305.08075	10.5
305.37628	0.1
306.05246	0.1
306.08682	0.3
307.06052	0.2
307.09622	2.1
308.06839	0.2
309.07547	0.1
309.11169	1.7
317.04599	0.1
318.05084	0.1
319.06009	3.2
319.09796	0.2
320.06714	0.6
321.07660	0.5
322.08316	0.2
323.09195	1.6
325.10623	0.3
331.05930	0.1
332.06882	0.2
333.07574	11.2
334.08096	0.2
335.05792	0.1
335.09125	3.0
336.06015	0.1
336.09772	0.1
337.10699	6.0
338.11337	0.1
348.06342	0.1
349.06958	0.6
350.07925	0.2
351.08624	7.5
352.09180	0.2
353.10275	0.4
363.08612	12.7
364.08859	0.3
373.11093	0.3
374.10037	0.1
381.09668	100.0
382.09912	1.7
391.12360	1.0
405.09387	0.1
409.13452	0.4
415.11774	0.2
423.10843	0.3
459.10715	0.3
477.11743	0.3
495.12756	0.8
513.13965	13.3
514.14429	0.2
645.18103	6.5
646.18176	0.2
669.18268	0.2
727.21893	0.3
735.19580	0.1
753.20319	0.4
771.21198	1.4
789.22333	1.1
850.65338	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.6994
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09703	4.1
89.51242	0.2
100.11277	0.4
114.09223	0.6
142.08649	0.3
152.14374	0.2
154.08379	1.3
164.06870	0.6
202.10744	0.3
221.16214	0.6
222.11101	0.3
235.14287	0.4
249.15935	0.8
263.17490	0.2
266.18597	0.2
267.16794	1.9
270.09598	0.3
277.15265	0.3
289.18832	0.5
293.14883	0.2
303.20593	0.4
320.23212	0.9
322.17780	0.3
334.21313	0.3
334.24533	1.3
335.19629	0.5
344.23407	0.6
348.22855	0.9
349.21033	0.4
360.22696	0.3
361.25842	0.4
362.24191	0.3
376.21985	0.2
378.23914	0.7
379.27084	0.8
380.25201	1.3
389.25360	0.5
402.27536	0.8
406.23477	0.5
416.29108	0.5
422.22714	0.2
429.28363	0.3
447.33255	2.4
448.28448	0.6
450.26025	0.4
457.31534	0.3
460.32721	0.3
461.31281	0.3
462.29526	0.3
466.29285	0.6
473.31299	0.4
488.32440	0.4
493.33374	1.1
515.35785	1.0
529.37268	0.2
546.39893	1.9
549.37091	0.2
558.39874	0.3
560.41510	0.5
561.36353	0.4
574.39606	0.7
602.39398	0.4
604.40674	0.9
606.42053	0.4
648.39758	0.3
659.48578	0.7
671.47437	0.3
676.42981	0.3
692.46057	0.6
694.44189	0.7
705.49945	0.3
708.44971	0.2
715.48047	0.7
717.48846	0.3
719.50513	0.6
722.43585	0.3
733.47791	0.3
741.16986	0.2
761.48254	0.6
772.56903	0.3
787.51141	0.3
807.52557	0.6
818.57202	0.4
821.53888	0.4
830.56354	0.4
835.51599	0.8
852.54022	0.3
874.56708	0.9
876.57794	0.3
888.61493	0.3
918.62408	0.5
920.60974	0.3
930.59424	0.4
934.61731	0.4
948.59558	0.7
991.55457	0.3
1017.68384	0.8
1047.70203	1.5
1075.69812	100.0
1076.70117	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03933	2.6
53.58321	0.7
55.05510	8.1
65.03923	4.1
67.05503	100.0
68.05829	2.2
69.07057	5.8
79.05490	9.0
80.06308	0.9
81.03402	1.5
81.07054	30.9
82.06564	2.3
87.00441	0.9
90.01981	0.8
91.05513	1.3
94.04164	0.9
107.08587	3.0
109.06532	7.2
109.07684	5.0
109.10150	56.7
110.06040	13.7
110.10508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.30886	0.6
53.03955	0.8
55.05511	8.5
62.96031	0.6
65.03941	3.7
67.05502	100.0
68.05841	2.4
69.07063	5.9
78.01334	0.7
79.05485	8.1
80.05806	0.8
80.06274	1.3
81.07053	29.6
82.06582	0.9
91.05476	1.5
94.07811	0.8
107.08576	3.1
109.06501	3.8
109.07657	4.8
109.10150	56.0
110.06036	10.1
110.10490	1.7
115.44355	0.7
121.32773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03960	1.6
53.75465	0.7
55.05517	9.7
65.03945	4.0
67.05511	100.0
69.07086	3.9
79.05499	7.5
80.06294	1.4
81.03432	2.6
81.07063	33.9
82.06583	1.0
82.07373	0.9
83.06102	0.8
83.76759	0.8
91.05486	1.0
94.04165	0.9
94.07859	1.6
107.08627	3.9
109.02900	1.1
109.06538	4.8
109.07670	2.7
109.10165	60.8
110.06062	6.4
110.10517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	3.2
55.01856	0.5
55.05511	9.6
56.95443	0.5
65.03950	3.8
67.05502	100.0
68.05832	1.8
69.07062	5.8
71.46255	0.4
74.28890	0.4
79.05492	13.0
80.05009	0.4
80.06281	1.0
81.03419	4.3
81.07055	35.1
82.06582	1.2
82.07384	1.0
87.00452	0.5
91.05466	2.2
94.04176	1.0
94.07819	1.0
101.36909	0.4
105.07020	0.5
107.05013	0.6
107.08571	3.4
109.02859	1.9
109.05769	0.5
109.06519	13.9
109.07652	5.1
109.10152	65.8
110.06036	8.2
110.06906	0.4
110.07137	0.5
110.10503	2.7
113.96349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	2.4
55.05511	8.4
65.03948	4.0
67.05502	100.0
68.05830	2.4
69.07069	5.0
79.05489	7.0
80.06268	1.0
81.03419	1.5
81.07053	28.6
82.06565	0.7
82.07372	1.5
90.61102	0.6
91.05483	1.1
94.07823	1.2
99.32458	0.6
107.08587	3.7
108.75653	0.6
109.02909	0.8
109.06513	2.2
109.07655	2.1
109.10152	51.0
110.06029	6.0
110.10468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5804
Annotation	Unknow
Peak:m/z	Relative Intensity
77.02650	0.6
79.05497	1.4
81.03432	5.4
81.07056	3.8
83.04983	15.6
83.08617	0.9
85.02904	100.0
87.04462	2.2
91.03960	5.4
91.05482	1.6
93.07034	4.6
95.04977	1.2
95.08597	5.7
97.02895	24.8
97.10162	1.3
97.98703	0.6
98.23461	0.6
99.04463	4.9
101.06047	4.5
105.07037	5.2
107.08596	4.7
109.02879	9.1
109.10159	3.7
111.04443	10.6
111.08068	1.2
115.03920	1.0
117.07004	2.2
118.06334	0.5
119.08596	4.3
121.10140	3.9
123.11731	1.3
127.03912	28.9
129.05484	9.2
129.06956	0.9
131.08630	2.9
133.10150	3.2
135.11699	3.3
141.06950	0.7
143.08546	3.2
145.04959	57.2
145.10104	7.9
147.06509	9.1
147.11691	3.8
149.13261	2.4
151.03990	0.9
155.08589	2.2
157.10126	4.1
159.11713	3.1
161.13347	2.2
163.06020	23.7
163.14796	1.3
169.10130	2.5
171.11641	3.5
173.13246	5.0
175.14825	1.7
177.05481	0.6
181.05022	0.8
181.10088	0.7
183.11713	1.4
185.13277	2.2
187.14799	11.7
189.16388	0.7
195.11754	1.0
197.13275	1.9
199.06070	2.4
199.14850	1.8
201.16397	2.9
205.15868	3.4
207.06532	0.9
209.09769	0.7
211.14813	2.4
213.07831	0.9
213.16379	3.9
215.17998	1.7
217.07079	4.6
223.14845	1.1
223.16937	1.0
225.16444	2.1
227.17953	2.8
233.19162	1.0
237.07674	3.0
237.09749	0.6
237.16383	1.5
239.17963	2.2
241.19455	3.7
245.19014	0.7
251.17952	1.0
253.19583	3.3
255.08623	4.7
259.20667	1.4
265.19427	1.7
267.21149	3.1
271.08121	1.4
271.20493	0.6
273.09695	14.2
283.20493	1.0
285.22086	0.9
287.23724	0.9
289.09164	4.7
291.10709	6.2
309.11780	24.5
325.11285	41.0
350.80640	0.7
361.28882	1.5
389.31912	1.1
401.32040	0.9
407.33038	5.1
419.33035	12.4
437.34134	46.2
438.34521	0.9
455.35202	27.5
491.82019	0.7
583.39728	2.8
601.40857	2.2
617.40137	1.3
625.06158	0.7
763.45734	1.3
768.41986	0.6
779.46002	0.7
782.11682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5804
Annotation	Unknow
Peak:m/z	Relative Intensity
77.02650	0.6
79.05497	1.4
81.03432	5.4
81.07056	3.8
83.04983	15.6
83.08617	0.9
85.02904	100.0
87.04462	2.2
91.03960	5.4
91.05482	1.6
93.07034	4.6
95.04977	1.2
95.08597	5.7
97.02895	24.8
97.10162	1.3
97.98703	0.6
98.23461	0.6
99.04463	4.9
101.06047	4.5
105.07037	5.2
107.08596	4.7
109.02879	9.1
109.10159	3.7
111.04443	10.6
111.08068	1.2
115.03920	1.0
117.07004	2.2
118.06334	0.5
119.08596	4.3
121.10140	3.9
123.11731	1.3
127.03912	28.9
129.05484	9.2
129.06956	0.9
131.08630	2.9
133.10150	3.2
135.11699	3.3
141.06950	0.7
143.08546	3.2
145.04959	57.2
145.10104	7.9
147.06509	9.1
147.11691	3.8
149.13261	2.4
151.03990	0.9
155.08589	2.2
157.10126	4.1
159.11713	3.1
161.13347	2.2
163.06020	23.7
163.14796	1.3
169.10130	2.5
171.11641	3.5
173.13246	5.0
175.14825	1.7
177.05481	0.6
181.05022	0.8
181.10088	0.7
183.11713	1.4
185.13277	2.2
187.14799	11.7
189.16388	0.7
195.11754	1.0
197.13275	1.9
199.06070	2.4
199.14850	1.8
201.16397	2.9
205.15868	3.4
207.06532	0.9
209.09769	0.7
211.14813	2.4
213.07831	0.9
213.16379	3.9
215.17998	1.7
217.07079	4.6
223.14845	1.1
223.16937	1.0
225.16444	2.1
227.17953	2.8
233.19162	1.0
237.07674	3.0
237.09749	0.6
237.16383	1.5
239.17963	2.2
241.19455	3.7
245.19014	0.7
251.17952	1.0
253.19583	3.3
255.08623	4.7
259.20667	1.4
265.19427	1.7
267.21149	3.1
271.08121	1.4
271.20493	0.6
273.09695	14.2
283.20493	1.0
285.22086	0.9
287.23724	0.9
289.09164	4.7
291.10709	6.2
309.11780	24.5
325.11285	41.0
350.80640	0.7
361.28882	1.5
389.31912	1.1
401.32040	0.9
407.33038	5.1
419.33035	12.4
437.34134	46.2
438.34521	0.9
455.35202	27.5
491.82019	0.7
583.39728	2.8
601.40857	2.2
617.40137	1.3
625.06158	0.7
763.45734	1.3
768.41986	0.6
779.46002	0.7
782.11682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0758
Annotation	trans-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.03958	1.5
55.01870	3.7
55.05513	2.0
57.03435	3.0
58.06617	1.4
67.05500	5.9
69.03442	1.6
69.07073	60.3
70.06596	100.0
70.07384	3.8
71.04999	24.5
73.02916	3.6
73.06554	3.8
79.05493	11.6
95.04961	3.0
97.06521	11.7
98.06063	1.7
98.23445	2.8
108.17782	1.4
115.05513	7.3
115.07553	2.0
115.08727	2.7
115.09505	10.4
116.07076	11.7
116.10753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	1.2
51.02369	4.2
53.03941	18.1
53.12438	1.3
55.05502	2.1
58.06598	26.5
59.07108	1.6
59.07380	22.3
70.22838	2.7
70.55865	1.3
72.08154	18.6
73.02399	1.1
73.02882	2.1
77.03934	18.8
81.03415	1.3
91.05481	28.4
91.06047	1.7
93.07075	1.5
95.04963	81.2
96.05271	1.4
96.44767	1.2
103.05462	2.5
104.06218	1.9
105.04512	41.8
115.05446	2.0
116.05799	3.7
117.06999	7.3
118.05663	2.1
118.06544	93.0
118.07300	6.9
118.08647	100.0
119.06828	2.3
119.08553	19.0
138.95343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02375	1.0
53.03743	0.4
53.03946	5.1
55.05505	1.4
58.06598	23.7
59.07379	22.4
67.46949	0.4
70.06575	0.6
71.04996	0.5
72.08155	7.7
73.02913	0.7
77.03919	3.1
78.69026	0.4
86.87664	0.4
91.05478	4.7
95.04965	26.7
100.07581	0.4
105.04513	12.1
105.64266	0.4
112.34722	0.5
114.41912	0.4
116.05830	0.8
117.07015	1.1
118.06546	28.5
118.08647	100.0
119.06112	0.6
119.06873	0.9
119.08459	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02365	1.2
51.33275	0.4
53.03944	5.4
55.05515	0.5
58.06302	0.8
58.06599	21.9
59.07380	22.7
69.09846	0.4
71.17993	0.9
72.08151	5.0
73.02928	0.6
77.03926	5.4
91.05477	10.7
95.04967	25.1
103.05464	0.9
104.06246	1.0
105.04516	13.0
106.78571	0.4
115.05452	0.7
116.05781	0.6
117.07015	1.8
118.06547	28.6
118.08648	100.0
119.06107	0.6
119.06873	0.8
119.08521	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	1.4
53.03949	7.4
55.05515	0.9
58.06602	21.7
59.07385	24.0
69.15949	2.8
72.08154	5.3
73.02908	0.7
77.03929	5.6
81.03439	0.9
91.05488	6.4
95.04972	32.4
96.05314	0.6
101.49763	0.5
105.04519	15.5
105.47002	0.5
106.04861	0.5
116.05831	1.1
117.07091	1.2
118.06554	38.3
118.08659	100.0
119.06100	0.9
119.06873	1.4
119.08517	3.9
124.72026	0.6
130.62254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
50.97469	0.2
54.93031	0.2
55.76945	0.2
58.06597	24.2
59.07379	25.5
60.07716	0.2
70.13285	0.4
70.13626	0.3
72.08162	0.6
98.23390	0.3
118.08647	100.0
119.08243	0.3
119.08994	2.5
139.70876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52197	0.2
55.05489	0.2
56.21607	0.2
58.06597	23.9
59.07380	23.9
63.10354	0.2
65.19263	0.2
72.08153	1.4
100.93669	0.3
118.08647	100.0
119.08987	2.6
126.52184	0.3
128.10564	0.2
131.28574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.544
Annotation	Unknow
Peak:m/z	Relative Intensity
82.93113	0.1
98.22952	0.5
185.24600	0.1
190.96458	0.1
207.55054	0.1
237.13934	0.1
264.69348	0.1
373.14651	0.1
387.16196	0.1
388.16507	0.2
389.17233	0.5
401.17899	0.2
402.18405	0.4
403.19247	1.4
404.20071	0.6
405.20758	0.9
406.21405	0.2
415.19498	0.1
416.19971	0.4
417.16788	0.5
417.21338	2.1
418.21786	1.0
419.22339	2.1
420.23102	0.1
421.23737	0.1
429.21078	0.1
430.17691	0.3
430.22357	0.2
431.18143	5.1
432.18436	1.3
432.23782	0.4
433.24200	4.1
434.24692	1.0
443.18515	0.1
444.18762	0.2
444.23871	0.2
445.19940	6.2
446.20660	3.1
447.21692	3.6
448.22635	0.2
449.23541	0.4
458.20798	0.1
459.21539	2.8
460.22510	6.8
461.23221	5.5
462.19562	0.2
462.24683	0.2
463.21527	0.3
473.23819	1.7
474.24463	0.4
476.26566	0.4
477.21964	0.7
478.23328	0.1
487.25269	0.7
488.26242	0.1
489.18790	0.2
489.27020	0.4
490.19598	0.1
491.25012	0.7
492.25113	1.0
493.25568	0.1
501.22589	0.1
504.21368	0.2
505.21964	3.7
506.22195	0.1
515.24298	0.4
517.25922	0.1
518.23193	0.3
519.23853	0.6
520.24408	0.1
533.25452	27.7
534.25818	1.0
547.26941	0.3
549.22430	0.2
550.25897	0.1
551.26123	0.1
561.25006	0.5
564.23560	1.0
565.28400	0.8
575.26440	0.4
578.25055	0.2
592.26746	0.4
593.27509	100.0
594.27881	2.8
594.37537	0.1
772.15491	0.1
956.33997	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04697	2.1
67.46480	2.0
69.80491	8.9
91.05462	6.0
100.02506	3.5
101.00877	36.4
103.02415	3.0
105.40018	1.9
113.27218	2.1
118.03537	2.1
119.01917	100.0
120.02041	7.1
137.02968	25.3
138.03056	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06929	1.6
58.06589	4.0
59.06929	3.1
59.07375	2.6
59.14513	1.5
59.97547	1.6
60.07700	7.1
69.07069	3.3
69.80160	3.3
82.01425	2.6
82.99844	2.4
91.05476	5.8
92.02479	1.7
100.02483	3.3
101.00876	36.7
101.66309	1.6
102.01037	2.6
102.05509	1.7
102.09161	5.5
111.09290	1.3
114.56320	1.4
118.71806	1.6
119.01910	100.0
119.03543	7.7
119.08996	38.9
120.01984	7.6
120.10234	2.7
131.01892	2.4
137.02948	19.1
138.03065	2.5
138.20932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	6.1
59.06315	1.6
59.06927	7.5
59.07371	6.1
59.59186	1.8
60.07727	8.6
69.07053	2.3
70.94004	2.3
82.01422	2.5
82.99865	2.1
91.05492	9.2
92.02514	3.1
100.02487	4.7
101.00885	34.2
102.09176	5.0
119.01927	100.0
119.03554	15.3
119.06104	2.5
119.09009	61.9
120.02037	7.0
120.05659	1.6
120.10240	5.0
131.01926	1.6
137.02956	24.7
138.03178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
58.06580	2.1
59.06937	2.6
59.07348	1.3
60.07692	2.8
61.16160	0.8
65.03928	3.0
71.44765	0.8
74.06060	0.8
77.03913	1.8
79.05481	4.4
91.05489	78.6
92.05795	2.3
93.07038	5.2
94.42763	0.8
95.04938	3.8
96.67693	0.8
103.05472	11.7
104.06277	9.4
104.33086	0.7
105.04495	1.4
109.06496	1.2
115.05476	3.9
117.07025	36.8
118.07372	1.9
119.06033	3.1
119.08556	100.0
120.04473	1.2
120.05568	3.5
120.08101	1.6
120.08897	4.7
121.06442	1.3
133.74214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03959	0.8
58.06599	3.4
59.05975	0.7
59.06936	3.7
59.07387	2.9
60.07722	4.6
60.28494	0.7
65.03943	2.8
69.46992	1.5
69.47382	1.8
77.03935	1.2
78.04728	1.0
79.05496	6.3
91.05489	97.0
92.05833	2.4
93.07063	6.2
95.04991	3.5
96.05318	1.1
103.05473	14.2
104.06268	10.8
105.04543	2.2
109.06536	1.0
115.05487	6.6
117.07030	45.8
118.07376	1.7
119.06097	3.1
119.06855	2.3
119.08530	100.0
120.04485	0.9
120.05616	2.6
120.08155	1.5
120.08974	5.2
130.84755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03964	0.6
54.27314	0.5
56.05032	0.6
58.06609	0.7
59.06947	0.9
59.07418	0.9
60.07725	0.8
61.90668	0.5
63.99271	0.5
65.03963	1.7
77.03936	1.0
78.04733	0.8
79.05499	6.9
83.73396	0.5
91.05483	100.0
92.05831	2.9
93.07056	3.7
95.04950	3.7
96.05304	1.6
98.22676	1.8
102.09164	0.6
103.05472	8.6
104.05672	0.7
104.06265	8.2
105.04527	1.6
106.04876	0.9
108.55709	0.5
109.06450	0.7
110.67770	0.5
115.05459	3.4
117.07024	27.4
118.07316	1.1
119.06038	2.4
119.06827	2.0
119.08562	69.5
120.04510	0.8
120.05560	2.3
120.08075	1.1
120.08915	3.7
121.06488	0.7
131.06032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01862	1.3
55.05526	0.6
56.84359	0.4
62.02396	0.4
65.03938	43.2
66.04264	1.2
67.05496	0.4
68.99780	1.7
69.38382	1.0
69.38791	1.2
77.03925	1.0
79.05489	5.0
79.16492	0.4
81.07051	0.5
86.77148	0.4
91.05473	6.3
93.03396	8.2
93.04480	1.0
93.07037	8.8
94.06567	0.4
95.04964	3.3
103.05470	3.6
105.04503	1.6
105.07027	9.1
107.07307	2.6
111.04436	21.3
119.08527	1.0
121.02859	100.0
121.03969	38.9
121.06476	5.9
121.07401	0.7
121.07681	0.7
121.10116	6.9
122.03203	2.9
122.04285	0.7
122.06011	2.0
122.09656	5.0
123.08070	0.9
133.07584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01583	1.0
51.02386	2.8
53.03951	17.8
55.01875	25.5
56.05022	1.1
58.99567	1.2
65.03939	9.6
67.05511	1.3
68.95502	0.9
70.41570	2.1
71.82705	0.9
74.00266	1.0
77.03933	13.3
78.04720	1.8
79.05497	10.3
80.05029	1.4
80.17382	0.9
80.93205	1.6
81.03425	3.6
81.04562	1.7
86.99094	0.9
91.05483	100.0
92.05818	4.0
93.03410	1.6
93.04528	1.7
93.07046	84.0
94.06551	2.6
94.07387	3.0
95.04970	75.1
96.05264	2.2
103.05468	47.2
104.05811	5.3
105.04517	37.7
105.07059	2.0
107.07351	4.0
111.04470	1.6
120.97884	1.2
121.01688	3.3
121.02879	14.8
121.03999	5.5
121.06516	68.6
121.08359	4.7
122.06038	7.1
122.06851	2.5
122.09670	14.1
139.02667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.05508	1.4
59.12094	0.7
59.46104	0.7
65.03944	1.2
67.05490	1.3
71.33447	0.9
73.33031	0.8
77.03922	2.3
79.05489	30.6
89.16291	0.8
91.05474	11.4
93.04479	0.9
93.06451	1.4
93.07041	28.4
94.04139	0.8
94.07374	0.9
95.04952	8.3
103.05469	14.4
105.04521	5.0
105.07024	100.0
106.07297	2.5
106.07943	3.6
107.07338	1.8
108.78078	0.8
119.08577	13.6
121.02908	1.5
121.03970	1.9
121.06516	6.0
121.10138	73.9
122.06027	3.1
122.07069	0.7
122.08064	0.8
122.09651	5.5
122.10488	3.1
123.08064	11.1
133.07594	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1016
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.83268	0.9
53.03944	2.3
55.05515	1.5
65.03947	1.3
66.95460	0.9
67.05515	2.8
69.47582	4.0
74.24146	1.0
77.03927	4.1
79.05500	31.2
91.05491	14.4
93.04547	1.8
93.07054	36.6
95.04989	10.3
103.05482	15.2
105.04529	4.6
105.07039	100.0
105.56322	1.1
106.07268	2.2
106.07835	4.6
107.07360	3.3
119.08603	12.9
121.02877	1.7
121.04005	3.0
121.06551	6.5
121.10154	78.2
122.06021	2.7
122.09676	6.4
122.10498	4.8
123.08078	13.7
133.07622	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83268	0.9
53.03944	2.3
55.05515	1.5
65.03947	1.3
66.95460	0.9
67.05515	2.8
69.47582	4.0
74.24146	1.0
77.03927	4.1
79.05500	31.2
91.05491	14.4
93.04547	1.8
93.07054	36.6
95.04989	10.3
103.05482	15.2
105.04529	4.6
105.07039	100.0
105.56322	1.1
106.07268	2.2
106.07835	4.6
107.07360	3.3
119.08603	12.9
121.02877	1.7
121.04005	3.0
121.06551	6.5
121.10154	78.2
122.06021	2.7
122.09676	6.4
122.10498	4.8
123.08078	13.7
133.07622	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02362	0.9
53.03934	2.9
55.01856	0.8
55.05500	1.7
65.03924	1.9
67.05501	1.0
77.03919	2.9
79.05489	36.6
80.05798	1.2
81.07044	0.9
91.05479	20.9
93.04518	1.7
93.07039	38.9
94.06550	1.0
94.07371	1.0
95.04964	13.3
96.54807	0.7
103.05463	19.6
103.09470	0.6
105.04530	8.0
105.07025	100.0
106.06634	1.3
106.07895	5.5
107.04932	1.5
107.07333	10.8
111.04376	0.8
119.08576	13.5
121.02872	3.0
121.03995	4.3
121.06519	11.2
121.10140	74.8
122.06052	3.3
122.06805	1.0
122.09670	19.6
122.10484	2.6
123.08077	13.6
128.82863	0.7
133.07610	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05498	2.0
65.03947	1.1
67.05522	0.9
70.47939	1.1
70.48320	0.7
77.03921	4.2
79.05497	32.7
80.77502	0.8
91.05482	15.2
93.07052	30.2
95.04977	12.9
103.05470	16.6
105.04547	6.2
105.07038	100.0
106.07888	6.3
113.38158	0.8
119.08594	14.7
121.02837	1.7
121.04025	1.6
121.06548	5.7
121.10152	77.3
122.06043	2.0
122.09667	4.7
122.10495	2.8
123.08080	14.0
133.07623	10.8
138.25127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11715	0.6
53.03953	0.6
57.03436	1.3
58.99882	1.4
61.02939	1.0
67.57201	0.6
69.03432	1.8
70.72659	1.3
78.03465	2.6
80.05015	16.7
80.62350	0.6
81.01919	0.7
82.01437	24.0
82.01907	1.3
82.99847	2.0
88.10553	0.6
91.55450	0.7
93.01881	0.7
93.53491	0.7
95.04969	1.2
96.04488	6.4
97.02864	1.0
100.02477	76.4
101.00874	25.2
101.02590	2.7
102.02377	0.9
106.02890	1.8
112.03857	1.0
115.02404	0.8
118.03515	33.6
119.01912	100.0
123.04095	1.8
123.05543	55.7
123.09179	0.7
124.02506	1.3
124.03941	21.6
124.05882	0.8
131.01877	2.5
133.03448	0.8
136.04543	1.1
137.02951	26.0
141.05128	0.8
142.03491	6.1
143.01894	0.6
143.95132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11333	0.5
57.03443	1.0
58.99857	1.3
59.46159	0.5
60.96253	0.5
61.02927	1.1
61.06660	0.5
69.03426	1.1
69.74854	1.4
69.75177	0.6
78.03463	2.3
78.52983	0.7
78.55145	0.5
80.05011	12.8
82.01442	20.1
82.99841	0.7
88.02679	0.8
93.53502	0.8
93.93004	0.6
96.04491	4.6
97.02869	1.4
100.02476	71.7
101.00871	24.4
101.02598	2.5
106.02899	2.3
111.02917	0.7
115.02428	0.7
118.03514	30.8
119.01912	100.0
123.04103	1.3
123.05541	48.6
123.09179	0.8
124.02470	1.1
124.03944	11.6
124.05871	0.7
124.07557	0.5
131.01874	1.6
137.02948	28.4
141.05028	0.7
142.03487	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.49217	0.9
51.98615	0.9
53.03933	2.5
55.01857	3.0
55.05514	16.9
57.07066	3.6
63.68686	1.1
65.03929	3.5
66.92572	0.9
67.05502	79.7
68.05828	2.6
69.03430	1.8
69.07050	1.8
71.45416	1.0
76.98992	0.9
77.03893	1.7
78.03452	1.2
79.05489	12.0
80.05015	19.1
80.06264	1.7
81.03418	1.7
81.07053	54.2
82.07374	1.4
85.73833	1.0
86.35958	1.0
91.05479	2.8
93.07043	16.2
95.04958	10.0
95.08602	100.0
96.04488	10.9
96.08126	2.1
96.08932	3.3
100.02474	3.4
101.00861	5.7
103.05434	1.3
105.04488	1.2
105.07031	8.5
106.07324	1.6
107.04973	1.9
108.05731	14.9
108.07631	1.6
112.03987	4.8
118.03521	2.0
119.01904	26.5
121.06480	2.2
123.04541	2.3
123.05550	60.0
123.08064	52.7
123.09126	3.2
123.09959	6.3
123.11703	21.2
124.03944	23.8
124.05885	2.1
124.07582	3.7
124.08417	1.6
125.24216	1.0
137.02942	11.0
140.03409	2.5
142.03513	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73851	0.2
70.53043	0.3
74.32756	0.2
82.01437	0.6
82.99838	4.0
83.01524	0.4
83.99894	0.4
95.02296	0.2
96.81417	0.2
98.23401	0.3
100.02496	1.0
101.00874	43.8
101.02556	1.3
102.00970	1.1
102.02254	0.4
111.00438	0.2
118.03508	0.3
119.01911	100.0
120.01981	3.4
120.03275	0.3
121.02340	0.4
124.02457	0.9
124.03923	0.2
137.02948	20.3
138.03027	0.6
142.03493	5.7
143.03654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69308	0.2
64.59391	0.2
68.52908	0.2
80.04992	0.3
80.21402	0.1
82.01447	0.4
82.99828	3.2
83.01496	0.4
84.01204	0.2
84.71687	0.2
100.02478	0.7
101.00877	35.9
101.02528	1.2
102.00932	1.2
102.02255	0.3
104.67951	0.2
111.00425	0.2
112.03918	0.2
115.08641	0.2
115.81143	0.2
118.03557	0.2
119.01914	100.0
120.01983	4.2
121.02349	0.5
124.02467	0.8
124.03922	1.0
124.05901	0.5
124.07571	0.2
137.02954	21.1
138.03064	0.9
142.03491	5.6
143.03642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30580	0.7
53.03940	2.1
55.01870	1.0
55.05510	9.8
55.85638	0.6
57.03431	7.7
57.07092	0.9
58.06595	2.5
59.04995	2.9
62.86847	0.7
65.03952	4.0
67.05501	100.0
68.05820	0.9
69.03427	3.2
69.07065	15.7
71.04984	8.3
72.76081	0.7
79.05489	2.2
81.03416	6.1
81.05392	0.8
81.07049	14.6
82.06597	4.0
83.08615	5.7
84.08136	17.3
85.06531	7.2
97.02908	1.2
99.04468	1.6
100.07633	2.3
107.08562	1.3
109.02884	5.8
109.06549	0.9
109.10152	37.4
110.06070	1.8
110.10518	1.4
127.03924	8.5
127.04967	1.3
127.07477	1.7
127.11192	3.4
127.12197	0.8
128.06212	1.9
128.07108	4.8
128.10719	1.3
128.16545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03948	5.6
55.05522	8.8
57.03423	2.2
58.06592	1.9
59.05006	1.7
65.03922	2.5
66.92611	1.6
67.05502	100.0
68.05839	2.1
69.03422	3.0
69.07066	20.6
69.56702	6.4
71.04981	8.0
79.05449	2.1
81.03418	5.1
81.07057	16.2
81.30973	1.8
82.06588	3.8
83.08609	7.4
84.08131	10.9
85.06532	4.4
92.75233	1.7
96.89011	1.8
97.02906	2.6
100.07591	1.6
107.08559	1.7
109.02869	4.4
109.10148	45.3
125.40028	1.5
127.03915	8.5
127.11173	3.5
128.06226	2.4
128.07066	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
50.32930	0.9
53.03949	2.0
53.06655	0.9
55.05500	4.0
57.03436	100.0
58.06590	3.1
67.05505	23.2
69.03420	4.5
69.07073	4.7
71.04976	4.0
74.06058	0.9
80.04948	0.9
81.03406	6.8
81.07067	4.7
82.06579	7.2
83.08620	2.9
84.08144	22.9
85.06529	2.0
86.09715	6.8
97.02892	2.6
100.07597	4.0
109.02883	5.8
109.04803	2.4
109.10152	12.3
110.06013	1.9
127.03910	12.7
127.04896	1.5
127.07389	1.7
127.11183	9.4
127.12163	1.9
128.06248	1.8
128.07068	7.5
128.10707	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
50.16264	1.6
51.36829	1.6
53.03944	3.7
55.01868	1.7
55.05515	8.9
57.03433	7.1
58.06592	3.3
59.04986	2.5
65.03932	1.8
67.05503	100.0
68.05829	2.4
69.03416	4.4
69.07066	18.4
70.06608	1.6
71.04983	10.0
71.05428	1.9
79.05487	1.7
81.03422	10.6
81.07055	18.2
82.06586	8.7
83.05003	1.9
83.08616	7.2
84.05089	1.6
84.08137	20.9
85.06552	4.9
86.09737	2.0
97.02900	2.7
100.07649	3.7
109.02856	9.1
109.04797	2.4
109.10150	37.1
110.06057	4.5
110.10504	1.9
114.31126	1.4
127.03929	14.8
127.04823	2.3
127.05882	2.3
127.07349	2.8
127.11199	6.7
127.12111	1.4
128.06235	3.3
128.07089	9.0
128.10690	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01873	0.5
55.05509	0.7
56.05043	0.8
56.96561	0.4
58.06605	11.8
67.05531	0.3
67.99894	0.2
68.05032	0.7
69.03428	2.4
70.06596	2.3
70.85187	0.2
71.04999	0.5
72.04543	0.2
72.08154	0.2
72.61579	0.2
79.05488	0.3
79.61745	0.2
81.03430	2.9
81.04552	0.3
81.07062	0.3
81.38196	0.2
82.03781	0.2
82.06591	2.4
83.06118	0.3
84.08149	100.0
85.02911	0.2
85.05164	0.4
85.07718	0.4
85.08472	1.9
86.00945	0.6
86.06075	0.7
97.02886	0.2
97.07661	0.7
98.09717	0.3
99.04486	0.5
100.02496	0.2
100.07619	3.1
101.00888	0.5
103.00632	1.0
104.00940	1.0
104.01969	0.9
109.02889	3.6
109.04805	0.3
109.07661	1.8
110.02325	0.2
110.06020	0.9
112.06363	0.5
118.03413	0.2
119.01938	3.0
121.00802	0.3
121.01672	5.5
122.01984	5.2
122.02875	0.3
123.02110	0.5
127.03920	4.6
127.05021	1.0
127.05832	0.2
127.07304	1.2
127.08683	6.5
127.09624	0.4
127.11436	0.4
127.12322	4.5
128.07106	1.9
128.08090	0.4
128.10735	0.5
137.02995	0.9
139.02725	2.0
140.00453	0.2
140.03001	1.8
141.03076	0.3
145.03627	0.4
146.03035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.2
55.93509	0.6
57.07077	2.8
67.05511	1.4
68.97132	0.5
69.03430	15.6
69.07066	100.0
69.58377	2.1
70.06599	2.1
70.07397	2.0
71.05005	1.2
82.06577	1.0
83.08610	0.7
84.04508	3.2
84.08135	11.1
86.09718	1.6
88.07646	0.5
90.97517	0.5
111.11712	1.0
112.07602	50.0
119.39927	0.5
128.06200	2.6
128.95171	0.6
129.07004	5.2
129.10217	1.3
130.05087	0.8
130.06528	8.9
130.08635	14.6
130.15936	2.0
136.10141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.51896	0.5
57.07074	54.3
69.03427	5.4
71.25951	1.0
72.08154	2.9
74.09714	37.5
75.10049	0.6
84.04495	0.9
84.08160	4.2
86.13342	0.6
89.78339	0.6
112.07605	16.3
130.06514	3.6
130.08626	5.3
130.15913	100.0
131.16255	3.9
142.39183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33695	1.2
53.03945	1.1
54.87708	1.1
55.33139	1.3
57.03417	1.7
59.71717	1.2
60.05641	2.9
70.03756	2.3
72.08145	11.7
77.03935	1.7
86.09692	4.0
91.05478	15.6
95.04956	6.6
102.04672	2.0
103.05466	100.0
104.05814	2.4
105.04537	1.8
113.07959	8.7
114.10310	1.8
115.05482	1.8
116.06223	4.1
129.07007	1.8
131.04936	17.7
131.05963	2.3
131.06952	1.5
131.08536	19.4
132.06557	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46292	0.3
51.40565	0.3
53.03957	0.7
56.05037	0.6
57.03438	1.3
60.05643	1.0
65.03938	0.5
69.03434	0.4
69.15854	2.5
70.03773	0.7
72.04516	0.4
72.08156	4.2
84.57972	0.3
85.08480	0.8
86.09703	2.9
91.05478	63.2
92.05816	1.5
95.04966	0.9
97.07637	0.4
98.23440	0.7
103.05466	11.9
104.05804	0.7
105.07022	0.9
113.07941	4.4
114.10290	0.9
115.05444	5.5
116.06236	19.4
117.06569	0.7
128.06252	0.6
129.06998	13.5
130.07367	0.4
131.04913	2.1
131.08562	100.0
132.06584	1.9
132.08894	4.0
133.06477	1.4
143.06058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
56.05032	0.7
57.03444	2.1
57.07075	0.7
58.02977	0.5
60.05645	4.2
68.05025	0.5
69.03423	0.9
70.03753	1.3
70.82068	0.5
70.82431	0.6
72.08154	11.2
73.06504	0.5
79.64672	0.4
85.04853	0.4
85.08467	0.9
86.06091	0.5
86.09709	4.7
91.05479	61.9
92.05807	2.5
97.07667	1.0
102.42516	0.4
103.05463	8.9
104.05829	0.6
105.07021	0.8
113.07233	1.0
113.07938	7.2
114.09081	0.5
114.10278	2.6
115.05450	5.3
116.06232	19.8
117.06573	1.1
128.06210	1.1
129.06094	0.8
129.07005	12.0
131.04900	1.4
131.08560	100.0
131.16284	2.3
132.06593	2.4
132.08049	1.0
132.08905	4.7
132.09879	0.7
133.06462	0.6
143.06088	0.9
148.79614	0.5
149.23827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06591	1.6
59.07370	0.7
65.71719	0.5
69.07058	1.3
72.08160	0.6
79.89335	0.5
86.09702	100.0
87.10025	1.3
132.10190	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
57.03450	2.1
60.04520	3.5
68.05030	5.7
69.03433	8.1
70.02945	6.6
70.06593	2.4
71.44367	0.8
74.02444	100.0
79.05482	4.3
80.05021	1.9
85.02917	1.5
87.05594	37.1
88.03993	13.4
89.58359	0.9
91.05481	7.5
92.70625	0.9
93.07018	1.9
94.82484	0.9
95.04910	0.9
96.97141	0.9
98.06059	10.6
103.05479	1.4
105.07031	33.3
106.07349	0.9
115.05467	1.8
116.03454	11.7
116.07078	5.9
118.07842	1.0
131.08569	2.5
133.06329	7.4
133.07596	2.3
133.10126	16.7
134.06061	1.0
134.07146	1.5
134.08118	12.1
145.92136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	0.8
55.05498	2.2
56.05037	0.5
60.04511	1.8
67.05490	0.9
68.05029	4.9
69.03431	3.9
70.06585	0.9
74.02433	1.2
77.03915	0.8
79.05497	4.5
80.05015	1.6
86.09689	0.4
88.02197	0.5
91.05478	16.7
93.07048	4.4
95.04942	1.9
98.06061	5.8
98.23534	1.0
103.05435	3.1
105.07026	50.9
106.07352	1.5
107.08594	1.5
115.05450	5.7
116.06306	1.0
116.07065	4.6
117.07016	5.3
118.04183	0.5
118.07789	6.9
129.06967	0.6
131.08551	6.5
131.41884	0.5
133.02899	0.6
133.06508	2.0
133.07596	1.7
133.10123	100.0
134.05981	0.9
134.08119	7.8
134.09602	0.6
134.10440	2.6
147.12706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	0.5
55.05512	4.9
60.04520	1.1
63.30762	0.5
67.05505	1.2
68.05031	3.3
69.03435	2.9
69.24696	3.2
74.02407	1.1
75.70608	0.5
77.03918	1.2
79.05495	7.9
80.05009	1.2
91.05477	27.7
92.05775	0.7
93.07039	7.8
95.04964	2.0
98.06052	3.7
98.22608	0.9
103.05470	3.6
104.06192	0.6
104.39869	0.4
105.07025	91.4
106.06683	0.5
106.07365	3.0
107.08601	1.6
115.05451	4.6
116.06268	1.1
116.07098	2.9
117.07027	6.9
118.07795	7.5
129.07008	0.6
131.07658	0.8
131.08572	11.1
133.06505	1.6
133.10126	100.0
134.08093	4.8
134.10487	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03951	0.4
53.98418	0.3
55.05509	1.8
65.16184	0.3
67.05507	0.6
68.05031	0.4
70.73343	0.6
77.03928	0.6
79.05504	4.1
91.05484	13.4
92.05846	0.4
93.07055	3.9
95.04972	1.6
98.06053	0.5
103.05476	1.9
105.07039	40.1
106.07349	0.8
107.08596	1.2
115.05469	5.1
116.06260	0.9
117.07033	5.3
118.07816	6.1
122.58794	0.3
129.06996	0.5
131.08582	4.7
133.10136	100.0
134.07173	0.4
134.08122	0.7
134.10472	3.8
152.15160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
51.37754	0.4
53.03927	0.7
55.05511	2.3
60.04510	0.8
65.03936	0.5
68.05015	1.5
69.03415	1.3
69.72707	0.3
70.75233	0.7
74.89539	0.3
77.03907	0.8
79.05482	4.4
80.05013	0.4
80.05830	0.5
90.47635	0.4
91.05477	14.6
92.06270	0.4
93.07036	4.3
95.04974	1.0
98.06056	2.2
100.76271	0.4
103.05482	2.4
103.06087	0.4
105.07027	45.3
106.07347	0.6
107.08643	0.9
109.01075	0.3
115.05451	4.9
116.06234	1.3
116.07096	1.3
117.07017	4.8
118.07805	5.5
131.08559	5.9
133.06564	1.0
133.10124	100.0
134.06053	0.3
134.08099	2.5
134.10446	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0813
Annotation	1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
54.05607	0.9
56.05026	5.8
57.03422	3.8
58.06591	1.3
59.07367	1.4
60.04522	29.9
60.08133	0.8
68.05026	60.9
69.03426	54.5
69.03738	0.6
69.05346	1.2
70.06581	7.7
70.71266	1.3
72.04498	1.2
72.08132	1.3
74.02422	1.2
74.06065	2.8
75.58308	0.9
80.05013	16.8
86.06082	1.1
94.88436	0.8
98.06049	73.0
99.06370	0.9
102.09177	26.6
116.07085	51.0
117.07412	1.2
134.08122	100.0
134.11739	12.0
135.08459	1.7
142.03481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96577	0.3
56.05034	4.4
57.03434	2.0
60.04526	21.3
62.29057	0.3
67.62880	0.4
68.05029	58.9
69.03429	54.7
69.05356	1.1
69.72719	0.8
70.03741	0.6
70.06589	7.7
71.04980	0.8
71.50276	0.4
72.04519	1.3
74.02448	3.6
80.05017	19.3
81.03368	0.5
86.06055	1.0
87.32166	0.4
88.03997	1.4
98.06053	73.0
99.06382	1.6
116.07092	46.1
117.07442	0.7
120.61169	0.4
134.08124	100.0
135.08495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
53.03951	4.1
57.16562	0.6
65.03928	0.7
67.05490	1.6
69.16578	3.9
76.88056	0.6
77.03928	10.1
79.05046	1.0
79.05490	16.8
91.05470	0.6
93.07045	1.0
95.04970	15.0
98.22656	1.1
105.03403	10.6
105.04494	6.0
107.04967	1.0
107.08607	0.6
135.04413	100.0
136.02148	5.1
136.04765	2.5
136.06178	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
51.02380	2.0
53.03952	3.3
67.05478	0.7
69.22515	3.1
77.03931	11.1
79.05499	15.2
95.04972	13.2
98.22726	1.3
102.72547	0.5
105.03403	11.6
105.04509	5.9
106.03711	0.7
107.04942	0.7
127.86926	0.5
135.04422	100.0
136.02168	2.0
136.04758	1.7
136.06213	2.2
136.07465	0.6
138.74786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02381	2.4
53.03941	2.9
59.91169	0.9
67.05516	1.3
67.39316	0.7
69.88522	2.9
77.03927	7.3
79.05499	17.5
80.05798	0.9
91.05482	2.1
93.07059	1.4
95.04968	12.5
98.22979	2.1
105.03404	10.5
105.04502	7.3
107.04956	1.3
107.08582	1.8
135.04425	100.0
135.11688	1.2
136.02177	9.3
136.04713	2.2
136.06187	11.1
139.75342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02375	2.3
53.03955	3.4
55.01883	0.7
65.03930	0.5
65.90279	0.5
67.05507	1.1
69.28189	3.1
77.03928	10.2
79.05045	0.8
79.05499	16.6
89.20530	0.6
93.07012	0.6
95.04971	15.0
105.03410	11.5
105.04503	6.9
107.04988	0.9
110.34266	0.5
118.06544	0.8
135.04419	100.0
136.02171	3.4
136.04774	2.9
136.06187	3.9
137.64253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	1.9
55.05514	10.4
65.03933	2.4
67.05167	3.8
67.05504	47.8
69.07059	9.4
69.50223	3.3
69.50602	3.2
77.03910	2.8
79.05045	3.7
79.05489	64.4
79.05948	3.5
80.05844	2.7
81.06614	2.9
81.07052	28.9
91.05469	15.2
93.07041	100.0
94.07374	3.2
95.04949	6.3
105.04489	3.1
105.07031	3.3
107.08586	54.5
108.08886	2.2
135.08064	7.2
135.11682	77.8
136.02141	11.7
136.06163	17.7
136.12029	4.8
147.36618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05509	12.2
57.07077	1.6
65.03929	1.0
67.05496	3.1
69.05383	1.2
69.07062	3.9
77.03929	2.0
79.05491	20.2
81.07066	5.6
87.35226	0.9
91.05476	38.7
92.05799	2.1
93.07041	69.7
94.07375	2.7
94.07899	1.1
95.04951	8.1
95.08591	1.1
103.05439	1.5
104.05042	1.0
105.04488	4.8
105.07024	17.3
107.04939	2.2
107.08591	100.0
108.08228	0.9
108.08933	4.7
109.01110	1.7
109.06506	5.7
115.05455	1.6
117.06994	2.5
117.71388	0.9
119.03552	1.5
119.06081	4.3
119.08569	5.8
120.09368	3.0
127.79391	1.4
133.10178	1.2
135.04454	1.9
135.05501	1.7
135.08032	5.7
135.11691	53.6
136.02161	24.9
136.06189	27.4
136.07544	5.3
136.12041	2.5
137.04634	1.2
137.09595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.54598	0.7
53.03941	1.3
55.05508	7.1
57.07071	1.1
60.39064	0.9
62.26669	0.7
65.03942	1.7
67.05504	2.5
69.07054	2.3
69.18552	4.2
77.03918	2.4
78.75187	0.8
79.05494	18.4
80.05808	0.8
81.07040	2.7
87.11660	0.7
91.05476	51.0
92.05811	2.4
93.07042	45.1
95.04975	7.1
95.08619	0.7
98.23468	1.1
103.05453	1.5
104.06227	1.2
105.04544	4.2
105.07021	25.7
107.04956	2.5
107.08588	100.0
108.08923	3.9
109.01103	1.1
109.06509	7.9
115.05412	1.3
117.07034	2.4
119.03571	1.9
119.06064	6.4
119.08577	18.4
120.09421	4.7
126.30036	0.9
133.10136	1.1
135.04408	3.4
135.05498	1.6
135.08043	5.2
135.11682	39.6
136.01155	1.7
136.02155	22.7
136.06181	18.1
136.07564	6.4
136.12003	1.1
136.56555	0.9
137.09624	1.3
142.44586	0.8
147.09229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03940	1.5
55.05512	7.8
57.07092	1.1
65.03937	0.9
67.05508	2.4
69.05373	0.7
69.07065	3.4
69.16924	1.6
69.17329	1.1
77.03934	1.9
79.05041	0.9
79.05492	16.3
80.05825	0.5
81.07055	3.2
81.93484	0.4
91.05482	27.2
92.05814	1.2
93.05791	1.8
93.07045	52.7
94.07370	1.6
94.07867	0.8
95.04968	5.5
95.08633	0.7
98.22636	1.0
99.06348	0.6
100.31567	0.5
105.04530	2.5
105.07028	13.0
107.04962	1.5
107.08593	100.0
108.08191	0.8
108.08897	3.7
109.01131	0.7
109.06509	4.6
115.67738	0.4
117.07007	1.4
119.03564	0.8
119.06100	3.5
119.08569	5.5
120.09357	1.8
133.10130	0.7
135.04448	0.9
135.05510	0.4
135.08165	2.1
135.11691	22.2
136.02164	15.2
136.03859	0.7
136.05112	0.7
136.06181	12.5
136.07570	8.6
136.08485	0.8
136.12086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.89702	1.6
53.03935	1.8
55.05507	6.2
57.07069	2.3
64.87798	1.4
65.03915	1.9
67.05506	2.6
69.07064	2.2
70.51794	2.7
76.77981	1.4
77.03923	4.8
79.05497	20.7
81.07070	4.3
91.04938	3.3
91.05482	43.3
91.06062	2.4
92.12818	1.4
93.05782	19.6
93.06412	2.2
93.07040	40.3
94.07359	1.9
95.04951	10.0
98.23430	2.2
102.66941	1.5
104.04977	2.1
105.03404	1.9
105.04507	3.1
105.07021	17.6
107.08591	94.9
108.08941	3.4
109.06492	10.9
115.05463	4.1
117.07042	5.4
119.06072	3.5
119.08587	15.2
120.09354	7.7
121.05242	2.6
135.04428	13.5
135.08075	10.9
135.10774	2.3
135.11690	47.2
136.02161	20.4
136.06215	15.2
136.07584	100.0
136.12070	2.8
138.44067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	3.8
55.05509	10.6
57.07073	1.3
60.42724	0.9
65.03944	1.4
67.05499	3.1
69.07069	4.1
70.65035	1.6
71.96402	1.0
77.03935	2.4
79.05496	27.8
79.64337	0.9
80.07889	1.1
81.07057	5.2
91.05485	36.0
91.06062	1.9
93.07050	60.8
94.07353	1.7
95.04966	7.7
99.06419	1.4
105.04534	4.8
105.07030	14.4
107.04977	2.1
107.08599	100.0
108.08279	1.1
108.08942	4.3
109.01094	1.6
109.06525	6.3
115.05485	1.1
119.03563	1.9
119.06112	4.9
119.08614	9.4
120.09373	2.2
135.04431	3.3
135.08038	2.7
135.11691	30.8
136.02176	26.6
136.03848	1.0
136.06203	33.3
136.07568	7.0
136.12050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03931	2.6
55.01852	1.4
55.05500	9.4
58.44938	1.8
58.48436	1.4
64.48876	1.3
65.03935	2.6
65.81503	1.5
67.05495	5.0
69.05338	2.0
69.07074	2.2
69.17982	6.3
69.18377	2.5
77.03938	1.9
79.05491	25.6
81.07054	4.7
91.04945	2.3
91.05482	35.8
91.40518	1.5
93.07043	54.9
94.04033	2.2
94.07861	1.9
95.04966	9.9
98.23442	3.2
105.04497	5.1
105.07018	14.5
107.04948	3.9
107.08592	100.0
108.08917	2.1
109.01111	3.9
109.06503	4.9
115.05440	1.6
119.03548	4.7
119.06066	6.3
119.08544	7.3
120.09332	1.8
135.04398	17.3
135.05515	4.2
135.06567	3.0
135.08122	7.7
135.09204	1.6
135.11688	30.3
136.02159	94.7
136.06171	76.7
136.07539	13.3
137.04561	2.0
145.99889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02374	2.1
53.03946	4.4
53.79694	1.6
55.05505	14.8
62.97958	1.7
67.05508	24.5
69.07058	7.0
69.59474	7.1
77.03922	4.5
79.05492	70.1
80.05837	1.8
81.07061	28.7
82.83875	1.9
83.25087	2.0
84.37565	1.6
91.05485	24.9
93.07045	100.0
95.04974	12.0
98.22784	1.8
105.03411	2.4
105.04505	6.1
105.07038	8.9
107.04917	4.2
107.08591	69.6
108.08055	2.0
108.08939	3.0
109.01131	3.8
109.06494	2.3
119.06059	2.4
119.08591	4.6
135.04419	16.0
135.05424	3.6
135.08075	7.5
135.11691	75.3
136.02167	49.5
136.06177	49.2
136.07533	14.5
136.08470	2.7
136.12024	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0621
Annotation	Adenine
Peak:m/z	Relative Intensity
50.63858	0.1
67.02992	0.2
68.97800	0.2
70.69292	0.2
72.88589	0.1
73.02286	0.2
77.99081	0.1
78.45190	0.1
92.02525	0.2
94.04055	2.7
108.06178	0.2
109.05135	0.5
112.05071	0.2
119.02695	0.4
119.03560	7.8
136.06192	100.0
137.04602	4.4
137.06650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	Acetanilide
Peak:m/z	Relative Intensity
54.20958	0.3
65.03931	0.4
67.05481	0.6
69.77336	1.1
76.01876	0.4
77.03956	0.4
79.05479	2.8
80.05013	0.9
81.07057	1.2
91.05487	4.3
93.05785	19.9
94.04082	2.6
94.06584	0.4
95.04970	1.8
104.04991	2.3
105.04503	0.4
106.06565	0.8
107.04973	0.5
108.08128	1.1
109.01129	2.0
109.05142	0.3
109.06519	5.9
117.05803	0.5
118.06574	0.4
119.03551	4.7
121.05244	4.5
122.03661	1.2
136.02162	39.8
136.06192	67.3
136.07568	100.0
137.02472	1.8
137.04617	2.8
137.05998	2.3
137.07912	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	Acetanilide
Peak:m/z	Relative Intensity
51.02382	0.3
53.03938	0.4
55.05495	0.2
56.05033	0.2
57.94524	0.1
62.04752	0.1
65.03929	0.4
66.04716	0.7
67.05502	2.7
69.03418	0.2
69.07073	0.2
76.07393	0.1
77.03921	0.5
79.05482	2.2
79.44568	0.2
80.05019	0.5
80.05828	0.4
81.03387	0.2
81.07053	2.5
89.62047	0.2
91.05473	4.0
92.05010	0.2
92.05814	0.5
93.05783	21.2
93.07037	0.6
94.04183	2.2
94.06117	0.6
94.06632	0.2
94.07349	0.3
95.04967	1.8
95.08604	0.9
104.04980	2.1
105.04525	0.7
106.06574	0.3
107.04940	1.7
107.07354	0.2
108.04491	0.2
108.08118	1.2
108.08919	0.5
109.01103	0.6
109.06519	6.2
109.10150	3.4
115.92964	0.1
117.05755	0.6
117.07095	0.1
118.06509	0.4
118.07310	0.2
119.03554	0.6
119.04924	0.2
119.08581	1.5
121.04361	0.2
121.05238	3.8
121.06491	0.8
122.03648	2.7
122.07281	8.5
135.08089	0.3
136.02165	11.2
136.06241	7.4
136.07568	100.0
137.02484	0.5
137.04726	0.3
137.05971	7.3
137.07996	3.0
137.09602	10.8
151.61761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	ACETANILIDE
Peak:m/z	Relative Intensity
51.02375	0.2
53.03938	0.5
56.05025	0.2
65.03938	0.5
66.04700	0.5
67.05489	0.2
68.05006	0.2
69.51776	0.5
69.52189	0.3
76.41850	0.2
77.03897	0.3
79.05483	1.5
80.05017	0.2
81.07048	1.4
85.40185	0.2
91.05472	2.9
93.05778	21.8
94.04144	0.5
94.06088	0.3
95.04973	0.9
98.23386	0.3
104.04986	2.4
105.04501	0.5
106.06538	0.2
108.08115	0.8
109.01094	0.4
109.06511	5.7
117.05772	0.6
119.03522	0.5
121.05243	4.3
122.03627	0.4
136.02161	7.1
136.06230	6.6
136.07562	100.0
137.02513	0.3
137.04575	0.6
137.05923	0.9
137.07095	0.2
137.07928	2.9
138.09090	0.2
152.06284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	Acetanilide
Peak:m/z	Relative Intensity
53.03941	0.4
55.01877	0.4
58.02963	5.5
65.03938	0.8
66.04710	0.5
67.05498	0.9
69.67696	1.3
77.03950	0.4
79.05482	3.1
80.05006	0.4
81.07057	2.0
91.04942	0.6
91.05480	7.9
91.83315	0.4
93.05785	21.0
94.04170	3.3
94.07354	0.5
95.04958	1.4
95.08620	0.4
98.22807	0.6
104.04995	2.1
105.04508	0.6
106.06518	1.1
108.08113	1.2
108.08832	0.5
109.01124	1.2
109.06514	5.1
117.05743	0.9
118.06544	3.1
119.03512	1.2
119.04960	1.0
119.07330	7.3
121.05235	4.1
122.03656	5.4
122.07259	0.5
136.02165	15.3
136.06204	13.3
136.07570	100.0
137.02448	0.8
137.04486	0.7
137.04681	0.6
137.05966	11.5
137.07922	2.9
137.09624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	ACETANILIDE
Peak:m/z	Relative Intensity
53.03926	0.3
55.95188	0.2
60.27739	0.2
62.33639	0.2
66.04705	0.3
67.05507	0.4
67.54035	0.2
69.55278	0.9
77.03883	0.2
77.82182	0.2
79.05499	2.0
79.96599	0.2
81.07050	1.3
91.05480	2.8
92.04984	0.3
93.05788	20.8
94.04176	0.5
94.06115	0.5
95.04961	1.3
98.23400	0.4
104.04993	2.2
105.04520	0.4
106.06553	1.4
108.05788	0.3
108.08112	0.9
108.08895	0.4
109.06525	5.3
117.05755	0.5
121.04447	0.4
121.05251	4.5
122.03663	0.3
124.07640	0.2
136.02203	1.9
136.07576	100.0
137.05992	0.7
137.07930	2.4
154.23723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93301	0.2
56.96560	0.8
58.06601	8.3
59.07381	2.9
65.03930	0.5
67.05492	0.5
68.05035	0.3
70.06586	0.8
70.20999	0.6
72.96046	0.3
74.09719	0.8
78.03423	0.3
92.05008	4.2
92.42314	0.2
93.05775	0.5
94.03202	0.4
94.06568	13.7
94.93044	0.3
96.04482	1.8
97.96784	0.4
98.22628	0.2
98.97567	0.6
110.06046	9.4
115.97874	0.4
116.98625	0.3
125.30973	0.2
133.03511	0.4
137.05966	1.5
138.05501	100.0
146.06512	4.2
146.56651	0.3
154.04994	0.6
155.07074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.5
53.03951	0.5
55.01871	0.6
60.40053	0.3
62.88163	0.3
64.86984	0.3
65.03938	1.0
66.04729	2.6
66.05038	0.5
69.96362	0.4
69.96685	0.6
77.03928	0.9
79.05506	3.4
81.07053	1.6
91.05484	2.7
94.04193	23.1
95.04461	0.5
95.04996	0.7
98.23220	0.7
105.03404	0.5
107.04974	1.6
122.03654	44.7
123.03974	1.1
135.04425	0.6
137.05986	100.0
138.06322	2.5
151.77026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.4
53.03952	0.4
54.73195	0.2
55.01861	0.3
62.83671	0.2
65.03938	0.7
66.04725	3.0
67.05497	1.6
67.98591	0.2
69.03424	0.3
69.24377	0.8
74.36118	0.2
77.03924	0.8
79.05490	3.3
81.07056	2.5
83.15545	0.3
91.05471	3.2
94.04184	26.5
95.04459	0.3
95.04974	1.3
95.08603	1.0
105.03398	0.6
105.04515	0.6
105.18199	0.2
107.04963	1.5
109.06516	1.0
109.10153	0.7
110.06022	0.5
119.08566	0.4
121.06505	0.3
122.03643	47.1
122.07256	1.4
123.03970	1.1
130.49602	0.3
135.04416	0.4
137.05969	100.0
137.09520	2.5
138.05450	1.3
138.06326	2.8
145.57269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.02697	0.4
51.02387	0.4
53.03931	0.8
55.01865	0.6
55.05502	0.5
57.07059	1.1
65.03928	1.2
66.04723	3.7
67.05497	5.1
67.20851	0.3
69.03422	0.4
69.07049	1.1
75.00558	0.4
77.03901	0.8
79.05486	4.1
81.07053	9.9
89.45482	0.4
91.05467	5.3
93.07018	1.5
94.04183	27.3
95.04961	1.7
95.08601	12.8
96.04480	0.6
98.23534	0.8
105.04515	1.2
107.04957	2.3
109.06538	1.0
109.10136	3.2
110.06028	0.6
119.08556	1.1
121.06475	0.7
122.03640	48.9
122.07275	5.9
123.03948	1.3
123.85989	0.4
135.08051	0.4
137.02583	2.2
137.05966	100.0
137.09590	10.1
137.13237	1.1
138.01762	0.9
138.05435	4.7
138.06432	2.2
144.63577	0.4
148.69310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.58786	0.4
53.03936	0.7
55.05499	1.8
57.07073	0.6
57.88753	0.4
65.03941	0.9
67.05504	21.7
69.03439	1.2
69.07057	1.0
71.46680	0.7
77.03946	0.9
79.05496	3.3
80.08203	0.4
81.07054	7.5
91.05479	9.9
91.55797	0.4
93.05804	1.1
93.07037	3.3
94.04186	4.2
94.06113	3.0
94.07819	0.7
95.04963	2.7
95.08604	9.9
102.31217	0.5
103.05455	1.1
104.06247	0.6
105.04527	1.3
107.04954	12.9
107.05676	0.7
107.08600	1.3
109.06513	1.2
109.10156	32.9
110.06863	0.7
110.10487	0.8
115.05410	0.5
117.07026	1.6
119.08575	15.7
121.06490	5.6
121.07309	0.5
122.03660	7.9
122.07285	78.2
123.07616	1.5
130.55649	0.5
135.08060	3.5
137.02504	0.7
137.05994	14.0
137.08017	19.3
137.09605	100.0
138.05463	1.7
138.09946	2.6
142.70099	0.4
151.15315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03938	1.1
55.05510	6.9
57.07073	11.5
60.82120	1.0
65.03937	1.7
66.04707	2.0
67.05502	65.7
67.19958	0.9
69.03409	1.2
69.07072	5.6
69.65545	2.4
69.65928	2.1
79.05487	6.9
81.07051	34.1
91.05482	16.1
93.07039	7.2
94.04191	7.5
95.04963	4.9
95.08604	59.5
96.04486	10.3
105.04537	1.4
105.24895	1.0
107.04958	13.3
107.08582	4.4
109.06490	6.2
109.10152	61.9
110.06030	2.8
110.10499	1.3
117.07066	1.1
119.04935	1.1
119.08573	10.9
120.04398	1.5
121.06490	5.5
121.16450	0.9
122.03654	13.4
122.07282	60.9
123.07639	2.4
124.03909	6.8
135.08040	1.8
137.02490	6.4
137.05934	26.3
137.09610	100.0
137.13235	13.7
138.01781	1.7
138.05499	14.9
138.09979	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03945	1.3
55.01869	1.2
55.05505	3.6
57.07074	13.4
59.44804	1.3
65.03936	2.9
66.04719	2.2
67.05499	27.3
69.07065	8.4
69.33816	5.5
79.05482	11.7
81.07052	83.8
82.07363	1.5
82.31556	1.5
86.91024	1.3
91.05488	6.0
93.07037	7.3
94.04189	10.6
95.04950	4.8
95.06106	1.7
95.08601	100.0
96.04492	1.9
96.08923	1.5
98.22689	3.2
109.06471	3.6
109.10168	10.5
110.06048	3.9
119.08595	2.5
120.04482	2.1
122.03638	22.4
122.07328	1.6
136.04730	3.0
137.02522	9.0
137.05922	42.7
137.07976	2.2
137.09616	9.7
137.10608	2.7
137.13242	17.5
138.01759	3.6
138.05496	19.4
138.06448	2.6
138.09131	2.1
149.48915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.78304	0.2
54.95382	0.2
65.03928	0.5
67.05492	0.6
67.38442	0.2
67.93456	0.2
70.66434	0.2
78.03434	0.4
88.99049	0.2
90.96881	0.2
92.04443	0.4
92.05001	5.3
93.05801	0.8
94.06562	14.6
95.06891	0.2
96.04486	1.9
110.06037	8.6
111.06341	0.2
133.03456	0.3
134.34390	0.2
136.03931	0.4
138.05495	100.0
139.05836	2.3
139.08705	0.4
146.33701	0.2
154.04959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03938	0.4
53.78304	0.2
54.95382	0.2
65.03928	0.5
67.05492	0.6
67.38442	0.2
67.93456	0.2
70.66434	0.2
78.03434	0.4
88.99049	0.2
90.96881	0.2
92.04443	0.4
92.05001	5.3
93.05801	0.8
94.06562	14.6
95.06891	0.2
96.04486	1.9
110.06037	8.6
111.06341	0.2
133.03456	0.3
134.34390	0.2
136.03931	0.4
138.05495	100.0
139.05836	2.3
139.08705	0.4
146.33701	0.2
154.04959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03941	0.2
55.50774	0.2
59.01366	0.2
67.05498	0.5
68.05009	0.4
69.66284	0.3
69.66652	0.4
72.04640	0.2
78.03451	5.2
79.04223	1.6
80.05024	0.5
82.06572	0.2
84.36782	0.2
92.04994	0.2
93.05810	0.3
94.06577	0.6
96.04492	11.4
106.02887	0.3
108.04474	3.3
109.05268	0.4
110.06039	0.5
124.03950	2.6
124.26453	0.2
136.03931	0.3
138.05498	100.0
139.05852	2.5
154.05029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.7
69.64577	3.3
69.64912	1.0
74.09716	84.2
75.10033	0.9
80.99527	1.7
81.05560	1.7
92.40523	0.9
96.07878	6.1
98.97581	3.0
114.08918	12.3
116.98611	1.9
140.06821	100.0
140.51535	0.9
141.07118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33654	3.4
58.93314	2.7
62.56572	3.2
63.49957	3.0
70.23837	2.9
70.67830	5.8
74.73706	2.5
75.23450	2.9
76.75391	3.4
100.02486	4.8
101.00878	45.9
106.09616	2.8
118.03507	7.9
119.01093	5.8
119.01923	100.0
120.01961	4.7
124.02431	4.5
136.04521	5.2
137.02988	16.6
137.03928	3.0
142.03496	41.3
152.99519	2.9
160.04565	11.4
161.17276	2.7
161.67236	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47047	3.2
67.85252	2.7
69.73459	2.8
70.53948	6.3
73.46635	2.7
76.49463	3.0
82.99841	4.1
100.02501	5.1
101.00897	49.0
118.03529	13.4
119.01923	100.0
124.02454	5.3
136.04578	8.5
137.02971	16.5
141.21266	2.9
142.03522	45.1
143.03653	3.0
160.04556	16.8
163.45111	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89322	3.6
69.89661	4.2
82.99850	4.9
100.02493	5.0
101.00878	44.5
118.03526	11.1
119.01912	100.0
124.02463	2.8
124.16058	2.4
136.04553	5.0
137.02969	18.7
142.03490	40.8
160.04539	18.8
164.28506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05519	16.7
57.07073	16.0
59.04995	3.6
67.05507	8.0
67.29328	2.3
69.03433	9.0
69.07071	4.9
69.33369	12.0
71.05000	100.0
73.06556	13.7
79.05489	6.2
79.60006	2.4
81.07039	5.0
83.04989	12.2
83.08640	12.9
84.04538	2.4
85.06554	48.2
91.05468	3.2
95.15933	2.3
97.10171	18.1
98.06059	4.8
102.96878	10.3
107.08604	43.2
115.05471	3.2
120.97916	10.5
125.02326	2.2
125.05830	2.6
125.07098	2.9
125.09647	30.3
128.06230	14.6
136.11061	2.2
136.92592	2.1
138.98973	5.1
139.01826	3.9
143.03421	4.2
143.08556	5.7
143.10681	8.3
144.06589	2.7
144.08096	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.99354	2.3
55.05518	18.1
56.05038	2.7
57.07069	13.2
59.04987	4.6
60.95858	3.0
67.05504	8.3
69.03439	8.0
69.07047	3.6
70.06594	3.8
71.04997	100.0
73.02876	2.6
73.06556	14.8
79.05512	4.8
81.07055	5.6
83.04987	10.7
83.08619	10.1
85.06549	50.4
97.10190	18.6
98.06066	6.0
100.36386	2.5
102.96867	10.5
104.62247	2.6
107.08601	47.2
120.97904	9.8
125.09637	31.7
128.06241	14.9
138.98918	7.1
139.01796	4.0
143.08336	6.2
143.10686	14.2
144.06590	4.4
144.08031	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.93538	1.7
55.05510	21.9
57.07079	17.2
59.05003	3.7
59.67429	1.6
60.95874	2.1
65.03913	2.0
67.05513	6.9
69.03438	6.2
69.07066	1.7
71.04990	100.0
73.06538	15.3
79.05502	4.2
81.07076	6.6
83.04978	10.3
83.08614	12.1
85.06546	49.8
91.05508	2.1
97.10178	21.0
102.96879	8.5
107.08588	35.3
107.09253	2.5
120.97928	3.9
121.45580	1.9
125.09617	33.2
128.06265	5.7
138.99039	3.0
143.08423	2.6
143.10675	11.1
144.06654	2.3
144.08028	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05513	19.4
57.07076	15.4
57.97604	1.7
59.05004	6.0
60.95855	2.9
67.05520	9.6
69.03437	8.2
69.07072	4.4
70.06608	2.1
70.57078	2.1
71.04999	100.0
73.06557	13.3
75.52466	1.6
78.29053	1.7
79.05501	4.1
81.07071	4.6
83.04977	11.4
83.08626	9.6
85.06548	48.5
91.05483	2.8
97.10165	15.8
98.06074	4.1
102.96901	9.0
105.07021	2.9
107.08595	34.9
115.05472	1.8
120.97937	8.5
125.07162	2.9
125.09644	29.6
128.06233	11.1
138.98936	4.1
140.93306	1.7
143.08624	8.9
143.10677	10.8
144.06592	2.3
144.08192	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01835	1.8
55.05507	2.5
56.05045	2.1
60.95852	15.5
60.98713	2.7
70.06596	12.9
70.47984	3.2
73.02906	2.3
78.99756	4.1
80.04990	1.9
81.03414	3.4
84.04499	5.1
84.08144	2.3
84.96045	1.8
85.02901	3.5
88.07620	2.1
97.00815	8.3
98.06048	28.4
98.09665	2.5
98.97569	4.3
99.04453	1.9
102.00931	11.7
102.02238	4.0
102.96869	38.8
103.00633	23.7
113.02968	2.1
116.77103	2.1
116.98555	2.0
117.78693	1.8
119.01923	14.2
120.02022	62.5
120.03256	14.3
120.97904	31.1
120.98757	3.4
121.00790	10.8
121.01644	100.0
121.96622	3.5
126.02172	1.9
126.05509	5.0
134.99657	2.7
137.02959	7.6
138.03064	26.9
138.04280	8.5
138.98932	22.7
139.01782	28.2
139.02708	42.4
144.03226	36.5
144.04510	2.5
144.05588	3.6
144.06496	11.3
144.08055	5.8
144.10220	5.8
144.13802	2.1
156.99953	4.1
162.04298	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
55.05516	0.4
55.95473	0.2
56.05052	0.2
57.03437	0.3
57.04565	0.2
57.07067	0.4
58.06601	9.5
60.08162	1.1
66.89671	0.2
67.05505	0.8
69.03423	0.6
69.07081	0.2
70.06586	1.5
71.04987	0.6
71.44616	0.2
72.08162	1.3
74.06075	0.2
74.07229	0.2
79.98960	0.2
81.07032	0.2
82.06589	0.2
83.04947	0.2
83.46381	0.2
84.04498	0.3
84.08141	9.8
85.02897	0.9
85.06544	1.9
86.06059	0.5
86.09710	2.8
90.76415	0.2
91.95612	0.2
92.86201	0.2
97.02869	0.1
98.06083	0.4
98.09695	6.5
99.04455	0.7
100.02480	0.3
101.00870	0.2
102.00982	0.4
102.05535	1.4
102.09189	0.2
102.96832	0.3
103.00632	0.4
104.10757	0.3
109.06496	0.2
119.01940	0.8
120.01979	0.8
120.97820	0.2
121.01649	1.1
126.09162	0.4
144.10199	100.0
144.13811	1.5
145.10535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
55.95473	0.2
56.05052	0.2
57.03437	0.3
57.04565	0.2
57.07067	0.4
58.06601	9.5
60.08162	1.1
66.89671	0.2
67.05505	0.8
69.03423	0.6
69.07081	0.2
70.06586	1.5
71.04987	0.6
71.44616	0.2
72.08162	1.3
74.06075	0.2
74.07229	0.2
79.98960	0.2
81.07032	0.2
82.06589	0.2
83.04947	0.2
83.46381	0.2
84.04498	0.3
84.08141	9.8
85.02897	0.9
85.06544	1.9
86.06059	0.5
86.09710	2.8
90.76415	0.2
91.95612	0.2
92.86201	0.2
97.02869	0.1
98.06083	0.4
98.09695	6.5
99.04455	0.7
100.02480	0.3
101.00870	0.2
102.00982	0.4
102.05535	1.4
102.09189	0.2
102.96832	0.3
103.00632	0.4
104.10757	0.3
109.06496	0.2
119.01940	0.8
120.01979	0.8
120.97820	0.2
121.01649	1.1
126.09162	0.4
144.10199	100.0
144.13811	1.5
145.10535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.1
59.00302	0.8
62.92989	10.1
67.05500	1.9
68.46622	0.9
72.08147	2.4
77.37511	0.9
79.05490	1.8
82.06594	1.0
85.02880	1.3
86.06042	2.3
86.09699	3.5
91.05484	16.8
98.23047	1.1
100.07615	3.0
103.05469	2.5
105.07031	41.3
105.07739	2.1
106.07345	1.0
111.04373	1.0
115.05461	12.1
116.06242	8.0
117.07019	72.4
118.07355	1.5
121.96645	20.2
128.06212	4.2
129.06998	8.3
130.07787	34.2
143.08556	7.3
144.98228	1.7
145.06502	2.3
145.07646	3.5
145.10124	100.0
146.06018	1.5
146.08121	7.3
146.10445	3.0
155.06052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.05513	1.0
56.96564	0.6
57.03424	1.8
57.04558	8.5
58.06591	1.4
59.04995	0.5
59.07379	0.5
60.05642	1.4
60.08162	16.9
62.92975	0.4
64.77895	0.3
67.05497	0.5
69.03426	4.0
69.07065	10.7
69.07446	0.6
69.81798	1.0
70.06590	1.0
71.04994	0.7
71.06916	0.8
72.04494	0.4
72.05328	0.4
72.08152	100.0
73.02914	0.5
73.08490	0.9
74.06070	0.9
74.07200	31.4
81.03410	0.7
82.06589	0.8
83.04971	0.5
84.08151	1.1
85.02900	6.6
86.06064	8.3
86.06872	0.4
86.09702	34.6
87.04464	11.3
87.08104	1.0
87.10053	0.7
89.03909	0.4
89.10801	1.2
90.09184	0.8
91.05467	0.5
97.02904	1.3
97.07656	2.9
98.06045	0.6
99.04447	2.1
100.07610	1.2
100.11259	0.4
101.00896	0.7
102.01006	0.4
102.96895	0.5
103.00626	5.7
103.01312	0.5
104.07110	0.9
104.31348	0.3
110.05978	0.4
111.05562	0.6
111.09196	0.6
112.11213	0.8
114.10285	4.0
116.07089	0.4
118.06607	0.3
118.08666	0.4
119.01911	5.2
120.02025	1.4
121.01662	26.9
121.61529	0.7
121.96679	0.7
122.02039	1.1
127.03886	0.7
128.07108	0.9
128.08194	0.9
128.10822	0.8
128.11829	7.2
129.06636	0.3
137.02962	1.6
139.02702	9.3
139.03545	0.4
144.61797	0.4
145.03517	1.5
145.05093	1.1
145.07584	0.6
145.14458	7.0
145.17000	0.9
146.06044	1.5
146.08124	5.6
146.09258	6.0
146.11784	0.9
146.12909	0.8
146.15392	19.4
163.04582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05521	0.5
56.05033	0.6
56.95208	0.3
56.96561	0.4
57.03436	2.3
57.04564	5.3
57.84998	0.3
58.06610	1.1
59.05000	0.5
59.07382	0.3
60.05657	2.0
60.08170	21.9
62.93003	0.5
67.05525	0.6
68.05034	0.4
68.68257	0.3
69.03434	2.9
69.07075	15.9
69.76476	0.5
69.76809	0.5
70.06607	0.9
71.05013	1.0
71.06928	0.6
72.05336	0.4
72.08162	64.3
73.06533	0.5
73.08498	0.7
74.06094	1.1
74.07210	20.3
81.03423	0.7
82.06590	1.0
83.04980	0.4
84.04504	0.4
84.08150	1.3
84.99603	0.4
85.02913	5.5
86.06082	9.1
86.06585	0.6
86.09714	100.0
87.04477	11.2
87.08120	1.4
87.10056	1.3
89.10807	1.1
97.02910	1.3
97.07661	1.8
98.06058	0.4
98.23324	0.4
99.04465	2.3
99.06419	0.3
100.02531	0.3
100.07645	1.3
100.11250	0.5
101.00893	1.2
102.01008	0.4
102.96890	0.4
103.00649	5.7
103.01325	0.5
104.00986	0.3
104.07100	1.4
111.05587	0.9
111.09172	0.3
112.11279	0.8
114.10313	2.7
114.48537	0.3
116.07069	0.3
119.01941	5.6
120.02023	1.4
120.97964	0.4
121.01677	26.9
121.96661	0.6
122.02022	0.7
127.03925	0.9
128.07162	0.7
128.08235	1.0
128.11852	5.0
129.06570	0.3
137.02985	2.2
138.03009	0.5
138.98976	0.3
139.02715	10.9
142.03529	0.4
144.61790	0.3
145.03511	1.7
145.05220	0.8
145.14499	5.7
145.16995	2.6
146.06018	0.8
146.08128	5.1
146.09262	5.0
146.11760	0.9
146.15416	18.5
163.04582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.05504	1.0
56.05027	2.2
57.03430	5.7
58.06598	5.5
59.84037	0.6
60.08157	0.6
62.47646	0.5
65.03918	0.9
68.05024	1.2
69.03415	1.2
69.76991	1.8
70.06583	1.2
71.67378	0.5
72.04504	0.9
72.08150	60.5
73.07813	0.6
73.08468	0.6
74.06027	0.5
75.09227	2.4
80.05025	0.6
81.03418	2.3
81.99242	0.5
82.06576	4.6
83.04990	1.4
84.04499	2.4
84.08132	7.5
86.06064	3.3
87.04483	2.5
91.05479	23.1
92.05814	0.6
98.06033	0.8
100.07616	4.4
104.90809	0.8
105.80119	0.6
110.06044	1.2
111.04430	0.9
112.11237	14.2
116.07088	2.1
117.05760	4.1
118.06537	100.0
119.04930	5.3
119.06119	0.6
119.06859	2.8
123.96450	1.2
128.04965	10.0
128.07079	2.1
129.13896	3.3
146.06006	48.4
146.08080	23.0
146.09138	1.0
146.16451	1.2
147.04532	2.7
147.05457	1.1
147.06462	1.2
147.09200	0.7
147.17105	0.5
147.56406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10873	0.7
54.46171	0.8
55.05495	1.1
56.96567	1.6
57.03440	1.2
57.04555	1.4
58.06585	2.5
59.07327	0.8
60.05637	3.5
60.08163	73.1
65.51730	0.7
67.05487	1.5
69.03416	1.9
69.07066	44.1
69.86584	2.5
72.08142	3.2
73.06561	2.1
73.08481	1.7
74.06074	1.6
74.07171	1.3
82.06557	0.8
83.03162	0.7
84.04501	2.3
84.08137	10.0
84.63248	0.8
86.06063	12.8
86.09686	1.5
87.04465	23.1
87.08111	8.2
87.10030	1.9
87.12982	0.8
90.09180	2.9
98.97582	1.1
100.07616	1.5
101.05994	0.8
104.07105	2.7
110.41747	0.8
111.05582	1.8
118.08698	1.2
119.04880	1.4
121.01647	1.1
128.07069	1.3
128.08159	1.4
130.08617	0.8
146.06117	1.0
146.08110	8.7
146.09244	10.2
146.11760	3.2
146.12915	2.2
146.15393	100.0
147.15723	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.00767	0.5
55.05511	1.0
62.45534	0.5
64.92825	0.6
65.03944	7.4
67.23135	0.5
69.44398	0.4
71.45811	0.7
72.08145	0.9
74.10152	0.4
79.05508	0.8
84.04503	5.4
84.08152	2.3
89.03914	0.6
91.05478	83.9
92.05820	1.9
93.07030	0.7
101.04747	0.5
103.05473	0.9
105.07027	6.4
117.07002	1.6
119.04941	100.0
119.08569	8.8
120.04495	0.8
120.05277	2.8
120.08089	1.3
123.96449	1.8
129.07033	0.4
130.04967	1.6
130.06549	1.2
131.08665	0.6
134.26584	0.5
145.10114	1.3
147.04408	55.1
147.05428	2.5
147.06161	2.9
147.08109	3.1
147.09200	1.9
147.11670	6.0
148.04779	1.3
148.07556	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.93370	0.4
61.84818	0.4
62.08322	0.4
64.92810	0.8
65.03941	6.0
66.10268	0.4
69.36192	0.4
71.37698	0.5
72.08160	1.2
73.08468	0.8
79.05488	0.5
80.05015	0.5
84.04504	3.6
84.08144	1.6
91.05476	83.9
92.05806	1.6
95.04969	0.6
102.05540	0.4
103.05457	0.7
104.90826	0.5
105.07016	1.4
105.19697	0.4
106.06554	0.6
106.96637	0.4
107.13381	0.5
118.06533	0.5
119.04938	100.0
119.08603	2.5
120.04515	0.5
120.05259	2.5
120.08052	1.0
123.96471	1.4
130.04977	1.4
130.06516	5.8
147.04408	53.9
147.05435	3.0
147.06366	2.5
147.08087	1.7
147.09175	7.4
147.11681	1.0
148.04768	1.7
148.07545	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	1.5
55.05499	4.4
56.05020	1.5
57.03450	1.4
64.92796	5.1
67.05502	2.9
72.11653	1.4
75.38570	1.4
77.51430	1.5
79.05489	4.9
80.05025	2.0
84.04524	8.1
84.08115	3.6
91.05479	21.5
93.07050	2.4
95.04948	1.5
103.05443	3.3
104.04977	5.1
105.07025	100.0
106.07331	2.3
107.08556	2.2
117.07018	5.6
118.06527	2.2
119.04932	4.1
119.06041	1.3
119.08578	48.1
119.09426	2.9
120.08143	8.2
120.08882	2.0
123.96440	9.4
130.05011	2.3
132.09416	1.7
145.10152	1.7
147.04370	5.1
147.05519	9.6
147.08130	4.0
147.08551	2.2
147.09300	7.9
147.11681	40.4
148.03893	1.5
148.07558	34.7
148.08629	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03946	0.7
55.05509	10.6
65.03940	2.3
67.05496	0.8
69.07063	2.1
72.08153	1.0
73.08494	0.9
79.05497	6.7
80.05081	0.8
81.07054	1.2
84.04496	6.9
84.08144	1.2
91.05476	39.3
92.05820	0.8
93.07052	3.8
95.04961	1.4
102.04707	0.9
102.05577	0.6
103.05455	3.4
104.05002	1.3
104.06234	0.7
105.07028	72.6
106.07369	1.9
107.08588	9.2
111.45241	0.7
115.05460	1.2
116.06252	1.6
117.07005	12.1
118.06543	0.8
119.04942	12.7
119.08577	100.0
120.08094	3.1
120.08925	3.1
121.10120	0.8
123.96397	1.2
129.07008	2.1
130.05022	2.0
130.06517	0.8
130.07776	1.3
131.08560	2.2
132.09341	6.0
145.10106	10.1
147.04404	8.5
147.05525	3.2
147.06500	1.2
147.08115	4.3
147.09229	3.7
147.11678	76.0
148.03932	1.2
148.05009	0.9
148.07564	11.7
148.08636	1.1
148.12067	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03937	2.8
55.01871	6.1
57.07060	0.9
57.49194	0.6
65.03941	29.9
67.05508	1.6
69.38175	3.5
72.93787	0.8
74.20821	0.6
77.03925	4.4
79.05485	7.5
81.03409	2.9
85.06542	1.6
91.05479	28.9
91.44375	0.7
93.03407	9.5
93.07044	22.3
94.06548	1.5
95.04970	16.8
98.22640	0.8
103.05467	28.2
103.07594	1.5
105.03381	5.4
105.04501	6.2
105.07019	1.6
107.04979	2.3
111.04448	7.4
112.55957	0.6
112.56860	0.6
113.05997	0.7
118.04236	0.8
119.04954	5.9
121.02866	40.6
121.03976	14.5
121.06500	15.2
122.03191	1.0
122.06005	2.0
125.40282	0.7
129.30563	0.7
131.04927	77.8
132.05260	2.1
139.54112	0.7
147.04395	2.2
149.02342	100.0
149.05972	13.0
149.07007	0.9
149.07950	1.0
150.02684	3.9
150.05493	1.7
150.07756	5.4
150.08977	1.5
167.03397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01871	6.1
57.07060	0.9
57.49194	0.6
65.03941	29.9
67.05508	1.6
69.38175	3.5
72.93787	0.8
74.20821	0.6
77.03925	4.4
79.05485	7.5
81.03409	2.9
85.06542	1.6
91.05479	28.9
91.44375	0.7
93.03407	9.5
93.07044	22.3
94.06548	1.5
95.04970	16.8
98.22640	0.8
103.05467	28.2
103.07594	1.5
105.03381	5.4
105.04501	6.2
105.07019	1.6
107.04979	2.3
111.04448	7.4
112.55957	0.6
112.56860	0.6
113.05997	0.7
118.04236	0.8
119.04954	5.9
121.02866	40.6
121.03976	14.5
121.06500	15.2
122.03191	1.0
122.06005	2.0
125.40282	0.7
129.30563	0.7
131.04927	77.8
132.05260	2.1
139.54112	0.7
147.04395	2.2
149.02342	100.0
149.05972	13.0
149.07007	0.9
149.07950	1.0
150.02684	3.9
150.05493	1.7
150.07756	5.4
150.08977	1.5
167.03397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0964
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03949	1.7
53.60142	0.7
55.01871	2.6
55.05513	1.1
65.03596	1.5
65.03944	29.5
67.05512	1.5
69.03419	3.4
69.07074	0.8
75.83590	0.7
77.03931	1.1
79.05495	13.2
81.07062	2.1
91.05486	35.5
91.06056	1.8
93.03416	7.7
93.07051	23.8
95.04965	2.9
103.05460	5.5
105.04514	2.1
105.07037	25.8
106.07848	1.8
107.04942	1.7
107.08604	6.2
108.04510	1.0
109.06494	3.6
111.04439	6.2
111.58744	0.8
115.05466	3.4
116.06237	14.7
117.03394	0.9
119.08592	5.1
121.02873	40.4
121.03981	14.2
121.04793	1.5
121.06508	12.0
121.10152	30.7
122.03187	0.8
122.10455	0.7
123.08050	4.4
123.21354	0.7
128.06207	0.9
129.07024	5.2
131.08566	19.8
133.06534	1.1
133.07608	3.4
134.07268	2.7
147.08057	2.8
149.02348	100.0
149.05977	2.4
149.09627	80.5
149.13266	2.7
150.02699	4.3
150.03690	0.9
150.05490	1.1
150.10001	1.8
155.64983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
54.97116	0.8
55.01863	2.9
55.05495	1.6
61.18969	1.1
65.03590	1.6
65.03941	28.5
67.05495	1.3
69.03438	6.2
69.45441	3.0
70.88065	0.9
73.30541	1.0
77.03902	1.3
79.05501	15.9
81.07060	2.1
91.05476	43.6
93.03390	7.1
93.07042	28.0
95.04958	3.4
103.05460	5.6
105.04485	2.3
105.07027	36.8
106.07810	3.5
107.04938	1.3
107.08615	5.7
108.04507	1.0
109.06505	4.0
111.04423	6.5
115.05457	7.0
116.06239	17.4
117.03420	1.4
119.06870	0.9
119.08591	7.5
121.02863	36.2
121.03973	13.5
121.06494	14.9
121.09260	1.8
121.10139	35.4
123.08067	4.3
129.06996	6.8
131.08562	25.2
133.07635	4.7
134.07269	3.6
147.08064	3.8
149.02339	88.4
149.05927	2.4
149.09613	100.0
150.02687	3.6
150.03766	1.1
150.09995	1.9
156.03099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03924	2.0
55.05505	12.1
57.07067	3.1
59.47886	1.5
65.03934	9.4
67.05507	4.1
69.07070	21.7
69.40490	7.4
72.46014	1.2
74.47077	1.2
77.03938	3.3
79.05489	19.3
81.03395	2.2
81.07049	10.5
91.04942	2.1
91.05473	23.2
93.03397	3.1
93.07041	60.8
94.07365	1.3
95.04963	3.1
95.08584	3.4
105.04531	2.0
105.07032	16.5
107.04932	1.8
107.08591	100.0
109.06495	4.0
119.06056	2.7
119.08570	4.4
121.02873	13.3
121.03989	5.2
121.09267	2.6
121.10143	50.8
122.10410	2.0
132.78613	1.3
133.07608	1.9
138.99677	1.3
149.02338	32.3
149.09608	20.7
149.13254	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03934	1.2
55.05505	9.0
57.44991	1.0
65.03933	5.7
67.05487	3.3
69.07066	15.6
69.34944	5.1
74.20264	1.0
77.03922	1.2
79.05488	17.3
81.07055	20.3
91.05467	18.3
93.07037	71.0
95.04960	3.9
95.08613	2.6
105.04514	1.5
105.07021	12.6
107.08586	100.0
108.08923	2.1
109.06514	3.6
119.06047	2.3
119.08560	1.7
121.02848	5.8
121.03973	1.6
121.10133	45.5
123.08135	1.1
149.02332	11.6
149.13248	36.5
149.14453	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.7
57.07079	2.2
62.54420	1.2
64.34814	1.1
65.03940	9.8
67.05500	1.3
69.07065	14.7
69.13429	4.8
69.13831	3.0
73.10354	1.1
79.05495	16.0
81.07050	9.2
91.05479	23.3
93.03381	3.0
93.07046	43.2
95.04971	3.3
95.08574	1.3
105.07024	13.5
107.08592	100.0
108.08895	2.6
109.06511	5.4
111.04444	1.8
119.06081	2.4
119.08579	2.5
121.02864	13.4
121.03968	4.5
121.10145	44.9
122.32751	1.2
149.01224	2.5
149.02348	30.4
149.09543	1.6
149.13263	26.3
150.09045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05500	10.1
65.03947	16.2
65.16801	2.2
67.05500	28.1
69.07064	15.0
70.70853	3.2
79.05492	57.3
81.07056	100.0
83.08611	7.0
91.05477	14.5
93.03382	5.2
93.07047	87.5
94.07335	3.7
95.04973	3.4
95.08595	12.9
100.74185	2.2
105.04510	4.1
105.07013	4.7
107.08591	78.4
111.04430	2.2
121.02849	21.0
121.03965	10.5
121.10148	22.2
125.40549	2.2
144.35292	1.9
147.11740	2.0
149.02347	57.6
149.08067	2.2
149.09613	7.0
149.13255	74.2
150.02676	2.9
150.05624	2.5
150.13550	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	4.6
55.05513	11.8
65.03945	23.6
67.05501	39.9
69.07066	20.7
71.07217	2.4
75.02354	1.9
77.03918	2.2
78.98019	1.9
79.05482	64.1
81.03400	2.7
81.07050	100.0
83.08617	6.4
91.05484	24.5
93.03404	5.2
93.07039	98.3
95.04964	5.6
95.08602	18.2
103.05489	3.1
105.04513	2.1
105.07039	11.0
107.04950	26.2
107.08588	80.0
108.21346	1.9
110.37943	2.0
120.05727	4.7
121.02854	27.8
121.03953	10.2
121.06525	4.1
121.10135	26.4
125.38813	2.2
149.02336	63.2
149.07903	6.1
149.09615	36.7
149.13245	82.7
150.02696	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03947	1.4
55.05515	7.0
57.07076	1.5
65.03938	21.8
66.04220	1.5
67.05510	2.7
69.07068	15.1
71.46338	1.7
77.03911	1.8
79.05500	14.5
81.07055	10.8
83.08597	1.7
91.05477	23.2
93.03398	6.5
93.07043	60.5
94.07372	2.0
95.04951	4.1
95.08587	2.5
96.48717	1.1
103.05493	1.3
105.04483	1.6
105.07025	18.6
107.08594	100.0
108.04469	1.7
108.08909	2.4
109.06507	5.3
111.04433	4.1
119.06022	2.5
119.08549	3.1
121.02862	31.0
121.03976	13.0
121.06471	2.7
121.10142	59.6
122.03223	1.5
122.10477	2.7
123.08063	3.0
131.08572	2.7
132.08145	1.8
133.07634	1.5
134.10895	1.2
149.02341	88.0
149.06006	2.4
149.07971	2.5
149.09636	5.5
149.13266	29.2
150.02678	4.4
150.03749	1.4
150.05560	1.1
150.09105	2.0
150.13622	1.5
164.34662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.29836	1.5
53.03933	2.7
55.01885	1.6
55.05501	10.4
61.89751	1.4
65.03940	9.2
67.05167	2.1
67.05508	36.8
67.16229	1.6
68.31067	1.4
69.07062	23.8
77.03925	3.5
79.05042	3.1
79.05494	57.4
80.05801	1.8
80.20251	1.5
81.03392	1.9
81.07052	100.0
83.08604	6.0
90.51041	1.4
91.05472	18.6
93.03412	2.5
93.07043	92.6
94.07363	2.6
95.04966	5.4
95.08593	19.2
98.22665	4.7
105.04523	3.5
105.07049	6.6
107.04955	33.6
107.08588	79.6
109.06554	2.0
112.46558	1.6
120.05716	4.3
121.02866	11.1
121.03985	3.3
121.10154	24.4
124.58007	1.7
149.02341	27.7
149.09628	20.7
149.13252	79.9
150.13557	2.7
159.57285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
50.28052	1.6
55.05508	13.6
57.07067	1.6
65.03939	10.8
67.05502	6.6
69.07066	16.2
69.19168	8.5
79.05489	48.7
81.06658	1.2
81.07059	30.9
83.46288	1.7
89.39870	1.7
91.05474	27.5
91.11678	1.5
93.03391	2.4
93.07040	100.0
94.07377	2.8
95.04948	8.0
95.08599	7.2
105.04535	3.7
105.07028	11.4
107.08585	79.6
109.06529	3.0
111.04430	1.7
119.06109	2.0
121.02860	15.1
121.03988	5.3
121.06509	2.7
121.10128	23.8
149.02339	31.6
149.09697	3.0
149.13258	39.3
151.66911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0586
Annotation	L-Methionine
Peak:m/z	Relative Intensity
52.82233	0.2
53.03952	0.2
56.05040	100.0
56.96569	0.6
57.03440	0.8
57.05390	0.8
58.06590	0.2
58.99583	0.6
60.04535	0.4
61.01155	61.1
61.02930	0.5
62.01479	0.3
64.08246	0.2
66.04286	0.2
67.05505	1.0
69.03437	0.7
70.02542	0.1
70.03759	0.2
70.06621	0.2
72.04510	0.2
73.02912	0.5
73.54100	0.1
74.02446	6.5
74.06084	7.0
74.99067	0.5
75.02704	0.7
77.00622	0.3
79.05494	0.2
81.03383	0.3
82.99789	0.1
84.04507	3.1
85.01132	0.6
85.02916	3.8
86.06068	0.4
86.09708	0.6
87.02698	13.3
88.07623	0.3
89.04266	0.3
91.02210	0.4
91.03920	0.2
94.06564	2.9
97.02893	0.8
98.97586	0.7
100.02497	0.5
101.00891	0.6
102.05549	20.6
103.02462	0.2
104.05334	69.1
105.00084	1.0
105.03748	1.6
105.05687	0.8
105.07028	0.7
106.06573	0.9
109.05137	0.6
114.05504	0.3
115.02372	0.5
116.98624	0.4
118.03515	0.3
119.01931	2.3
119.03524	0.2
122.03187	0.6
122.04478	0.2
122.06039	2.1
123.06676	0.2
128.01941	0.3
131.01855	0.3
132.06606	0.8
133.03203	46.8
133.04984	1.1
134.03506	0.6
137.02928	0.6
141.72470	0.2
142.03470	0.6
145.03484	0.6
146.02974	0.5
150.02708	1.6
150.05772	8.6
150.07755	18.9
150.09030	1.0
150.10390	1.0
151.04530	0.3
151.08228	0.2
160.04582	0.2
168.05190	0.2
168.06593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82769	0.5
65.03936	0.8
67.05496	0.7
69.57930	2.1
77.03910	0.8
79.05502	2.8
80.06275	4.2
90.04680	2.5
91.05482	7.7
92.06282	0.6
93.07029	0.8
95.04938	1.1
96.21342	0.6
98.18893	0.5
105.03392	0.9
106.04173	2.2
107.04955	23.9
108.05741	10.9
109.06545	0.8
110.00162	0.6
118.04150	1.7
121.02878	1.0
129.73474	0.5
135.04402	6.9
136.05212	5.0
151.07541	100.0
152.07869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0745
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
51.41691	0.4
54.19075	0.4
59.49339	0.4
65.03940	1.7
66.04696	0.6
67.05508	0.9
69.65139	1.6
77.03920	0.8
78.04723	0.5
79.05496	2.6
80.06269	2.9
83.35706	0.5
84.89629	0.4
90.04680	1.7
91.05483	7.6
93.07034	0.5
95.04983	1.0
105.03362	1.1
105.04557	0.6
106.04179	2.1
107.04955	20.5
108.05737	10.2
109.06525	0.9
116.98067	0.6
118.04175	1.6
119.06023	0.5
121.06561	0.5
123.07997	0.7
135.04391	6.9
136.05188	5.2
151.07542	100.0
152.07895	1.3
159.39456	0.5
167.52263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0745
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.35756	0.3
53.26835	0.4
65.03925	1.3
69.62001	0.8
69.62393	0.8
70.73041	0.3
77.03924	0.5
78.04694	0.9
79.05493	2.0
79.55064	0.3
80.06275	3.5
81.07044	0.4
89.03876	0.5
90.04700	2.8
91.05479	7.1
93.03399	0.6
93.07036	0.8
95.04969	1.1
95.08572	0.5
105.03378	1.4
106.04163	2.5
107.04948	25.0
108.05058	0.6
108.05740	9.5
109.06538	0.8
110.74520	0.3
118.04146	1.8
119.04954	0.7
119.06059	0.6
135.04404	6.0
136.05196	4.5
139.92795	0.3
151.07535	100.0
152.07895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	875-59-2
Peak:m/z	Relative Intensity
54.70760	0.9
65.03929	1.3
66.04720	1.4
67.05492	2.7
68.28929	0.9
69.03408	1.3
78.04673	1.7
79.05490	3.5
80.06267	3.0
81.07064	5.0
83.99052	0.9
89.06032	2.4
90.04678	2.3
91.05473	10.7
93.07015	4.0
95.04956	3.4
95.08610	3.3
105.03407	1.6
105.07015	2.6
106.04178	2.2
106.06587	0.9
107.04953	23.7
107.08590	2.4
108.05754	10.4
109.06512	3.6
109.10139	1.7
110.06099	0.9
118.04186	0.9
123.08086	4.7
123.11694	1.6
133.10100	1.5
135.04404	5.6
136.05190	4.1
151.04002	1.7
151.07538	100.0
151.11108	6.4
152.03389	1.0
152.06956	1.8
152.08006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03926	0.2
55.01872	0.2
55.05517	0.3
59.05003	0.2
65.03925	0.9
66.04723	0.6
67.05498	0.8
69.03423	0.3
69.13789	0.4
69.14200	1.1
70.57010	0.2
77.03923	0.6
78.04703	0.8
79.05488	2.7
80.06270	2.7
81.03387	0.2
81.07049	1.1
81.88705	0.2
89.03934	0.3
90.04700	2.8
91.05478	7.1
93.03409	0.5
93.07051	1.1
94.04177	0.4
95.04957	1.1
95.08596	1.0
99.99909	0.2
105.03416	1.2
105.04496	0.6
105.07043	0.6
106.04171	2.4
107.04951	23.2
107.08589	0.5
108.05743	9.7
109.06526	0.9
109.10102	0.3
109.42194	0.2
111.68695	0.2
118.04173	1.5
119.04956	0.5
119.06068	0.5
123.08086	1.0
123.11664	0.2
133.10109	0.3
135.04411	5.8
136.05205	4.4
148.71541	0.2
151.07535	100.0
152.07941	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
50.21646	0.7
67.05502	1.0
69.51388	2.6
77.03912	0.8
78.04702	0.9
79.05488	2.6
80.06274	2.5
90.04702	3.3
91.05477	7.3
93.70448	0.8
95.04971	1.0
98.22746	1.5
105.03421	0.9
106.04169	2.5
107.04250	1.6
107.04958	25.4
108.05747	9.5
118.04126	0.8
121.06509	0.8
126.55357	0.7
135.04391	6.0
136.05164	5.4
151.07541	100.0
152.07895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	875-59-2
Peak:m/z	Relative Intensity
57.86787	0.5
58.39235	0.5
65.03945	1.3
66.04735	0.9
67.05511	0.8
77.03909	0.7
78.04720	1.3
79.05473	2.7
80.06268	3.2
81.07067	1.2
87.95663	0.8
89.06033	1.3
90.04698	2.4
91.05477	6.5
93.03390	1.0
93.07037	1.5
95.04958	1.7
95.08608	1.3
98.37769	0.6
99.78298	0.7
105.03368	1.8
105.07017	1.3
106.04185	3.0
107.04952	21.8
108.05746	9.3
109.06538	1.0
118.04146	1.1
119.06052	0.9
123.08076	1.4
133.10106	0.7
135.04388	6.1
136.05186	5.6
150.72260	0.6
151.07538	100.0
152.03447	0.6
152.07877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
50.89920	0.6
69.58401	1.9
77.03921	1.3
78.04715	1.4
79.05503	1.5
80.06274	2.1
90.04694	3.3
91.05469	6.7
94.04155	0.7
105.03362	0.9
106.04158	2.6
107.04949	22.7
108.05746	9.6
116.39664	0.8
118.04176	1.4
135.04420	5.7
136.05190	4.9
151.07533	100.0
152.07858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.01860	5.5
55.05513	10.1
57.03426	5.7
57.07059	1.8
65.03920	2.7
67.05502	61.3
69.03434	9.2
69.07047	4.5
70.96568	1.6
71.04973	3.5
71.50100	1.1
79.05043	2.6
79.05490	42.1
80.06239	1.5
81.03390	1.5
81.07054	57.6
83.04979	20.2
85.06516	2.9
91.05476	56.8
93.07043	43.1
95.04967	14.4
95.08590	14.9
96.05167	1.5
97.06472	1.5
105.04518	1.6
105.07026	77.1
107.04964	2.5
107.08588	100.0
108.05785	1.7
108.08980	1.6
109.06508	16.5
109.10149	43.7
110.06007	1.3
119.06040	2.3
121.81342	1.2
123.08062	4.3
123.11717	10.0
131.08572	3.2
133.10121	89.2
134.10454	2.5
151.07599	11.9
151.08609	2.9
151.11172	97.2
152.07068	1.9
152.11511	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03945	0.4
55.01869	0.6
55.05499	1.7
57.03447	0.4
57.07076	0.5
59.04998	1.2
65.03922	1.1
67.05501	6.0
69.03422	1.5
69.07067	1.5
69.18973	1.2
69.19373	0.9
71.89182	0.3
74.69054	0.4
79.05502	3.7
81.07055	13.7
83.00079	0.4
83.04959	0.5
83.85478	0.4
89.06027	0.6
91.05479	4.9
93.07041	5.3
95.04959	3.6
95.08603	3.5
97.06524	1.4
105.07024	8.8
106.06597	0.5
107.04939	1.4
107.08588	6.3
108.05740	0.4
109.06513	10.6
109.10152	7.2
110.06087	0.4
119.04944	0.7
119.06077	0.7
121.06569	0.9
121.10162	2.3
123.08064	4.4
123.08970	0.5
123.11689	3.3
133.10138	4.3
136.05249	0.5
136.08820	1.7
151.02821	0.6
151.03894	2.1
151.05006	1.3
151.07588	7.1
151.11172	100.0
152.07014	1.0
152.11560	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
50.94790	0.5
53.03944	1.1
54.43376	0.4
55.05494	1.9
57.07076	4.6
58.97000	0.5
61.99316	0.5
65.03943	0.7
67.05159	1.0
67.05502	13.5
69.03422	0.7
69.07065	11.2
69.35434	0.5
70.67397	0.8
71.08619	1.2
79.05488	8.8
81.07053	100.0
82.07395	1.1
83.08604	1.4
89.06013	0.8
91.05496	2.0
93.07032	3.0
95.04953	0.6
95.08603	54.9
96.08955	0.7
103.34232	0.5
105.07030	2.1
107.04961	1.5
107.08641	1.0
108.05744	0.6
109.06557	1.1
109.10146	18.7
110.06078	0.7
123.08063	1.2
123.11700	0.9
133.10120	1.4
151.05035	0.9
151.07541	10.0
151.08620	1.1
151.11192	2.3
151.14807	7.1
152.07074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
51.79630	0.2
54.20112	0.2
55.02997	0.4
55.11380	0.2
56.96568	0.3
65.15583	0.2
69.80096	0.5
71.71825	0.2
81.03420	0.2
82.04069	0.3
85.01429	0.2
85.35177	0.2
86.66500	0.2
89.04374	0.2
92.04991	0.3
93.05767	0.3
98.22757	0.2
98.97584	0.4
106.06528	0.2
107.03541	0.3
108.08123	1.5
109.05133	1.6
110.03521	10.1
110.06016	0.4
110.97546	0.3
116.98607	0.3
119.01908	0.3
127.23151	0.2
128.04555	3.4
128.05429	0.3
128.98615	0.3
129.02061	0.2
129.03906	0.2
134.04620	0.9
134.06013	0.5
135.03015	17.0
136.01398	0.4
136.03308	0.3
137.09528	0.3
146.99632	0.3
147.01411	0.6
147.05000	0.3
147.91032	0.2
152.05673	100.0
152.06963	7.2
152.10658	4.3
153.04068	23.6
153.05878	1.2
154.02484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.45867	1.3
51.25820	1.0
53.03947	2.7
55.01881	1.3
55.05517	15.6
57.03445	2.3
57.07080	1.8
59.05005	8.5
65.03931	3.0
67.05516	9.5
68.96343	2.2
69.03438	4.0
69.07072	12.5
69.44155	6.0
70.94244	3.1
70.95860	5.0
71.05000	34.9
71.54873	1.4
71.95274	7.4
73.06562	20.6
75.81658	1.1
79.05501	28.1
80.10006	1.3
81.03413	1.3
81.07060	100.0
82.07375	1.7
83.04984	5.8
83.08624	3.5
85.06548	1.8
88.96893	1.8
88.99403	1.3
91.05475	10.4
91.58372	1.3
93.07051	48.3
94.07317	1.4
95.04970	10.6
95.08607	9.3
97.06534	8.5
105.07046	4.1
106.73834	1.1
107.04984	7.4
107.08595	47.4
109.06522	4.7
109.10170	9.6
110.06041	1.4
111.04447	3.0
111.05577	2.1
111.08089	8.0
111.98469	1.5
119.06027	1.2
119.08586	1.3
121.02895	1.3
125.06002	2.7
125.09634	2.7
126.05511	2.7
128.77051	1.1
130.96274	2.0
135.04425	2.6
135.05452	1.5
135.08086	9.8
135.09006	1.9
135.11687	29.7
135.44171	1.3
136.03951	2.2
136.07597	4.2
138.06783	3.4
148.97377	8.1
150.34021	1.1
153.04382	1.3
153.05476	4.3
153.06639	4.4
153.09126	9.5
153.10223	3.1
153.12766	14.6
153.13899	1.8
154.04991	4.8
154.08638	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	2.6
55.05509	11.6
56.30446	1.1
57.07066	2.4
59.05000	8.3
63.80766	0.8
65.03923	1.3
67.05498	7.6
69.07068	9.3
70.94248	0.8
70.95853	2.5
71.04992	40.1
71.46143	1.4
71.95268	2.1
73.06554	23.3
77.03928	1.1
79.05492	23.6
81.07054	100.0
82.07391	2.0
83.04976	2.1
83.08604	1.1
85.06544	2.2
87.65340	0.8
91.05482	9.7
93.07042	46.5
95.04944	6.7
95.08601	7.7
97.06522	7.7
97.15739	0.8
105.04517	2.2
105.07022	2.6
107.04990	1.4
107.08590	37.3
109.06528	2.4
109.10142	6.9
111.04494	1.3
111.08097	6.3
119.06097	1.0
119.08563	2.1
125.06011	1.4
125.09638	1.8
126.05537	1.9
135.08067	3.1
135.11693	31.2
136.04024	1.6
136.07632	1.3
144.85320	0.8
153.05502	2.0
153.12732	13.5
153.13858	1.5
154.04997	2.2
162.57462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01862	1.6
50.77034	1.6
53.03928	3.2
53.56427	1.6
55.01871	2.1
55.05510	16.0
57.03440	2.8
57.07088	1.9
59.05000	9.3
67.05516	10.0
68.38894	1.8
69.03443	2.6
69.07073	14.0
71.04992	38.6
71.06001	2.8
71.95266	3.1
73.06557	21.2
75.24081	1.6
79.05499	25.6
81.07056	100.0
83.04985	5.3
83.08611	2.0
85.06536	2.4
91.05479	11.2
93.07044	43.6
95.04983	4.0
95.08593	8.8
97.06535	9.3
105.04526	2.0
105.07008	2.8
107.04977	4.7
107.08590	44.9
109.06519	2.8
109.10165	7.7
111.04453	3.4
111.08072	6.3
112.97855	1.8
125.09635	3.9
135.04376	1.8
135.11694	30.1
136.04001	1.7
148.97241	1.8
152.94878	1.7
153.05461	2.5
153.09085	3.8
153.12741	15.4
154.04918	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.59582	1.3
55.01872	2.4
55.05513	13.9
56.75633	1.2
57.03408	1.7
57.07093	1.1
57.18282	1.1
59.05004	6.0
61.75406	1.3
61.85598	1.0
65.03934	4.8
67.05494	4.9
69.07060	8.1
70.94260	2.4
70.95861	4.6
71.04990	26.3
71.95251	4.7
73.06557	18.3
75.00138	1.1
77.38737	1.2
79.05037	1.9
79.05487	23.6
81.07054	79.3
82.07371	1.5
83.04985	6.1
83.08618	1.9
85.06532	1.3
91.05489	7.8
93.07043	36.5
95.04949	6.6
95.08594	8.5
97.06519	7.9
105.07009	3.3
107.04945	3.0
107.08595	32.7
108.04473	1.4
109.06512	3.2
109.10146	5.2
111.03166	1.6
111.04427	4.8
111.08076	8.3
116.88146	1.2
119.08599	1.4
121.02863	100.0
121.04755	3.2
124.26432	1.1
125.05992	1.5
125.09608	2.3
126.05505	3.7
130.96526	1.0
131.33128	1.1
135.04453	1.5
135.08038	3.9
135.11690	21.3
136.03981	2.1
148.97321	1.7
153.05440	8.0
153.06561	2.2
153.09109	3.8
153.12767	15.4
153.13870	2.5
154.04950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02375	0.5
53.03950	0.6
55.05508	5.7
57.03434	2.0
57.07074	1.5
59.04995	1.7
59.99260	0.5
65.03928	1.0
65.21558	0.6
67.05506	11.3
69.03429	1.4
69.07063	12.5
69.42961	1.1
69.43343	1.5
70.95869	0.8
71.04984	3.3
71.95256	0.8
73.06570	0.6
77.03903	0.7
77.58671	0.5
79.05490	11.3
81.07054	16.5
81.63214	0.6
83.04976	6.7
83.08611	3.1
91.05469	6.8
93.07040	70.4
94.07375	1.4
95.04966	2.0
95.08604	55.7
97.06525	19.7
104.97451	0.5
105.04456	0.8
105.07005	2.8
107.08589	100.0
108.08925	1.8
109.06560	1.1
109.10149	21.2
111.08071	1.8
119.06071	1.3
125.13276	0.7
126.05547	0.6
135.08084	2.9
135.11688	52.9
136.12035	1.1
153.09155	1.0
153.12738	32.5
174.68654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03938	2.6
55.05510	13.6
57.03436	1.7
57.07081	1.9
59.05003	6.9
65.03940	1.6
66.27722	0.9
67.05502	5.9
69.07072	8.9
69.21192	5.3
71.04992	38.3
71.95247	2.3
73.06553	22.4
77.03906	1.4
78.38155	1.1
79.05492	26.5
81.03413	1.1
81.07055	100.0
83.04987	1.5
83.08617	2.9
85.06552	1.5
91.05482	8.6
93.07043	40.9
95.04971	3.8
95.08604	6.5
97.06527	5.6
101.50287	0.9
105.04492	1.0
105.06993	1.6
107.08588	35.0
108.08843	1.0
109.06506	2.6
109.10178	4.9
110.65275	1.0
111.08091	4.2
119.08575	1.8
135.11684	26.2
153.06578	1.3
153.09010	1.4
153.12730	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	2.6
54.51040	1.2
55.05514	14.3
57.07061	1.5
59.05002	8.2
65.03933	6.4
67.05515	7.2
69.07066	12.7
70.95859	3.7
71.04992	39.4
71.95265	9.6
73.06556	26.0
79.05489	26.9
81.07056	100.0
82.04202	1.7
83.04971	4.0
83.08612	1.7
91.05467	8.1
93.06452	2.5
93.07040	42.9
95.04977	5.5
95.08601	9.4
97.06538	8.5
105.04534	1.6
105.07061	3.0
107.04887	1.7
107.08594	44.5
107.40027	1.4
108.04504	1.7
109.06503	2.9
109.10095	7.8
110.03650	2.6
111.04427	4.0
111.08099	8.1
121.75602	1.6
125.05996	4.2
125.06982	1.3
128.39124	1.6
128.62570	1.5
135.04491	1.4
135.11699	31.4
136.03935	2.4
141.31593	1.7
148.97321	1.7
153.04111	1.6
153.05449	4.4
153.06650	3.8
153.09096	3.5
153.10220	1.9
153.12747	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01883	2.0
55.05259	1.3
55.05509	17.2
56.05874	1.0
57.03425	0.9
57.07068	2.2
59.04997	7.9
65.03927	2.3
67.05503	10.0
68.96339	1.8
69.03426	2.3
69.07065	10.8
69.55638	3.0
70.94249	2.0
70.95853	4.5
71.04585	1.8
71.04987	36.9
71.95259	4.9
73.06550	22.6
79.05491	30.8
81.03443	1.5
81.07053	100.0
82.07381	1.2
83.04955	4.2
83.08612	2.1
85.06552	2.1
88.96928	1.2
91.05472	11.7
93.07040	45.3
95.04972	7.4
95.08610	9.0
97.02889	0.9
97.06523	6.2
98.22449	0.9
100.21066	0.9
105.04498	1.7
105.07027	3.2
107.04957	2.4
107.08588	43.4
108.04470	1.2
109.06495	3.8
109.10143	6.4
109.98920	1.9
111.03220	1.2
111.04437	3.2
111.08091	6.8
111.96838	1.2
111.98467	1.4
117.07019	1.5
119.06037	1.5
119.08562	1.9
125.06039	1.7
125.09641	2.1
126.05536	4.0
130.96266	1.9
135.04404	1.3
135.05470	1.0
135.08058	10.8
135.11688	29.8
136.03929	1.8
138.06754	3.7
148.97359	5.0
153.05420	2.0
153.06595	3.9
153.09116	8.3
153.10184	1.0
153.12753	14.0
153.13863	1.6
154.04997	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03968	0.9
54.47780	0.9
55.01858	1.1
55.05510	6.1
57.03429	2.4
57.07069	1.4
58.49612	0.6
59.04996	1.7
61.49773	0.7
65.03937	1.7
67.05506	10.2
69.03420	2.7
69.07064	10.5
71.04992	3.3
71.45993	1.1
71.95263	3.4
72.67968	0.8
73.06551	1.8
77.03922	0.9
79.05479	11.7
81.07053	17.1
83.04979	5.7
83.08621	2.3
91.05478	9.4
93.07042	74.8
95.04969	5.2
95.08604	52.4
97.06522	10.8
105.04539	1.1
105.07053	3.1
107.08591	100.0
108.08921	1.8
109.06536	3.1
109.10158	14.2
110.03490	1.0
111.05584	1.1
111.08089	2.0
121.02868	2.4
121.06486	2.2
125.02293	0.8
125.05965	1.2
126.05520	2.3
128.96747	0.9
130.96272	1.2
135.08086	1.8
135.11685	44.5
136.03995	1.1
136.11967	0.8
148.97437	1.2
153.01906	0.8
153.05461	2.2
153.06627	1.5
153.07965	0.9
153.09134	2.1
153.10176	1.2
153.12747	21.8
154.04912	1.6
164.50880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03931	0.6
54.46761	0.4
55.01873	1.2
55.05511	16.2
56.96565	0.9
57.03430	2.4
57.07079	1.8
58.06592	0.7
59.05009	4.4
62.71468	0.4
65.03949	2.4
67.05502	100.0
68.05824	1.0
69.03417	0.6
69.07070	1.7
69.96177	0.5
70.95872	2.9
71.04988	3.2
71.45588	0.6
71.95264	0.4
72.93793	4.2
79.05502	2.1
80.06238	0.4
80.37633	0.4
81.07056	14.0
83.04982	1.6
83.08622	5.1
85.06530	2.1
88.96900	0.8
89.79706	0.4
90.94831	1.5
91.05471	4.9
93.07046	2.1
95.04980	0.8
95.08610	3.1
98.98460	2.9
99.04474	0.6
107.08592	2.3
109.06516	0.6
109.07695	0.5
109.10153	21.4
111.04453	1.2
111.08077	2.5
111.98478	1.8
113.06020	1.4
113.96412	1.8
119.08572	1.2
129.99522	1.1
131.96152	0.7
131.97437	1.2
132.95816	3.0
137.07086	0.6
137.09584	0.6
149.97238	0.9
150.96889	7.0
153.01099	0.5
154.99074	0.5
155.05997	0.5
155.07042	3.7
155.08318	1.2
173.98508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
55.01878	0.6
55.05508	4.8
56.96558	0.6
57.03438	4.8
57.07078	3.0
59.04987	2.5
65.03936	1.0
67.05500	21.8
69.03419	1.9
69.07057	2.4
69.41164	2.2
70.95865	7.8
71.01348	0.8
71.04980	2.6
72.93790	8.7
76.40670	0.6
79.05470	2.2
81.07048	5.7
83.04974	14.3
85.02898	11.6
85.06527	0.7
88.10896	0.5
88.96884	1.4
89.61156	0.6
90.94800	2.2
91.05455	1.9
93.07040	3.5
95.04968	7.7
95.08601	4.5
97.06519	4.4
98.23446	1.1
98.98462	3.4
99.04448	2.9
107.08582	0.9
109.06510	1.6
109.10152	35.9
111.04433	1.9
111.08057	1.1
111.98457	2.6
112.05219	1.5
113.05997	7.2
113.09595	0.8
113.96402	3.7
119.08554	1.7
122.07280	0.6
127.07529	1.7
129.99472	2.2
131.96284	0.5
131.97459	2.0
131.99641	0.9
132.95830	10.2
137.06032	0.7
137.07091	1.0
137.09607	8.0
149.97217	1.5
150.96875	13.9
155.07097	7.6
155.10657	100.0
155.97437	1.6
156.08064	0.8
156.11011	1.6
162.93304	0.6
167.98358	0.6
173.98503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03948	1.5
54.11531	0.9
55.01860	2.2
55.05507	22.5
55.93520	1.5
56.05035	1.5
56.52591	0.9
56.96558	1.7
57.03435	2.1
57.07071	2.8
58.06573	0.9
59.04999	27.9
65.03914	2.0
67.05502	52.9
69.03439	4.8
69.06703	1.8
69.07064	25.2
69.32024	4.2
70.95860	16.6
71.01339	2.2
71.04990	7.0
72.93787	17.7
73.02917	1.8
73.06544	2.0
79.05487	3.3
81.03442	1.0
81.07056	14.0
83.04977	24.3
83.08615	14.8
85.02901	6.0
85.06543	13.2
88.96909	4.7
89.02422	1.0
90.94821	6.2
91.05461	3.4
93.07039	5.0
95.04959	21.0
95.08607	14.6
97.06525	12.5
98.98441	2.7
99.04450	25.6
99.05078	1.7
99.08080	3.8
105.04425	1.0
107.08570	3.3
109.06500	6.7
109.10150	100.0
110.07141	2.8
111.04431	4.3
111.08080	16.1
111.98472	9.2
112.05214	1.4
113.05997	40.0
113.09666	1.8
113.96392	8.2
119.08590	2.8
122.07272	3.9
123.04413	4.6
125.02479	1.2
127.03924	1.4
127.07607	2.3
129.99503	2.8
131.96126	2.5
131.97415	3.8
132.95831	23.3
137.06047	1.2
137.07196	1.2
137.09607	42.1
137.10660	2.2
138.09113	1.9
138.10039	1.5
140.04688	5.1
141.06998	1.4
149.97218	3.6
150.96884	33.5
151.11232	0.9
155.05890	1.2
155.07060	12.2
155.08163	1.6
155.10658	34.8
155.15430	2.6
155.97421	2.0
156.04173	1.1
156.09235	1.5
173.98505	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
70.75573	1.1
74.09724	16.9
74.71756	0.9
96.96924	3.2
98.97059	1.3
112.05266	8.3
130.06317	16.5
146.17549	1.0
148.45485	1.1
156.04221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05260	1.5
55.05516	28.1
55.45173	1.1
56.96572	5.1
57.03433	1.4
57.07069	3.0
58.99579	3.4
61.01154	39.0
62.70713	0.9
62.99080	26.1
63.67883	0.9
65.03940	2.7
66.68286	0.9
67.05509	83.6
69.00780	1.2
69.07076	10.0
69.61595	3.6
70.06593	2.1
71.04992	3.3
71.08635	43.0
73.01159	1.8
75.02702	1.4
77.00633	11.8
78.25062	1.1
79.05504	13.7
79.68497	1.2
81.07063	11.6
83.04987	2.9
83.08611	4.7
85.01137	2.4
85.06546	1.2
87.00835	10.2
87.02682	2.2
89.00623	96.2
91.02191	1.1
91.05476	8.0
93.24734	1.1
95.08594	5.7
97.10175	17.0
98.96978	2.0
98.97585	27.2
99.02686	3.6
99.08108	12.2
99.97942	4.5
101.04238	1.7
101.86642	1.1
103.02168	3.4
103.05479	1.7
105.03737	1.6
105.07030	18.3
105.87853	1.0
107.08598	7.6
109.10167	35.7
113.07961	2.2
113.09642	1.2
114.05501	1.3
114.55073	1.3
115.05484	2.2
116.06243	2.1
116.98627	25.2
116.99413	2.2
117.01877	8.2
117.03732	1.3
117.07031	17.7
117.98956	3.1
118.96774	2.2
119.08572	7.1
128.06287	1.5
129.07011	11.3
129.65382	1.2
130.07788	5.2
131.04958	1.1
131.08571	36.5
131.11781	2.3
132.85542	1.1
134.99680	11.1
136.00005	1.6
142.06647	1.0
142.07730	2.0
143.08485	1.6
144.05672	1.3
144.09348	20.6
153.00731	1.1
157.10146	3.8
158.01219	1.3
159.02969	1.7
159.04385	1.1
159.06491	1.5
159.08371	56.2
159.11702	100.0
160.12042	1.5
168.40254	1.0
174.24858	1.1
174.33798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.4
55.05513	17.5
56.96560	14.0
59.04988	5.2
60.58065	2.1
61.02927	3.3
67.05506	24.6
69.07074	2.4
70.06540	2.9
71.04990	19.3
79.05478	6.4
81.07054	33.9
83.04977	23.7
85.06528	5.1
91.05457	8.6
93.07026	6.8
95.08605	96.9
95.09220	4.8
97.06542	8.0
98.23443	4.8
98.97577	62.7
99.01949	2.5
99.04426	5.2
99.08086	26.8
99.97916	9.6
101.06026	13.8
103.05458	4.3
104.86787	2.3
105.07039	18.5
111.08053	7.1
113.07897	2.7
113.09589	4.2
115.05431	2.9
116.06203	2.7
116.98615	48.6
117.07026	14.3
117.98939	5.5
118.96750	2.9
119.08585	6.9
123.08070	41.6
129.07007	9.6
130.07831	3.8
131.04932	6.2
131.08553	32.7
131.11797	4.3
134.99669	20.7
135.99994	3.8
140.00262	2.5
141.09093	18.3
142.07770	2.3
144.05728	2.7
144.09355	19.0
144.15274	2.5
153.00742	2.4
157.10101	4.1
158.30397	2.7
159.04346	3.6
159.06918	2.9
159.08099	14.1
159.11688	100.0
160.12007	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03950	0.4
56.96565	1.1
57.68837	0.4
67.05497	2.5
69.49737	1.3
79.05493	1.6
81.07063	1.5
83.24622	0.4
91.05476	12.2
98.97579	3.9
99.97896	0.7
103.05500	0.6
103.81123	0.4
105.07026	15.4
115.05451	3.8
116.06277	1.9
116.98605	2.0
117.07013	29.2
118.07380	0.6
118.96756	0.5
119.08572	7.6
128.06259	0.9
129.06995	13.5
130.07790	15.8
131.08563	70.9
132.08850	1.8
134.99600	0.9
142.07758	1.8
143.08546	0.9
144.09337	17.2
157.10147	3.2
159.11685	100.0
160.12000	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31200	0.3
53.16651	0.3
65.58382	0.4
70.14788	0.9
77.33959	0.3
78.53448	0.3
82.01443	0.5
82.99847	5.6
83.02222	0.3
93.99232	0.3
96.72714	0.4
98.23375	0.4
98.74600	0.3
98.97598	0.7
99.97950	0.4
100.02494	4.9
100.97192	0.5
101.00887	49.0
102.00983	1.1
113.46902	0.3
118.03529	7.4
119.01928	100.0
120.02034	1.4
121.02317	0.5
124.02455	9.7
124.97520	0.3
125.02609	0.5
136.04585	2.8
136.48347	1.1
137.02965	16.4
142.03508	70.0
143.03648	1.6
145.48863	0.8
160.04567	57.0
161.02960	2.9
161.04698	1.4
165.05176	0.6
178.05618	13.1
179.04018	2.7
179.05559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.6
55.05512	8.9
56.05024	0.5
56.96561	1.5
57.03412	0.6
57.04556	0.8
58.06595	0.4
59.01342	0.4
59.05000	20.9
59.93081	0.4
60.05632	1.0
60.08161	12.4
61.30731	0.3
62.78244	0.3
68.05034	0.4
69.03423	1.3
71.47198	0.4
72.08144	0.9
74.07198	0.6
82.01451	0.5
82.99829	2.6
83.04980	5.0
84.04494	0.7
86.06061	6.6
87.04464	2.3
96.08121	0.4
98.38181	0.3
98.97577	3.5
99.97912	1.7
100.02478	2.8
100.07612	0.8
100.97187	1.6
100.97981	0.9
101.00876	32.2
101.06013	73.6
102.00950	0.4
102.06320	0.9
104.07103	1.6
111.05549	0.4
111.49788	0.4
114.05527	0.5
114.12797	0.6
115.05466	0.9
116.04736	0.9
116.10726	0.4
116.98611	1.8
117.05759	0.7
117.99014	1.5
118.03516	7.8
118.08663	3.6
118.96763	1.7
118.98206	0.9
119.01913	100.0
119.98813	0.4
120.01986	1.7
121.02348	0.4
124.02431	5.5
124.34701	0.3
125.07117	0.4
128.08218	2.3
132.06560	1.0
132.08109	1.8
133.06482	0.4
134.99663	0.8
135.99976	0.7
136.04536	4.1
137.02954	26.6
138.02972	0.4
142.03493	60.8
143.03627	2.3
143.08147	0.6
154.96455	0.4
160.04561	51.8
160.07520	10.6
160.09827	0.8
160.10822	20.8
160.13313	27.6
161.02954	2.6
161.04587	1.0
165.05096	1.0
178.05603	14.0
179.03993	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	METHACHOLINE
Peak:m/z	Relative Intensity
53.03955	0.7
55.05510	32.0
55.77618	0.3
57.04572	0.6
58.06601	0.8
59.05000	7.4
60.08162	48.8
61.08507	0.4
66.71909	0.4
70.13452	0.3
70.96208	0.5
80.97064	0.3
83.04977	16.8
86.06074	0.9
87.04462	1.3
101.00876	1.2
101.06014	63.0
102.06381	0.6
104.07106	1.0
113.93398	0.4
116.04731	2.9
119.01929	1.8
125.07108	0.5
137.02913	0.4
142.03471	1.1
160.04515	1.7
160.13318	100.0
161.13658	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49930	0.2
51.42708	0.2
55.05510	4.2
56.05833	0.2
56.96571	0.3
57.04547	0.8
59.04993	1.3
60.07869	0.3
60.08163	5.7
60.24062	0.2
61.08495	0.4
66.69675	0.2
69.03425	0.5
70.06593	2.1
71.03917	0.3
72.08145	0.3
74.07201	0.2
82.99839	2.4
83.04979	2.3
84.04488	0.3
84.08141	0.6
85.06523	0.2
86.06057	0.8
87.04494	1.1
89.79452	0.2
91.55303	0.2
93.39725	0.2
94.03466	0.2
97.02869	0.4
98.97568	1.3
100.97218	0.4
100.98022	0.5
101.00877	31.4
101.06017	7.4
101.49472	0.2
102.00928	2.2
102.06343	0.8
102.96886	0.6
103.00613	0.5
104.07099	0.5
106.41999	0.2
108.93195	0.2
112.08728	0.3
116.05748	0.3
116.07101	0.2
116.98613	0.6
119.01915	100.0
120.01997	4.6
121.01626	0.4
121.02385	0.4
125.02551	0.5
125.07143	0.3
133.03444	0.6
137.02953	20.9
138.03043	0.8
142.03481	1.1
143.01921	0.4
143.03642	4.1
144.03252	0.5
144.10265	0.3
160.04619	0.2
160.10841	1.6
160.13324	10.4
161.02957	6.1
161.04674	2.9
161.11211	0.3
161.13678	2.0
179.04016	7.0
179.05649	0.7
180.04121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20535	0.2
63.55995	0.2
69.45418	0.4
69.45796	0.3
82.38736	0.2
82.99834	2.6
98.22651	0.4
101.00874	33.7
102.00945	2.7
103.00660	0.3
111.00465	0.2
115.26173	0.2
118.03529	0.2
119.01911	100.0
120.01991	5.4
121.01642	0.6
121.02411	0.3
125.02547	0.5
137.02948	23.1
138.03027	0.9
139.03334	0.2
142.03471	1.2
143.01863	0.4
143.03629	5.2
144.03259	0.7
160.04568	0.3
161.02954	5.8
161.04652	3.9
162.04367	0.3
179.02377	0.3
179.04010	7.2
179.05675	1.2
184.47250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41985	0.2
55.05507	4.6
56.05839	0.4
56.58095	0.1
57.04543	0.3
58.06587	0.3
58.58178	0.2
59.05004	1.6
60.08161	6.8
61.08487	0.4
70.06592	0.2
70.54539	0.2
70.54884	0.2
72.08155	0.3
72.93916	0.2
74.07162	0.2
82.99828	2.1
83.04980	2.5
84.08144	1.0
86.06061	0.7
87.04450	0.6
96.43210	0.2
98.97566	0.4
100.07598	0.2
100.46599	0.1
100.97171	0.2
101.00875	28.3
101.06013	10.7
101.95023	0.3
102.00943	1.8
102.06346	1.3
102.96865	0.4
103.00608	0.2
104.07103	0.3
116.98547	0.2
119.01913	100.0
120.01988	5.2
121.01645	0.7
121.02332	0.3
123.05128	0.2
125.02628	0.5
130.08621	0.3
134.06012	0.3
137.02950	26.1
137.99796	0.2
138.03018	1.4
142.03490	1.3
143.01852	0.4
143.03624	4.7
144.03226	0.7
145.03433	0.2
159.05081	0.2
160.04671	0.3
160.10886	1.0
160.13322	13.1
161.02948	5.2
161.04637	3.9
161.13698	2.3
162.03099	0.2
162.04285	0.3
167.69337	0.2
179.04007	7.6
179.05661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.48130	0.7
53.03957	0.9
55.01883	4.7
55.05527	0.7
56.96566	0.7
69.03429	0.9
69.11080	2.0
69.11511	2.3
70.45365	0.6
72.08151	1.3
73.02951	0.7
74.06097	0.9
77.03928	1.6
79.05499	14.5
89.03895	0.9
90.04698	2.8
91.05495	5.3
93.07046	0.9
95.04968	5.3
95.09481	0.6
97.02947	0.6
98.97627	0.8
100.97198	1.2
101.00928	1.1
101.06039	0.8
101.95057	1.6
101.97166	1.2
102.96869	2.1
103.05480	21.0
105.04530	1.9
105.07038	100.0
106.07391	1.0
107.04951	1.0
107.17366	0.6
107.98799	0.8
115.05461	25.6
116.98622	0.7
117.06995	1.4
118.04168	14.4
119.01936	8.0
119.08598	3.0
119.98208	0.9
120.97913	2.6
121.06509	3.7
124.74499	0.6
128.06255	2.1
128.84734	0.8
131.04926	5.0
131.08574	1.3
132.05685	1.9
133.06500	50.7
133.10130	13.4
137.02963	3.0
138.03365	0.8
138.98958	1.2
139.01781	1.3
143.06039	6.3
143.08575	1.5
144.06989	0.8
144.08096	6.7
145.06464	0.9
146.07269	7.1
159.08107	0.9
161.04741	1.0
161.05981	11.8
161.07166	2.7
161.09621	34.1
161.10724	2.0
161.13335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	0.5
55.05507	6.5
57.45044	0.2
65.20984	0.2
67.05485	0.3
69.07060	2.1
71.12070	0.2
79.05479	1.2
80.68954	0.2
81.07036	0.7
83.08618	0.3
91.05476	6.9
93.07038	1.1
102.96870	0.4
103.05470	1.2
104.06266	0.2
105.04498	0.2
105.07022	13.8
105.34795	0.2
107.08574	1.3
115.05466	1.0
117.07010	2.6
118.04208	0.3
119.08572	100.0
119.17819	0.3
120.08920	1.9
120.97902	0.3
121.10136	2.1
122.54192	0.2
131.08571	2.2
132.09369	0.3
133.06541	0.4
133.10121	15.5
134.10492	0.2
146.03603	0.6
146.07253	0.4
146.10875	0.9
156.26634	0.3
158.45062	0.3
159.11665	0.7
161.05980	1.8
161.07130	0.4
161.09608	1.9
161.13249	19.3
162.13609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	1.1
55.05507	7.7
55.47589	0.6
57.07064	0.7
57.38000	0.7
62.99065	1.3
67.05505	5.2
69.07061	7.9
71.46384	0.7
79.05494	9.6
81.07053	32.5
91.04940	1.2
91.05480	17.0
93.07040	14.4
95.04961	1.0
95.08599	3.0
97.02885	0.7
98.06067	1.0
102.96876	0.9
103.05431	3.5
105.07025	100.0
106.07327	1.7
107.08595	4.0
109.58625	0.6
112.74413	0.7
113.02442	0.6
115.05453	2.2
117.07011	4.1
118.04176	1.0
119.08576	73.0
120.08852	0.8
120.97917	1.0
124.92668	0.6
128.06203	0.8
131.04903	0.9
131.08528	4.4
132.09383	1.1
133.02888	0.7
133.06528	4.0
133.07368	0.7
133.10126	28.3
143.08577	1.0
145.10138	0.8
146.03575	1.0
146.07222	0.6
146.10869	2.3
159.11682	2.8
161.05952	4.7
161.07062	1.0
161.09651	5.7
161.13251	76.3
162.05515	0.8
162.07614	0.7
162.09052	0.7
162.13611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	2.9
57.03179	3.7
57.03440	51.5
57.07077	60.9
59.04998	4.9
60.04510	2.0
67.05511	21.1
69.03423	9.6
69.66692	8.7
71.04987	9.4
71.54349	2.1
72.08145	3.1
79.05491	8.2
85.02889	3.0
85.06048	4.3
85.06540	57.0
89.03914	38.6
89.06014	3.4
95.04980	18.3
98.23476	4.0
101.06019	7.6
103.05480	9.0
103.07581	100.0
105.03427	4.5
105.04510	3.6
105.07049	3.6
106.06557	3.8
107.04941	6.6
109.10152	6.2
117.03381	32.8
117.05779	3.5
118.66192	2.1
121.44711	2.0
127.07542	6.2
130.06483	6.3
131.04910	16.0
131.06972	3.4
132.08101	7.7
133.02872	3.3
135.04420	59.8
136.04710	2.4
139.33731	2.5
145.02847	23.5
163.01846	3.1
163.03896	71.6
163.07565	4.1
163.11125	5.6
163.12306	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62244	1.0
53.03942	1.8
55.01876	5.6
55.05514	6.3
57.03437	1.4
57.07060	4.6
57.67960	1.0
65.03920	2.1
67.05517	6.4
68.85776	1.2
69.03418	2.9
69.07072	2.8
69.36363	2.1
69.36768	3.1
71.04995	2.4
77.03940	2.5
77.97136	1.1
79.05501	27.7
81.07065	42.2
83.04990	1.5
83.08623	1.6
84.08131	1.8
85.02897	2.4
89.03908	2.9
89.06020	3.3
91.04951	1.6
91.05489	18.9
93.07051	58.5
94.07380	1.1
95.04971	8.7
95.08604	4.4
103.05466	15.8
105.03386	3.2
105.04517	2.0
105.07035	35.9
106.06586	5.2
106.07248	1.3
107.04946	3.4
107.08601	27.3
108.86008	1.1
109.06525	12.8
115.05457	1.3
115.36962	1.1
117.03399	2.5
117.05798	2.7
117.07015	11.2
119.08586	42.5
121.06508	8.1
121.10151	60.4
122.09685	2.3
122.10429	1.2
123.08051	1.4
127.07563	9.2
130.06520	9.3
130.07787	8.3
131.04939	14.3
132.08110	11.4
133.02856	2.3
133.06516	1.7
133.10150	1.7
135.04411	5.3
135.08072	5.9
135.11685	8.4
136.44270	1.0
143.08556	2.3
145.02876	1.5
145.10136	74.6
146.10487	1.6
148.08806	1.7
163.03891	13.3
163.07532	7.9
163.11182	100.0
163.12335	10.9
163.14799	5.9
164.07045	2.2
164.11552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.62244	1.0
53.03942	1.8
55.01876	5.6
55.05514	6.3
57.03437	1.4
57.07060	4.6
57.67960	1.0
65.03920	2.1
67.05517	6.4
68.85776	1.2
69.03418	2.9
69.07072	2.8
69.36363	2.1
69.36768	3.1
71.04995	2.4
77.03940	2.5
77.97136	1.1
79.05501	27.7
81.07065	42.2
83.04990	1.5
83.08623	1.6
84.08131	1.8
85.02897	2.4
89.03908	2.9
89.06020	3.3
91.04951	1.6
91.05489	18.9
93.07051	58.5
94.07380	1.1
95.04971	8.7
95.08604	4.4
103.05466	15.8
105.03386	3.2
105.04517	2.0
105.07035	35.9
106.06586	5.2
106.07248	1.3
107.04946	3.4
107.08601	27.3
108.86008	1.1
109.06525	12.8
115.05457	1.3
115.36962	1.1
117.03399	2.5
117.05798	2.7
117.07015	11.2
119.08586	42.5
121.06508	8.1
121.10151	60.4
122.09685	2.3
122.10429	1.2
123.08051	1.4
127.07563	9.2
130.06520	9.3
130.07787	8.3
131.04939	14.3
132.08110	11.4
133.02856	2.3
133.06516	1.7
133.10150	1.7
135.04411	5.3
135.08072	5.9
135.11685	8.4
136.44270	1.0
143.08556	2.3
145.02876	1.5
145.10136	74.6
146.10487	1.6
148.08806	1.7
163.03891	13.3
163.07532	7.9
163.11182	100.0
163.12335	10.9
163.14799	5.9
164.07045	2.2
164.11552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03945	1.2
55.01864	1.2
55.05506	6.0
57.03435	1.4
57.07070	4.0
66.59090	0.8
69.03435	4.6
69.07050	1.3
70.62157	1.2
77.03919	1.7
79.05487	11.3
80.05022	0.9
81.07043	1.8
84.08121	1.0
85.02912	1.8
89.03955	1.1
89.06030	3.2
89.38548	0.8
91.05477	17.4
93.07043	45.8
95.04978	5.5
95.08589	1.2
103.05466	8.7
105.03396	1.2
105.04512	2.0
105.07026	17.5
106.06552	3.0
107.04948	2.1
107.08589	89.2
108.08939	1.4
109.06512	3.7
115.05473	1.4
117.03418	1.0
117.05800	0.9
117.07037	3.4
119.06041	1.9
119.08569	10.2
119.74875	0.9
120.08096	1.0
120.09344	2.7
121.06537	1.9
121.09290	1.6
121.10140	14.6
130.06514	4.8
130.07784	3.3
131.04900	8.8
132.08084	7.3
133.02887	1.7
133.10156	1.1
135.04419	3.0
135.08032	1.9
135.11688	100.0
136.12057	1.8
137.09648	0.8
145.02831	1.0
145.10120	11.6
163.03912	7.9
163.07561	3.7
163.11186	21.1
163.12349	4.8
164.07083	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03954	5.6
53.62221	1.1
55.01876	27.7
55.05512	11.9
57.03445	6.9
57.07078	2.1
65.03939	3.1
65.38479	1.1
67.05160	1.9
67.05505	29.9
69.03426	9.1
69.07070	13.4
69.38906	5.3
71.04980	2.3
71.32481	1.1
71.81625	1.1
74.20084	1.1
77.03921	3.9
77.26685	1.2
79.05493	70.4
80.05009	1.6
81.03423	8.4
81.06566	1.3
81.07058	26.7
83.04971	7.3
84.08159	1.7
89.03896	1.2
89.06039	1.4
91.05482	42.8
93.07045	85.5
95.04969	20.8
95.08020	1.7
95.08603	26.4
97.06539	3.2
103.05467	9.5
105.03393	2.1
105.04517	4.1
105.07030	40.1
106.06560	3.4
107.04958	28.4
107.08591	63.1
109.06528	5.7
115.05438	5.8
116.06236	4.7
117.05717	3.4
117.07014	45.5
119.08579	26.4
120.05735	1.7
121.06509	24.2
121.09364	1.6
121.10146	12.0
128.06190	1.8
130.06538	7.4
130.07785	13.2
131.04913	4.9
132.08073	8.9
133.06494	1.6
133.10144	6.8
134.07262	1.4
135.04436	2.6
135.08078	10.2
135.11694	43.0
143.08533	5.0
145.10123	71.3
148.08841	1.7
163.03897	5.7
163.07552	2.4
163.11172	100.0
163.12331	10.0
164.07082	1.8
164.11490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11590	0.5
59.84538	0.5
69.29901	2.5
69.44070	0.5
82.99844	7.4
97.45322	0.5
100.02486	1.2
101.00878	61.5
102.00995	1.4
111.00446	0.8
119.01918	100.0
120.02026	2.1
124.02448	13.1
131.21188	0.5
131.25587	0.4
137.01904	0.7
137.02953	14.3
142.03497	94.8
143.03572	2.7
160.03246	1.1
160.04555	17.0
165.05125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00481	0.4
52.99732	0.4
61.01131	0.4
71.18079	0.6
82.01438	1.2
82.99841	6.1
100.02477	0.9
101.00877	62.4
102.00961	1.3
111.00438	0.5
116.96524	0.4
119.01914	100.0
120.01975	2.4
121.02348	0.5
124.02448	11.0
124.34163	0.4
125.02538	0.5
137.02953	14.0
138.02931	0.4
142.03494	90.4
143.03632	2.2
160.04549	16.0
165.05135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13027	0.4
68.00378	0.4
70.68779	0.7
82.01448	0.8
82.99839	6.2
100.02443	1.2
101.00879	56.0
102.01008	0.8
119.01917	100.0
120.02046	2.7
121.02331	0.9
124.02451	13.1
137.01901	0.9
137.02959	16.1
142.03497	95.8
143.03659	2.3
153.95949	0.5
154.43532	0.4
160.04550	17.7
165.05121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07441	0.4
59.27984	0.4
59.95722	0.5
62.90574	0.4
70.59856	1.0
76.97102	0.5
82.01450	0.8
82.99843	7.4
89.02224	0.5
100.02505	1.1
101.00887	61.2
101.94928	0.5
102.00953	1.1
119.01929	100.0
120.01976	2.3
124.01551	0.7
124.02465	13.8
137.02965	15.8
137.03970	1.0
142.03508	95.5
143.03633	1.8
160.04576	16.7
164.91968	0.5
165.05124	1.1
171.34564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	1.1
55.05508	8.7
57.03420	2.2
57.07072	5.5
59.05006	1.1
65.03931	0.8
67.05503	9.3
67.84516	0.8
69.03418	3.1
69.07070	11.1
71.05003	1.5
71.26078	1.0
77.02863	0.9
79.05487	10.3
81.07053	28.7
81.18772	0.8
82.99840	3.7
83.04964	1.9
83.08595	1.6
83.61415	0.7
91.05466	10.8
93.07043	10.5
95.04950	7.1
95.08599	30.6
97.06525	1.6
100.02466	0.9
101.00869	38.0
103.05471	1.1
105.07024	20.8
105.07732	1.3
107.04952	0.8
107.08584	19.9
109.06511	18.6
109.10148	7.1
110.07304	5.1
111.08108	1.8
119.01912	100.0
119.04922	4.3
119.08573	20.4
120.02009	3.2
120.08082	2.4
121.10142	16.2
123.04419	1.3
123.08068	20.6
123.11691	10.9
124.02455	8.1
133.06499	3.0
137.02948	23.4
137.05936	4.4
137.09584	4.9
137.13245	17.3
142.03490	86.5
143.03653	3.8
147.04391	7.1
147.08054	2.4
147.10611	0.7
147.11678	18.2
150.10381	1.1
159.25691	0.8
160.04547	22.9
165.05206	2.8
165.07541	1.2
165.09084	2.9
165.12746	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.02857	0.6
52.87659	0.6
56.00751	0.5
65.03912	0.8
66.04726	0.7
69.44381	2.9
78.04713	12.0
79.05499	6.2
81.07050	1.6
84.96050	3.5
84.99598	0.9
91.05493	0.8
95.04966	2.3
96.05701	1.0
98.22661	1.2
98.98442	0.7
103.00636	3.2
105.03386	1.5
105.04527	0.9
106.03622	0.7
106.04195	7.4
107.04964	7.0
109.06541	0.7
114.30446	0.5
120.02029	1.5
121.01674	7.6
122.03671	3.9
123.04438	22.9
124.05219	7.2
126.02301	0.6
134.03629	2.4
135.04396	0.8
137.05940	0.8
139.02704	1.3
144.03233	6.8
151.03899	4.3
152.04698	6.7
155.69064	0.9
162.04309	1.7
167.07042	100.0
168.07367	2.5
170.96635	0.7
173.65707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03936	0.6
55.05505	0.6
65.03944	0.7
66.04707	0.6
66.88745	0.5
70.78390	0.7
77.03930	0.7
78.04714	14.3
79.05495	8.0
81.07041	1.2
84.96049	3.5
91.05514	0.9
94.04164	0.6
95.04975	1.8
96.05744	0.9
103.00640	3.2
103.01215	0.6
105.03399	0.8
105.04506	1.2
106.04176	7.9
107.04959	7.2
121.01675	7.7
122.03637	3.3
123.04435	23.3
124.05218	8.3
125.06013	0.8
126.02199	1.1
134.03622	2.0
135.04387	0.9
137.05962	1.0
139.02701	1.9
144.03217	8.0
148.30855	0.5
151.03911	4.6
152.04701	5.3
162.04318	1.9
167.07040	100.0
168.04190	0.7
168.07391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
55.01875	0.9
55.05508	0.3
65.03927	1.7
67.05520	0.4
68.33703	0.2
69.03415	0.3
69.53815	0.6
73.02914	9.5
78.04715	0.5
79.05492	1.2
81.03423	0.3
81.07050	0.5
83.04978	0.4
84.96028	1.5
85.06149	0.2
91.05478	1.2
91.62476	0.2
93.07021	1.6
95.04971	2.8
95.08612	0.4
97.06541	0.3
103.00646	2.2
103.01273	0.4
103.05454	0.6
104.67937	0.2
105.04464	0.3
105.07021	0.2
106.04197	0.3
107.04946	0.8
107.08601	1.0
108.04462	0.5
109.06520	0.5
111.04433	1.9
119.04925	2.9
120.02021	0.3
121.01723	5.7
121.02859	100.0
121.06479	4.6
121.08395	0.4
121.10143	0.8
122.03133	1.4
123.04399	0.7
125.06023	0.2
126.02203	0.7
128.05325	0.2
139.02679	2.0
139.03778	0.5
139.07494	0.4
143.03554	0.3
144.03218	5.7
144.04231	0.3
149.02296	0.5
149.05969	23.7
150.06380	0.3
162.04260	1.5
167.03395	0.4
167.07013	7.7
167.08139	0.4
167.10672	0.6
168.17473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03939	0.5
65.03925	0.4
66.04708	0.5
67.05495	0.7
70.85068	0.3
77.03948	0.4
78.04707	12.1
79.05492	3.0
81.03397	0.5
81.07046	1.0
82.94844	0.6
83.04960	0.3
83.35262	0.3
83.83358	0.3
84.96031	1.1
84.99556	0.3
90.50579	0.3
91.05474	0.6
93.07046	1.0
94.04179	0.8
95.04961	3.3
96.05733	1.0
97.06495	0.4
103.00642	2.1
103.01211	0.4
105.03364	0.9
105.04500	0.6
106.04165	6.5
107.04973	1.4
109.02888	0.4
109.06527	0.6
120.02061	0.6
121.01665	8.2
121.02509	0.6
121.06537	0.7
121.07660	0.4
121.08418	1.7
122.03636	2.7
123.04421	23.0
124.05216	6.4
125.07114	0.4
126.02180	0.6
126.69650	0.3
134.03615	1.9
135.04408	0.6
137.05974	1.2
139.02676	2.1
139.07504	0.6
144.03209	6.1
149.02301	0.6
149.07127	0.3
151.03886	5.0
152.04665	5.2
162.04272	1.8
167.07024	100.0
168.04185	0.6
168.07355	1.8
171.85663	0.3
189.77469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03958	1.6
55.01876	1.8
55.05507	2.9
55.17152	0.9
55.58819	0.8
57.03436	2.4
57.07077	1.7
59.04999	2.6
65.03913	1.0
67.05505	4.7
69.03443	1.7
69.07065	3.5
70.34982	1.7
71.04992	3.2
73.02932	0.8
73.06554	1.0
75.04483	6.9
77.03931	1.7
78.04710	4.2
78.53168	0.7
79.05495	18.3
81.07054	16.8
81.07505	1.3
81.21049	0.8
83.04974	2.1
83.08634	1.2
84.96038	7.1
85.06522	1.0
87.04452	0.9
91.05482	14.1
93.07042	100.0
95.04967	6.7
95.08602	11.9
97.06522	4.1
102.97078	0.8
103.00639	8.1
105.04521	2.7
105.07024	12.8
106.04208	1.2
107.04945	6.7
107.08586	12.3
108.04455	0.8
109.06515	3.0
109.10161	1.4
111.04413	1.6
111.08080	21.3
119.08579	2.2
120.02040	1.4
121.01665	29.2
121.02511	1.6
121.06511	4.0
121.10142	93.1
122.03666	1.7
122.10431	1.3
123.04440	7.4
123.08059	3.4
123.11670	5.6
124.05206	3.2
125.05996	4.8
125.09623	1.7
126.02180	1.7
131.08563	2.0
133.07576	1.5
135.04491	1.0
139.02684	8.8
139.11172	8.1
144.03220	21.1
149.02283	1.1
149.09627	8.3
149.13278	2.3
151.03876	1.7
152.04675	2.7
162.04279	7.3
167.07019	33.4
167.08218	2.2
167.10640	10.5
167.11867	0.8
167.14250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	1.1
55.01865	0.6
55.05507	2.4
57.03440	2.4
57.07052	0.7
59.04985	1.0
60.58912	0.4
60.72131	0.4
61.36656	0.5
67.05502	2.1
69.03447	0.9
69.07043	1.2
75.04477	6.0
77.03926	1.8
78.04713	1.1
79.05494	10.7
81.07052	11.0
83.04978	1.6
84.26495	0.5
84.96036	2.8
84.99616	0.6
87.04483	1.3
91.05479	12.1
93.07038	100.0
95.04976	5.4
95.08593	6.7
97.06527	1.7
103.00623	3.5
103.05466	1.0
105.04505	2.7
105.07019	10.1
106.07838	0.7
107.04938	1.5
107.08585	7.3
108.37793	0.5
109.06490	0.9
111.04436	0.9
111.08076	21.5
119.06042	0.6
119.08570	2.4
121.01668	9.4
121.06493	1.7
121.10138	73.9
122.05994	0.6
122.10493	0.6
123.04424	1.4
123.08059	2.3
123.11703	2.1
124.05184	0.5
125.05989	2.2
125.09665	0.7
126.02180	1.1
131.08588	1.6
133.07628	2.1
139.02695	2.3
139.11172	6.6
144.03203	7.7
149.09615	5.7
152.04636	0.6
162.04311	2.1
167.07028	6.2
167.08327	1.0
167.10663	7.4
167.15475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.05509	35.8
57.03429	7.3
57.07063	5.2
65.03939	2.2
67.05160	3.4
67.05502	49.7
69.07066	100.0
71.04992	14.6
72.35545	2.3
74.72744	1.7
79.05495	22.3
81.07054	63.6
81.84187	1.7
83.04982	4.2
83.08618	81.9
84.96036	10.5
85.06553	8.5
91.05471	6.4
93.07043	44.1
95.08611	10.3
97.06533	16.6
97.10167	4.9
99.08104	3.2
103.00635	10.9
105.06982	1.8
107.04972	1.7
107.08595	39.0
109.10159	6.4
111.08071	25.3
113.91913	2.0
121.01668	29.1
121.02421	2.8
121.10146	17.1
123.11682	4.9
125.09636	5.3
136.41203	1.7
139.02699	5.9
144.03221	22.7
149.13255	85.1
150.13660	1.9
162.04301	5.8
167.06979	3.9
167.08276	2.1
167.10632	2.7
167.14310	85.8
168.10193	2.3
170.64043	2.1
187.31219	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
55.05510	5.1
57.03421	1.3
57.07067	1.7
65.03945	0.9
66.83399	0.6
67.05503	15.3
69.03435	0.7
69.07062	9.8
70.54501	1.3
71.04977	1.9
78.04708	0.8
79.05491	5.7
81.07053	13.7
83.04952	1.2
83.08618	6.0
84.96049	3.7
85.06528	1.2
91.05476	6.8
93.06444	1.2
93.07041	24.3
93.97148	0.6
95.04982	1.7
95.08606	9.8
97.06527	9.9
97.10153	0.8
103.00640	4.2
103.96539	0.6
105.07026	6.5
107.04971	1.4
107.08590	100.0
108.08876	1.0
108.74167	0.6
109.06504	2.4
109.10152	54.6
111.08079	9.2
119.06089	1.4
119.08578	0.6
120.02063	0.8
121.01682	9.3
121.06512	0.7
121.10143	44.6
122.10499	0.9
123.04468	1.0
123.08060	1.2
123.11709	5.2
125.09686	0.8
126.02171	1.0
139.02739	2.5
139.11237	0.6
144.03238	11.3
149.09560	1.7
149.13249	28.5
152.04716	0.8
162.04343	2.3
167.07016	8.3
167.08307	1.2
167.10703	1.8
167.14287	9.5
174.85641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
55.05507	5.3
57.03422	1.2
57.07071	2.2
67.05505	14.8
69.07063	10.2
69.58665	1.0
69.58999	2.7
71.04993	1.5
71.34534	0.7
79.05492	5.9
81.07054	16.5
83.04992	1.7
83.08610	7.0
84.96022	3.4
85.06538	1.3
91.05473	6.9
93.07041	22.5
95.04971	1.1
95.08599	10.1
97.06526	8.0
97.10196	1.3
103.00631	3.3
105.07034	7.4
107.08589	100.0
108.08932	1.1
109.06496	2.6
109.10152	52.8
110.10455	0.9
111.08077	10.7
119.06052	1.6
121.01677	8.0
121.10137	43.4
122.10455	0.8
123.04419	1.6
123.11704	5.9
125.09562	0.9
139.02655	1.3
144.03214	6.6
149.09608	1.1
149.13248	26.0
150.13557	1.0
162.04283	1.1
167.07034	4.3
167.08290	0.9
167.14319	9.9
168.13737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03943	3.6
55.05512	13.1
57.03412	3.6
57.07071	6.3
59.05001	4.3
67.05499	26.8
69.03425	3.2
69.07063	19.5
69.32998	9.6
71.04991	39.3
73.06553	19.0
77.97237	2.4
78.04707	6.2
79.05481	20.5
79.87745	2.6
81.07054	41.1
83.04967	3.9
83.08621	9.9
84.96027	13.9
85.06539	3.7
88.05236	2.1
91.05489	6.7
93.07037	41.9
95.04977	5.5
95.08601	100.0
97.06525	4.9
103.00668	11.5
103.01279	2.1
105.07015	3.0
106.04123	3.3
107.04907	3.0
107.08588	66.2
109.06541	2.9
109.10145	33.4
111.08102	3.4
120.36775	2.5
121.01664	35.3
121.06551	2.8
121.07590	2.9
121.08447	2.7
121.10123	26.9
123.04411	13.5
123.11708	7.6
124.05207	5.4
125.09605	5.8
126.02228	4.7
139.02710	7.7
144.03198	27.2
149.13251	42.7
152.04663	4.0
153.07805	2.4
160.09764	2.5
162.04315	6.2
167.04855	2.8
167.07016	67.8
167.14304	15.6
168.10176	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05507	6.1
57.03413	1.4
57.07055	1.5
67.05495	13.9
69.07064	10.1
71.04980	2.0
78.04701	2.2
79.05492	9.7
81.07052	13.9
83.04952	2.3
83.08604	4.7
84.75529	0.9
84.96024	9.3
91.05472	7.8
93.07038	22.3
95.04945	1.3
95.08601	9.9
95.54929	1.0
97.06522	9.5
97.10159	2.0
103.00607	8.2
105.07030	5.8
106.04179	2.3
107.04953	3.3
107.08585	100.0
108.08862	1.4
109.06508	2.9
109.10146	46.0
111.08083	8.3
119.06033	1.4
119.08588	1.3
120.02003	1.1
121.01648	22.5
121.07666	1.4
121.09262	2.3
121.10135	43.6
122.10437	1.0
123.04427	5.8
123.11681	4.3
124.05173	1.1
126.02153	1.8
139.02663	5.6
144.03221	21.5
144.04221	1.4
149.02420	1.3
149.09850	0.9
149.13246	26.2
150.13603	0.9
152.04671	1.0
162.04271	4.9
167.04819	1.2
167.05728	1.8
167.07036	24.3
167.08336	1.2
167.14323	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.03951	0.9
55.01872	3.3
55.05511	25.0
56.05032	1.0
58.06605	0.5
65.03934	0.6
67.05499	2.4
68.05008	0.6
69.03427	0.6
69.07067	60.6
70.06588	2.7
70.07400	1.0
71.04998	0.9
71.08626	2.8
72.08154	17.9
78.03436	0.5
79.05502	1.1
81.03426	0.4
81.07044	3.1
82.06571	3.6
83.04992	3.5
83.08615	6.9
84.04502	7.6
84.08118	0.7
84.34800	0.4
85.06552	0.7
91.05493	0.5
93.07033	0.7
94.06551	0.4
94.07400	0.4
95.04995	0.5
95.08589	1.0
97.06529	10.3
98.06057	8.1
98.06746	0.5
98.09702	6.0
105.07030	0.7
107.08599	0.6
108.04485	1.2
108.08124	1.2
108.08884	0.8
109.06523	1.4
109.10151	8.4
111.04468	0.6
111.08080	0.4
114.09171	6.3
121.01691	1.1
122.06020	0.6
123.08051	0.5
123.11687	0.9
124.07513	0.4
125.06036	0.4
126.05511	1.0
126.09152	39.0
127.09479	0.5
140.07053	0.4
141.05429	0.4
145.03589	0.5
150.05559	1.0
151.11205	1.0
154.04936	0.5
163.97745	0.6
168.06380	0.7
168.07523	1.1
168.13835	100.0
168.15741	8.9
169.14125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1748
Annotation	Cermizine C
Peak:m/z	Relative Intensity
55.05497	0.8
56.77887	0.2
58.06593	0.6
59.78373	0.2
65.03925	1.3
67.05502	1.7
67.92501	0.3
69.07066	0.7
69.78783	0.2
69.79122	0.6
79.05474	0.2
81.07047	1.8
82.94851	0.3
93.03387	0.8
95.08596	3.0
98.09685	5.5
108.04501	0.3
109.10142	0.8
110.03651	0.4
111.04430	1.8
122.05975	0.3
125.06015	0.6
126.12798	0.3
150.05428	0.4
151.03891	0.5
168.17465	100.0
169.17812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20011	0.4
52.67127	0.3
57.03441	7.7
65.84486	0.3
69.11938	1.8
73.14758	0.3
75.57599	0.3
76.10410	0.3
90.64550	0.3
94.84657	0.3
98.23440	0.6
113.00018	100.0
131.01047	0.7
139.01544	0.9
143.56857	0.3
149.34074	0.3
154.02664	0.6
169.02618	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03921	0.4
55.01854	0.4
55.05514	1.7
56.05037	0.4
56.96568	1.0
57.03443	0.5
58.06607	0.7
59.05001	0.5
63.74157	0.4
64.17360	0.4
64.35341	0.4
65.03938	50.8
67.05499	3.8
68.01761	0.4
69.03417	0.5
69.07057	0.9
70.06586	0.5
70.77438	0.6
71.04974	0.9
71.48387	0.4
75.64420	0.3
76.31814	0.4
79.05490	1.0
81.03411	1.6
81.07055	4.5
85.08742	0.4
85.94615	1.0
91.00735	0.4
91.05502	0.6
93.03400	29.8
93.07044	2.6
95.04948	1.9
95.08596	4.2
96.08953	0.5
98.09688	5.5
99.04473	0.5
99.10036	0.7
103.95658	0.8
105.04497	0.4
105.07018	0.8
107.04962	0.8
107.08580	1.1
108.02110	0.9
109.02867	2.0
109.06529	1.1
109.10139	1.8
110.03654	10.0
111.04438	91.6
111.08078	3.8
112.04775	0.7
113.06014	0.5
121.01630	0.4
123.04434	0.9
123.08050	0.7
123.11695	1.3
124.05217	0.5
125.05986	29.5
126.03153	0.7
134.06020	1.0
137.02292	0.5
141.05463	2.4
145.96651	0.8
146.96109	0.6
151.03902	17.8
151.04964	1.0
151.07550	1.3
151.08641	0.7
151.11139	0.8
152.03389	0.7
152.07082	0.7
163.97757	1.9
168.17471	100.0
169.04944	9.7
169.07407	0.6
169.09802	1.0
169.17818	23.8
186.71858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03966	0.8
55.01874	1.0
55.05511	5.3
56.96566	0.6
57.03434	1.4
57.07083	4.6
58.36473	0.7
59.05006	1.8
65.03939	2.1
67.05509	9.5
69.03428	9.9
69.07072	4.4
71.05009	6.9
71.08638	6.9
72.08161	3.1
79.05495	2.9
81.03416	1.9
81.07061	19.7
83.04986	4.5
83.08611	1.6
84.31403	0.7
85.02907	1.2
85.06549	20.7
85.07058	1.1
87.04473	0.7
88.85565	0.6
91.05467	1.7
93.07048	4.3
95.04968	4.1
95.08611	4.9
97.06526	2.1
98.09678	1.2
99.04477	1.8
99.08093	10.8
105.07030	2.9
107.08603	5.3
109.02894	1.6
109.06533	6.3
109.10165	16.8
110.06061	0.8
111.04449	2.5
111.08086	4.3
112.10033	1.2
113.05990	3.4
116.10735	2.2
119.08575	0.7
121.10145	5.5
123.08060	4.3
123.11718	17.8
123.12631	0.9
125.05996	0.8
125.09643	1.5
128.10724	1.9
128.95024	1.1
133.10152	2.3
137.02324	1.9
139.11188	5.7
141.05478	1.6
151.07561	0.8
151.08684	1.2
151.11172	8.2
163.97736	1.6
169.05031	1.5
169.06342	1.2
169.07617	2.3
169.10020	1.1
169.12260	20.2
169.17010	100.0
170.15404	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0925
Annotation	3-Methyl-L-histidine
Peak:m/z	Relative Intensity
54.03463	0.8
55.05513	0.9
55.70545	0.4
56.05035	2.1
56.44165	0.4
56.96565	3.7
60.02160	0.5
63.28961	0.5
63.90845	0.4
67.04272	0.5
68.05020	5.0
69.03412	0.8
70.06584	1.1
72.04525	0.8
72.08141	1.3
73.02919	1.2
77.40894	0.5
79.05502	0.4
81.03410	1.1
81.04536	1.5
82.06580	1.8
83.06099	7.4
84.04501	0.5
84.96006	0.7
85.02912	0.5
85.07660	1.8
93.05771	0.5
95.06087	11.0
96.06866	100.0
97.02911	0.6
97.07652	22.1
98.06065	1.6
100.02502	0.7
100.07617	0.6
101.00860	2.3
102.00964	0.5
103.00645	1.0
103.02446	2.1
105.02120	0.7
106.06637	0.7
107.04972	0.6
109.02880	3.1
109.07632	73.5
110.03637	1.3
110.07169	2.2
110.08414	0.9
111.04464	0.5
111.09199	1.3
114.05514	2.4
117.70061	0.5
119.01893	4.8
120.01058	0.4
120.02000	1.9
121.01685	2.5
121.02428	0.4
121.03460	0.9
123.99135	0.7
124.07604	1.4
124.08707	5.2
125.07103	9.4
125.07985	0.8
125.95636	0.6
126.10266	26.0
127.10587	0.5
127.12283	2.8
128.07019	0.6
128.95100	0.5
129.02055	0.7
129.03873	0.5
133.01643	2.2
134.06010	7.5
135.04387	0.5
137.02936	0.7
138.03053	0.5
139.08650	6.0
142.03494	1.6
142.04962	2.3
143.03654	0.5
146.02968	1.5
147.01482	2.8
147.03145	2.4
147.04987	1.1
152.05957	0.5
152.07060	13.5
152.10692	1.6
153.06551	4.5
158.04143	1.6
164.04034	0.6
165.04137	1.1
167.04732	0.6
170.02946	2.4
170.09245	79.3
170.11708	3.0
171.07597	0.9
171.09726	0.9
171.11269	2.0
171.14925	0.6
188.09448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	(+)-Epilupinine
Peak:m/z	Relative Intensity
53.03951	0.3
55.05508	7.9
56.96563	0.4
57.07064	0.3
62.37157	0.3
69.07060	0.4
70.06584	0.3
70.58309	0.5
71.04986	0.8
71.08628	42.7
72.04502	0.6
72.08152	18.2
74.06088	1.5
77.76543	0.3
79.05476	0.3
81.07043	0.8
83.08622	0.4
88.07602	1.3
89.07154	0.4
97.06499	0.3
98.09668	0.3
98.22756	0.3
99.08088	61.3
100.08408	0.5
107.08603	0.4
109.07579	0.3
116.10725	13.8
128.10710	9.7
128.95073	1.0
146.11714	0.8
146.96101	0.4
152.07040	0.3
157.30478	0.3
170.15390	100.0
170.17241	8.5
171.15700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29079	15.4
52.78045	15.0
74.17785	13.2
74.78510	14.3
83.43987	13.1
94.30238	15.5
96.06870	52.8
96.92216	30.0
98.08026	14.7
98.55384	16.7
112.89624	100.0
114.32437	13.8
117.68482	16.2
125.07133	24.6
149.86449	13.3
155.25186	17.6
171.07643	57.1
171.09593	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48373	22.5
60.28765	24.3
69.05929	25.9
70.08887	69.0
77.11430	25.6
96.06882	96.3
97.07203	28.8
98.23443	35.4
101.00926	32.9
112.89610	89.3
125.07126	42.8
130.17606	25.8
171.01668	31.4
171.07661	100.0
171.09593	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.21151	0.6
55.01863	2.4
55.05508	7.4
56.24644	0.7
63.03424	0.7
65.03939	21.4
67.05486	3.6
68.02665	0.7
68.99783	7.3
69.03413	2.2
69.07048	2.5
70.06595	0.7
70.62008	1.0
70.94248	3.2
71.04973	0.9
72.04135	1.4
72.04512	19.0
73.06539	1.6
79.05503	1.2
79.67565	0.6
81.03394	4.0
81.07040	1.4
83.04977	10.7
83.08620	5.8
84.08132	0.8
85.02908	1.4
86.09691	2.0
88.95295	3.2
89.07153	16.8
90.94318	0.7
93.03408	7.6
93.07057	1.4
95.08618	0.9
96.02102	1.1
96.06865	1.7
97.02886	2.2
97.06527	1.9
98.97578	2.0
101.05980	0.9
107.08592	1.2
109.02843	0.7
109.06497	0.9
109.10133	0.9
111.04438	86.0
111.08090	1.2
112.04739	1.1
112.07584	0.8
116.98623	1.9
121.02950	1.9
121.03971	11.0
125.06027	1.1
125.07069	1.7
125.09593	1.2
134.99597	1.4
135.08063	1.0
139.03894	100.0
140.04216	1.4
147.96596	1.4
148.97519	1.1
153.05391	0.7
153.06670	0.8
153.09105	0.8
165.97734	1.1
171.05293	1.5
171.06589	6.7
171.07744	1.8
171.13538	1.1
171.14912	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57286	0.2
54.76075	0.2
55.01893	0.2
56.96575	1.1
57.03444	0.5
61.41812	0.2
68.05027	0.2
68.29856	0.2
69.03436	0.3
70.06603	1.0
70.53754	0.2
71.01339	0.2
72.04537	0.2
81.18591	0.2
83.08659	0.2
85.02929	0.2
95.06100	0.4
96.06915	0.4
96.43932	0.2
97.02905	0.3
97.07224	0.2
98.97588	0.9
108.30524	0.2
109.07644	1.2
110.07660	0.2
110.08437	11.5
111.09218	20.2
112.09570	0.2
113.03439	0.2
116.98608	0.4
119.01900	0.3
128.11249	0.2
133.04961	0.2
135.06429	0.2
139.08673	100.0
140.09027	1.5
153.07364	0.2
168.99249	0.3
171.11296	29.6
172.11632	0.3
187.00270	0.7
189.03682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
55.01865	0.9
55.05254	1.1
55.05510	12.5
57.07067	2.0
59.04996	1.3
61.02925	2.7
67.05515	3.3
69.07072	8.1
71.04989	0.8
71.08635	47.1
72.04519	41.3
73.06566	0.7
73.15212	0.6
79.05508	1.4
81.06623	0.9
81.07065	10.2
83.04992	1.1
83.08624	10.7
85.06551	2.4
89.07159	34.0
93.07056	4.6
94.29707	0.6
95.08607	7.8
97.06533	8.3
99.08096	34.5
101.06022	5.4
103.26693	0.6
107.08593	4.8
109.10162	6.0
111.08083	8.4
135.11702	2.7
153.12749	4.6
154.24672	0.6
171.05470	0.8
171.13802	100.0
171.14996	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1173
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
53.99582	1.5
55.05508	24.7
57.03427	4.7
59.04997	11.9
66.60956	1.4
67.05501	100.0
68.47543	1.4
69.07059	2.2
71.04987	2.8
72.93772	6.8
77.68268	1.5
79.05481	2.3
81.07056	12.1
83.04985	12.0
83.08616	9.0
85.06537	2.6
90.90395	1.8
90.94833	6.1
91.05476	10.0
93.07011	4.3
95.08594	5.4
101.06026	10.2
105.07013	3.2
109.10149	81.9
111.04437	19.7
111.08057	3.7
115.05413	2.1
117.07012	5.5
119.08578	6.1
129.05476	4.3
129.06995	2.0
131.08563	18.2
131.97461	1.8
137.09647	2.1
141.68037	1.7
143.08504	2.7
144.09366	1.8
145.10126	7.4
149.96062	2.4
155.07027	9.9
155.10706	2.0
167.97214	2.3
173.05957	2.4
173.08119	21.1
173.09570	3.4
173.11702	7.6
173.13252	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.3
57.03428	4.2
59.05005	6.7
62.33966	1.0
66.63235	1.1
67.05501	100.0
69.07088	1.2
71.05001	2.2
72.93787	5.9
79.05490	2.3
81.07054	14.2
83.04977	10.7
83.08621	8.1
85.06548	2.5
85.09180	1.1
87.04470	2.1
90.94829	4.8
91.05022	1.0
91.05476	6.3
93.07039	2.6
95.08607	4.6
101.06012	10.1
105.07018	2.1
107.08595	1.9
109.10154	68.2
111.04433	14.7
111.08091	2.4
113.06045	1.3
115.05482	1.1
117.07024	2.8
119.08585	4.2
127.07578	1.8
129.05473	3.9
130.07797	1.4
131.08568	12.5
137.09602	2.4
143.08554	1.5
145.07584	1.4
145.10129	5.9
149.94048	2.5
149.96060	2.2
155.07040	10.1
155.08194	1.7
155.10652	2.0
158.10910	1.5
167.97145	1.9
173.05927	1.6
173.08165	14.0
173.09599	2.4
173.11755	5.3
173.13283	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27328	0.5
53.30419	0.5
55.05508	3.9
55.93512	0.5
56.05037	1.6
56.05851	1.0
56.96564	2.3
57.03439	1.8
57.04558	7.5
58.06594	0.7
59.00512	0.4
59.01378	0.7
59.05001	32.7
60.04529	0.7
60.05647	4.8
61.02927	0.6
62.49017	0.4
62.63642	0.5
68.05060	1.1
69.03436	2.8
69.07056	0.6
70.06592	15.0
70.95860	10.1
71.13240	0.5
71.29939	0.8
72.04544	0.9
72.08161	1.6
72.93785	9.3
73.06564	0.9
73.93816	0.6
74.02439	1.2
74.07207	2.4
79.00221	0.5
82.06591	0.7
82.11293	0.5
83.04982	1.0
84.05315	1.2
84.08136	0.9
85.06529	0.8
86.06059	8.2
86.09711	1.0
87.04469	0.8
88.96896	3.1
90.94825	4.2
91.05479	1.0
93.07002	0.5
97.02861	0.9
97.06516	1.0
97.07654	0.8
98.06026	1.8
98.97537	0.7
98.97764	0.6
98.98471	8.3
100.03957	1.2
100.07613	2.2
101.00895	0.5
101.06015	100.0
102.06351	1.6
108.95863	0.6
110.09673	0.7
111.04457	0.7
111.17968	0.5
111.98472	12.0
112.04773	1.4
112.07594	1.8
112.08658	0.5
113.96382	1.2
113.98637	0.6
114.05550	2.6
114.09172	1.0
114.94839	1.0
115.07542	3.9
115.09565	0.8
116.07090	4.7
116.98629	0.7
118.06542	0.7
118.08651	24.4
119.01913	2.2
120.02385	0.6
125.07119	3.8
128.07050	1.8
128.10724	2.5
129.99500	4.6
130.06558	0.6
130.09741	2.1
131.97427	3.9
131.99648	1.9
132.05177	0.6
132.06555	2.8
132.08087	1.8
132.95831	24.1
133.03462	1.3
133.95973	0.7
142.09723	1.3
146.05986	2.0
146.08121	1.4
149.96086	0.8
149.98477	2.8
150.00711	1.1
150.96887	33.0
151.04527	0.5
151.93919	1.1
155.97412	11.4
156.07378	1.2
156.10158	0.6
157.09737	0.6
158.09349	0.9
167.97102	1.0
168.97859	1.1
173.98494	11.2
174.05913	2.0
174.07616	4.0
174.12392	49.6
174.14894	2.4
175.04539	3.1
175.05820	0.5
175.08481	0.5
175.11929	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01868	3.0
55.05507	13.7
56.05032	1.5
57.03431	1.6
57.07085	2.4
58.45072	0.4
59.04997	0.7
67.05499	4.0
69.07064	29.9
69.67317	1.7
70.95850	1.6
71.04976	0.5
71.08620	0.8
72.93798	0.8
73.06550	1.4
79.05484	5.3
81.07059	6.2
83.04978	3.4
83.08620	1.3
91.05466	1.0
93.07035	13.0
95.08599	7.7
96.27450	0.5
97.06529	4.8
97.10160	11.0
98.98462	1.1
100.07610	0.6
101.06024	1.2
111.11723	2.1
111.98478	1.3
113.40027	0.5
114.75409	0.5
121.10139	7.5
131.18590	0.5
131.97504	0.6
132.06573	0.8
132.95825	3.2
138.12766	2.2
139.11160	4.6
146.05995	6.2
146.94370	0.5
150.96866	1.8
155.97453	1.3
156.13824	100.0
157.14154	0.9
157.32523	0.5
173.98457	0.7
174.05489	3.6
174.07419	0.7
174.14885	36.0
175.12277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66144	0.4
58.99860	1.2
70.99821	0.5
71.45901	0.3
73.06536	0.4
77.00872	0.9
79.83863	0.3
82.99854	1.4
85.01400	6.0
89.01736	0.4
89.93521	0.3
94.63666	0.4
94.97450	0.3
98.97598	2.7
98.98460	11.2
100.02491	0.7
101.00879	10.9
101.01543	0.7
102.00976	0.8
103.02439	21.1
104.02552	0.4
105.07043	0.4
113.00871	0.8
115.02425	6.3
115.04124	0.4
116.01955	0.8
116.97236	0.8
116.98634	2.5
116.99395	0.4
118.03506	0.7
119.01913	39.7
119.48999	0.5
120.02050	1.6
121.01662	1.6
121.03469	7.7
127.02440	0.9
127.53410	0.4
128.49490	1.3
128.99524	0.5
130.99731	0.5
131.01929	2.2
132.05037	0.7
133.03461	50.7
133.05173	3.3
134.02844	2.7
134.04816	0.5
134.99631	1.9
136.04544	0.7
137.02945	12.2
137.50026	2.4
138.00052	0.6
139.02710	0.4
140.00240	1.8
140.50282	0.6
141.00214	0.5
142.03516	1.0
145.03456	14.9
148.03900	0.5
149.00815	2.3
149.02980	0.4
150.00768	0.4
151.04509	21.0
151.06248	0.9
156.05078	1.0
156.96460	0.4
157.03468	3.9
157.04779	0.6
157.05179	0.5
160.04413	0.4
162.91737	0.4
163.04506	5.7
174.97581	1.5
175.04517	100.0
175.06200	8.1
175.98499	0.4
176.02502	0.5
176.04562	2.2
176.05948	1.0
193.05569	3.4
193.07388	2.0
194.04945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1079
Annotation	N-alpha-Acetyl-L-ornithine
Peak:m/z	Relative Intensity
60.04534	0.4
60.05649	12.5
70.06591	100.0
71.05004	0.7
71.06925	0.6
72.08153	3.1
78.52494	0.3
82.99840	0.3
84.08144	1.0
85.01414	1.2
88.07647	0.5
97.07603	0.3
98.06033	1.1
98.98466	1.8
101.00887	3.5
103.02443	2.5
112.07602	41.0
112.08788	1.1
113.07906	0.3
115.02441	0.9
115.08676	1.4
116.07088	17.0
119.01915	8.7
124.53876	0.3
129.10248	2.9
130.08727	0.6
130.09731	4.4
132.02122	5.0
133.03468	6.3
137.02960	1.5
144.13820	0.4
145.03476	1.7
151.04506	1.7
157.03493	0.4
157.10881	0.5
158.08093	0.5
158.09259	2.9
161.02933	0.5
163.04521	0.5
170.65395	0.3
175.04533	10.8
175.06041	0.7
175.10716	3.0
175.11931	8.7
176.01070	0.8
179.03917	0.4
193.05594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04534	0.4
60.05649	12.5
70.06591	100.0
71.05004	0.7
71.06925	0.6
72.08153	3.1
78.52494	0.3
82.99840	0.3
84.08144	1.0
85.01414	1.2
88.07647	0.5
97.07603	0.3
98.06033	1.1
98.98466	1.8
101.00887	3.5
103.02443	2.5
112.07602	41.0
112.08788	1.1
113.07906	0.3
115.02441	0.9
115.08676	1.4
116.07088	17.0
119.01915	8.7
124.53876	0.3
129.10248	2.9
130.08727	0.6
130.09731	4.4
132.02122	5.0
133.03468	6.3
137.02960	1.5
144.13820	0.4
145.03476	1.7
151.04506	1.7
157.03493	0.4
157.10881	0.5
158.08093	0.5
158.09259	2.9
161.02933	0.5
163.04521	0.5
170.65395	0.3
175.04533	10.8
175.06041	0.7
175.10716	3.0
175.11931	8.7
176.01070	0.8
179.03917	0.4
193.05594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1194
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
56.96575	1.3
58.99888	0.4
60.05657	39.1
69.73438	0.7
70.06599	100.0
70.99860	0.4
71.04993	2.0
71.06943	0.4
72.08163	5.7
74.43215	0.3
77.13610	0.4
82.99873	0.4
84.08151	3.5
85.01417	3.0
86.06101	0.4
88.07652	0.7
89.13880	0.4
94.89386	0.3
97.02894	0.4
97.07674	0.9
98.06057	0.8
98.97594	6.2
98.98481	3.2
101.00886	6.6
102.00958	0.7
103.02460	5.1
112.07645	1.6
112.08736	5.5
112.09439	0.5
113.00924	0.7
113.07186	0.4
114.10302	1.1
115.02451	2.8
115.08723	0.8
116.07105	31.9
116.97265	0.5
116.98633	3.2
119.01932	16.2
120.02018	0.7
121.01646	0.5
121.03502	1.1
127.02406	0.5
130.06534	0.4
130.08690	1.5
130.09770	14.0
131.01913	1.1
132.04425	0.7
133.03490	16.0
133.09763	0.4
134.03722	0.6
134.99707	1.2
137.02975	3.2
145.03488	4.3
151.04543	4.8
156.05138	0.4
157.03513	1.3
157.10921	1.9
158.06102	0.5
158.09271	9.2
161.02975	0.4
163.04567	1.5
174.99155	0.8
175.04544	29.3
175.11923	33.2
176.04691	0.8
193.05655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.6
60.07738	0.6
60.50106	0.8
66.97771	0.8
67.05505	2.0
69.07073	18.4
70.06591	1.4
70.49757	1.0
79.05502	2.2
81.07055	9.2
82.12379	0.9
83.08615	3.8
91.05479	9.9
93.07049	3.1
95.08619	5.5
98.98475	8.3
104.06277	0.7
105.07041	24.8
107.08620	5.7
115.05465	2.5
117.07034	3.7
119.08591	78.7
121.10151	2.2
130.81444	0.8
131.08557	3.8
133.10136	73.4
137.51445	0.7
145.10129	5.7
146.10922	1.0
147.08009	1.0
147.11705	10.7
159.11794	0.9
160.05257	3.8
160.12433	4.1
173.13290	2.2
175.07555	5.1
175.14835	100.0
176.15173	0.7
188.77315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.28287	0.6
53.03917	0.8
55.05510	8.8
57.07067	1.1
65.03926	1.1
67.05502	3.6
69.06718	1.2
69.07066	18.8
70.06593	1.7
71.06798	0.7
72.30463	0.6
79.05479	5.9
81.07048	17.4
83.08620	5.1
91.05470	13.5
93.07037	6.9
95.04961	0.8
95.08604	12.3
98.98463	4.3
103.05425	2.0
103.59836	0.7
104.06229	0.8
105.07022	36.9
107.08588	10.2
109.06433	0.8
115.05435	2.3
117.07008	4.6
119.08569	86.9
121.10134	2.9
131.08546	6.4
132.05682	0.7
132.09320	1.3
133.10117	76.9
145.10089	5.0
146.10910	1.7
147.11670	11.1
160.05186	2.3
160.12450	4.1
173.13200	3.0
175.07532	3.1
175.14806	100.0
176.15169	1.5
191.01666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
54.07455	0.4
55.05515	2.6
65.03920	0.4
67.05501	1.5
69.07064	5.5
70.06596	4.7
70.82133	0.4
79.05496	1.5
81.06627	0.5
81.07060	5.9
83.08622	0.7
91.05482	6.9
93.07038	2.4
95.04976	0.6
95.08614	4.1
98.97601	0.4
98.97777	0.5
98.98470	6.9
105.07030	13.5
107.08604	2.4
112.07607	2.4
115.05437	0.8
116.07089	0.6
117.06995	1.8
119.04916	1.2
119.08580	29.7
120.08176	0.4
120.08916	0.4
121.10137	1.0
129.06949	0.6
131.08557	2.6
133.06485	1.0
133.10127	100.0
134.10481	1.5
143.05063	0.4
145.10139	3.1
146.07248	0.4
147.04507	0.4
147.08060	1.3
147.11691	5.7
157.04143	0.4
157.10104	0.6
160.05150	0.9
160.12459	1.5
173.13243	0.6
175.03838	0.6
175.07457	2.9
175.08917	0.6
175.11282	3.8
175.14818	43.7
175.18890	1.4
176.15231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
58.06596	0.9
60.05642	1.5
60.08150	0.8
63.02378	1.0
69.80522	0.9
69.80872	1.4
70.06604	2.6
71.06913	1.2
77.03928	0.6
77.22450	0.6
78.04704	2.3
85.06538	1.3
89.03912	34.3
91.05475	2.5
95.04946	0.9
98.97585	2.0
98.98454	1.5
103.05476	1.5
106.04153	2.3
106.37485	0.6
113.00850	0.6
116.98595	0.7
117.03372	64.7
118.03733	1.0
118.08650	32.9
121.01659	1.7
131.01910	0.8
133.02483	1.6
134.03622	7.2
134.99652	0.9
135.03291	1.0
135.04401	4.6
139.02681	0.5
144.13841	1.8
145.02838	100.0
146.03204	1.3
149.02292	1.3
149.05968	22.1
153.04327	0.6
162.03101	1.0
163.03911	1.5
165.57603	0.6
176.16466	1.7
177.04222	1.6
177.05467	31.6
186.05515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.96555	3.1
63.02370	1.1
65.39693	0.4
69.39223	1.6
78.04722	2.3
82.43622	0.4
89.03914	35.8
90.04294	0.5
91.05480	2.5
95.04977	0.6
97.06514	1.9
98.97580	36.0
98.98520	1.1
103.05465	1.9
105.04499	0.5
106.04161	3.7
109.90549	0.5
116.97777	0.6
116.98621	20.2
117.03374	71.3
118.03714	0.8
118.08682	0.6
118.96767	0.5
119.04958	0.6
120.08087	1.2
121.06455	0.8
124.05207	0.6
129.04507	0.5
134.03625	8.9
134.99654	6.9
135.04413	3.5
136.53940	0.4
141.09114	0.8
144.81602	0.5
145.02838	100.0
146.03165	1.8
148.54102	0.5
149.02354	1.4
149.05971	22.8
153.00728	0.7
162.03123	1.0
163.03909	2.1
176.56659	0.5
177.00688	0.7
177.05455	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.00312	0.5
55.05507	0.4
61.19126	0.2
63.48989	0.2
65.03942	0.9
67.05493	0.5
67.17498	0.2
67.39851	0.2
68.99792	1.5
69.41881	1.0
71.01352	11.9
77.03938	0.3
79.05486	3.0
81.07062	0.6
83.04963	0.2
89.03906	1.7
91.05472	3.4
93.07037	1.7
95.04962	0.6
95.08616	0.2
97.02862	0.2
98.97562	0.4
98.98437	0.3
99.65170	0.2
103.05462	3.1
105.04513	0.3
105.07010	1.2
106.04159	0.3
107.04934	2.7
107.08604	1.6
109.02863	0.2
109.06489	0.2
109.10141	0.5
111.83662	0.2
115.05462	0.4
116.06242	0.8
116.98606	0.2
117.03366	2.9
117.07043	0.4
121.06502	0.6
121.10137	0.9
123.04470	0.3
123.08049	0.3
129.06999	0.7
131.08556	4.6
133.06491	0.3
133.10083	0.4
134.03619	0.5
135.04407	48.4
135.11723	0.3
136.04764	0.4
145.02835	3.2
147.04401	7.7
148.05194	3.6
149.04866	0.3
149.05972	3.6
149.09654	0.5
153.05438	0.3
159.08040	0.6
159.11661	0.8
161.05960	0.4
162.06735	2.1
163.33849	0.2
167.99913	0.2
175.07460	0.4
177.09096	100.0
178.09451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.42592	0.9
53.03938	2.2
53.96270	0.9
55.01859	4.1
55.05499	4.4
67.05161	1.6
67.05505	18.1
69.07076	5.1
69.46158	2.5
69.46543	2.5
71.75718	1.0
72.91486	1.0
77.03918	1.3
79.05491	23.8
81.03410	4.2
81.07052	28.4
83.04941	2.7
83.08611	2.1
91.05473	23.5
93.06448	1.8
93.07039	35.9
95.04955	8.8
95.08595	7.2
97.06514	7.0
98.22767	2.3
98.98453	4.8
102.02438	1.0
105.04504	1.2
105.07019	15.8
107.04935	3.0
107.08581	16.5
109.06501	2.8
111.08057	2.0
113.24136	1.1
117.07013	18.3
119.08566	5.0
121.06477	3.1
121.10143	7.8
129.07005	1.3
130.07777	1.6
131.08557	19.5
133.10130	25.7
135.08052	6.7
135.11693	7.8
145.13039	1.3
149.09576	2.6
149.13252	13.6
159.11696	33.7
177.10199	4.0
177.12737	100.0
178.08620	1.3
193.10921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	1.5
55.01872	5.3
55.05501	3.2
57.03420	0.9
65.03917	1.6
67.05164	1.4
67.05501	21.0
69.07063	5.6
71.04976	1.0
71.46225	0.8
77.03909	1.2
79.05491	27.8
80.46454	0.7
81.03424	4.4
81.07054	33.5
83.04967	2.8
83.08607	2.5
85.06544	1.2
89.03895	1.4
91.05474	32.2
93.07040	45.5
95.04967	9.6
95.08602	8.1
97.06528	7.7
98.98458	1.6
99.08083	1.0
105.04546	1.0
105.07026	19.6
107.04934	2.4
107.07923	1.3
107.08592	15.5
109.06521	4.5
111.08054	3.5
115.05423	0.7
117.03330	1.9
117.07011	22.0
119.08570	6.1
121.06496	3.0
121.10143	8.9
123.39780	0.9
129.06999	1.3
131.08566	22.3
133.10126	30.9
135.08058	7.7
135.11693	10.6
136.61201	0.7
144.09364	1.2
144.53058	0.7
145.02785	2.7
147.11696	1.0
149.09639	3.7
149.12111	1.1
149.13251	16.2
151.46358	0.8
159.11687	42.1
177.05391	1.2
177.12735	100.0
178.13095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.72843	0.7
53.03941	1.4
53.42654	0.9
55.01875	5.5
55.05512	4.5
56.96572	0.8
57.03432	1.9
58.81302	0.7
65.03918	0.8
65.43354	0.7
67.05511	19.2
69.07070	6.1
69.87645	1.3
71.04979	1.4
77.03915	1.7
79.05499	25.5
79.34618	0.8
81.03422	3.8
81.07060	33.0
83.04971	3.5
83.08620	2.1
85.06519	1.3
88.02229	0.9
91.05483	29.0
93.07047	45.2
95.04971	10.0
95.08604	7.2
97.06539	8.3
98.98460	2.0
99.08058	0.8
105.04509	1.8
105.07034	19.0
106.04229	0.8
107.04964	3.9
107.08599	19.9
109.06528	4.7
109.10178	0.8
111.08055	3.2
115.05428	1.2
117.03400	2.1
117.07024	24.9
118.07797	0.8
119.08592	6.7
121.06519	4.7
121.10140	8.3
129.06993	1.3
131.08577	25.2
133.10132	31.3
135.08070	8.4
135.11708	8.6
144.09335	1.6
145.02820	3.8
147.11676	1.0
149.09618	2.5
149.13266	15.6
157.10152	0.9
159.11700	41.0
177.05443	1.0
177.12752	100.0
178.13127	1.6
190.04390	0.9
195.19550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
50.71931	0.3
61.68801	0.2
65.59238	0.3
71.07478	0.4
80.05000	0.3
82.05187	0.2
86.87234	0.3
92.05022	0.5
103.77725	0.3
107.08523	0.4
115.05463	0.5
117.07035	1.1
118.06543	7.2
119.07322	7.2
132.08086	1.0
134.09651	52.6
135.09953	0.8
159.44136	0.3
160.11195	1.0
162.09140	1.4
163.09915	0.8
178.12263	100.0
179.12700	1.2
197.68855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26367	0.2
54.77313	0.2
70.67145	0.3
75.97269	0.2
82.99826	3.3
85.71650	0.2
101.00871	38.9
102.00919	1.1
111.00393	0.2
119.01908	100.0
120.01981	2.9
121.02316	0.4
124.02435	3.6
125.02573	0.4
127.57977	0.2
137.02943	19.6
138.03091	0.5
142.03490	25.3
143.01886	0.7
143.03674	1.6
160.04552	5.0
161.02946	12.7
161.04617	2.4
162.04338	0.2
179.04001	14.4
179.05615	0.8
180.04137	0.4
184.04594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79154	0.2
60.00666	0.2
61.12536	0.2
70.68895	0.4
71.89079	0.2
82.99842	4.7
101.00875	45.6
102.00982	1.1
105.37755	0.2
105.52726	0.2
119.01913	100.0
120.01995	2.0
124.02444	3.7
125.02553	0.4
137.02950	16.4
138.03133	0.3
142.03493	24.6
143.01909	0.3
143.03644	1.7
160.04549	4.7
161.02953	12.9
161.04649	2.5
162.03101	0.4
165.05081	0.3
179.04013	14.0
179.05539	0.6
180.04097	0.2
184.04504	0.3
193.28252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	0.3
70.06584	1.1
70.93804	0.3
70.94137	0.3
71.20548	0.3
80.05013	0.3
82.06599	0.6
82.99838	4.2
86.09718	0.7
90.66096	0.3
94.72665	0.3
95.06090	0.5
97.07651	0.9
99.09226	0.5
101.00883	45.5
101.95022	0.3
102.00957	1.2
104.10741	0.7
109.07651	4.5
110.08425	19.5
111.09238	1.6
119.01923	100.0
120.01971	2.0
121.02374	0.4
123.09193	7.2
124.02448	3.9
125.00008	0.6
125.02618	0.3
133.01712	0.7
137.02962	18.0
138.03101	0.5
139.08665	1.4
140.11835	6.8
142.03506	25.5
143.01883	1.0
143.03641	1.9
160.04556	4.6
161.02959	12.7
161.04605	2.5
179.02431	0.7
179.04016	14.4
179.05449	0.6
184.07390	0.4
184.10831	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.79716	0.5
60.08142	1.5
67.04242	1.4
68.05023	1.9
69.95733	0.7
69.96068	1.1
70.06583	6.0
82.06577	3.4
82.99828	2.9
86.09709	4.5
95.06069	3.4
97.07662	5.3
98.98457	1.0
99.08430	0.5
99.09209	3.4
101.00874	29.3
102.00979	1.5
104.10732	9.7
109.07634	19.3
110.08418	100.0
111.09225	9.4
119.01915	72.7
120.02015	1.9
123.09184	41.2
124.02448	2.3
124.09509	0.5
124.99992	4.1
137.02948	15.0
138.10350	0.8
139.08672	7.8
140.11823	32.7
141.12170	0.5
142.03488	17.9
143.03642	1.8
160.04568	3.8
161.02946	6.6
161.04619	1.6
167.08134	2.2
169.97766	0.6
179.04001	7.7
179.05476	1.1
180.04353	0.7
184.04781	1.1
184.06087	1.2
184.07591	5.4
184.10802	62.6
184.83339	0.5
185.11139	0.7
191.28857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47102	4.9
70.48029	8.1
71.06934	4.9
82.85338	5.1
83.99905	6.3
98.07953	4.9
101.00885	16.5
102.00948	31.1
104.10706	9.9
105.11060	23.9
109.07602	10.8
110.08473	36.3
111.08727	70.0
112.09509	7.9
114.18998	5.1
119.01936	44.5
120.02007	100.0
121.01666	19.8
123.09200	7.9
124.09543	37.9
125.74604	4.7
137.02975	8.6
138.03069	22.1
140.08926	6.2
141.12183	24.3
143.03656	22.4
144.03232	10.5
144.05054	11.0
162.03027	18.9
162.04335	14.4
162.06126	6.5
171.43745	4.9
180.04120	10.2
185.06683	9.6
185.09265	10.4
185.11166	79.6
203.47501	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47102	4.9
70.48029	8.1
71.06934	4.9
82.85338	5.1
83.99905	6.3
98.07953	4.9
101.00885	16.5
102.00948	31.1
104.10706	9.9
105.11060	23.9
109.07602	10.8
110.08473	36.3
111.08727	70.0
112.09509	7.9
114.18998	5.1
119.01936	44.5
120.02007	100.0
121.01666	19.8
123.09200	7.9
124.09543	37.9
125.74604	4.7
137.02975	8.6
138.03069	22.1
140.08926	6.2
141.12183	24.3
143.03656	22.4
144.03232	10.5
144.05054	11.0
162.03027	18.9
162.04335	14.4
162.06126	6.5
171.43745	4.9
180.04120	10.2
185.06683	9.6
185.09265	10.4
185.11166	79.6
203.47501	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.9
56.05032	0.6
57.07060	0.6
58.06599	8.2
67.05167	0.7
67.05501	10.9
69.07061	4.8
69.59468	0.7
69.59870	1.1
71.04989	3.6
72.08150	0.5
73.70339	0.3
75.05363	0.4
79.05482	0.8
81.07051	10.9
83.08614	2.5
85.06551	1.2
93.07021	0.4
95.08602	17.3
97.10186	0.4
99.08074	1.6
109.10146	6.4
116.10699	1.0
117.03358	0.4
121.00769	1.7
121.01671	1.5
123.11689	0.9
139.01767	0.8
144.07733	0.4
158.06059	0.5
163.01776	2.9
164.95728	0.3
165.02148	0.4
168.17377	0.6
169.15881	0.4
180.17557	0.4
181.02795	2.5
186.05463	1.5
186.18517	100.0
187.18860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1554
Annotation	Propanoylagmatine
Peak:m/z	Relative Intensity
55.05499	1.0
57.03419	3.0
60.05643	1.0
64.33823	0.6
70.11269	0.6
72.08152	24.0
74.06071	4.0
84.91694	0.6
86.06068	17.1
88.02194	0.7
90.02309	0.6
97.07662	2.3
98.06052	1.7
101.00874	0.6
103.00655	0.8
103.15137	0.6
114.10281	12.1
115.08688	10.3
119.01900	0.9
121.01651	1.6
122.02036	0.8
127.12313	34.7
128.10712	100.0
131.12822	0.6
133.76242	0.7
145.13347	5.3
161.11232	0.6
169.62868	0.6
170.10704	1.1
170.12877	43.1
187.15532	70.2
188.15854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.28170	0.3
56.96555	0.4
69.80136	0.6
69.80484	0.9
91.05465	3.0
96.96851	0.3
98.22788	0.4
100.48896	0.3
101.40965	0.3
103.05470	0.5
115.05437	4.9
117.05744	1.3
117.07007	4.1
118.06532	64.2
119.06909	0.6
132.08113	0.6
142.06522	5.8
143.07303	10.0
144.04544	0.6
144.08073	23.2
145.06433	0.8
146.05994	100.0
147.06352	1.2
155.06035	1.2
160.06322	0.3
160.07585	1.1
160.09702	0.4
170.05997	8.6
179.15991	0.3
188.07053	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
56.05021	0.4
57.03429	0.3
57.07074	1.3
62.07521	0.2
72.04527	0.3
72.08150	0.4
84.08145	0.3
85.02905	0.3
86.06063	1.2
86.09703	100.0
87.10052	0.6
91.05486	0.3
105.07008	0.4
115.05465	0.4
116.10733	0.9
119.84454	0.3
128.10715	41.6
142.12273	0.4
146.05972	0.6
146.08076	0.5
146.11752	20.6
146.91835	1.1
147.08029	0.3
149.93732	0.3
160.08446	0.4
160.09663	0.3
161.09674	0.3
164.92879	0.3
170.11754	26.2
171.11868	0.4
173.08412	0.3
174.06723	0.5
188.05490	0.3
188.06813	0.5
188.08018	0.7
188.09225	0.5
188.10789	0.3
188.11336	0.4
188.12843	2.8
189.09087	1.1
189.12602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92095	0.2
56.05034	15.4
69.57640	0.8
71.04992	0.3
74.06077	100.0
75.06413	0.3
81.68027	0.2
84.04527	0.5
86.06078	0.2
86.06905	0.3
88.23191	0.2
93.01754	0.2
96.04470	0.2
98.23466	0.3
105.07114	0.3
107.08598	0.2
115.31329	0.2
119.08591	0.2
124.20957	0.2
136.54465	0.3
142.25935	0.2
170.06047	0.2
171.11902	0.2
188.07127	0.6
188.09251	0.4
188.16412	2.2
189.12807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1646
Annotation	L-2-aminodecanoate
Peak:m/z	Relative Intensity
51.59602	0.5
55.01860	2.6
55.05263	0.6
55.05507	9.6
55.83635	0.6
56.05036	8.6
57.03445	1.2
57.07084	3.4
57.66336	0.6
59.04979	1.2
67.05504	7.2
69.03420	1.1
69.07067	35.1
70.06572	0.7
71.04970	1.8
71.08619	2.2
72.04504	1.0
72.08130	0.6
73.06546	1.1
74.06078	53.2
79.05491	4.5
81.07059	5.2
82.07383	0.8
83.04967	2.8
83.08618	10.8
84.04514	3.4
84.31245	0.6
85.02906	0.9
86.06055	1.5
91.05449	1.6
93.07045	8.4
95.08607	3.1
97.06519	6.4
97.10155	1.9
104.90833	0.7
105.03383	1.1
105.07007	1.4
107.08597	8.0
109.10162	3.3
111.08082	2.7
111.11702	2.6
112.02176	1.2
118.06526	2.8
119.08584	1.3
124.11985	0.7
125.09644	1.6
128.07077	1.1
129.06987	0.8
135.11699	7.9
142.08635	0.7
142.12225	0.8
144.08083	0.9
145.06160	0.8
146.05975	2.7
146.08141	1.4
146.91808	2.6
147.11716	1.0
152.14336	0.8
153.09055	1.2
153.12732	2.5
156.09285	1.0
160.07458	1.5
161.05995	1.0
161.09578	1.0
161.13245	0.7
170.02722	1.4
170.11778	2.5
170.15393	100.0
171.11656	1.1
171.15700	2.0
188.03751	14.9
188.06914	4.7
188.09187	2.8
188.10722	1.2
188.16451	52.0
189.09184	2.3
189.12703	3.3
189.16409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0546
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.68049	0.2
55.05526	0.2
67.05520	0.2
68.47150	0.2
68.99780	1.3
69.16116	1.3
74.77402	0.2
77.03943	0.3
79.05495	0.3
81.07047	0.6
85.02895	0.5
91.05456	1.3
93.07027	0.5
95.08597	0.8
98.23448	0.5
103.05510	0.3
105.03380	3.6
105.06992	1.5
106.96545	0.4
107.08577	0.3
109.10111	0.3
115.05444	3.0
118.04131	0.4
119.08569	1.8
121.10152	0.2
124.97615	0.5
128.06310	0.3
129.03351	2.7
129.06970	0.3
131.08604	0.4
133.10139	1.2
143.04915	3.3
143.05917	0.4
143.08575	0.3
145.10075	0.4
146.03616	9.5
147.08051	0.3
147.11655	0.7
156.09332	0.3
161.05962	100.0
161.13258	0.7
162.06247	1.4
171.11647	0.5
189.05446	50.5
189.12683	0.9
189.16298	1.7
190.05861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
52.00511	0.3
55.05532	0.7
56.96568	1.5
57.03456	0.5
60.08170	6.3
67.05505	0.6
69.07072	0.6
70.06600	3.5
70.59354	0.5
70.59698	0.3
72.08166	1.6
74.07208	0.9
75.05595	0.6
83.04957	0.4
84.08150	21.5
86.09713	100.0
87.10083	0.5
88.03961	0.4
90.89724	0.3
98.84055	0.4
98.97585	2.3
105.07036	0.4
106.96562	0.7
111.04395	0.3
112.08741	0.4
113.03458	0.5
114.05573	0.4
116.07085	1.6
116.98627	1.4
117.03748	1.4
124.97649	0.6
129.05525	0.4
130.05017	0.4
130.08652	11.0
132.10213	45.2
134.99728	0.5
142.98689	0.7
143.11810	24.8
144.04442	0.5
144.08116	0.5
144.13849	0.4
146.06015	0.9
157.06129	0.7
161.07111	0.7
171.11429	0.6
189.06618	7.9
189.08812	1.0
189.10480	0.5
189.12363	1.9
189.13593	1.3
189.16003	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61974	0.8
54.01080	0.9
55.01864	1.7
55.05494	3.7
57.07047	1.1
65.03919	1.7
67.05491	4.4
67.22272	1.0
69.03416	2.8
69.07057	3.7
69.36763	5.4
75.62091	1.0
79.05484	4.9
81.07040	3.5
83.04963	3.7
84.08129	1.6
86.06037	1.1
86.09702	2.4
91.05463	11.1
93.07053	5.1
95.04945	4.2
105.07022	33.4
107.08558	4.8
109.06521	1.9
115.05429	2.3
116.06246	1.3
117.06998	7.4
119.04929	1.5
119.08574	39.7
121.06529	2.0
121.10114	3.3
124.97585	1.8
128.06178	4.7
129.06999	10.1
130.07761	3.4
130.08614	1.1
130.34183	1.1
131.08560	29.8
133.06490	3.8
133.10117	13.2
135.08084	2.1
141.06975	4.9
142.07813	2.4
143.08546	9.5
144.09334	6.4
145.06430	3.2
145.10121	12.2
146.07179	1.7
146.10904	2.0
147.08043	19.6
147.11678	26.4
149.02257	1.2
155.08501	1.4
156.09329	34.4
157.06454	3.1
157.10120	2.0
159.08083	6.3
159.11682	64.1
160.08748	2.9
161.05960	1.2
161.09608	7.8
161.13258	22.2
171.11676	51.4
174.06711	2.2
174.10361	10.6
189.09100	8.9
189.12729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45775	0.9
53.33084	1.0
55.01839	1.0
55.05500	3.3
57.07055	1.3
59.04989	2.1
67.05481	1.4
69.03420	2.4
69.07066	1.3
69.64924	3.0
72.08139	1.0
79.05476	3.1
81.07038	1.9
83.04958	4.1
84.08134	2.5
85.02905	1.5
85.06553	1.0
86.09679	2.8
90.94376	0.9
91.05466	11.2
93.07029	3.5
95.04950	4.8
98.22678	2.0
103.05415	1.0
105.07025	34.6
106.96558	1.0
107.04959	1.2
107.08585	5.4
109.06461	1.8
115.05463	1.5
116.06236	1.1
117.07005	6.2
119.04923	1.3
119.08574	46.9
119.09425	2.2
121.06507	2.4
121.10151	1.7
128.06195	3.8
129.06985	5.8
130.07791	2.2
131.08557	37.5
132.10179	1.3
133.06464	1.9
133.10130	11.0
135.08009	2.2
141.06998	5.5
142.07765	2.9
143.08549	15.3
143.11790	1.0
144.09279	1.9
145.10118	24.3
146.10916	4.6
147.08037	16.8
147.11682	57.7
155.08478	1.8
156.09341	42.8
157.09697	1.2
159.08014	6.6
159.11693	13.6
160.08813	3.3
161.09576	6.6
161.13243	21.9
171.11684	56.1
174.10408	15.0
189.09140	2.6
189.12727	100.0
190.17952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.46171	0.3
56.04998	0.5
56.96551	1.1
58.42827	0.3
60.94840	0.4
69.83567	1.3
70.06579	0.4
84.08118	1.5
86.09695	0.5
89.03874	0.6
90.94827	0.4
98.06048	0.4
98.23542	0.4
98.97583	1.0
106.06544	0.7
108.57697	0.4
116.04992	2.2
116.98595	0.7
130.04964	1.4
130.06532	1.7
130.08704	0.7
130.96359	0.5
134.05971	1.0
134.99648	0.5
144.04448	0.8
144.06537	0.7
144.08061	0.7
145.10086	0.3
148.97391	0.6
149.01210	1.2
149.02357	0.9
150.96858	0.8
162.05493	100.0
163.05858	1.1
167.02196	0.4
190.04987	43.9
190.08467	2.0
190.12239	0.6
191.05278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0863
Annotation	1H-Indole-3-acetaldehyde, 5-methoxy-
Peak:m/z	Relative Intensity
55.01865	2.1
56.05004	1.3
56.96550	4.7
57.03426	3.3
59.17326	1.0
60.08139	2.9
69.03423	7.1
70.06588	1.4
73.02929	1.0
77.17290	0.9
78.12675	0.9
82.25706	1.0
84.08131	2.2
85.02910	10.5
85.08474	1.6
86.06075	1.0
90.94799	2.1
91.05467	2.3
95.08568	1.1
96.21196	1.1
97.82591	1.0
98.06036	2.0
98.97577	3.8
104.04971	2.4
106.06552	35.2
108.08102	1.7
116.91963	1.0
116.98606	4.1
117.07008	1.4
118.06534	2.8
130.06505	8.6
130.96321	1.5
131.00087	1.2
131.07298	2.5
132.08081	3.7
134.05988	3.6
134.99622	2.5
143.07260	1.2
144.06456	1.6
144.06818	1.3
144.08072	17.7
145.04797	1.1
146.06099	1.5
148.97426	1.4
149.01196	6.4
149.02342	2.5
154.06468	2.9
160.07571	72.6
162.09134	64.8
167.02309	1.4
167.97139	1.3
172.07516	5.6
190.08612	100.0
190.15900	1.4
191.08864	2.1
199.78845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40927	1.6
51.64005	1.5
52.47456	1.7
53.03928	1.9
55.01868	3.3
55.05515	9.5
56.96568	4.5
57.03431	3.5
57.07061	4.7
59.04999	1.9
65.60999	1.5
67.05505	9.4
69.03435	8.4
69.07070	12.0
69.54479	6.6
71.04982	4.9
72.13453	1.4
79.05494	11.3
81.07053	15.1
82.63676	1.6
83.04972	9.0
83.08629	3.2
85.06539	3.5
91.05475	26.2
93.06518	2.4
93.07045	25.6
94.35404	1.8
95.04984	8.0
95.08607	18.6
97.06513	6.7
97.10180	1.8
98.97578	1.9
103.05450	9.9
105.07024	31.5
107.04957	8.9
107.08593	54.9
109.06532	8.2
109.10147	7.2
111.08076	3.2
115.05466	2.0
116.06238	2.8
117.07024	9.7
119.08574	20.9
120.05648	1.6
121.06513	16.8
121.10144	44.9
123.08085	8.5
123.11650	2.1
129.06982	5.5
130.07796	2.7
131.00145	3.3
131.04935	8.6
131.08568	78.5
133.02820	2.5
133.06554	2.2
133.10126	47.2
135.08057	27.0
135.11697	13.9
143.08554	6.2
144.09286	2.3
145.06534	2.7
145.10124	37.0
147.08031	2.9
147.11681	24.2
148.05188	5.0
149.01205	6.1
149.05978	1.9
149.09651	18.2
149.13255	34.2
158.10947	10.1
159.08067	2.4
160.05119	2.3
161.09540	3.2
163.07536	7.0
163.11174	5.7
163.14818	9.0
167.02289	2.5
173.09651	5.6
173.13269	51.9
174.05540	3.1
177.07846	3.1
191.03363	2.6
191.06914	11.0
191.08850	2.8
191.10521	16.9
191.14304	100.0
191.17923	4.4
192.10120	4.8
209.75366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83354	0.4
52.04663	0.4
53.03945	1.0
53.87933	0.5
55.01867	1.4
55.05512	7.3
56.96560	1.6
57.03431	0.7
57.07076	1.8
59.05014	0.7
65.03946	0.7
67.05498	3.3
69.03426	12.0
69.07069	4.4
71.04985	2.4
77.03960	0.5
79.05495	11.2
81.07057	4.1
83.04976	10.0
83.08620	0.8
85.06541	1.8
85.76709	0.4
85.77956	0.5
91.05476	15.9
93.07045	8.9
95.04950	2.4
95.08602	4.1
96.71172	0.5
97.06532	3.3
98.97586	1.0
103.03030	0.5
103.05476	4.5
105.04523	0.7
105.07027	23.0
107.04951	1.9
107.08589	81.2
108.08921	0.8
109.06532	3.0
109.10163	2.8
111.08059	0.7
115.05428	1.3
116.06236	1.1
117.07010	5.7
119.06059	2.0
119.08580	9.4
121.06509	3.7
121.10137	20.8
121.78491	0.5
122.07307	1.0
123.08076	2.7
123.11683	1.1
129.07007	3.0
130.07765	2.1
131.00192	0.9
131.04912	3.8
131.08565	40.3
133.10123	53.6
135.08047	8.7
135.11659	2.5
143.08554	4.1
144.09308	1.2
145.06465	1.1
145.10115	16.3
147.08055	2.6
147.09062	0.5
147.11667	6.9
148.05132	0.7
149.01230	2.3
149.05949	1.0
149.09634	5.8
149.13249	15.5
155.08566	0.8
158.07242	0.7
158.10899	7.6
158.64363	0.5
159.04401	3.5
160.05046	0.9
161.08372	0.5
161.09578	2.7
163.07516	3.4
163.11160	2.0
163.14801	2.2
173.09674	3.5
173.13254	26.5
176.04634	0.6
176.11972	1.4
191.06972	8.6
191.10619	15.1
191.14293	100.0
192.10190	0.8
192.14610	1.5
203.55972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.40927	1.6
51.64005	1.5
52.47456	1.7
53.03928	1.9
55.01868	3.3
55.05515	9.5
56.96568	4.5
57.03431	3.5
57.07061	4.7
59.04999	1.9
65.60999	1.5
67.05505	9.4
69.03435	8.4
69.07070	12.0
69.54479	6.6
71.04982	4.9
72.13453	1.4
79.05494	11.3
81.07053	15.1
82.63676	1.6
83.04972	9.0
83.08629	3.2
85.06539	3.5
91.05475	26.2
93.06518	2.4
93.07045	25.6
94.35404	1.8
95.04984	8.0
95.08607	18.6
97.06513	6.7
97.10180	1.8
98.97578	1.9
103.05450	9.9
105.07024	31.5
107.04957	8.9
107.08593	54.9
109.06532	8.2
109.10147	7.2
111.08076	3.2
115.05466	2.0
116.06238	2.8
117.07024	9.7
119.08574	20.9
120.05648	1.6
121.06513	16.8
121.10144	44.9
123.08085	8.5
123.11650	2.1
129.06982	5.5
130.07796	2.7
131.00145	3.3
131.04935	8.6
131.08568	78.5
133.02820	2.5
133.06554	2.2
133.10126	47.2
135.08057	27.0
135.11697	13.9
143.08554	6.2
144.09286	2.3
145.06534	2.7
145.10124	37.0
147.08031	2.9
147.11681	24.2
148.05188	5.0
149.01205	6.1
149.05978	1.9
149.09651	18.2
149.13255	34.2
158.10947	10.1
159.08067	2.4
160.05119	2.3
161.09540	3.2
163.07536	7.0
163.11174	5.7
163.14818	9.0
167.02289	2.5
173.09651	5.6
173.13269	51.9
174.05540	3.1
177.07846	3.1
191.03363	2.6
191.06914	11.0
191.08850	2.8
191.10521	16.9
191.14304	100.0
191.17923	4.4
192.10120	4.8
209.75366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.32885	0.2
53.03949	0.3
55.05507	2.8
55.53234	0.2
57.03429	0.5
57.07063	0.7
67.05503	2.1
69.03429	8.2
69.07066	2.5
69.63367	0.7
77.03883	0.6
79.05493	4.1
81.03424	0.4
81.07046	4.8
81.07499	0.4
82.35351	0.3
83.04972	1.4
83.08607	0.7
91.05470	4.8
93.07041	4.5
93.74962	0.3
95.04957	0.8
95.08608	2.5
97.06547	0.5
98.23562	0.3
103.05480	0.7
105.04507	0.3
105.07029	9.0
107.04951	1.9
107.08591	15.9
109.06527	1.6
109.10145	5.6
111.08076	0.3
115.05450	0.5
115.62672	0.3
116.06277	0.2
117.07047	1.2
117.07728	0.3
118.07805	0.8
119.06071	0.4
119.08577	3.6
120.09376	0.3
121.06515	1.1
121.09260	0.6
121.10137	11.3
122.07275	3.2
123.08078	1.3
129.06995	0.4
130.07822	0.3
130.47614	0.2
131.08557	4.3
133.10123	100.0
134.10448	1.0
135.08058	3.5
135.11688	2.4
137.09612	19.7
143.08522	1.6
144.09328	0.5
145.10130	2.7
147.11670	2.3
149.09648	1.2
149.13258	8.2
158.10898	2.4
163.07687	0.4
163.14806	1.6
173.13255	10.4
191.07007	0.4
191.14301	12.3
191.15974	0.4
191.17937	0.7
192.14534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42330	1.0
53.03918	2.1
55.05505	9.3
55.06725	1.1
57.03424	1.2
57.07061	2.7
59.05001	1.8
62.53757	1.0
63.87165	1.1
65.03937	1.6
67.05503	10.0
69.03069	1.5
69.03429	29.6
69.07069	8.0
69.32745	1.9
69.33151	4.1
77.03926	1.9
79.05487	41.2
81.03397	1.7
81.07056	39.6
83.04983	13.8
83.08617	1.2
85.06540	2.4
85.13644	1.0
91.05478	16.4
93.07041	20.6
95.04969	5.5
95.08591	10.0
97.06535	2.3
103.05454	4.8
105.04519	1.6
105.07022	19.1
107.04262	1.5
107.04950	25.5
107.08588	65.3
109.06485	5.7
109.10194	10.5
111.08019	1.7
115.05469	2.2
117.07002	3.3
119.06016	2.1
119.08569	8.6
121.06517	8.9
121.10141	20.3
122.07273	4.0
123.08054	3.6
129.06903	1.8
130.07719	1.6
131.04939	2.7
131.08572	13.3
133.10121	100.0
135.08075	11.4
135.11659	7.2
137.09605	24.7
143.08553	3.2
145.06393	1.3
145.10107	7.6
147.11707	7.7
148.05194	1.5
149.01233	2.4
149.09578	5.0
149.13249	12.1
158.10863	6.8
163.07545	2.8
163.14827	2.9
169.18106	1.2
173.13243	18.5
191.06981	4.7
191.14291	62.1
191.17949	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24479	0.5
53.03930	0.6
55.01850	0.8
55.05505	3.6
56.96562	1.8
57.07073	0.8
59.05000	0.6
67.05510	3.0
69.03428	2.0
69.07067	5.5
71.04990	3.2
79.05496	4.8
81.07057	5.6
83.04976	2.7
83.08604	2.5
85.06533	1.5
91.04939	1.1
91.05482	14.3
93.07038	12.5
93.10377	0.6
94.06577	0.5
95.04940	3.0
95.08611	6.3
97.06521	3.5
100.37823	0.5
102.04653	0.8
103.05453	3.1
105.07029	32.3
107.04970	2.4
107.08596	19.3
109.06529	3.0
109.10138	2.7
111.60024	0.6
115.05464	1.8
116.06227	1.1
117.07003	4.2
118.04185	1.0
118.06535	1.3
118.07790	1.4
119.06118	0.9
119.08577	10.7
120.08060	0.7
121.06532	3.1
121.10142	13.8
123.08077	2.7
129.06990	2.9
130.07762	0.8
131.00162	0.7
131.04950	4.8
131.08566	27.0
132.04451	1.2
133.10124	100.0
134.10451	1.0
135.08055	9.4
135.09962	0.9
135.11693	5.4
143.08563	4.8
144.09349	1.7
145.06483	1.1
145.10118	14.6
147.08063	0.9
147.11682	8.8
148.05165	1.0
149.01215	1.9
149.09615	5.0
149.13254	11.2
158.10899	8.1
159.04428	0.8
160.05214	0.7
163.07549	1.8
163.11188	1.6
163.14827	4.9
166.02573	0.7
167.97186	0.6
171.11696	1.0
173.09711	1.7
173.13255	34.5
174.05476	0.6
191.06960	2.5
191.08307	2.0
191.10425	3.2
191.14311	29.1
191.16130	1.8
191.17847	1.0
192.10217	0.8
192.14771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
56.96566	1.9
57.03422	0.9
57.07066	1.9
59.04980	1.1
64.06707	1.2
67.05497	3.6
69.03427	7.6
69.07059	6.0
70.03395	0.9
70.46072	2.2
71.04998	2.3
79.05468	5.8
81.07056	5.9
83.04976	5.5
83.08613	1.5
85.06519	1.5
91.05471	13.4
93.07044	11.8
95.04954	2.0
95.08611	6.5
97.06528	3.4
99.08099	1.2
101.68829	1.0
103.05457	2.6
105.04456	1.0
105.07023	30.6
107.04952	1.3
107.08582	31.9
109.06495	3.9
109.10149	5.2
115.05431	1.2
116.06229	1.1
117.07012	3.2
118.07832	1.3
119.08544	11.4
121.06496	3.8
121.10130	15.4
123.08038	2.7
123.11662	1.2
128.06276	1.1
129.06960	2.1
130.07762	1.1
131.04936	2.3
131.08557	28.8
133.10123	100.0
135.08015	9.2
135.11670	5.4
143.08542	4.1
144.09293	1.3
145.10110	9.3
147.11668	6.4
148.05186	1.2
149.01218	2.4
149.09615	4.3
149.13237	12.2
158.10921	8.1
161.09674	1.7
163.07491	3.0
163.11137	1.4
163.14865	4.8
173.13242	34.0
176.11989	1.5
191.03415	1.1
191.06905	2.8
191.08351	1.9
191.10620	3.2
191.14294	70.9
191.17938	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54167	4.3
56.96574	9.4
58.06617	5.4
59.05005	17.7
60.08157	14.7
61.02937	4.4
62.06086	5.8
69.03407	6.8
69.38287	23.6
70.06622	7.3
73.02920	17.4
74.09720	7.5
85.02931	6.0
87.04475	5.5
98.09697	52.8
98.23478	7.3
100.03953	4.4
102.09203	20.9
116.07124	7.3
116.10751	12.4
119.01862	6.3
127.03964	4.8
138.03395	6.1
143.01941	13.2
149.01244	6.2
156.13860	19.4
174.07619	5.4
174.14914	74.7
191.98228	100.0
192.08755	9.8
192.12291	48.9
192.15967	80.5
203.04083	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0657
Annotation	SCHEMBL115205
Peak:m/z	Relative Intensity
65.82019	0.2
69.15111	1.6
84.76280	0.2
87.00792	1.3
91.05476	1.3
95.05006	0.3
98.23425	0.5
98.72163	0.2
104.04984	0.4
105.07027	0.6
106.06558	3.1
107.04922	0.3
118.06535	12.3
130.06505	0.3
132.04448	59.1
133.04794	0.3
133.06415	0.6
146.05997	12.1
149.08333	0.4
150.05528	0.5
150.96880	0.3
160.05052	100.0
161.05405	0.8
164.07051	3.0
174.05502	13.8
177.07854	3.5
192.06508	23.8
192.07751	17.0
192.10202	6.4
192.13629	0.4
192.17462	0.5
193.05118	0.3
193.08153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
51.33392	0.3
52.58494	0.3
59.05062	0.3
62.70491	0.3
69.03515	0.5
79.05550	0.5
80.05880	0.3
81.07125	0.3
82.27067	0.3
91.05492	2.3
92.05016	0.3
92.05890	1.0
93.07116	0.5
95.04999	0.4
100.11301	0.4
100.86765	0.3
105.07016	1.7
106.06667	0.3
106.07439	0.3
107.08618	0.4
108.08945	0.6
117.05817	0.4
118.04205	1.4
118.06541	5.1
118.07327	0.6
119.04976	0.3
119.08622	0.5
120.08956	0.6
121.00823	0.3
128.05016	0.6
130.06552	0.7
131.08598	1.4
132.04480	0.7
132.05672	0.3
132.08902	7.9
132.95816	0.5
133.05316	0.5
133.06505	0.9
133.10149	1.0
138.03421	0.7
139.01846	0.7
146.06003	100.0
146.10439	3.9
147.06335	1.3
149.02328	0.8
149.08417	0.4
150.09914	0.8
150.96877	1.0
156.05414	0.4
160.05057	12.7
161.05963	0.6
164.06961	0.9
174.05438	0.8
174.09947	0.7
177.01735	0.4
177.07828	7.1
191.97171	0.3
192.04129	1.0
192.06410	6.8
192.07747	0.9
192.10089	15.5
192.13602	1.9
192.17374	0.7
193.04854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
61.69997	0.2
62.88504	0.2
69.45341	0.2
70.74858	0.4
73.05250	0.2
79.37462	0.2
81.03442	0.2
87.00846	1.0
91.05491	0.7
104.05020	0.5
105.37347	0.3
106.06549	2.0
107.04996	0.4
118.06541	7.6
124.46465	0.3
124.94391	0.3
130.06537	0.3
132.04454	37.3
132.05479	2.2
132.08890	0.4
132.95808	0.4
133.04813	0.3
133.06396	0.4
145.99330	0.2
146.06007	11.6
160.05055	100.0
161.05402	0.7
164.07088	1.7
165.34637	0.3
171.52196	0.3
174.05518	9.0
177.07848	2.2
192.06429	12.0
192.07701	19.2
192.10205	4.5
192.13641	0.3
192.17426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
50.45445	0.2
53.66429	0.2
56.96550	0.4
69.03404	0.3
71.12886	0.2
72.93784	0.5
86.06051	0.3
87.04469	0.3
90.94811	0.5
91.05470	0.4
94.06570	0.6
95.04955	0.3
104.04986	0.3
105.01447	0.2
105.07002	0.4
106.06554	0.3
108.82542	0.2
116.10682	0.3
118.06546	0.4
120.02366	0.6
120.04404	0.2
121.00790	0.3
131.97409	0.3
132.04456	0.9
132.95844	2.6
138.03409	1.0
139.01791	0.6
143.73227	0.2
146.05998	3.0
148.07573	1.6
149.08353	5.2
149.96086	0.4
150.05464	0.5
150.96890	3.5
151.07570	0.4
167.97081	0.5
169.64893	0.2
173.98512	0.3
174.05522	0.7
176.07043	0.8
177.07835	45.7
178.08179	0.2
191.97130	0.7
192.10176	100.0
193.10548	1.1
206.60841	0.2
209.87260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1383
Annotation	DEET
Peak:m/z	Relative Intensity
65.03935	0.9
67.05512	0.2
69.22845	0.4
69.23240	0.2
70.14967	0.1
72.04514	6.1
72.08159	0.4
81.03446	0.3
90.77637	0.1
91.05473	6.6
93.07043	0.1
95.04986	0.3
99.91163	0.1
100.07614	5.5
105.07043	0.1
109.06515	7.3
118.06536	0.2
119.04938	100.0
119.05938	3.3
120.05273	0.9
132.08165	0.2
176.10663	0.1
192.13817	48.4
193.14185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01869	3.2
59.04984	0.6
67.05502	0.6
69.03419	0.7
69.66245	1.5
72.08149	3.1
77.03925	0.9
79.05490	9.3
81.03356	0.4
81.07043	0.8
83.29786	0.5
90.04684	1.2
91.05482	3.8
93.06992	0.8
95.04957	3.0
101.16493	0.4
103.05460	11.7
104.06252	0.7
105.03397	13.2
105.07023	83.6
106.07354	0.8
107.04955	0.7
107.08561	0.5
109.06513	1.0
115.05448	18.3
118.04145	9.1
119.04976	0.5
119.08537	0.8
122.03658	0.5
131.04913	3.0
132.05652	0.6
133.02844	4.2
133.06480	78.6
133.10110	1.2
134.05942	0.9
134.06827	1.0
135.08044	0.5
135.11665	0.5
137.05963	1.3
143.04892	1.7
143.06012	8.8
147.08040	0.8
147.11624	0.8
149.05954	0.8
158.36716	0.4
159.03235	0.5
161.05966	100.0
162.06352	1.4
165.05382	0.6
175.05711	0.4
175.11177	1.2
176.10698	6.1
178.02609	3.6
178.06255	0.6
178.08194	0.7
193.04959	12.5
193.08594	12.1
193.10463	1.7
193.11960	0.7
193.13358	1.7
194.15385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03944	5.4
55.01874	6.4
55.05509	10.1
57.03429	3.5
59.04979	1.3
62.77205	1.0
65.03936	3.7
67.05164	2.3
67.05504	41.7
67.58667	1.0
68.33321	1.0
69.03421	3.8
69.07067	7.8
71.04991	8.1
71.06711	1.9
77.03919	3.6
78.78188	1.1
79.05493	45.6
81.03416	100.0
81.06625	2.1
81.07053	25.6
83.04984	8.0
83.08620	14.5
85.02908	2.0
85.06544	2.6
88.15578	1.0
91.05480	80.4
93.07047	48.5
95.04970	50.7
95.08605	3.5
97.02892	2.7
97.06525	9.0
103.05490	2.3
103.35452	1.0
105.04513	3.4
105.07033	45.0
107.04951	14.2
107.08576	4.9
109.06501	8.9
111.04451	2.6
111.08066	4.4
115.05440	4.1
117.07000	1.7
119.04897	1.5
119.08592	25.0
121.06504	2.6
121.10127	5.9
128.06216	1.7
129.07013	19.9
131.08562	26.7
133.06482	10.6
133.10127	86.9
135.11699	1.3
142.07794	4.7
147.08031	8.5
147.10565	2.4
147.11681	35.4
149.09610	27.4
151.11169	2.2
157.10133	31.7
161.05981	6.6
165.12733	2.6
175.11189	48.4
193.08583	1.7
193.12241	46.3
194.15443	1.3
198.62184	1.1
213.94170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03938	2.0
55.05517	24.4
57.07082	7.4
59.04999	3.7
64.16969	1.3
65.01338	1.4
65.03933	1.5
67.05509	25.5
69.03432	14.1
69.07073	20.6
70.15639	3.9
71.04987	3.3
74.11249	1.3
79.05503	7.5
81.07066	31.2
83.04986	27.5
83.08165	1.9
83.08621	12.0
84.04992	1.5
85.06527	5.8
87.08129	2.5
91.05476	11.9
93.07043	21.1
95.04960	3.3
95.08020	2.8
95.08614	56.1
97.06536	4.5
97.10178	2.6
99.08069	3.4
103.05498	1.9
105.07047	23.6
107.07851	1.5
107.08596	53.5
109.06524	20.2
109.10161	86.1
111.08089	10.3
119.08592	61.9
121.10147	33.2
123.08076	44.8
123.08829	1.0
123.08987	1.9
123.11729	12.3
125.09621	1.9
133.06468	1.7
133.10133	45.9
135.11702	97.7
137.09621	32.5
138.10400	6.5
142.51445	1.5
145.10120	2.1
147.11658	4.4
149.13266	22.9
151.11217	10.7
151.14841	9.7
161.06018	4.2
161.54210	1.4
165.16426	4.3
175.14830	53.3
179.82819	1.6
193.15892	100.0
205.36111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05266	0.8
55.05511	13.9
57.03424	2.8
57.07064	3.4
59.04984	2.3
67.05499	22.0
69.03419	1.6
69.07064	12.1
69.21233	1.5
69.21624	2.3
71.05002	5.3
71.08640	1.2
73.14842	1.0
79.05488	10.6
81.03418	8.0
81.07053	21.8
83.04978	5.7
83.08621	5.7
85.06539	3.8
91.05474	16.1
93.07039	37.3
95.04968	6.5
95.08015	1.5
95.08600	21.2
97.06521	2.3
97.10163	1.0
99.08083	3.8
103.05454	1.1
105.07021	27.6
106.23827	0.7
107.08588	49.2
109.06520	10.3
109.10150	41.7
111.08057	3.3
115.05446	1.8
117.06995	1.3
119.06089	0.8
119.08572	33.1
120.09325	1.0
121.10142	15.2
123.08057	13.3
123.11692	13.9
125.09613	2.2
131.08557	3.1
133.06471	8.0
133.10120	51.8
135.11684	100.0
136.12019	1.4
137.05917	1.0
137.09602	19.1
137.13252	4.1
138.10367	4.0
139.11171	1.3
143.05917	0.8
145.10118	1.3
146.07820	1.0
147.11674	7.5
149.13228	3.4
151.11166	8.7
151.14792	4.9
160.12523	1.1
161.05968	5.8
165.16365	4.5
175.11203	1.2
175.14812	41.2
193.08527	2.5
193.12204	2.5
193.15863	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90831	0.8
58.79645	0.7
70.85138	1.1
80.29789	0.7
89.06016	0.9
94.93011	100.0
121.55256	0.8
150.95517	1.5
194.94556	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.76142	0.7
53.00303	1.1
53.03930	2.4
55.01857	2.0
55.05512	1.6
67.05493	1.3
68.96326	0.8
70.24398	1.4
71.01334	1.0
76.36237	0.7
77.03922	2.1
79.05488	9.0
81.03416	13.8
81.07033	2.7
83.01349	1.2
84.08150	1.2
89.03917	3.0
89.06001	2.1
91.05470	12.6
91.06014	0.5
92.05729	0.9
93.07037	14.3
95.04975	7.1
97.02895	0.8
97.06551	1.3
103.05461	29.2
105.04507	2.4
105.07030	9.6
107.04946	26.1
107.05672	1.3
107.08606	1.5
108.04472	1.3
109.02859	1.4
109.98901	1.7
110.06066	1.2
111.08094	1.6
116.98576	1.3
117.03394	5.7
119.04904	3.5
121.06496	22.1
121.10093	0.9
125.02285	0.9
130.96307	2.5
131.04916	16.2
134.03616	1.2
135.04395	2.0
135.08012	0.8
136.03928	1.2
139.07506	1.5
145.02837	13.0
147.04372	1.9
148.97421	1.9
149.05966	29.3
149.09712	1.2
150.06462	0.8
153.97855	1.7
159.04410	15.7
163.03902	3.3
167.03398	1.1
167.06998	1.0
171.98981	1.8
175.03909	6.8
177.05458	100.0
194.15417	3.1
195.06511	18.3
195.15755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.29167	0.4
51.65414	0.4
53.03936	0.6
55.05510	0.5
63.02349	0.4
66.66232	0.4
67.05505	0.5
68.96313	0.7
70.05144	0.8
70.05466	0.5
77.03918	0.6
78.04723	0.5
79.05517	2.2
81.03425	1.0
81.07039	0.7
83.04971	0.5
84.08136	1.0
85.35104	0.4
89.03912	14.5
89.06039	1.7
91.05482	5.1
93.07050	4.8
94.09335	0.4
95.04970	2.9
95.08636	0.6
97.06512	1.1
98.97591	1.3
100.02454	0.4
101.97957	0.4
103.05452	2.6
105.04518	0.9
105.07004	0.9
106.04170	1.6
107.04964	1.8
107.08591	0.8
109.98925	0.5
111.04438	0.6
111.08095	1.1
116.98614	1.2
117.03376	31.9
118.03643	0.4
119.04913	0.4
119.08629	0.6
121.06470	3.3
125.05983	0.6
130.96321	1.1
131.04910	1.0
131.08549	0.7
134.02687	0.7
134.03613	5.4
135.04396	4.6
137.09634	1.0
138.06638	0.7
139.07535	1.6
145.02841	68.0
146.03261	0.6
148.97340	1.1
149.05980	16.3
149.07159	0.9
149.09673	0.5
149.13220	0.4
153.05368	0.8
153.13869	0.8
153.97873	1.2
159.04324	0.4
162.03127	1.8
163.03902	7.8
167.07004	0.6
171.98975	1.2
177.05466	100.0
178.05765	1.3
186.05452	0.6
194.15416	1.9
195.06459	2.3
195.08180	0.6
195.11377	0.6
195.15750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.54371	0.3
55.05499	0.7
56.96579	0.4
57.03442	2.5
57.03682	0.3
57.07082	0.4
59.05004	0.4
67.05500	1.4
68.96321	0.3
69.07074	0.8
70.49036	0.4
71.45975	0.3
71.95257	1.1
73.30614	0.3
79.05496	4.6
81.07056	2.3
83.04980	0.6
85.21299	0.3
89.06029	7.4
91.05476	7.6
93.07042	12.7
95.05000	0.6
95.08619	1.3
100.02480	0.9
105.07029	4.6
107.08591	100.0
108.08901	0.7
109.06496	2.5
109.10149	0.4
109.98944	0.6
117.06983	0.4
118.03530	0.9
119.06078	1.8
119.08568	1.9
120.09364	0.7
121.06488	0.8
121.10139	9.2
121.10994	0.6
130.96286	0.9
130.98923	0.4
131.96170	0.4
133.10127	0.6
135.11690	79.0
136.12006	1.1
145.10139	1.0
148.97336	1.2
149.01205	0.4
149.97238	0.5
153.09174	0.6
153.97867	0.6
163.03879	0.6
163.11179	8.6
171.98930	0.9
195.07933	0.6
195.13811	5.4
195.15704	1.1
197.74928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	2.1
55.01866	2.6
55.05510	21.7
57.03436	6.1
57.07073	2.4
62.99013	1.2
65.03938	2.4
67.05501	77.3
69.03396	2.3
69.06709	1.6
69.07063	18.4
71.01351	1.8
71.04988	6.4
77.03909	2.2
79.05488	41.9
81.03415	14.0
81.07052	100.0
83.04972	12.4
83.08622	16.6
85.06544	3.1
91.05478	34.4
93.07042	58.8
95.04956	7.7
95.08601	30.2
97.06512	12.5
99.08041	1.6
105.07024	11.3
107.04964	1.6
107.08592	30.5
109.06482	3.2
109.10146	4.9
111.08079	6.2
117.07014	12.9
119.08569	3.0
121.06520	3.7
121.10145	10.1
123.11724	3.8
128.53650	1.3
131.08556	12.7
133.10115	27.0
135.08061	3.6
135.11690	28.5
149.13254	20.5
151.11194	3.2
153.09108	2.4
159.11696	16.6
165.26756	1.1
168.21675	1.3
171.05437	1.1
177.12703	10.1
195.13789	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02396	0.5
53.03949	1.7
55.01872	2.7
55.05509	19.9
57.03436	5.1
57.07068	1.8
59.04989	0.7
61.71648	0.4
65.03928	2.5
67.05501	71.0
69.03419	1.3
69.07063	18.6
69.42604	0.5
70.56584	1.0
71.01356	2.2
71.04993	5.4
73.02908	1.1
76.12937	0.4
77.03937	1.3
79.05489	42.3
81.03414	12.9
81.07053	100.0
83.04469	0.6
83.04974	11.9
83.08614	14.9
85.02907	0.6
85.06539	4.3
87.04453	0.6
89.06012	0.6
91.05476	37.5
93.07041	54.8
95.04963	7.7
95.08603	27.8
97.06522	10.9
97.07111	0.8
97.10165	1.3
98.06722	0.5
99.04469	0.8
99.08091	1.6
105.04507	1.8
105.07026	13.7
107.04948	2.1
107.08588	28.0
109.06483	3.0
109.10144	2.7
111.08071	5.4
113.06025	0.6
113.09684	0.8
117.07009	13.7
119.08578	3.0
121.06503	5.1
121.10136	11.3
123.08045	1.1
123.11698	3.1
127.07520	0.7
129.07051	0.6
130.96306	0.6
130.97386	0.4
131.02399	0.5
131.08556	13.1
131.47011	0.5
133.10123	25.8
135.08084	3.6
135.11687	24.8
139.07553	0.6
139.11211	0.6
144.09308	0.9
147.11670	0.8
149.09601	1.3
149.13249	18.1
151.11226	3.2
159.11688	15.5
177.12712	9.5
195.13792	17.9
195.15536	0.6
196.14195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02365	0.9
53.03935	2.5
53.05520	0.8
53.63120	0.8
55.01874	4.1
55.05263	1.4
55.05512	22.0
57.03226	0.8
57.03437	9.5
57.07066	2.3
65.03944	1.9
66.71082	0.9
67.05504	76.3
69.03421	1.8
69.07071	21.1
71.01342	1.6
71.04990	9.2
73.02924	1.4
74.58305	0.8
77.03924	1.7
79.05492	53.2
81.02960	1.6
81.03420	27.7
81.07056	100.0
83.04981	28.8
83.05492	1.0
83.08624	11.3
85.02917	1.0
85.06535	4.0
89.06010	1.8
91.05478	35.3
93.07043	74.4
95.04958	10.7
95.08604	36.3
97.06530	15.9
97.10130	1.3
98.22694	1.6
99.08092	2.5
100.02480	1.6
105.04494	1.1
105.07021	14.1
107.04944	3.5
107.08591	27.9
109.06528	5.6
109.10143	3.2
111.08097	6.1
113.09616	1.5
117.07014	18.5
119.08589	3.8
121.06511	10.5
121.10140	10.3
123.11713	1.5
129.07034	1.1
131.08557	17.1
131.09468	1.6
133.10124	20.6
135.08064	6.2
135.11693	26.1
139.11171	1.2
146.50807	0.8
147.11620	1.5
149.09619	2.0
149.12099	1.5
149.13255	23.1
151.11168	1.9
159.11694	23.8
177.12735	12.8
195.13811	32.6
200.24788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03944	2.5
53.55717	2.6
55.01872	3.3
55.05512	33.3
57.03435	19.6
57.07071	5.2
67.05506	40.2
69.03419	6.8
69.07067	52.9
70.53271	4.3
71.04990	23.2
71.95267	4.0
77.03939	3.0
79.05495	63.7
81.03416	8.7
81.07051	69.8
81.07501	4.7
83.04978	7.0
83.08628	11.9
85.06548	5.6
89.06016	4.8
91.05474	44.8
93.06445	4.9
93.07040	100.0
95.04976	18.0
95.08604	31.1
97.06523	10.0
105.04545	3.9
105.07034	28.5
106.72060	2.2
107.04963	8.5
107.07924	5.1
107.08596	64.1
109.06528	14.7
109.10174	6.2
111.08063	3.0
115.05474	3.7
117.07008	29.6
119.08586	25.3
121.06496	17.6
121.10139	20.5
122.07248	2.6
123.08077	21.6
129.06995	6.2
130.07759	4.5
130.96317	3.1
131.08554	38.4
133.10147	10.2
135.08057	11.8
135.11707	12.0
137.09639	4.5
144.09361	8.5
145.02853	2.7
148.97440	3.0
149.13251	21.7
159.11697	24.2
163.03996	3.7
171.98981	3.0
177.05498	3.2
177.12772	11.0
195.13867	6.9
195.15714	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	3.3
55.01868	4.0
55.05513	22.8
55.85843	1.2
57.03434	6.3
57.07067	1.8
65.03924	3.2
67.05508	72.4
68.27282	1.2
69.03387	1.7
69.07072	15.8
69.43112	5.0
71.01355	2.4
71.04977	5.6
71.95251	4.1
72.10868	1.2
73.02916	1.6
73.52549	1.2
77.03930	1.8
79.05500	49.7
81.03410	14.8
81.07058	100.0
83.04986	31.3
83.08627	10.2
85.06544	4.5
89.06026	4.6
91.05485	32.0
93.07047	73.3
95.04968	12.4
95.08024	2.3
95.08613	44.4
97.06532	19.0
97.99200	1.2
98.23064	4.6
99.08088	3.3
100.02476	2.8
105.04517	2.7
105.07048	15.5
107.04963	3.0
107.08595	28.3
108.94484	1.3
109.06525	7.1
109.10131	1.6
111.08096	6.6
117.07022	17.5
119.08575	4.3
121.06502	6.3
121.10153	10.4
123.08057	3.1
123.11679	1.5
130.96332	2.2
131.08571	18.2
133.08533	1.8
133.10123	15.9
135.08063	4.9
135.11696	25.9
144.09364	1.3
147.11656	1.5
148.97348	2.1
149.09616	1.9
149.13284	15.8
149.97223	1.3
151.11214	2.2
153.97929	1.8
159.11710	21.2
163.81046	1.3
171.77997	1.2
171.98885	1.8
177.12711	11.8
195.13815	30.7
195.15585	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02041	1.0
51.62006	1.1
51.79959	1.2
52.08949	1.0
53.03942	3.3
55.01865	3.4
55.05507	20.4
57.03434	6.7
57.07064	1.7
65.03934	2.9
67.05499	78.1
69.03423	2.2
69.07061	17.1
69.55156	3.9
71.01350	1.8
71.04995	6.5
71.95273	1.3
73.02894	1.1
79.05487	60.4
81.03410	14.3
81.07052	100.0
83.04974	32.8
83.08607	8.8
85.06532	3.0
89.06009	1.4
91.05473	37.6
93.07037	78.0
93.52238	1.1
95.04973	14.6
95.05547	1.9
95.08597	46.7
97.06522	17.3
97.10183	1.6
98.23516	1.4
99.08109	2.0
105.04504	4.6
105.07024	15.4
107.04977	3.6
107.08585	28.5
109.06532	6.6
109.10168	3.9
111.08073	6.4
117.07012	20.6
119.05027	1.4
119.08597	4.0
121.06506	7.6
121.10129	9.0
123.08099	1.7
129.07011	1.2
130.96338	1.1
131.08554	21.1
133.10120	14.7
135.08040	4.5
135.10649	1.4
135.11671	24.6
139.07556	1.3
143.47057	1.1
144.09340	1.6
149.09630	2.0
149.13249	19.0
159.11691	26.8
159.12949	2.1
177.12730	14.1
195.13791	33.0
195.15573	1.7
204.83704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02385	0.7
53.03936	3.0
55.01868	4.7
55.05509	20.7
57.03436	7.1
57.07069	2.3
59.04988	0.8
65.03948	3.1
67.05502	75.6
69.03427	2.4
69.07064	18.3
69.56367	2.0
71.01350	1.2
71.04986	6.8
71.95256	0.5
73.02927	0.9
73.79452	0.5
74.81497	0.7
75.81046	0.6
77.03919	1.1
79.05490	51.3
80.05857	0.6
81.03415	25.1
81.07053	100.0
82.07393	0.8
83.04980	28.0
83.08614	12.1
85.06539	4.3
85.20109	0.6
89.06020	0.8
91.05476	34.7
92.48367	0.5
93.07040	69.6
94.07381	0.7
95.04967	12.2
95.08601	38.7
96.16782	0.6
97.06525	17.2
97.10161	1.0
99.08096	2.0
105.04537	2.0
105.07015	12.5
107.04933	2.6
107.08590	27.6
109.06511	4.4
109.10146	4.3
111.04408	0.7
111.08069	5.4
113.05999	0.8
113.09631	0.8
115.05475	1.4
117.07014	17.2
119.08573	3.9
121.06496	10.2
121.10145	9.6
123.08066	1.6
123.11691	1.0
129.07013	0.7
130.07800	0.6
131.08569	16.8
133.10129	19.0
135.08052	5.5
135.11687	22.6
139.07504	0.6
144.09335	0.8
147.11667	1.4
149.09615	1.8
149.13249	18.7
151.11150	1.5
157.10109	0.7
159.10356	1.2
159.11685	20.2
177.12735	11.8
195.13800	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01874	2.7
55.93518	0.3
57.07061	0.4
65.03940	1.1
67.05503	1.8
69.07067	0.5
70.69339	0.6
70.95865	4.0
72.93786	1.4
73.02920	23.1
74.87222	0.3
77.03925	0.5
79.05520	0.4
81.07063	0.4
84.04522	0.5
86.09697	0.5
88.96898	0.5
91.05487	2.5
93.03416	1.1
95.04960	1.3
105.04557	0.4
105.07027	0.3
107.08601	0.5
108.02104	2.2
109.10164	0.3
110.03664	1.9
111.04424	1.5
111.98486	4.2
114.94823	0.4
119.04964	1.7
123.04408	0.4
125.05998	19.5
129.99533	1.5
132.95836	8.0
133.10152	0.4
135.11729	0.4
136.01573	0.5
137.05965	1.0
141.05478	2.0
149.05988	2.6
150.96898	7.4
151.03914	100.0
151.05009	9.2
151.07422	3.2
152.04251	1.1
155.97421	6.9
173.98502	7.6
179.07036	22.3
179.10616	0.8
181.46602	0.4
196.91840	0.3
197.08078	9.3
197.11739	0.6
198.18530	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03947	0.8
55.01867	2.6
55.05510	29.9
57.03436	4.7
57.07070	3.6
59.04997	1.3
63.42059	0.9
65.03935	0.9
67.05504	33.4
67.05870	1.7
69.03441	1.6
69.07065	30.1
70.95866	7.7
71.01369	0.8
71.04989	15.7
71.05351	1.3
71.08642	1.0
72.93787	3.0
73.06565	1.0
79.05489	17.7
81.07054	79.9
82.40810	0.7
83.04983	6.8
83.08614	23.0
85.06539	19.9
88.96900	0.9
91.05479	23.3
93.07040	25.2
95.04971	2.2
95.08602	100.0
97.06528	32.1
97.10168	10.8
99.08091	7.9
101.06024	2.3
105.04507	0.8
105.07025	25.2
107.08589	11.6
109.06525	4.3
109.10164	8.1
111.08079	6.6
111.98481	9.5
113.09668	1.8
115.07604	0.9
117.07035	2.0
119.08577	39.8
121.10140	10.5
122.21075	0.8
123.08073	8.7
123.11713	1.8
127.07586	1.1
129.99536	2.7
131.08485	1.0
132.95839	14.7
132.96774	1.3
133.10127	23.8
135.10654	1.1
135.11690	19.8
137.09647	2.7
137.13255	18.3
141.09143	0.9
150.96884	14.4
151.14795	1.2
155.10660	1.1
155.97421	11.4
155.98628	0.9
159.11620	0.8
161.13257	67.7
162.13683	1.0
167.08456	0.9
169.95226	0.8
173.98482	12.9
179.10703	1.4
179.14299	34.4
179.48070	0.8
197.11705	1.1
197.13469	1.8
197.15350	18.9
197.17172	1.0
197.20131	12.1
198.18524	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85416	0.4
55.01860	1.3
55.05512	5.5
57.03436	1.1
57.07073	2.8
58.06605	0.4
60.07881	0.5
60.08166	8.7
60.59400	0.3
60.97083	0.4
61.02920	0.6
67.05492	0.8
68.05031	2.4
69.03437	2.3
69.07068	5.1
70.02229	1.1
70.06234	0.7
70.06591	9.0
71.04978	0.7
71.08608	1.1
72.04504	0.6
73.02900	0.9
78.53114	0.4
79.05482	1.5
81.03396	0.5
81.07040	1.3
82.01434	1.2
82.06593	0.7
83.08620	4.4
84.08129	0.5
85.01402	0.7
85.02902	13.0
86.06067	1.1
93.07034	1.4
95.06091	35.8
95.08595	1.4
96.08125	0.6
97.02898	2.5
97.06524	1.1
97.10172	3.0
98.23428	0.4
99.04432	0.9
100.02492	4.0
100.07607	1.0
101.00885	0.8
103.02478	1.8
107.08583	0.8
109.02907	0.5
111.08067	0.4
115.03925	0.5
118.03525	2.2
119.01904	1.6
121.03431	0.5
121.10154	0.6
126.04025	0.8
127.03916	4.9
129.00346	0.7
131.01880	1.1
133.03453	0.5
137.02969	0.8
145.04950	6.0
147.01410	1.9
154.03497	0.7
154.13383	10.4
163.06017	1.3
170.02972	3.9
170.06650	1.3
175.04631	0.4
175.06306	0.4
179.98085	0.9
180.04987	0.3
180.08679	0.5
188.07719	0.5
197.99188	1.7
198.06117	1.8
198.12485	2.9
198.18526	100.0
199.18861	1.2
216.07213	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03938	3.3
55.01863	3.0
55.05508	27.7
56.96543	2.7
57.03440	24.4
57.07070	5.4
57.93562	2.1
67.05502	68.8
69.07066	24.8
70.57456	3.5
71.01349	12.5
71.04998	6.1
72.04517	5.4
73.77066	1.8
74.09709	29.3
77.03943	1.8
79.05493	61.1
81.02998	1.8
81.03399	9.9
81.07057	34.3
83.04980	21.5
83.08619	11.1
84.08984	1.8
85.06543	5.6
91.05474	24.6
93.07044	73.3
95.04974	7.7
95.08608	7.3
97.06527	21.5
97.10152	9.3
98.97581	63.7
99.08112	5.6
100.07627	11.5
105.07038	5.7
107.04936	2.1
107.08595	41.4
109.10148	3.9
111.08088	4.6
116.97263	25.5
116.98615	35.0
117.07014	11.4
119.08595	7.7
121.10150	15.1
129.06998	2.4
131.08583	4.3
131.99602	3.7
133.10133	5.4
134.95892	5.2
134.99660	14.9
135.11690	100.0
137.09619	2.4
139.98784	2.6
140.00220	4.2
143.08597	3.7
145.10114	17.4
152.96994	5.4
153.12727	2.4
157.10196	5.3
157.97551	4.2
158.01300	6.6
163.11168	16.2
175.98529	24.7
176.02301	13.8
181.12222	9.8
191.82991	2.5
198.18535	36.4
199.00334	2.8
199.14909	17.7
199.18901	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22791	0.3
55.05511	0.4
56.96571	3.1
57.03440	0.4
58.06603	33.9
59.06120	0.6
59.07384	9.5
69.03430	0.3
69.72980	1.3
70.06601	3.3
72.08164	3.4
73.02934	0.4
74.09724	42.1
75.10065	0.4
80.76937	0.3
82.99891	0.7
93.14775	0.3
98.22774	0.5
98.97591	41.4
100.02499	0.7
100.07619	2.7
101.00895	3.3
103.00748	0.3
113.00861	0.8
114.07676	0.9
116.98632	25.5
118.03534	0.6
119.01927	8.9
128.07111	1.3
131.01927	2.4
131.13884	0.3
132.08725	0.9
133.03508	1.2
134.99664	9.6
137.02942	1.7
140.00209	0.9
141.06371	1.4
142.03552	0.3
142.04910	0.5
142.12250	0.4
149.02968	0.9
151.04559	0.4
153.00710	0.9
154.03471	0.8
156.08716	5.1
158.01273	1.4
158.06633	15.6
158.99593	0.4
159.01448	0.5
172.04608	0.8
172.06410	0.4
172.08177	1.3
173.05321	2.4
174.09779	18.5
175.10007	0.4
176.07695	42.5
177.00746	1.5
177.02499	1.1
177.07779	0.7
191.06381	3.2
194.08772	0.8
195.01799	0.8
195.03471	0.5
197.11391	0.6
199.09468	0.4
199.18901	1.0
200.07695	80.4
201.02440	0.8
201.07849	1.4
218.08752	100.0
219.03519	0.8
219.08986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0907
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
59.93099	1.0
69.80308	1.8
73.19320	0.5
75.10072	0.6
79.05481	1.8
91.05466	1.0
92.79556	0.7
93.11974	0.5
98.23394	1.0
98.97588	0.8
99.97880	0.6
105.06998	0.9
115.05452	14.1
117.06999	1.9
118.96756	8.2
127.05481	0.6
128.06215	50.8
129.06999	2.4
130.07759	1.0
131.08539	0.8
133.99066	1.7
135.04388	1.1
136.95413	1.0
141.07002	3.5
142.07750	1.0
143.04932	5.9
143.08556	74.2
144.08896	0.7
145.06474	2.4
145.10121	1.8
146.29573	0.6
152.06197	1.2
153.06996	1.8
154.96463	2.6
155.06010	3.7
156.05669	1.0
157.06488	2.9
158.07233	2.3
159.04401	1.8
159.08075	1.0
159.97092	1.0
160.05109	1.8
161.05995	0.9
169.06465	0.8
171.04335	1.8
171.08041	65.5
172.05200	9.1
172.97510	0.7
173.05983	30.3
177.98039	4.8
185.05971	1.9
186.06738	11.1
200.19016	0.6
201.09096	100.0
202.09659	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
57.07070	1.8
67.05503	7.5
69.07066	3.9
70.70315	0.9
71.08614	1.4
75.37351	0.6
79.05481	6.5
81.07055	17.4
83.08604	1.3
91.05470	9.7
93.07041	18.2
95.04933	1.5
95.08601	16.1
95.09206	0.9
98.97551	1.9
105.07024	24.0
105.07736	1.2
105.24960	0.7
107.08585	22.4
109.06509	0.9
109.10130	6.3
115.05437	0.8
117.07011	10.4
118.96751	3.5
119.06099	0.7
119.08578	19.6
121.10140	11.7
128.06190	1.3
129.06969	2.9
130.07788	5.0
131.08560	29.8
133.10118	7.2
133.99109	1.2
135.11691	1.1
143.08545	3.7
144.09355	3.4
145.10115	78.7
146.10912	4.1
147.11594	1.3
154.96512	0.6
157.10104	3.4
158.10886	1.7
159.11687	48.1
171.11696	1.7
172.12480	1.3
173.05946	0.6
173.13245	16.3
177.98061	2.7
186.14003	1.5
199.14848	1.3
201.16368	100.0
202.16679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
50.73687	0.5
55.05521	0.8
57.07076	3.0
59.93110	0.7
67.05505	2.7
69.07053	1.0
70.06614	0.5
71.08638	4.6
77.94125	0.5
79.05521	1.4
81.07046	2.8
83.37293	0.5
85.05971	0.5
91.05466	3.4
91.21584	0.4
93.07025	3.0
95.08622	3.3
98.23514	1.1
105.07027	14.1
107.08577	3.3
109.10181	1.7
113.90370	0.5
115.05405	0.6
117.07016	5.7
118.96748	8.4
119.08578	7.0
121.10150	2.0
124.31144	0.5
128.06329	0.7
129.07034	1.3
130.07780	6.6
131.08571	17.3
133.10146	1.3
133.99097	1.8
135.10684	0.5
136.95447	0.8
141.98343	1.2
142.07730	0.6
143.08556	2.8
144.09340	1.8
145.10120	100.0
146.10521	1.8
150.01035	0.5
154.96472	3.2
157.10129	0.9
158.10912	0.7
159.03122	0.5
159.11691	22.4
159.96951	1.0
173.13243	6.6
177.98071	8.9
190.93156	0.6
200.99683	1.4
201.16367	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.51088	0.9
53.03939	1.5
55.05508	5.9
56.58304	1.0
57.07064	3.4
62.64842	1.0
64.76064	1.0
66.77449	1.1
67.05492	10.2
69.03410	3.4
69.07081	6.6
69.43298	5.3
71.08608	2.5
74.42011	1.0
74.97189	1.0
79.05487	9.7
81.07056	20.8
83.08609	2.0
91.05473	15.9
93.07045	23.4
95.04978	1.9
95.08607	21.9
98.23439	2.1
98.97563	3.0
99.97942	1.2
105.06348	2.0
105.07029	33.0
107.08591	28.2
109.10162	7.3
115.05450	2.1
116.98639	1.2
117.07001	13.5
117.98923	1.1
118.96751	10.9
119.08577	22.0
121.10139	15.2
128.06186	1.5
129.07021	4.8
130.07774	7.4
131.08560	42.0
133.10138	8.9
133.99104	2.4
136.95389	1.6
143.08537	4.3
144.09361	6.1
145.10118	90.9
146.10919	10.1
147.11642	2.2
154.96423	3.1
157.10124	5.5
158.10907	2.6
159.11684	55.1
171.11708	2.3
172.12421	2.1
173.13255	16.5
177.98055	8.4
184.03360	2.5
201.08995	2.6
201.16373	100.0
202.16690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05499	2.3
57.07059	2.2
67.05508	5.7
69.07063	4.2
71.08638	0.5
71.46198	0.5
79.05491	4.8
81.07056	12.9
83.08585	1.0
91.05476	8.9
93.07043	13.9
95.04963	1.0
95.08601	15.4
98.97559	1.0
103.05463	0.9
105.07033	18.1
107.08592	18.8
109.06519	1.1
109.10166	4.4
115.05477	1.1
116.06156	1.1
116.98619	0.9
117.07018	10.5
118.96758	4.0
119.08588	16.5
121.10132	8.2
128.06143	0.8
129.06990	3.0
130.07796	4.1
131.04895	1.1
131.08568	26.5
133.10127	10.7
133.99110	0.7
141.06955	0.7
143.08533	3.5
144.09340	4.1
145.10120	58.4
146.10896	3.1
147.11661	1.7
154.96468	1.4
157.10147	4.3
158.10918	1.7
159.11688	48.0
166.05197	0.5
171.11684	2.0
172.12509	1.3
173.13246	15.2
177.98071	3.1
186.14030	2.5
199.14793	0.7
201.05505	0.9
201.16379	100.0
202.16629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
60.05646	1.7
60.58257	0.6
70.06600	0.8
71.04982	8.0
72.08151	37.9
73.04025	1.0
88.07631	4.4
89.92464	0.6
97.07654	5.0
98.06049	1.5
100.07619	14.3
100.08237	1.2
114.10287	29.5
115.08685	12.2
141.12727	1.1
141.13858	31.8
142.12265	100.0
143.12587	1.0
143.92017	0.6
154.81108	0.6
159.14894	5.5
172.34340	0.6
184.14444	49.7
190.52681	0.8
201.17096	96.2
202.17427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
60.05639	1.8
65.79036	0.5
71.04987	5.9
71.35942	0.7
72.08154	36.9
73.04057	0.9
86.41063	0.5
88.07635	4.0
96.61583	0.6
97.07643	5.7
98.06043	1.5
98.97569	1.6
100.07616	14.9
114.10287	32.8
115.08686	12.3
118.96763	0.7
131.13042	0.6
141.12747	1.4
141.13861	35.0
142.12267	100.0
143.12631	0.8
159.14966	3.7
184.14450	48.5
201.17099	97.4
202.17393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05499	0.4
57.39643	0.2
57.98784	0.3
65.03925	0.6
65.19238	0.2
70.99552	0.6
78.94777	0.2
80.05022	0.4
84.08134	0.3
85.01125	2.7
85.41125	0.2
87.02674	0.4
88.07629	1.0
94.32690	0.2
97.01110	0.2
98.22631	0.4
103.02172	0.5
105.06994	0.3
111.01360	0.2
112.02193	4.1
113.02968	0.3
115.02113	0.3
118.96725	0.2
122.49075	0.2
139.44592	0.2
140.01631	3.2
146.10379	0.2
150.02776	0.2
152.01614	0.4
157.01985	0.9
158.02701	1.5
159.11644	0.2
160.07574	0.9
170.01176	0.4
170.02693	11.6
188.03751	100.0
189.04028	0.7
190.04175	0.3
202.05321	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54516	0.7
67.50947	0.6
71.32754	1.0
82.99844	2.8
88.85619	0.6
100.02467	2.9
101.00872	33.1
110.25366	0.7
116.98579	0.6
118.03500	3.2
119.01914	100.0
119.96651	0.7
120.02073	2.1
124.02425	4.9
137.02956	21.5
142.03493	47.6
143.01906	1.0
143.03601	1.3
160.04547	27.3
161.01608	1.5
161.02953	27.3
161.04456	1.8
178.00972	0.9
178.05573	5.8
179.03999	40.4
179.05276	1.5
179.98166	0.8
184.04543	1.9
197.99251	2.0
202.05611	2.0
220.02049	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47568	0.8
55.05494	1.2
58.06594	2.5
62.06087	0.9
64.03868	0.9
66.92567	0.8
69.93193	2.8
70.06577	2.8
71.06107	0.8
72.08154	3.2
74.09715	1.6
82.06577	11.7
82.99851	3.1
84.08168	4.0
86.06055	1.0
86.09692	4.0
96.08113	1.5
98.22703	0.8
98.97579	2.5
100.02481	2.0
100.97183	2.3
100.97959	1.0
101.00873	33.7
101.01545	1.6
102.00948	1.1
102.05500	0.9
102.09145	1.6
102.39948	0.9
105.62004	0.8
106.17576	0.8
112.07566	1.4
112.11249	1.9
116.07082	1.1
118.03498	2.8
119.01913	100.0
120.01995	6.3
124.02433	3.9
124.07634	4.3
128.07069	32.2
128.10719	2.9
130.08630	4.5
131.01883	1.0
132.02051	1.1
134.03548	1.6
137.02950	23.6
138.03059	1.8
142.03491	40.3
142.12279	0.9
143.03638	1.0
156.10211	10.8
160.04541	26.1
161.02957	28.7
161.04460	2.1
171.14586	1.1
176.09476	1.3
178.05617	5.2
178.07365	1.5
179.03999	44.4
184.04510	1.5
185.16484	3.3
197.99138	1.3
201.17068	1.2
202.02466	1.3
202.05560	3.1
202.07426	4.0
202.10727	11.8
202.14343	3.5
202.17647	1.6
202.19257	2.7
203.15121	1.3
220.02086	2.5
220.03894	1.4
220.08540	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.106
Annotation	Tremetone
Peak:m/z	Relative Intensity
53.22813	0.2
69.97889	0.3
71.68078	0.2
86.79439	0.1
91.05514	0.5
95.98418	0.2
100.18423	0.2
105.07042	0.2
115.05439	1.1
115.39339	0.2
117.07039	1.1
121.06545	0.3
127.05451	0.2
128.06206	3.2
128.07042	0.2
129.07019	3.2
129.07950	0.2
131.04935	0.4
131.08609	0.7
132.05655	0.2
137.05998	0.3
138.06773	0.5
141.06981	1.3
142.07829	1.4
143.04897	0.3
143.08568	2.4
144.05736	0.6
145.06491	8.2
155.06114	0.5
156.05650	1.0
157.06499	3.2
158.07295	2.1
159.08055	17.7
160.05186	0.8
160.08748	1.9
161.06021	0.7
169.06412	0.3
169.07698	0.3
170.07314	0.4
171.08067	1.3
172.08832	16.1
173.05986	11.5
173.09335	0.8
174.06688	0.6
175.07555	1.4
175.11050	0.3
187.07565	1.1
188.08319	32.3
189.08734	0.4
201.05469	0.7
203.06956	2.8
203.10666	100.0
204.10992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.05495	1.3
55.93509	1.2
56.96575	3.6
69.07038	1.0
70.06592	11.8
70.69472	0.8
70.69805	0.9
71.06105	3.2
72.05301	0.8
72.08148	1.9
81.07044	0.8
82.01430	1.3
84.08127	2.5
86.09700	100.0
87.04519	0.8
87.10052	1.1
88.08779	3.6
91.19866	0.8
98.22780	0.9
98.97591	4.3
100.02477	4.4
101.00863	1.9
102.96851	1.5
112.11208	1.6
114.10220	0.9
115.08690	1.2
116.07079	5.9
116.98605	2.5
118.03526	2.0
119.01908	6.0
120.02003	1.9
120.96505	1.9
120.97898	1.6
129.13892	1.3
129.48802	0.7
132.10193	86.2
132.51048	0.8
133.09683	0.9
134.99655	1.4
137.02972	1.4
138.98933	0.8
143.03442	1.1
144.12820	1.7
157.13347	14.0
158.09230	0.9
158.11768	3.8
158.12830	1.4
159.12117	0.9
161.02957	2.5
172.10815	1.5
175.05928	1.0
179.03967	1.8
179.97980	2.9
185.12859	1.3
186.15062	2.5
197.99171	3.1
203.05293	3.3
203.08200	1.1
203.13779	4.3
203.15103	4.8
203.17676	3.6
204.12097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03938	0.7
53.87410	0.5
55.05505	4.4
57.07064	1.0
67.05499	17.7
69.06755	0.7
69.07070	6.6
70.52832	0.9
70.53175	0.7
71.08624	0.7
76.11240	0.5
77.03908	1.2
77.54227	0.8
79.05096	0.8
79.05492	7.9
80.94878	0.6
81.07052	35.5
83.08604	2.0
91.05473	10.1
93.07039	20.0
95.04950	0.9
95.08601	58.6
95.58269	0.6
97.10139	1.1
105.07025	34.4
107.08589	35.9
109.10150	41.9
119.08571	29.3
121.10136	14.3
123.11698	7.3
124.59196	0.6
131.08519	1.3
133.10123	20.7
135.11684	4.0
145.10110	2.4
147.11676	43.1
148.12170	0.9
159.11658	1.3
161.11897	0.8
161.13245	14.7
164.35658	0.5
175.14812	6.0
203.17937	100.0
204.18336	1.5
206.09148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.08501	1.1
55.05513	9.1
56.07104	1.3
56.39064	1.0
57.07068	1.7
64.98225	1.1
65.03902	1.4
65.24272	1.0
67.05157	1.8
67.05504	27.5
68.10998	1.2
69.07071	14.9
69.47157	5.0
79.05492	9.9
81.07059	52.3
83.08610	5.5
91.05478	12.1
93.07043	18.4
95.04941	1.1
95.08607	60.6
97.10163	1.8
105.07034	54.7
107.08598	29.7
109.10161	68.0
117.07045	1.9
119.08582	43.1
121.10148	21.4
123.11713	8.6
129.06943	1.2
131.08553	2.9
133.09180	2.0
133.10138	31.8
135.11711	6.6
145.10094	4.3
147.11690	73.2
148.12474	1.3
159.11707	2.4
160.12503	2.5
161.13277	20.1
175.14819	7.8
197.77893	1.2
203.10629	1.7
203.17957	100.0
204.10915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05505	4.8
57.07048	1.0
67.05498	13.8
67.88705	1.2
69.07067	7.0
70.70269	1.2
79.05495	6.6
80.41999	0.8
81.07059	34.1
83.08626	1.0
83.47925	1.1
91.05456	8.2
93.07050	13.0
95.08607	58.3
97.10168	1.2
105.07030	28.8
107.08588	30.6
109.10152	33.8
119.08575	25.1
121.10136	10.0
123.11714	4.6
131.08609	1.2
133.10130	18.8
135.11676	2.9
145.10100	1.5
147.11687	43.8
147.12878	2.1
153.82716	0.9
159.11731	1.1
161.13252	14.3
175.14850	5.1
189.38304	0.9
192.28499	0.9
199.82973	0.9
203.17950	100.0
203.21960	11.0
204.18057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0656
Annotation	Anibine
Peak:m/z	Relative Intensity
50.61129	0.3
57.07069	0.4
58.97244	0.3
67.04238	0.4
70.06581	0.5
70.97398	0.5
71.06090	0.3
72.08164	0.4
74.96240	0.3
79.05501	0.5
82.57343	0.3
84.08121	0.5
102.96873	1.1
103.00610	0.8
103.05450	1.2
105.07018	1.2
106.06545	6.3
107.04960	1.0
115.05441	4.3
116.04958	0.9
117.05769	2.6
117.06998	0.4
119.01884	0.5
120.01983	0.9
120.97893	0.7
121.01645	2.4
130.06537	2.4
131.04932	2.7
131.07228	0.4
132.08083	5.9
133.05255	0.4
133.06453	1.1
134.06006	55.9
139.02716	0.7
142.06512	0.7
143.07295	0.7
144.03236	1.0
144.05539	1.7
149.02338	0.4
158.04695	0.6
158.06013	11.8
158.07976	0.7
159.06790	9.6
160.03938	1.4
160.07573	22.3
162.05490	100.0
163.02684	0.5
163.05817	0.9
176.07097	0.7
181.03751	1.0
186.05501	9.6
198.99312	0.4
204.06552	50.2
205.06927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1749
Annotation	2-Pentyl-1,2,3,4-tetrahydroquinoline
Peak:m/z	Relative Intensity
55.05512	0.3
55.66710	0.2
59.25248	0.2
64.25801	0.2
69.37299	1.1
71.08633	2.2
79.05506	0.2
80.04998	0.2
82.07395	0.2
87.45078	0.2
88.39479	0.2
91.05466	0.4
93.07037	0.4
95.08629	0.4
96.08935	0.3
98.22676	0.4
101.55313	0.2
102.96877	0.5
104.74760	0.2
105.07026	0.6
106.07369	0.4
107.08613	0.3
115.05503	0.3
117.07027	0.5
118.06520	3.2
119.07321	3.5
119.08569	0.3
120.08884	0.3
120.97868	0.3
121.02803	0.2
132.04443	0.4
132.08122	0.4
134.09654	50.0
135.09935	0.3
145.10141	0.3
148.12135	0.4
149.02344	1.0
188.14281	0.3
204.17465	100.0
205.17784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02200	0.2
53.62554	0.2
55.05519	0.3
65.00283	0.2
69.42928	1.0
71.08633	1.9
80.05019	0.3
81.07068	0.6
85.02896	0.2
89.83727	0.2
91.05470	0.3
91.87041	0.2
93.07064	0.5
95.08596	0.5
96.08949	0.3
102.96876	0.4
105.07029	0.6
106.06474	0.2
106.07381	0.3
107.08591	0.6
108.08933	0.4
109.10107	0.3
110.10479	0.2
117.07040	0.9
118.06538	3.1
119.07334	3.7
119.08586	0.3
132.08075	0.3
134.09656	53.7
135.10013	0.3
148.12021	0.6
149.02362	1.1
176.57295	0.2
188.14426	0.3
204.17474	100.0
205.17812	1.1
205.66646	0.2
211.98021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0974
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
70.84001	0.5
74.02434	1.7
89.80090	0.4
91.05466	1.1
98.22729	0.5
110.40460	0.4
115.05450	2.4
117.05789	1.3
117.07005	2.7
118.06548	44.3
130.06544	2.9
132.08096	9.7
142.06546	5.8
143.07303	6.1
144.04456	0.7
144.08090	19.7
146.06013	91.8
147.06325	0.5
149.02339	2.4
155.06068	0.8
159.09183	9.9
160.07593	1.7
160.09425	0.5
166.74800	0.4
170.06006	7.9
188.07077	100.0
189.07391	0.8
205.09760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20033	0.2
53.01346	0.2
53.03942	0.2
55.05498	0.7
57.07059	0.7
58.43723	0.2
65.03939	0.5
67.05501	0.2
69.03419	0.4
69.07059	0.7
69.99720	0.2
71.04984	0.3
71.46452	0.2
76.30477	0.1
77.03922	0.2
78.05614	0.2
78.95248	0.2
79.05486	0.7
81.03368	0.2
81.07047	0.7
83.04958	0.2
85.02901	0.5
91.05479	6.8
91.06062	0.4
93.07064	0.9
95.04938	0.5
95.08591	0.2
97.02898	0.3
99.04423	0.2
103.05475	0.7
104.06225	0.5
105.07027	6.5
107.05000	0.2
107.08580	0.8
109.02876	0.3
115.05460	0.7
117.07014	2.9
119.08577	100.0
120.08916	0.7
121.02881	0.6
121.06490	0.7
121.10167	0.4
127.03929	0.3
129.06993	0.4
130.07768	0.3
131.08556	1.9
133.10115	2.6
135.08038	0.6
135.11687	0.7
140.95355	0.2
144.09355	0.7
145.06429	0.5
145.10141	0.7
146.06003	0.3
147.08055	2.8
149.02342	7.3
149.06009	0.2
149.09665	0.4
155.06042	0.2
159.08057	0.4
159.11705	5.7
161.05981	0.3
161.13251	13.5
163.07558	0.3
163.11195	0.7
163.96875	0.2
167.03456	0.2
172.08899	0.4
173.05957	0.4
174.06639	0.3
177.12682	1.4
181.97876	0.2
187.11195	0.6
190.06148	0.2
205.08516	0.2
205.12202	1.4
206.15266	0.2
219.26314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76859	1.2
69.03436	1.3
70.49374	2.4
82.01416	2.1
83.01490	3.3
84.01204	2.0
85.01532	1.6
88.17627	1.1
100.02488	3.8
101.00872	23.9
101.02528	11.0
102.02209	8.1
103.00638	4.8
103.02569	3.3
107.89591	1.1
118.06531	2.2
119.01910	63.7
119.03621	3.9
120.02000	5.0
120.03268	3.6
121.01651	12.5
121.03652	1.2
122.01972	1.6
124.02481	6.9
137.02937	13.9
138.02979	1.2
139.02695	3.4
142.03488	100.0
143.03639	4.5
144.03195	8.0
146.06004	4.0
149.02336	2.3
150.02681	3.3
160.04535	29.8
162.04308	2.2
165.05103	2.9
177.00996	2.8
178.01099	1.6
178.08614	6.4
179.00705	5.0
179.98883	1.5
181.97827	1.7
182.97766	5.6
183.97559	1.6
188.99205	4.2
189.49236	1.7
191.49434	9.8
191.99408	1.4
193.90627	1.1
199.98862	5.9
200.49934	13.8
200.98911	10.2
201.00267	1.8
201.49873	3.8
201.98529	1.8
206.08144	4.6
212.00868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05501	0.8
56.19922	0.3
56.96574	0.4
57.03432	8.1
57.07066	0.7
58.99576	1.4
61.01141	0.4
65.03928	0.3
67.05527	0.4
68.13900	0.3
70.06580	0.4
70.67509	0.5
71.04978	0.9
76.02217	6.3
83.04997	0.4
84.08142	0.8
85.06537	23.1
86.09711	0.5
86.99044	1.8
88.02197	0.6
88.03959	0.3
89.04236	0.6
91.05452	0.6
95.41747	0.3
97.02926	0.7
99.02673	0.7
105.00072	3.0
110.05977	0.3
111.09208	0.5
113.53973	0.3
117.03707	100.0
118.06511	1.0
119.01958	0.5
119.04918	0.4
120.08080	1.0
120.37268	0.3
122.02716	22.0
132.04436	1.1
142.03484	0.5
144.10176	0.4
145.07356	0.4
146.05977	2.2
146.21318	0.3
146.98227	0.7
149.02299	0.9
150.02673	2.7
160.07887	0.9
174.05472	0.7
178.05008	2.8
178.08592	2.5
188.07442	0.6
189.05867	1.5
206.04480	2.2
206.08200	3.8
206.11835	1.3
206.15231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.01590	0.4
51.02383	0.4
51.62202	0.3
53.00325	0.3
53.03974	0.4
55.01866	0.7
63.02353	0.6
65.03938	7.3
67.05501	1.2
69.03432	1.1
69.07076	0.4
69.09623	1.1
69.10049	1.2
76.03150	1.4
77.03922	1.4
79.05492	1.5
80.06271	1.3
81.03426	0.4
81.07054	0.7
83.04984	0.4
89.03901	4.4
90.04675	1.6
91.05476	98.5
92.05821	1.4
93.03391	1.2
93.07037	1.1
95.04950	1.2
95.08614	1.5
98.23531	0.8
101.03909	1.4
103.05456	2.0
104.02591	2.8
105.03391	0.8
105.04554	0.5
105.07028	2.1
106.04163	0.8
107.04956	2.3
107.08562	0.7
108.05748	2.2
109.06532	0.6
109.10133	0.8
109.19661	0.3
117.03374	2.0
118.04149	4.7
119.04935	94.7
119.08601	1.5
120.05207	0.6
121.02863	1.6
121.06496	1.0
121.10140	0.9
122.03653	0.7
123.08087	1.3
129.03366	2.0
129.04480	1.6
129.06967	0.4
131.04897	1.1
132.02057	9.2
133.02843	1.6
133.06396	0.7
133.10115	0.7
134.03642	1.0
135.04404	4.2
135.08209	0.4
135.09149	1.5
136.05188	3.2
137.09560	1.3
145.02863	2.6
145.10150	0.6
146.03601	2.8
147.04399	76.6
147.11679	1.3
148.04768	0.7
149.02335	8.9
149.09619	1.1
149.10736	1.5
150.03081	0.8
150.11514	0.9
151.07559	1.7
151.14806	0.4
157.03966	10.8
160.01529	0.8
161.05989	2.1
161.09590	1.2
161.13239	0.6
162.03084	1.2
163.03966	1.8
163.11206	0.4
164.04698	4.8
165.13919	0.9
171.11650	0.4
174.03107	1.9
175.03896	100.0
176.04285	0.6
177.01860	0.7
177.05475	0.5
178.14601	0.8
179.07007	9.1
179.08629	0.5
180.20612	0.4
189.09087	1.2
189.12779	1.2
192.04153	6.0
192.16277	0.7
207.06511	43.9
207.13799	2.0
207.18576	12.9
208.06709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.74296	0.6
55.01873	2.7
55.05503	1.7
62.42418	0.6
65.03941	4.6
67.05505	15.0
69.03425	6.4
69.70080	2.3
71.04993	1.9
73.02909	0.8
76.03158	0.7
77.03918	1.2
79.05493	9.8
80.94984	0.8
81.03405	2.3
81.07055	1.4
83.04985	3.1
84.08141	8.6
85.02895	1.2
89.03905	3.4
90.04712	0.9
91.05476	100.0
93.07034	3.8
95.04970	5.1
95.08619	1.8
99.04454	1.0
101.03892	0.9
103.05451	2.4
104.02573	1.0
105.03378	1.8
105.04500	0.8
105.07028	40.3
106.04208	0.7
107.04922	4.4
107.08598	2.1
108.05722	1.1
109.06508	1.7
109.10164	0.7
115.05415	2.1
117.03391	1.1
117.07017	10.4
118.04160	6.5
119.04939	58.2
119.08574	51.5
121.02878	1.4
121.06516	3.5
121.10151	0.9
121.97507	0.9
123.04439	3.1
123.08035	2.1
125.06042	1.2
128.06212	12.1
129.03343	2.0
129.04442	1.0
129.07001	24.3
131.04922	0.9
131.08524	1.4
132.02092	4.6
133.02811	1.1
133.06479	2.2
133.10124	6.3
135.04405	2.8
135.08032	1.1
136.05180	2.2
137.05991	1.7
137.09595	2.1
141.05434	2.4
141.07018	0.9
143.08553	25.5
145.02789	1.8
145.06462	5.6
145.10107	1.5
146.03590	2.2
147.04407	45.9
147.08038	79.1
149.02324	7.6
149.09584	1.7
151.07504	1.2
153.06973	3.4
153.72845	0.7
155.06020	1.1
157.03972	6.2
159.08005	0.6
161.06024	1.3
161.08334	0.7
161.09596	13.7
161.13226	1.0
162.05550	0.6
163.03873	1.2
163.07549	1.5
163.11169	1.2
164.04655	4.9
165.05402	2.2
165.09096	8.2
165.12776	0.8
165.96448	0.8
171.08041	4.4
174.03091	1.9
175.03903	58.8
177.01828	1.5
179.06943	4.4
179.10573	1.4
180.47450	0.6
183.97562	1.4
187.46689	0.6
189.07477	1.2
189.09084	15.3
189.12657	1.3
192.04166	18.2
207.06497	41.8
207.10143	24.5
207.11995	3.7
207.13820	2.0
207.18521	2.1
208.06097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02380	1.2
55.01863	1.6
55.05507	3.9
57.07055	0.9
58.23558	0.5
59.04991	0.7
65.03934	8.9
67.05499	5.3
69.03421	4.3
69.07057	3.4
71.04977	1.0
75.26756	0.5
76.03146	1.3
77.03920	2.2
77.97726	0.6
79.05495	4.8
80.06268	1.5
81.07049	4.5
83.04971	2.5
83.08610	0.7
85.02904	11.2
87.04461	1.4
89.03909	4.7
90.04702	1.5
91.05475	95.3
92.05800	1.1
93.03419	0.8
93.07044	5.7
95.04958	5.6
95.08598	6.7
97.06509	0.8
101.03896	2.1
103.05449	2.6
104.02588	1.2
105.03385	1.3
105.04515	0.6
105.07025	21.5
107.04961	3.1
107.08588	8.1
108.05728	1.2
108.09325	0.9
109.06515	2.5
109.10165	2.7
115.05410	0.6
117.03374	2.2
117.07021	3.6
118.04152	8.2
119.04936	81.3
119.08569	25.2
120.05218	1.0
121.02856	2.4
121.06490	2.2
121.10138	5.6
123.08050	2.6
123.11699	8.2
125.05976	2.6
128.06212	1.3
129.03372	2.0
129.04462	1.6
129.06992	3.6
130.07800	1.3
131.04901	1.0
131.08546	6.7
132.02046	7.5
133.02827	0.8
133.06458	3.5
133.10112	13.8
134.03633	0.8
135.04395	4.1
135.08072	3.7
136.05179	2.1
137.05975	0.8
137.09590	1.6
141.07004	1.4
142.07637	0.7
143.08549	4.5
144.09334	3.0
145.02806	1.9
145.10135	3.6
146.03622	1.9
146.10948	0.8
147.04396	72.8
147.08040	15.4
147.11674	10.4
148.05043	0.9
149.02321	12.7
149.09628	4.4
150.03130	1.2
151.07529	2.1
156.09346	7.7
157.03958	10.1
159.08038	1.8
159.11688	21.7
160.01576	0.9
161.05951	1.2
161.09612	5.0
161.13240	21.1
162.03149	1.3
163.03882	2.2
163.11212	1.2
164.04686	7.6
165.09038	0.9
165.12772	1.1
171.11678	10.9
174.03105	1.9
174.10402	3.6
175.03893	100.0
176.04268	1.1
177.01814	5.4
177.12781	1.3
179.07033	7.0
179.14264	0.8
189.09137	1.9
189.10962	0.8
189.12727	27.1
192.04155	30.1
193.04576	0.6
207.06509	71.3
207.10112	6.5
207.13792	29.2
207.15327	0.8
208.06822	1.0
229.61726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03955	0.6
54.07753	0.5
55.05515	4.6
57.07067	4.7
59.04994	1.0
65.03945	1.0
67.05505	26.9
67.05869	1.5
69.03429	2.7
69.07063	2.1
70.85149	0.9
71.04993	1.7
77.03416	0.6
77.03898	1.3
79.05496	3.7
81.07050	5.3
83.04990	3.2
85.02903	1.5
85.06539	9.6
87.89571	0.6
91.05482	7.9
93.07050	10.8
95.04967	3.0
95.08604	100.0
96.08946	0.7
97.06525	0.8
103.05474	0.7
105.07021	10.6
107.08591	13.8
109.06512	4.5
109.10152	2.4
109.20009	0.6
111.08076	1.1
113.06024	5.7
117.07021	1.4
119.04955	2.1
119.08573	19.3
121.06488	2.8
121.10145	12.5
121.10996	1.2
123.08065	47.6
123.11704	5.4
125.09647	0.9
131.08571	3.4
133.06485	0.9
133.10141	5.1
135.08047	1.1
135.11699	7.1
137.09612	3.2
137.13258	1.2
139.07481	1.3
143.08588	1.1
147.04424	1.2
147.08089	3.5
147.11684	9.8
147.96744	0.8
149.09615	33.1
151.07553	2.0
151.14810	4.7
156.09344	1.6
159.08145	1.3
161.09659	1.4
161.13249	12.8
163.11214	2.6
165.09145	1.8
165.12755	9.5
171.10332	0.6
171.11639	3.1
174.10419	2.4
175.03928	3.1
179.14317	1.9
186.02284	0.6
189.12729	15.1
207.06538	1.1
207.13800	25.1
220.62846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01859	1.5
55.05503	5.3
57.03425	1.2
57.07066	2.8
59.04988	2.3
63.47945	1.4
65.03945	1.6
67.05492	8.5
69.03426	12.6
69.07063	4.9
69.61430	2.4
69.61790	2.8
71.04984	5.9
77.03865	1.3
79.05492	13.2
81.03410	2.4
81.07048	14.3
81.47469	1.1
83.04955	5.8
83.08580	1.2
85.02902	43.9
85.06529	3.4
87.04412	1.2
91.05472	25.0
93.07037	14.1
95.04987	7.9
95.08607	12.1
97.06505	3.8
99.04432	4.3
103.05447	2.4
105.06351	2.4
105.07028	40.5
107.04942	5.8
107.08588	22.7
109.06513	25.3
109.10149	13.2
111.04414	1.3
111.08050	2.6
115.05453	1.5
116.06232	1.5
117.07020	4.2
119.04929	9.0
119.08572	41.3
119.33250	1.1
121.06490	4.1
121.10139	30.5
123.04437	1.5
123.08067	23.5
123.11699	28.5
125.05984	4.6
128.06227	4.9
129.06984	5.3
130.07751	1.8
131.04910	3.6
131.08539	11.9
132.09357	1.3
133.06499	6.1
133.07417	1.4
133.10117	12.9
135.08075	5.9
135.11694	7.5
137.05936	2.7
137.09612	10.3
137.13268	1.5
139.07550	1.6
141.06989	2.3
143.08559	6.6
145.06497	1.3
145.10132	12.7
146.07265	4.1
146.10880	2.4
147.04361	6.1
147.08014	13.4
147.11678	43.4
148.05177	1.8
149.02335	1.4
149.09607	81.8
151.07549	13.5
151.11191	1.7
156.09299	11.4
157.06520	1.2
159.08066	3.4
159.11671	2.5
160.08789	2.4
160.96170	1.1
161.05971	36.0
161.09599	19.7
161.13263	17.3
163.11197	12.5
164.04686	1.7
165.09132	3.2
165.12740	13.2
171.11655	10.6
174.06827	1.4
174.10408	7.5
175.03912	5.3
179.14238	4.0
184.85210	1.1
189.09128	10.3
189.12732	42.3
192.04099	2.2
207.06445	6.7
207.10493	2.3
207.13788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.25220	3.6
52.92100	3.3
55.01870	5.8
55.05514	13.6
57.03432	4.9
57.07067	4.2
65.03926	5.4
67.05494	12.6
69.03438	15.6
69.07072	9.7
69.50986	16.4
69.51318	3.8
71.04991	9.1
71.83403	3.8
77.55288	3.6
79.05490	14.0
81.07050	20.4
83.04977	10.5
83.08578	3.9
85.06538	4.3
91.04941	6.0
91.05482	82.2
93.07043	27.7
95.04960	12.5
95.08594	24.2
96.71783	3.7
97.06522	9.0
98.22758	7.5
99.04447	8.2
105.07027	58.6
107.04942	3.6
107.08595	43.1
109.06520	30.1
109.10139	19.1
111.08048	5.9
117.07055	7.5
118.04150	5.0
119.04935	63.8
119.08572	58.0
121.06521	5.1
121.10139	41.9
123.08060	19.1
123.11710	8.5
124.51339	3.6
129.07048	5.3
131.08553	18.6
132.02068	8.0
133.06512	3.8
133.07524	3.7
133.10114	27.5
135.08035	15.6
135.11703	11.5
136.05212	4.6
137.09610	13.4
139.07527	3.8
142.94974	4.1
143.08566	6.5
145.10161	10.1
147.04405	48.1
147.08051	16.3
147.11679	100.0
149.02327	8.4
149.09610	79.4
151.07565	4.6
156.09346	16.2
157.04024	7.8
159.07991	5.1
159.11713	16.4
161.09648	13.2
161.13243	34.2
163.11214	12.5
165.12732	24.5
171.11717	16.0
174.10373	5.2
175.03896	55.2
179.14246	5.8
184.08415	3.6
189.12729	66.4
192.04149	19.9
194.06284	3.7
207.06453	46.7
207.09952	5.2
207.13794	63.3
217.03893	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
55.01867	5.2
55.05500	3.4
55.81820	0.7
57.07077	1.1
67.05511	2.3
69.03436	4.3
69.07051	4.3
70.03809	1.9
71.04237	0.7
71.05003	1.1
79.05482	7.4
81.07034	1.9
83.04977	0.9
85.02905	2.9
91.05473	14.7
93.07047	3.0
95.05002	1.5
95.08610	4.1
99.04464	0.8
105.07030	17.5
107.04949	2.9
107.08589	20.5
109.06520	1.5
109.10150	2.2
115.05454	1.3
117.07024	2.6
119.04959	6.7
119.05801	0.8
119.08580	35.6
121.06498	1.5
121.10138	5.9
123.08100	1.1
123.11733	3.2
129.07005	1.2
131.08571	2.9
133.06509	2.6
133.10126	21.8
135.08046	21.9
135.11684	2.4
137.09599	1.4
137.13293	0.8
143.08511	1.8
145.10109	2.7
146.10881	2.3
147.04391	4.6
147.06992	1.1
147.08057	9.7
147.11674	9.6
149.09665	3.8
156.09338	5.5
157.04048	0.9
159.08066	1.7
159.11705	5.5
160.08888	1.2
161.05977	0.7
161.09618	2.6
161.13251	100.0
163.11223	1.9
165.12778	0.9
171.11687	7.2
174.10454	4.9
175.03937	5.7
175.15381	0.7
179.06877	0.7
189.12735	93.0
190.13200	1.0
192.04137	1.0
204.08246	0.8
207.06511	3.0
207.13795	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1857
Annotation	DICYCLOHEXYLCARBODIIMIDE
Peak:m/z	Relative Intensity
53.03958	0.2
55.05505	0.4
57.07068	0.2
59.04974	0.2
65.03909	0.2
67.05499	0.6
68.05037	0.2
69.03439	0.8
69.07078	0.3
70.30821	0.2
70.70408	0.2
71.04993	0.2
79.05481	0.6
79.80741	0.1
80.97021	0.2
81.03406	0.2
81.07043	0.5
83.04990	0.2
91.05475	3.4
93.07063	0.8
95.04935	0.4
95.08606	0.7
98.09701	0.1
103.05442	0.2
104.22887	0.1
105.07011	1.3
107.04979	0.2
107.08601	0.6
108.05748	0.2
108.08125	0.3
109.06512	2.2
109.07626	0.3
109.10155	0.4
115.05448	0.2
117.07036	0.2
118.04133	0.2
119.04951	2.8
119.08576	1.3
121.06498	0.4
121.07573	0.4
121.10132	0.8
123.04469	0.3
123.08054	1.1
123.09068	0.2
123.11659	0.2
125.10670	0.2
131.04800	0.2
131.08577	0.3
131.55295	0.2
133.06514	0.2
133.10126	0.6
135.09172	16.9
136.05212	0.3
136.09912	0.7
137.05934	0.2
137.09651	0.3
137.10660	0.3
143.08575	0.2
147.04396	2.7
147.08038	0.5
147.11662	1.4
149.02382	0.4
149.09598	1.9
149.10733	5.7
150.11522	7.6
151.07547	0.7
151.12265	0.7
156.09331	0.2
157.03983	0.3
161.05968	0.6
161.09602	0.5
161.13176	0.8
163.11101	0.3
163.12297	1.5
164.04669	0.5
164.13072	1.2
165.09111	0.3
165.13879	7.0
171.11655	0.4
174.03191	0.3
174.10422	0.2
175.03918	2.6
177.13852	3.7
178.14639	7.7
179.06989	0.4
179.08411	0.2
179.15379	0.7
189.09192	0.3
189.12697	1.2
191.15469	0.2
192.04178	0.6
192.16216	4.1
207.06532	2.5
207.13925	2.1
207.18558	100.0
207.45879	0.2
208.18802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1333
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
52.55179	0.6
58.06597	7.7
59.07379	3.4
60.08160	23.5
63.51088	0.7
69.03410	1.5
70.91962	0.9
79.05491	12.5
84.08140	1.0
87.04414	0.8
91.05465	1.7
92.05791	1.8
93.07010	1.5
95.04923	0.6
103.05463	45.1
103.17849	0.7
105.07016	2.8
106.07368	0.9
106.96558	1.2
107.04948	29.8
109.06536	1.1
110.06832	1.5
120.05256	1.3
120.08109	0.8
120.08895	1.6
121.06463	1.5
124.97615	1.0
129.06525	0.7
131.04919	40.3
134.10506	1.1
146.06006	0.7
146.10425	0.7
147.07951	0.7
148.04807	0.9
148.08386	3.3
149.05977	12.1
152.03416	2.0
158.05933	0.9
162.09906	2.5
165.04195	2.5
176.04199	1.1
177.05406	1.4
180.10150	0.8
184.97734	0.9
190.08760	2.2
190.09354	2.5
192.06535	1.6
193.04395	0.6
193.07312	6.0
208.06485	1.7
208.09731	22.1
208.13309	100.0
209.08049	1.3
209.13637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
82.94851	3.5
90.31485	2.1
94.93003	8.1
104.10772	13.7
105.11059	11.9
123.97461	4.0
166.43655	2.5
167.96321	4.1
185.97470	5.9
186.06050	4.7
190.96193	7.8
191.94630	22.6
204.07307	2.9
208.11647	2.8
208.97263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02379	1.1
53.03947	3.9
53.18431	1.1
55.01870	10.8
55.05511	7.6
57.03434	1.4
57.07081	4.1
57.54870	1.2
59.04999	1.4
60.30349	1.1
65.03938	13.5
67.05505	13.5
69.03419	7.3
69.07065	4.9
71.04994	4.3
75.04482	12.5
77.03943	4.1
78.04710	13.6
78.58652	1.1
79.05503	17.0
81.03412	6.1
81.07053	14.4
83.04974	7.2
83.08606	2.4
85.02919	9.4
85.06544	2.2
85.49804	1.1
89.03935	5.6
89.06036	2.5
91.05480	52.4
92.14906	1.3
93.03410	29.5
93.07042	24.8
95.04971	24.1
95.08607	11.3
97.02892	4.2
97.06518	14.8
99.04456	2.0
99.08064	1.8
103.05466	17.2
105.03410	3.5
105.04491	7.0
105.07040	7.4
106.04171	83.5
107.04965	12.6
107.08591	23.3
108.05756	1.6
109.06520	13.8
109.10174	7.5
111.04449	5.5
111.08110	3.3
113.09682	1.3
115.05490	2.6
117.03397	5.3
117.07032	3.6
118.04150	1.1
119.04966	5.2
119.08582	5.0
121.06505	79.4
121.10132	14.5
122.03645	1.5
122.07306	4.9
123.04429	5.4
123.08094	7.8
123.11703	4.3
124.05244	3.3
125.05991	22.8
125.09632	4.6
131.04941	3.7
131.06009	1.3
131.08583	4.5
133.02847	2.0
133.06514	2.3
133.10133	20.9
134.03630	10.9
135.04419	22.7
135.05397	1.0
135.08038	7.7
135.11719	5.2
136.04742	13.5
137.05994	15.3
137.09610	19.4
138.06776	4.0
139.07533	6.3
139.11169	2.1
145.02879	3.4
145.10106	4.2
147.11728	2.6
148.05212	6.4
149.05978	100.0
149.09607	8.7
149.13229	7.4
151.03969	1.9
151.07553	4.8
151.11179	26.9
152.08267	1.4
153.05490	8.9
153.09109	22.2
159.04358	1.3
163.03873	1.4
163.07574	5.4
163.11188	6.3
163.14822	3.1
165.05428	1.4
165.12752	14.0
166.06242	2.8
167.07059	2.2
167.14345	2.0
173.13255	5.6
176.04695	1.3
177.05463	33.9
181.08585	19.3
181.10034	1.8
181.12143	1.4
191.07043	5.4
191.10686	3.7
191.14322	12.2
209.04453	2.0
209.08064	17.1
209.09850	2.2
209.11665	5.4
209.13635	18.3
209.15428	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.01600	1.1
51.02388	1.3
53.03938	4.0
55.01876	12.6
55.05516	11.9
57.03424	3.9
61.02914	1.2
65.03941	9.2
67.05199	1.5
67.05506	14.7
69.03432	6.3
69.07066	6.4
69.35700	5.5
71.04990	4.4
75.04485	10.9
77.03917	3.5
78.04717	11.8
79.05499	17.4
81.03416	5.2
81.07056	13.9
82.04215	1.4
83.04985	14.4
83.08636	7.9
85.02922	7.7
85.06536	2.9
89.03904	4.8
89.06054	2.4
91.05484	49.6
93.03407	27.8
93.03841	0.7
93.07046	35.1
94.06563	1.6
95.04973	28.3
95.08620	10.0
97.02893	3.0
97.06544	13.3
99.04451	1.7
99.08071	1.8
103.05470	20.2
105.03394	2.7
105.04523	7.4
105.07052	11.0
106.04178	69.3
107.04967	8.1
107.08596	24.8
109.06522	13.7
109.10157	10.5
111.04429	4.5
111.08074	3.9
117.03368	4.3
117.07018	5.6
118.04169	1.9
119.04957	4.3
119.08594	6.3
120.04456	1.2
120.05709	1.5
121.06511	85.3
121.10136	16.4
122.03687	1.1
122.07336	2.1
123.04405	4.8
123.08057	6.8
123.11687	5.4
124.05228	1.8
125.06013	19.9
125.09632	5.1
129.07013	2.3
129.07849	1.3
131.04951	5.1
131.05893	1.5
131.08566	14.9
133.02785	1.3
133.06471	1.2
133.10136	9.7
134.03624	12.5
135.04425	4.7
135.08044	7.1
135.11710	10.8
137.06004	10.9
137.09590	2.1
138.06741	3.6
139.07526	5.4
143.08545	2.6
145.02866	3.3
145.10124	12.6
147.04402	2.8
147.11697	5.1
148.05188	6.4
149.05984	100.0
149.09598	13.4
149.13272	11.5
151.03889	1.5
151.07570	5.3
151.10132	1.4
151.11192	9.2
152.08296	1.6
153.05489	6.4
153.07973	1.9
153.09117	21.2
158.10916	3.7
159.04427	2.2
163.07550	5.3
163.11180	10.1
163.14841	2.8
165.12741	6.9
166.06267	2.6
167.07045	5.3
167.10593	1.1
167.14301	10.2
173.09639	2.3
173.13249	13.1
177.05473	44.2
180.07805	2.8
180.27966	1.1
181.08598	23.6
186.05357	1.1
191.07018	4.5
191.10750	6.6
191.14342	14.6
192.06523	1.0
209.08064	21.5
209.09744	2.4
209.11545	10.0
209.13336	1.9
209.15321	19.7
209.17177	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	Kynurenine
Peak:m/z	Relative Intensity
53.24156	1.0
53.62860	1.0
55.05507	2.6
56.96567	2.8
67.05487	2.8
67.92501	2.2
69.03442	1.3
69.07051	2.3
70.06597	2.5
71.05027	1.4
71.44478	0.9
74.02438	21.4
77.03909	1.5
79.05469	1.5
81.07051	2.5
82.94855	6.3
83.04974	2.2
84.08139	2.6
85.06561	1.2
86.09730	1.3
86.70543	1.1
88.03979	3.1
91.05483	5.0
92.04975	1.8
93.07051	3.0
94.06565	100.0
95.04976	5.2
95.08582	1.4
97.06561	1.4
99.00815	13.5
104.04987	9.8
105.07078	1.4
107.04977	1.8
107.08572	3.4
109.02874	1.7
109.06516	1.6
109.10168	1.5
117.05659	1.3
118.06533	33.9
120.03692	1.4
120.04464	32.3
121.06504	2.2
121.10159	2.2
122.06001	1.4
123.11723	1.3
123.97442	5.1
125.09653	1.7
126.93769	2.5
132.04454	13.1
135.08112	1.3
136.07567	33.8
144.94823	1.9
146.06001	75.0
149.05977	3.2
149.13303	1.4
150.05496	23.6
151.11183	2.4
162.95880	4.0
163.08649	7.8
164.07004	5.4
166.04591	2.2
167.96457	3.6
174.05518	31.0
177.05473	3.8
185.97472	8.2
191.14362	3.1
192.06557	46.4
193.07014	1.6
194.07703	5.0
208.99220	1.1
209.10112	17.7
209.12999	3.8
209.15367	8.4
210.05061	2.7
225.33972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	2.4
55.01865	4.5
55.05506	7.0
57.03438	2.6
67.05502	11.0
69.03408	2.6
69.07063	14.0
69.53545	5.9
69.53892	2.2
71.04992	27.1
79.05489	42.1
80.17812	1.7
81.07054	6.2
83.04976	9.6
84.21568	1.5
85.06535	3.5
91.05468	23.8
93.07042	36.6
95.04951	13.6
95.08606	3.1
97.06518	6.2
105.04559	1.8
105.07024	26.3
107.04952	19.9
107.08590	48.4
109.06507	5.5
109.69405	1.6
111.04415	5.3
117.07008	8.9
119.08569	15.1
121.06509	34.5
121.10138	30.5
123.04380	2.6
123.08068	3.9
125.05984	9.4
125.09628	2.7
129.07002	4.1
130.07779	1.9
131.04875	3.8
131.08563	96.5
135.04404	3.7
135.08038	4.3
135.11708	5.6
135.12973	1.6
137.05943	2.0
141.05473	2.3
145.06430	2.1
145.10117	40.1
147.08020	6.9
147.11691	3.2
149.06007	9.2
149.09612	100.0
153.05473	11.5
161.09634	2.4
163.07503	4.7
163.11180	37.7
165.09122	16.4
167.07011	6.3
167.10669	12.1
173.09622	7.6
177.05530	7.8
191.10661	50.8
194.00307	5.1
195.06508	3.9
209.02629	3.0
209.11714	87.5
221.01324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.50923	0.8
50.61603	0.9
50.89349	0.8
51.02388	1.0
52.82008	0.7
53.03928	3.0
55.01870	15.3
55.05509	37.2
57.03440	5.3
57.03679	1.1
57.07063	2.0
59.60045	0.8
65.03928	2.2
67.05502	48.2
69.03413	3.9
69.07067	18.5
69.25449	3.9
71.04993	7.9
73.02911	4.2
77.03925	1.8
79.05487	74.9
80.05835	0.7
81.03411	7.8
81.07053	53.7
83.01328	1.4
83.04979	8.7
83.08621	21.3
85.01952	0.7
85.06541	1.6
91.05472	23.9
93.03400	1.2
93.07041	90.0
95.04967	21.2
95.08600	100.0
97.02879	10.2
97.06527	8.8
97.10167	1.8
99.04458	9.3
103.05453	3.2
105.04539	3.6
105.07024	19.2
107.04251	1.5
107.04956	24.4
107.08587	59.3
109.02892	0.9
109.06522	5.2
109.10136	5.1
111.04437	3.6
111.08084	3.6
113.06065	0.9
113.09663	1.3
115.05449	1.7
116.06187	1.0
117.07007	23.8
119.08581	18.6
121.06499	12.6
121.10133	19.6
123.08086	0.8
125.06013	4.5
128.06187	0.9
129.06975	1.5
130.07813	5.2
131.08626	1.1
131.86981	0.7
133.10150	4.6
135.08093	5.4
135.11685	83.7
136.12012	0.9
137.13313	0.9
139.07553	2.4
143.08527	2.1
145.10114	57.2
153.12721	1.9
155.08606	1.3
163.11171	75.2
167.10768	0.7
173.09608	1.3
181.12212	5.4
191.30516	0.7
199.93738	0.8
209.09773	0.9
209.15337	1.1
227.12776	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.14325	0.9
53.03938	1.7
55.01873	4.7
55.05507	6.5
57.03424	2.6
65.03947	1.4
67.05502	19.5
69.03429	14.0
69.07064	10.7
69.41111	3.6
71.04987	19.2
77.03925	1.6
79.05489	43.7
81.03397	2.3
81.07058	9.3
83.04537	1.0
83.04981	11.6
83.08594	1.9
85.06542	6.3
91.05474	24.6
93.07040	33.3
95.04960	13.0
95.08614	2.4
97.06525	7.0
97.85579	0.8
103.05457	2.4
105.04477	1.0
105.06341	1.8
105.07026	24.0
107.04948	26.5
107.08592	45.2
109.02843	1.6
109.06514	7.6
111.04430	8.1
116.06190	1.7
117.07001	8.5
119.08587	16.7
121.06506	29.7
121.09270	1.4
121.10139	26.3
123.04458	4.8
123.08068	3.2
123.11694	1.3
125.05986	13.2
125.09620	6.1
129.06985	6.1
130.07779	2.5
131.08562	80.1
133.06509	1.3
133.10091	1.8
135.04390	3.0
135.08049	4.9
135.11688	5.6
137.05905	2.0
137.09644	2.5
139.07513	2.4
141.05463	1.6
145.06432	3.0
145.08966	2.0
145.10121	41.6
147.08058	7.0
147.11679	2.9
149.05969	6.8
149.09613	100.0
150.10318	1.0
151.07533	1.8
151.11162	1.5
153.05487	7.6
153.09106	1.7
155.07129	1.3
155.08514	1.6
161.73430	0.8
163.07555	6.5
163.11172	37.7
165.09099	19.2
165.12750	1.5
167.07040	4.0
167.09236	1.1
167.10661	19.6
167.14197	1.6
173.09605	9.3
177.05615	1.1
181.12148	1.0
191.10658	64.4
191.14299	6.4
208.16977	1.4
209.11716	92.7
209.15331	8.0
209.17261	2.6
210.12045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.01592	0.8
53.03934	3.2
55.01873	8.3
55.05507	7.4
57.03421	3.1
57.07067	1.8
59.04988	0.9
61.02912	1.1
65.03924	7.1
66.02302	0.8
67.05492	11.4
69.03409	3.5
69.06712	1.0
69.07065	16.3
69.16637	4.7
70.06580	1.0
71.04640	1.4
71.04995	21.3
75.04481	4.4
77.03924	3.3
78.04696	4.2
79.05490	41.7
80.06239	0.8
81.03406	2.5
81.07056	13.0
83.01344	1.4
83.04978	10.5
83.08611	1.9
85.02885	3.8
85.06519	2.1
89.03896	2.7
91.05478	39.8
92.06272	1.1
93.03412	11.7
93.07043	45.4
94.06529	1.5
95.04969	19.6
95.08614	6.9
97.06525	12.9
99.04416	1.6
99.08098	4.0
103.05468	10.2
105.03370	2.1
105.04520	4.9
105.07022	26.4
106.04176	35.8
107.04957	16.7
107.08591	54.5
108.05759	0.9
109.06513	8.2
109.10165	4.2
111.04432	5.7
111.08090	2.0
113.05981	1.5
115.05473	1.4
116.06184	2.6
117.03372	1.9
117.07028	6.7
118.04156	1.4
119.04916	1.5
119.08558	9.3
120.05659	1.1
121.06503	68.1
121.10143	30.8
123.04404	2.5
123.08080	5.3
123.11667	1.3
124.05192	1.2
125.05983	17.7
125.09580	3.3
129.06963	2.8
130.07773	2.7
131.04901	2.8
131.08563	100.0
133.06464	1.8
133.10133	5.6
134.03593	5.2
135.04385	3.9
135.08067	6.9
135.11687	6.4
137.05956	7.9
137.09584	2.1
138.06755	1.7
139.07509	5.8
141.05440	2.8
143.08498	1.2
145.02812	1.7
145.10121	36.6
147.08015	3.8
147.11691	4.4
148.05150	3.0
149.05980	48.4
149.09610	73.8
149.13246	5.2
151.07475	4.1
151.11226	5.6
152.92336	0.8
153.04266	1.0
153.05470	14.4
153.09087	11.9
155.07007	1.3
158.10884	0.8
163.07506	3.7
163.11177	27.8
163.14796	2.9
165.05449	1.1
165.09096	3.0
166.06172	1.9
167.07051	7.5
167.10660	3.2
167.14357	1.0
172.71965	0.9
173.09567	3.5
173.13298	5.2
177.03946	1.1
177.05475	16.9
181.08603	9.3
191.06973	2.0
191.10655	28.5
191.14310	7.4
209.08125	8.1
209.11690	56.3
209.15227	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.73193	1.7
53.29289	1.7
55.01861	6.3
55.05507	7.5
57.03423	3.6
67.05497	9.8
69.03412	3.2
69.07065	14.9
69.77325	5.5
71.04989	21.2
77.03930	1.8
79.05493	38.6
81.03409	5.2
81.07043	9.1
83.04963	10.5
88.90565	1.9
90.94798	1.4
91.05476	25.1
93.03417	2.0
93.07041	43.7
95.04954	9.6
95.08599	2.1
97.06518	5.1
98.22714	1.9
103.05459	17.0
105.07028	26.4
106.04165	4.6
107.04964	25.5
107.08589	46.3
109.06519	7.3
111.04435	4.0
117.07001	4.7
119.04971	3.0
119.08582	8.4
121.06499	44.9
121.10139	28.0
121.93446	1.5
123.04470	2.3
123.08080	3.5
125.06007	8.9
125.09618	2.3
129.06995	3.6
130.07793	2.0
131.04921	7.9
131.08565	100.0
133.10141	2.2
133.27248	1.8
135.04381	2.5
135.08026	3.8
135.11758	4.0
139.07516	3.4
145.10110	38.7
147.08035	4.4
147.11644	3.7
148.05176	1.8
149.05978	20.3
149.09621	79.6
149.13232	1.7
151.11165	3.3
153.05463	14.3
159.04411	14.0
163.07483	2.0
163.11180	25.9
165.09070	3.4
167.07112	9.0
167.10681	3.0
167.14345	2.6
173.09660	4.0
177.05463	11.3
181.08560	2.1
191.07027	29.4
191.10651	41.3
209.08144	13.1
209.11719	57.9
209.15103	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03945	2.0
54.47797	0.4
55.01868	40.7
55.05509	17.3
55.05782	0.9
56.66462	0.5
57.03431	3.0
57.07067	1.6
59.04992	1.5
65.03935	3.7
67.05499	39.9
69.03420	2.3
69.07060	8.5
70.82357	1.1
71.04993	5.9
73.02919	1.0
75.04456	0.9
77.03926	0.8
78.04710	1.3
79.05488	26.7
81.03407	4.6
81.07053	35.1
83.04976	78.8
83.08611	8.5
85.02879	4.4
85.06544	4.2
87.04459	0.7
90.57058	0.5
91.05479	19.5
91.54064	0.5
93.03389	4.8
93.07038	36.7
95.04967	9.8
95.08598	20.0
97.06526	15.0
99.04452	7.1
99.08080	3.4
101.02363	1.7
103.05456	2.7
105.04514	1.6
105.07019	6.6
106.04165	6.6
107.04956	6.3
107.08591	19.4
109.06514	5.3
109.10143	10.2
111.04436	100.0
111.08073	37.1
112.04757	0.7
113.05981	1.1
114.87943	0.6
115.05405	0.7
117.03371	0.7
117.07005	6.8
119.04948	0.9
119.08562	9.7
121.06506	12.7
121.10137	15.6
123.04459	0.7
123.08075	1.7
125.05973	7.5
125.09642	1.0
129.05505	2.8
129.07002	3.4
130.07828	0.8
131.04927	1.0
131.08556	10.8
131.09448	0.8
133.10136	1.6
134.03641	1.9
135.08064	5.2
135.11682	19.7
137.05983	1.6
137.09587	0.9
139.07509	1.7
145.02734	0.6
145.06500	1.0
145.10115	17.8
147.08058	1.3
147.11688	3.0
149.05969	8.9
149.09602	11.2
149.13245	1.9
151.07440	0.7
151.11188	1.1
153.05609	0.5
153.09160	2.5
153.12730	29.0
155.08498	2.5
157.11028	0.5
163.07527	1.4
163.11169	33.3
163.14798	0.9
165.12755	2.7
167.07057	0.7
172.44391	0.5
173.09619	8.8
173.13234	2.1
177.05490	3.5
181.08580	2.0
181.12230	19.6
191.10655	19.6
191.14223	1.9
209.08096	1.9
209.09964	0.5
209.11688	14.0
209.13449	1.3
209.15193	4.9
209.20155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03956	4.0
55.01878	6.2
55.05518	15.9
57.03433	8.6
57.07087	5.0
58.37581	2.6
59.04998	4.1
60.04051	2.7
60.96445	2.7
62.25042	2.7
65.03946	8.3
67.05511	23.1
69.03430	10.7
69.07068	26.6
69.68936	2.5
70.74508	2.6
71.04994	14.7
77.03909	3.4
78.04729	4.3
79.05507	33.1
81.03448	3.5
81.07066	28.2
83.04996	25.4
83.08624	9.0
85.02917	6.2
85.06542	7.9
87.04469	3.1
91.05485	48.8
93.03416	15.6
93.07049	64.8
95.04970	24.6
95.08614	32.3
97.06541	20.6
99.08100	19.0
103.05482	9.3
105.04552	3.1
105.07043	38.1
105.44015	2.6
106.04169	36.9
107.04940	13.0
107.08600	100.0
109.06529	15.6
109.10172	26.0
111.04397	2.8
111.08102	5.7
117.07027	7.7
119.08580	35.4
121.06511	55.2
121.10151	69.4
123.08089	24.2
123.11703	10.5
125.06001	11.5
125.09656	14.7
127.59774	3.0
129.07007	3.0
131.08580	58.3
133.10141	33.3
134.03665	6.7
135.08055	29.1
135.11694	43.2
135.12665	4.4
137.05994	9.2
137.09624	12.7
139.07594	6.9
139.11134	4.9
143.08557	10.6
144.09354	4.9
145.10127	23.1
147.08061	3.6
147.11673	18.3
148.05209	4.5
149.06006	45.4
149.09631	86.1
149.10817	4.2
149.13261	71.0
151.11192	34.8
151.41083	2.6
153.05472	5.5
153.09125	21.9
158.10918	12.2
163.11224	8.3
163.14821	17.0
165.12785	3.4
167.07065	3.6
173.13274	74.8
177.05464	16.2
181.08580	8.9
191.10715	3.8
191.14326	94.3
209.08134	8.4
209.11629	12.5
209.15381	51.8
229.66783	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01866	4.1
55.05510	7.3
57.03437	2.1
57.07061	2.4
59.04999	1.7
65.03939	1.5
66.93668	1.3
67.05508	8.9
69.03425	10.0
69.07069	11.0
71.04987	11.9
78.40134	1.3
79.05488	22.0
81.03419	4.2
81.07053	20.0
83.04975	7.0
83.08605	1.3
85.06518	1.5
87.15293	1.3
90.64671	1.2
91.05474	20.1
93.03401	3.5
93.07040	24.2
95.04958	6.4
95.08598	7.7
97.02889	2.2
97.06550	7.5
103.05452	2.6
105.07014	18.1
106.04134	6.7
107.04951	7.4
107.08589	37.7
109.06528	14.3
109.10145	9.9
111.04444	4.6
115.05427	2.9
117.07006	5.2
119.06029	1.9
119.08573	7.8
121.06498	18.6
121.10144	26.6
122.07271	3.8
123.08061	7.2
123.11703	2.3
125.05992	5.6
125.09621	2.5
129.07004	2.9
131.07639	2.5
131.08554	24.6
133.10126	100.0
135.08054	19.5
135.11667	5.9
137.09608	52.0
139.11136	1.6
145.10110	11.5
147.11665	5.0
149.06030	11.3
149.09622	26.6
149.13249	16.9
151.11174	24.4
153.05487	4.9
153.09093	1.9
158.10899	2.9
163.11171	9.8
163.14845	3.8
165.09071	1.5
165.12782	3.9
173.09619	2.1
173.13249	18.5
174.27040	1.3
177.05492	3.5
181.08600	2.8
191.10629	8.7
191.14288	16.3
209.07959	2.1
209.09801	2.7
209.11618	16.1
209.15323	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.92841	1.2
55.01866	1.7
55.05513	6.3
57.03437	1.9
57.07058	2.4
59.05002	2.1
65.03933	2.0
67.05506	6.9
69.03435	11.0
69.07069	14.3
70.82324	2.5
71.04992	9.1
77.03912	2.0
78.04724	1.7
79.02237	1.0
79.05486	7.3
80.92172	1.1
81.03417	2.2
81.07051	15.5
81.07507	2.0
83.04987	14.4
83.08619	5.2
85.02872	1.5
89.42296	1.1
91.05484	8.3
93.03417	2.2
93.07047	12.6
95.04971	7.0
95.08605	27.3
97.06537	6.2
99.08096	4.5
103.05517	1.3
105.07036	7.9
105.19516	1.3
106.04156	5.5
107.04986	2.0
107.08594	39.6
107.09335	1.9
109.06541	9.9
109.10159	15.6
111.04433	1.5
111.08070	4.9
113.09612	1.5
119.06091	1.4
119.08588	4.3
121.06503	8.4
121.10140	33.3
123.08054	7.3
123.11675	3.8
125.06034	1.2
125.09628	12.2
131.08577	6.4
133.10121	14.3
135.08047	15.1
135.11700	6.1
137.09599	3.2
139.11176	3.6
145.10086	2.4
147.08052	1.3
147.11693	8.0
148.08882	1.8
149.05974	2.0
149.09615	10.9
149.13263	21.8
151.11176	100.0
153.09073	2.8
158.10930	2.6
163.11180	1.8
163.14812	11.2
165.12753	11.1
173.13246	15.0
177.05428	3.0
191.14302	46.1
209.15340	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03949	1.4
55.05502	2.0
56.17153	0.8
57.07074	1.8
59.04987	1.3
65.64479	0.8
67.05501	5.4
69.03428	11.6
69.07059	3.3
69.56561	0.9
69.56903	2.6
71.04997	1.8
75.78078	0.8
76.97549	0.8
79.05495	3.6
81.03413	8.8
81.07059	6.9
83.04970	3.3
83.08591	1.0
84.72041	0.9
91.05479	2.5
93.07050	4.6
95.04971	8.5
95.08606	10.0
95.12046	0.8
99.08092	2.1
105.07018	5.2
107.08594	9.9
109.06514	12.9
109.10147	2.1
119.08578	4.8
121.06513	2.3
121.10145	11.7
123.08062	10.7
123.11700	6.7
131.08578	1.1
133.10124	2.1
135.08037	2.2
135.11659	1.5
137.09601	3.4
137.13232	2.2
139.85925	0.8
145.10088	1.8
146.54202	0.7
146.66498	0.7
147.11670	3.7
149.06010	1.8
149.09627	9.0
149.13239	6.8
151.11171	4.5
153.09030	0.8
162.06253	0.9
163.11125	0.9
163.14876	0.8
165.12747	100.0
166.13139	0.9
173.13271	2.3
191.14290	2.6
209.15358	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01848	1.5
55.05505	5.6
58.13635	1.0
65.03953	1.6
67.05498	5.7
69.03443	6.7
69.07060	3.1
69.36805	5.7
76.60687	1.1
78.04667	1.9
79.05479	7.5
81.03427	1.0
81.07055	14.7
83.04991	2.2
85.57208	1.3
88.13938	1.1
91.05477	12.1
93.03380	1.2
93.07040	4.7
95.04967	3.0
95.08601	2.7
97.06546	1.8
103.05474	1.4
105.07027	9.1
106.04179	5.7
107.04936	1.5
107.08591	24.1
109.06506	13.3
109.10155	9.8
115.05438	2.8
117.07011	2.9
119.06071	2.0
119.08559	5.1
121.06525	8.6
121.10143	16.9
122.07307	11.2
123.08025	2.8
123.11705	1.4
125.05967	1.9
125.09612	1.1
131.08504	2.1
133.10129	100.0
135.08044	17.7
135.11719	1.6
137.09613	91.9
143.08459	1.2
145.10056	2.0
147.11615	1.8
149.05972	6.8
149.09633	2.6
149.13257	13.0
151.11177	3.8
153.09018	1.0
158.10890	1.1
163.11122	1.5
163.14877	1.6
165.12761	2.7
166.06364	1.6
173.13268	5.5
176.88072	1.2
177.05417	2.9
179.76347	1.1
191.14288	5.7
209.08038	1.6
209.11765	1.3
209.15312	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	1.2
55.01870	2.1
55.05505	4.7
62.99296	0.5
65.03934	2.1
67.05502	24.2
69.07063	3.7
69.24673	2.5
69.25073	1.0
71.05000	2.5
75.04483	0.9
77.03931	1.0
78.04702	0.8
79.05485	16.5
81.03416	0.8
81.07053	100.0
83.04977	1.4
83.08617	2.2
85.02906	1.3
85.06538	2.0
91.05478	9.1
92.33278	0.6
93.03403	3.4
93.06449	0.9
93.07039	18.6
95.04967	4.8
95.08601	70.7
97.06535	2.1
99.04459	0.9
99.08102	0.7
103.05463	2.6
105.04512	0.8
105.07031	4.3
106.04176	10.2
107.04962	0.7
107.07848	0.8
107.08584	15.8
109.06504	2.8
109.10143	10.3
111.08035	1.2
116.04427	0.7
117.07010	2.4
119.04885	0.5
119.08591	2.9
121.06499	9.3
121.10139	5.9
123.08070	1.5
123.11690	1.1
125.05979	3.4
125.09612	0.9
127.07542	1.7
131.04915	0.9
131.08556	5.8
133.10094	4.3
134.03624	1.3
135.08046	4.3
135.11664	1.1
137.05981	1.5
137.09599	3.0
139.07533	1.3
145.10118	2.8
147.11652	3.0
148.05077	0.7
149.05983	12.0
149.09598	3.0
149.12125	0.8
149.13252	11.3
151.11157	1.4
153.05469	0.6
153.09076	3.5
163.11134	1.2
163.14790	4.0
163.52077	0.5
165.12808	0.8
167.10638	0.7
173.13258	8.6
177.05473	4.5
181.04961	0.9
181.08534	2.1
191.10657	0.6
191.14279	6.2
196.68817	0.5
209.08000	1.7
209.09837	0.7
209.13327	0.9
209.15341	10.3
209.20041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52868	0.4
75.63055	0.5
77.59889	0.4
79.05473	0.9
80.05019	1.1
81.05790	0.9
81.07050	1.2
83.08607	0.5
86.19276	0.4
94.06575	2.7
95.08636	0.8
97.99178	0.7
105.07032	0.8
107.07343	6.3
108.08119	1.2
111.04446	0.5
122.09664	100.0
123.10011	0.6
150.09122	7.0
150.10254	0.6
153.12781	0.4
163.97693	0.8
174.98061	0.4
182.11774	17.9
182.13393	0.9
183.65863	0.5
186.99390	0.7
208.06442	0.5
210.11232	11.3
210.14691	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36061	6.4
57.03434	10.7
61.20319	7.1
69.03424	11.8
70.81224	9.2
73.02905	14.6
85.02898	14.7
94.92992	19.0
97.02901	8.4
98.97586	10.4
100.22507	5.5
108.55688	5.5
110.97540	7.3
111.04443	8.6
112.89602	100.0
115.03902	13.9
116.98558	6.1
119.01835	12.1
120.94540	9.1
127.45597	5.7
139.03877	8.2
142.03438	11.3
193.94427	8.1
206.05042	6.5
210.94089	66.1
210.97127	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36061	6.4
57.03434	10.7
61.20319	7.1
69.03424	11.8
70.81224	9.2
73.02905	14.6
85.02898	14.7
94.92992	19.0
97.02901	8.4
98.97586	10.4
100.22507	5.5
108.55688	5.5
110.97540	7.3
111.04443	8.6
112.89602	100.0
115.03902	13.9
116.98558	6.1
119.01835	12.1
120.94540	9.1
127.45597	5.7
139.03877	8.2
142.03438	11.3
193.94427	8.1
206.05042	6.5
210.94089	66.1
210.97127	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.15376	0.8
53.03941	5.0
55.01868	5.2
55.05506	46.7
56.96563	3.0
57.03439	10.3
57.07069	3.1
59.05001	2.2
65.03938	1.3
67.05499	45.4
69.03422	12.8
69.07063	18.1
70.24556	0.8
71.01353	1.0
71.04992	6.5
73.06534	1.0
75.67665	0.8
77.03928	1.6
79.05489	30.8
81.03410	100.0
81.07049	48.9
83.04974	51.2
83.08614	38.3
85.02895	1.9
85.06532	5.3
91.05473	34.7
91.06041	1.7
93.07043	24.5
95.04963	38.2
95.08595	30.4
97.02888	4.0
97.06536	5.7
97.10166	11.6
97.99197	1.2
99.04444	1.5
99.08056	4.6
105.07021	26.8
105.07726	1.5
107.04942	8.5
107.08583	19.9
109.06500	11.4
109.10147	42.4
110.17919	0.8
111.04441	2.9
111.08074	16.7
113.06022	1.3
113.09651	1.2
115.05452	2.6
117.07018	2.2
119.04933	1.2
119.08564	30.1
121.06509	3.3
121.10135	14.1
123.08070	10.7
123.11675	6.5
125.09634	4.2
127.07493	1.6
128.06233	1.0
129.06993	10.8
131.08546	13.0
133.06497	5.0
133.10118	21.2
135.11685	31.1
137.09613	11.7
139.11157	1.1
142.07793	2.5
145.10092	1.6
147.08044	3.8
147.11670	17.9
149.09605	9.1
149.13284	1.8
151.11186	5.3
151.12291	0.9
151.14803	7.2
153.09120	1.1
153.12714	1.5
155.08615	1.1
157.10114	15.9
163.11252	0.9
165.12726	4.4
165.16368	1.4
167.07011	1.6
169.10112	1.7
169.12263	1.1
175.11169	20.1
175.14812	10.3
179.07156	1.1
193.12221	47.5
193.15855	8.9
211.13231	24.2
211.16832	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.55965	2.0
53.03937	4.4
55.01868	11.4
55.05506	36.4
56.96554	11.7
57.03430	6.8
59.63956	2.2
65.03913	3.0
65.33096	2.4
67.05500	90.1
69.03431	10.2
69.07054	26.6
69.47243	3.6
69.47632	5.0
71.04985	12.1
79.05486	75.1
81.03407	23.5
81.07049	97.6
83.04971	40.0
83.08617	23.7
84.95995	2.0
85.02893	8.6
85.06537	6.5
87.04450	10.0
91.05474	86.7
91.06052	4.3
93.07039	50.6
95.04961	100.0
95.08599	47.0
96.21923	2.1
97.02863	3.5
97.06522	21.6
97.10159	8.0
97.99168	5.2
98.64827	2.2
99.04454	3.2
101.02388	6.3
105.07019	62.1
107.04951	19.8
107.08588	50.4
108.49470	2.2
109.06511	31.1
109.10162	14.2
111.04435	12.8
111.08063	8.4
113.06023	3.7
115.05448	2.9
116.06267	2.2
117.07029	13.3
119.08564	37.8
121.06503	2.9
121.10150	18.5
123.08038	10.4
123.11677	12.6
125.09618	8.5
129.06998	26.5
131.08562	16.5
133.06476	9.1
133.10124	43.1
135.08044	30.6
135.11656	8.2
137.09621	5.7
142.07730	5.8
147.08080	3.9
147.11664	38.7
149.09596	15.9
151.07549	3.0
151.11180	33.0
157.10130	17.2
165.12733	18.0
165.87549	1.9
175.11179	32.6
175.12640	2.9
175.14729	4.5
177.13492	2.0
193.12227	35.6
193.15858	2.9
197.44342	2.5
211.13199	19.1
211.14670	2.1
222.95979	2.2
225.67448	1.9
231.47186	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03937	4.4
55.01863	4.0
55.05508	41.5
57.03441	7.8
57.07072	1.2
59.04996	1.5
65.03944	2.9
67.05501	26.1
67.81137	1.1
69.03427	10.0
69.07065	9.5
70.02583	2.2
70.02942	2.0
71.04989	5.1
77.03947	1.5
79.05489	33.7
81.03413	100.0
81.07052	35.3
82.03763	1.1
83.04975	50.3
83.08613	32.7
85.06532	2.0
86.20494	1.1
91.05477	31.5
93.07037	16.2
95.04962	34.5
95.08603	12.3
95.86846	1.0
97.02885	3.6
97.06523	4.0
97.10167	6.2
99.08103	1.3
102.82951	1.0
105.07021	23.8
107.04955	6.8
107.08591	7.2
109.06502	6.8
109.10197	1.6
111.04459	2.9
111.08082	14.8
115.05473	1.5
119.08569	19.9
121.10129	6.6
123.08061	2.8
125.09621	1.9
129.06996	11.6
131.08559	13.0
131.19708	0.9
133.06473	2.8
133.10112	11.8
137.09624	2.1
137.54633	1.2
142.07774	2.9
145.10114	1.2
147.08067	4.3
147.11684	14.4
149.09639	6.9
151.11221	1.9
157.10104	17.7
165.12680	2.5
175.11188	17.4
193.12225	43.7
211.13266	20.8
211.15086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.64492	1.0
53.03935	3.2
55.01868	6.4
55.05508	43.5
57.03426	8.1
60.72003	1.1
67.05500	27.9
67.34943	1.1
69.03429	9.4
69.07062	10.3
69.79892	0.9
70.70570	1.8
71.04987	4.3
71.24150	1.0
76.70667	1.2
77.03912	1.6
79.05488	30.8
81.03413	100.0
81.07051	36.9
83.04977	49.5
83.08615	34.3
85.06545	2.1
91.05473	31.7
93.07044	15.0
95.04346	1.6
95.04963	32.5
95.08596	14.9
97.02860	3.0
97.06524	4.0
97.10164	9.5
99.08107	1.5
99.36828	1.1
105.04468	1.2
105.07030	23.5
107.04965	7.3
107.05564	1.1
107.08572	6.6
109.06519	5.3
109.10150	2.0
111.04440	2.3
111.08069	12.9
115.05435	1.4
117.07030	1.8
117.94054	1.2
119.08569	19.3
121.06503	1.8
121.10136	8.1
123.08009	2.2
125.09625	2.3
129.06993	9.7
131.08556	13.1
133.06480	3.6
133.09283	1.3
133.10155	10.9
137.09633	2.7
142.07805	3.3
145.10083	1.2
147.08035	3.5
147.11670	12.7
149.09599	7.2
151.11256	1.1
157.10127	14.7
162.83658	1.1
165.12773	4.9
175.11186	16.8
193.12238	40.3
211.13263	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02377	1.0
53.03938	4.6
55.01868	6.9
55.05509	43.2
55.34875	0.9
56.96562	6.9
57.03432	7.3
59.04998	1.4
64.78289	0.8
65.03956	1.2
65.53043	0.8
66.37808	0.9
67.05501	27.4
69.03424	8.7
69.07063	14.2
69.69434	3.5
69.69800	1.6
71.04987	5.2
72.18049	0.8
79.05491	34.2
81.03414	100.0
81.07055	38.3
81.07454	0.7
81.07552	1.2
81.45150	0.8
83.04978	47.9
83.08118	1.9
83.08617	36.8
84.96022	1.0
85.02882	1.5
85.06538	2.2
91.05478	34.2
92.35571	1.0
93.07039	17.4
95.04964	36.9
95.08600	15.7
97.02895	3.6
97.06540	4.8
97.10173	6.9
97.99200	1.3
98.23441	1.7
99.04452	1.0
99.08094	2.2
104.80501	0.9
105.04510	1.5
105.07026	26.2
107.04944	7.1
107.08598	10.8
109.06506	7.1
109.10137	3.7
111.04449	1.9
111.08077	15.6
113.05967	1.5
115.05436	2.2
116.00206	1.4
117.07053	1.4
119.04932	1.7
119.08579	21.2
121.10139	9.2
123.08075	3.6
123.11730	1.6
125.09639	1.6
128.06273	1.4
129.07011	11.3
131.08568	12.9
133.06494	4.3
133.10117	12.1
135.11649	1.6
137.09662	1.8
142.07780	3.2
145.10150	1.7
147.08022	3.8
147.11665	16.7
147.43732	0.9
149.09645	7.4
151.11218	2.0
155.59462	0.9
157.10107	17.7
165.12733	1.7
168.49547	0.8
175.11189	16.8
175.14787	1.8
193.12233	50.4
194.16718	0.9
211.13248	25.9
211.14774	1.9
227.15077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52190	0.4
53.03938	0.7
55.01874	0.6
55.05509	12.8
55.42413	0.5
57.03426	0.6
57.07077	4.2
59.05007	2.4
59.82939	0.4
61.08315	0.4
62.29852	0.4
67.05504	25.4
69.03427	9.5
69.07069	15.5
69.07448	0.8
69.14189	2.6
71.04986	4.4
71.08638	0.5
77.01501	0.4
79.05489	3.9
81.07056	26.3
83.04984	13.6
83.08617	7.9
85.06537	3.9
85.10219	0.8
87.08117	0.7
91.05459	3.2
93.07041	10.6
94.70682	0.4
95.04974	2.0
95.08604	36.5
97.06534	1.7
97.10149	2.4
99.08091	4.3
102.52966	0.4
103.05430	0.5
103.38546	0.4
105.07026	7.0
107.04933	0.5
107.08592	22.0
109.06506	10.2
109.10153	100.0
110.10504	0.7
111.08070	3.1
113.09635	2.0
117.07011	0.6
119.08578	23.0
121.10149	10.6
123.08063	13.9
123.11707	10.4
125.09621	1.6
127.11195	1.2
133.10126	18.8
135.11688	64.8
137.09607	17.3
138.10361	0.6
139.11156	2.6
147.11696	1.3
149.13243	4.6
151.11182	10.9
151.14821	13.1
153.12750	2.8
165.16385	2.9
175.14810	22.0
179.06946	0.5
193.15880	22.9
211.16930	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33041	1.1
50.57116	1.2
53.03946	1.4
55.05511	11.0
57.03426	1.8
57.07067	3.2
57.21394	1.1
59.04993	2.0
60.71153	1.1
67.05500	24.5
69.03421	9.5
69.07066	17.8
70.50241	1.0
70.70818	1.9
71.04991	3.8
74.30724	1.0
79.05492	5.5
80.85982	1.1
81.03421	6.0
81.07051	26.8
83.04980	13.8
83.08617	12.8
85.06549	3.1
91.05466	5.5
93.07035	10.4
94.35879	1.0
95.04992	3.2
95.08604	37.2
97.06538	1.9
97.10195	2.1
99.08098	3.9
105.07038	8.0
107.08595	21.7
109.06512	12.3
109.10152	100.0
109.37760	1.2
111.08088	4.8
119.08572	23.4
121.10138	14.1
123.08070	15.0
123.11694	8.2
125.09654	1.6
133.10127	19.1
135.11687	68.7
136.12073	1.2
137.09601	19.1
138.10448	1.3
139.11189	2.9
142.77525	1.1
147.11668	1.8
149.09668	1.2
149.13268	6.1
149.40598	1.0
151.11165	10.1
151.14812	13.8
153.12769	3.4
165.16373	3.7
175.11182	1.4
175.14806	21.8
193.12244	2.1
193.15869	20.3
211.16864	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.52190	0.4
53.03938	0.7
55.01874	0.6
55.05509	12.8
55.42413	0.5
57.03426	0.6
57.07077	4.2
59.05007	2.4
59.82939	0.4
61.08315	0.4
62.29852	0.4
67.05504	25.4
69.03427	9.5
69.07069	15.5
69.07448	0.8
69.14189	2.6
71.04986	4.4
71.08638	0.5
77.01501	0.4
79.05489	3.9
81.07056	26.3
83.04984	13.6
83.08617	7.9
85.06537	3.9
85.10219	0.8
87.08117	0.7
91.05459	3.2
93.07041	10.6
94.70682	0.4
95.04974	2.0
95.08604	36.5
97.06534	1.7
97.10149	2.4
99.08091	4.3
102.52966	0.4
103.05430	0.5
103.38546	0.4
105.07026	7.0
107.04933	0.5
107.08592	22.0
109.06506	10.2
109.10153	100.0
110.10504	0.7
111.08070	3.1
113.09635	2.0
117.07011	0.6
119.08578	23.0
121.10149	10.6
123.08063	13.9
123.11707	10.4
125.09621	1.6
127.11195	1.2
133.10126	18.8
135.11688	64.8
137.09607	17.3
138.10361	0.6
139.11156	2.6
147.11696	1.3
149.13243	4.6
151.11182	10.9
151.14821	13.1
153.12750	2.8
165.16385	2.9
175.14810	22.0
179.06946	0.5
193.15880	22.9
211.16930	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1647
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.01865	0.4
55.05506	3.0
55.07876	0.3
56.05016	0.4
57.03406	0.3
58.78429	0.3
62.71509	0.3
63.92465	0.3
64.19114	0.3
67.05502	2.6
68.05045	1.5
69.03417	0.4
69.07069	1.0
70.06596	3.3
70.27630	0.3
71.05008	0.3
72.08154	0.4
79.05485	1.3
80.05006	1.3
81.03385	0.6
81.05790	0.3
81.07054	2.0
82.06594	1.1
83.04971	1.1
83.07367	2.7
83.08616	1.3
84.05287	0.3
84.08143	3.9
84.95039	0.3
85.08562	0.3
86.06054	0.4
91.05464	0.8
93.07033	1.6
94.06587	0.4
95.04954	0.3
95.08601	1.0
96.08129	12.2
97.06511	0.5
100.07623	0.8
103.05476	0.5
104.17135	0.3
105.07028	0.5
106.07373	0.3
107.04955	2.6
107.08575	0.7
108.08149	0.6
109.08894	1.4
109.10141	0.7
110.06037	1.4
110.09671	1.0
111.08096	0.4
112.07630	0.4
120.08111	0.4
123.04427	0.5
123.10448	0.5
124.07593	0.5
124.11240	0.5
131.08556	1.0
133.10071	0.5
135.08031	0.8
136.07539	0.4
148.11160	0.4
152.07079	0.6
154.12238	0.7
163.07524	1.2
166.08574	0.4
166.15916	4.1
167.07037	5.1
169.19604	0.3
174.12662	0.3
176.14348	1.6
184.09778	0.4
194.15402	67.9
195.10124	0.9
195.15732	0.9
195.92561	0.3
196.14532	0.4
212.09181	1.2
212.16447	100.0
213.16852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49609	12.1
56.96546	19.7
58.39657	11.6
69.32404	54.0
70.06586	84.8
74.80592	11.5
85.02918	12.9
95.53246	14.2
112.89578	47.9
114.89294	62.3
116.07070	14.8
136.93999	23.8
140.06822	98.4
155.01836	16.5
156.01910	17.2
212.84123	69.6
213.06268	100.0
231.06644	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	30.0
57.03442	17.0
66.98928	15.3
70.06584	85.3
73.02921	18.1
79.14019	12.6
84.08156	34.1
85.02946	15.9
85.08492	16.9
97.02920	16.7
98.97595	42.5
99.91173	13.1
101.00851	22.4
108.27737	13.3
110.07155	18.8
112.07627	23.1
116.98632	22.3
119.01917	34.6
130.85089	14.8
131.01906	37.5
140.06850	15.9
144.05031	19.5
145.03416	26.4
147.96391	13.7
155.01848	17.0
160.04581	14.9
161.02950	17.7
172.04578	25.7
179.07962	14.1
181.04973	21.0
190.05617	34.3
212.84186	92.5
213.06332	100.0
213.07512	15.9
213.08115	20.8
213.12422	21.4
231.08815	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Methyl syringate
Peak:m/z	Relative Intensity
55.01873	0.9
55.05502	2.5
56.05028	1.2
59.59675	0.5
65.03940	6.6
67.05501	1.9
69.03427	1.1
69.07059	1.5
70.06602	1.4
71.04993	0.6
71.08648	0.9
71.28128	0.5
71.46268	0.5
72.08163	4.4
72.63854	0.5
76.40171	0.6
78.87331	0.5
79.05494	5.9
81.03435	0.6
81.07053	8.4
82.04198	1.5
83.04977	1.0
83.08630	0.6
85.02890	1.5
86.09697	1.2
87.82698	0.5
88.07625	1.4
91.05482	7.8
92.02621	1.5
93.03394	3.7
93.07029	1.5
94.04192	5.5
95.04972	2.9
95.08617	0.8
97.06523	1.2
97.07655	2.0
98.06068	4.8
98.09706	0.7
98.97592	1.0
99.08088	1.1
105.03411	1.2
105.06977	0.6
107.04960	5.0
107.08580	1.6
108.02095	1.0
109.02891	1.1
109.06521	14.0
110.03649	1.3
111.04456	5.4
111.08118	0.9
112.10036	0.9
114.10291	13.7
115.08685	1.8
115.10631	1.6
116.98615	1.2
119.06070	1.8
120.02089	4.4
121.02877	5.1
121.03957	0.9
121.10091	0.7
124.05172	1.1
125.06046	2.5
127.03900	1.5
135.04440	1.3
135.08015	0.7
135.11699	0.8
137.02345	1.1
137.05969	5.0
138.03128	1.9
139.03909	13.9
148.01555	1.7
148.97346	0.7
149.02322	3.0
149.13229	0.8
153.05466	2.4
154.06247	69.7
155.06546	0.6
166.02620	6.2
167.06992	1.7
169.08629	3.6
169.16997	30.7
170.15431	1.9
170.17334	10.1
171.06551	1.8
171.15729	0.7
181.04955	100.0
184.03682	1.8
212.17618	16.3
212.55566	0.6
213.07527	7.2
213.12535	0.8
213.16245	0.5
213.18033	5.0
213.19707	1.5
213.23302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02378	0.3
53.03939	0.5
55.01867	0.8
55.05508	2.1
56.05842	0.3
56.25193	0.3
57.03429	0.5
58.06570	0.4
60.74818	0.3
67.05501	1.0
67.94411	0.3
69.03431	0.5
70.06589	1.1
70.45670	0.6
71.05005	0.4
71.62436	0.3
72.08148	1.1
77.03912	0.7
78.04709	2.0
79.05490	6.8
81.07048	1.1
83.04976	6.9
84.08151	0.5
85.06544	0.5
85.08459	0.3
86.09688	0.5
88.07635	0.5
91.05470	3.5
93.03401	0.5
93.07032	1.0
95.04971	2.5
96.08126	1.0
97.08456	0.8
98.97585	0.8
103.05460	7.4
105.04500	0.8
105.07031	5.1
106.04141	1.6
107.04950	53.9
107.08573	1.5
109.02863	0.6
109.06518	0.6
111.04477	0.4
112.07607	0.5
114.09162	0.4
114.10288	1.5
115.05453	3.4
115.08696	1.1
116.98611	0.3
117.07013	1.3
119.04935	0.6
120.05719	1.9
121.06490	0.7
121.10133	0.5
122.03651	0.9
123.04428	5.0
123.08018	0.3
124.05202	2.1
125.05967	1.3
127.03931	0.7
128.10716	1.5
130.96294	0.7
131.04948	2.5
133.06479	0.9
134.03653	0.7
134.99759	0.5
135.04474	0.3
135.08047	15.1
135.11636	0.4
137.05972	0.9
139.03899	1.0
140.10715	0.8
145.06616	0.3
145.07582	1.6
147.04407	0.9
148.05130	0.4
148.82428	0.3
148.97324	0.4
149.06035	0.9
149.09668	0.5
151.03903	1.4
152.04684	2.3
153.13872	2.5
154.06210	2.4
154.12233	3.8
156.10199	0.9
163.07535	29.4
165.05507	0.6
167.07028	100.0
167.16238	0.5
168.07387	1.1
168.10262	0.7
177.09106	0.5
180.07779	3.3
180.15919	0.3
181.08614	0.6
195.10147	18.5
195.15746	7.9
196.14458	3.1
213.11197	4.3
213.16920	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05512	14.0
57.03441	19.7
67.05509	63.5
67.78103	2.0
69.07068	23.0
69.81969	5.2
71.01350	7.2
71.05000	4.8
76.84402	1.6
79.05493	48.8
81.03431	6.7
81.07063	34.1
81.07509	3.5
83.04985	17.4
83.08610	4.5
85.06550	4.6
88.07632	3.1
89.28365	1.7
91.05486	16.6
93.07047	62.5
95.04973	7.5
95.08599	8.8
97.06539	22.5
97.10150	9.6
99.08118	2.6
104.14028	1.7
105.07037	5.4
107.04968	1.7
107.08600	36.7
109.06564	1.6
109.10173	4.8
111.08057	2.5
117.07043	5.8
119.08581	10.7
121.06528	3.2
121.10145	16.2
125.61661	1.7
133.10156	5.7
135.08099	1.8
135.11699	100.0
137.09624	4.3
145.10106	19.6
146.21922	1.7
163.11186	15.2
181.12259	18.9
213.16537	8.5
213.23335	6.3
224.48289	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03959	3.0
55.01881	3.3
55.05505	18.2
57.03431	10.9
57.07064	3.8
64.65694	1.4
65.03918	1.5
67.05501	75.4
69.07065	24.2
70.02670	1.5
71.04984	6.0
76.65965	1.9
79.05487	33.1
81.03411	3.0
81.07051	100.0
83.04978	6.9
83.08619	17.9
85.06524	4.6
91.05471	23.1
92.66128	1.8
93.07038	60.9
95.04962	5.4
95.08607	27.8
97.06512	12.2
99.08057	1.8
103.28676	1.5
105.06347	1.5
105.07000	8.5
107.08585	32.9
109.06521	2.8
109.10128	3.1
111.08056	8.4
117.07011	14.2
119.08607	3.0
121.10147	16.2
123.11736	2.9
129.06914	2.2
130.04532	1.7
131.08551	13.6
133.10118	12.6
135.11682	14.1
139.11217	1.8
145.10107	6.6
149.13243	46.7
149.14438	2.5
151.11215	1.8
157.10167	4.9
159.11684	20.0
171.11676	6.3
177.12721	9.7
185.13266	2.7
185.41826	1.6
195.13832	12.2
195.15491	2.9
199.66968	1.7
213.16472	15.4
213.23195	2.3
215.84023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01865	2.3
55.05511	14.8
57.03439	22.4
57.07083	2.1
67.05505	71.3
67.05869	3.5
67.74578	1.7
69.07065	18.8
69.89474	1.9
70.44749	3.4
71.01366	7.8
71.05002	5.3
77.03944	1.5
79.05492	59.5
79.05950	3.7
79.09647	1.6
81.03407	9.1
81.07061	35.1
83.04973	20.2
83.08625	6.7
85.06559	5.9
88.07646	3.5
91.05497	17.0
93.07046	63.0
95.04972	7.8
95.08621	6.3
97.06525	21.4
97.10152	7.9
99.04493	2.1
99.08096	3.0
105.04521	3.4
105.07063	5.6
106.36610	1.6
107.04955	1.9
107.08592	38.7
109.10128	8.3
111.08114	2.0
117.07046	7.3
119.08573	12.2
121.06548	1.9
121.10138	19.7
133.10135	5.5
135.08115	2.2
135.11693	100.0
137.09610	4.6
145.10135	20.7
153.12798	3.1
163.11217	13.9
181.12224	22.6
206.26579	1.7
213.16391	5.9
213.23277	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03944	1.2
55.01616	0.9
55.01866	10.9
55.05507	52.8
57.03433	1.4
57.07066	1.2
59.04990	1.2
65.03919	0.4
67.05500	19.4
69.03427	5.9
69.03835	0.5
69.03902	0.3
69.07062	8.5
71.04987	49.1
75.12294	0.4
79.05489	11.9
81.03394	0.8
81.06565	1.0
81.07049	20.9
83.04987	3.4
83.08611	31.8
85.02924	0.6
85.06541	5.3
85.66183	0.5
87.04461	8.0
91.05476	3.8
93.07040	13.4
95.04984	0.6
95.08595	8.0
97.06524	72.2
97.10160	45.1
98.22719	1.5
99.08067	0.9
101.06029	0.8
101.09639	1.5
105.07013	2.5
107.04951	0.6
107.08584	14.1
109.06506	1.4
109.10150	10.6
111.08057	3.3
113.05984	0.7
114.82420	0.4
117.06986	3.5
119.08576	1.1
121.06497	1.1
121.10154	2.8
123.08035	0.5
123.11740	0.5
125.09624	28.7
127.07578	0.5
131.08549	3.5
133.10123	3.6
135.08032	4.4
135.11668	3.7
143.10632	0.4
147.11620	1.3
149.09615	1.8
149.13263	3.9
153.09081	1.4
159.11671	4.3
165.12801	0.5
167.14328	0.8
171.10127	1.5
177.12724	5.9
182.14455	0.5
189.11206	5.3
195.13788	35.2
213.14836	100.0
214.15298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	3.6
55.05511	18.6
57.03436	9.4
57.07074	3.1
65.03944	1.9
67.05505	76.1
67.91364	1.1
69.06721	1.3
69.07071	23.8
69.62402	2.9
69.62793	2.3
71.04997	6.7
73.02921	1.8
77.03899	1.3
78.85490	1.1
79.05048	2.2
79.05493	34.9
81.03396	1.9
81.07056	100.0
82.07368	1.4
83.04539	1.3
83.04971	9.3
83.08619	20.5
85.06540	4.5
85.98991	1.4
91.05484	20.8
93.07042	60.8
95.04945	5.4
95.08601	26.7
97.06524	11.5
97.10147	2.0
99.08077	4.4
103.81312	1.3
105.07044	7.2
107.08594	30.2
109.06512	3.5
109.10161	3.7
111.08074	9.2
117.07021	9.2
119.08572	1.8
121.06494	1.9
121.10149	14.5
123.11694	2.7
131.08586	13.8
131.20589	1.4
133.10152	14.7
135.08058	2.2
135.11696	14.6
149.13251	39.7
149.14450	2.0
151.11166	2.1
159.11697	19.3
177.12694	8.1
195.13835	9.7
207.49323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.6
57.03428	16.1
57.07063	21.0
63.27079	6.3
67.05514	72.3
69.07073	18.2
69.12202	23.1
69.12617	19.9
71.04991	13.4
71.07641	5.6
71.08632	10.4
79.05496	38.0
81.07063	100.0
83.04983	15.4
83.08624	26.6
85.06543	7.6
88.07623	18.0
91.05495	17.5
93.07056	58.9
95.05017	10.2
95.08598	22.5
97.06522	19.2
97.10180	6.3
98.22867	27.2
98.97607	14.0
105.07036	9.5
107.08620	27.9
111.08108	6.8
121.10157	16.7
128.06223	7.4
129.07047	9.7
131.08592	14.8
133.10150	9.0
134.99651	7.2
135.11679	10.5
143.08554	8.5
149.13264	52.0
157.10153	9.7
159.11707	23.9
177.12773	9.6
190.03835	8.8
195.11548	12.0
213.05528	22.3
213.12796	9.5
213.16470	30.1
213.23314	41.5
214.25317	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03923	3.2
55.01888	2.9
55.05511	21.4
55.31704	2.7
57.00073	1.9
57.03438	6.7
57.07067	3.2
59.26128	2.1
64.24312	2.0
66.52928	2.1
67.05510	74.1
69.07076	19.9
71.04992	5.7
75.75216	1.9
79.05503	31.7
81.07064	100.0
83.04989	7.0
83.08624	17.9
85.06563	3.9
91.05476	21.1
93.07053	56.8
95.04958	5.7
95.08611	24.7
97.06541	13.4
105.07047	8.5
107.08608	25.7
109.06554	3.4
109.10139	3.9
111.08067	6.5
117.07021	12.1
119.08549	2.4
121.10167	17.3
123.11700	4.9
131.08583	11.3
133.10136	16.2
135.11711	16.7
139.13741	2.1
149.13260	41.5
159.11716	16.1
177.12776	5.6
188.40552	2.0
195.13808	11.3
213.16573	4.4
231.72269	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	MKN-003B
Peak:m/z	Relative Intensity
51.94291	1.7
53.03933	3.3
55.01859	4.1
55.05511	20.6
56.05020	3.5
57.03427	12.8
57.07067	8.7
57.84083	1.9
67.05501	75.9
67.05861	4.3
69.06720	2.4
69.07068	28.3
71.04978	6.4
71.08620	3.9
77.03952	2.3
77.72949	2.0
79.05051	2.3
79.05491	41.9
81.07053	100.0
83.04967	9.1
83.08617	21.5
85.06538	6.6
85.10191	1.8
88.07623	3.1
91.05472	24.3
93.07040	79.6
95.04947	7.9
95.08605	28.2
97.06521	17.7
97.10156	2.2
97.85124	1.8
98.97568	4.6
99.08091	4.3
105.07014	10.1
107.08588	39.5
109.06506	3.9
109.10150	2.6
111.08070	8.5
117.07007	11.6
119.08574	4.3
121.06479	4.0
121.10110	21.1
123.11709	2.5
129.06961	3.3
131.08568	14.4
133.10098	10.8
133.96951	2.1
135.08107	2.4
135.11687	16.5
143.08485	2.2
149.13245	51.4
157.10101	2.6
158.10110	2.3
159.11685	18.4
171.11615	2.8
177.12729	11.6
195.11494	2.4
195.13815	13.3
195.15550	3.5
198.56985	2.2
213.12639	4.9
213.16458	11.9
213.23180	10.0
214.25154	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05515	16.8
55.28917	0.4
56.01405	1.1
58.06614	1.0
60.83422	0.4
67.05502	0.8
69.03417	0.8
69.07071	0.6
70.06597	1.9
70.39603	1.1
71.08636	34.7
71.75088	0.5
72.08160	15.6
79.05472	0.7
83.08622	1.8
88.07587	0.5
91.05467	0.9
93.07040	2.0
95.04964	0.9
97.02885	0.6
97.06527	0.6
98.06061	70.5
99.08099	24.6
100.11274	1.6
107.04955	1.1
107.08591	1.1
109.06502	1.3
111.08089	1.1
112.11242	1.3
114.12807	3.1
115.08698	100.0
116.10728	1.1
121.10168	0.6
127.07548	1.1
135.08061	0.7
141.38474	0.5
143.15401	0.7
149.09653	0.6
155.07024	1.9
157.10167	0.6
163.07550	0.9
167.07095	1.0
170.15382	1.4
213.08966	0.6
213.16048	6.3
213.23268	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.05507	24.4
60.10158	0.4
70.06593	0.9
70.53576	0.7
72.08150	15.4
73.04040	1.1
82.06581	0.5
83.04975	100.0
90.58149	0.4
97.07655	2.8
98.06053	3.1
100.07606	1.8
112.07609	5.7
114.10283	16.2
115.08684	19.7
153.13853	33.4
154.12256	63.0
155.12569	0.8
157.34943	0.4
171.14888	3.1
196.14439	39.2
213.17093	77.5
214.17439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03933	2.4
53.82061	0.9
55.01867	8.4
55.05257	2.0
55.05511	31.7
57.03433	2.0
57.07060	3.4
58.06584	3.8
59.04973	1.4
65.64851	1.0
67.05503	13.3
68.05005	1.3
69.03423	3.8
69.06717	1.1
69.07067	20.1
69.30486	4.0
69.30900	1.5
70.06577	1.8
71.04994	15.1
74.11133	0.9
76.03885	1.0
79.05484	11.6
81.03403	4.8
81.07052	26.7
83.04977	3.0
83.08614	29.9
85.02888	1.3
85.06544	5.8
86.09703	1.8
87.04488	1.9
87.47230	1.0
88.07616	2.3
91.05476	4.8
93.07040	22.0
95.04971	3.1
95.08604	40.4
97.06523	18.8
97.10155	17.5
98.97578	2.7
99.04433	1.7
99.07447	1.8
99.08090	34.1
100.11262	7.2
105.07008	5.1
107.08589	40.1
109.02880	3.4
109.06499	4.1
109.10155	13.0
111.04394	1.2
111.08079	21.2
112.11197	3.0
113.09624	3.3
114.12811	15.5
116.98646	1.5
117.07035	1.4
117.95135	1.2
119.08561	1.9
121.06507	1.3
121.10139	63.4
123.08060	2.1
123.11686	3.1
125.09622	11.8
125.13100	1.2
127.03896	8.8
127.07565	2.4
129.07013	1.1
131.08531	2.5
133.10141	2.3
135.08047	3.7
135.11690	14.4
137.13266	8.6
139.11137	3.7
143.08667	1.1
143.15408	3.2
143.60281	1.0
148.44626	1.2
149.09641	2.3
149.13283	7.8
153.05473	1.6
153.09064	1.2
153.12737	2.2
155.07010	4.8
157.10094	2.3
159.11696	1.9
163.07538	2.4
167.07036	1.5
170.19113	1.3
171.11580	1.2
177.09044	1.6
177.12775	2.9
177.16373	100.0
182.18973	2.0
183.10460	1.2
185.09659	2.0
189.11240	1.8
190.03865	1.4
195.10199	2.7
195.13753	8.2
195.17397	15.6
210.99997	1.1
213.05594	1.6
213.09074	2.7
213.12691	3.0
213.14804	20.1
213.16353	1.4
213.18317	8.4
213.19710	10.7
213.23230	88.8
231.06465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.2325
Annotation	(-)-(S)-Haliclorensin
Peak:m/z	Relative Intensity
53.03928	0.5
55.01857	0.3
55.05510	11.8
56.05024	1.0
57.07063	0.7
57.77436	0.2
58.06599	2.8
61.99885	0.2
67.05492	0.9
68.31910	0.2
69.07057	0.8
70.06578	0.8
71.04984	0.8
71.08608	0.9
72.08146	0.7
79.05477	0.5
81.03445	0.2
81.07040	0.8
83.04977	0.5
83.08616	14.3
85.06526	0.4
86.09733	0.3
87.09222	1.1
91.05464	0.4
93.07050	1.3
95.04947	0.5
95.08595	1.3
97.06508	0.5
97.10159	0.5
98.06051	2.3
98.09700	0.2
99.04433	0.3
99.08066	1.8
100.11245	8.0
105.06993	0.6
106.70682	0.3
106.86894	0.3
107.04954	0.4
107.08568	1.6
108.38744	0.2
109.02871	0.3
109.06501	0.7
109.10141	0.4
111.08106	1.5
112.11244	2.6
113.09628	0.3
114.12800	22.2
115.08702	2.4
119.08573	0.2
121.10142	2.0
125.09608	0.5
126.12762	0.6
127.03922	0.5
127.07574	0.7
129.06918	0.2
135.08008	0.4
135.11687	0.6
139.11084	0.3
143.15431	3.4
153.09077	0.4
153.12672	0.4
154.14574	0.4
155.07022	1.0
163.07568	0.5
167.07010	0.7
170.18983	1.3
177.12646	0.2
177.16376	2.2
182.19017	1.8
195.10094	0.3
195.17474	0.5
196.20558	0.2
197.53857	0.2
211.21652	0.9
213.09096	0.3
213.23242	100.0
214.23575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
58.06602	0.9
58.79288	0.4
60.59265	0.6
67.05502	0.5
69.07064	14.1
69.44328	0.6
70.06271	0.9
70.06605	1.1
72.08141	0.9
82.99828	4.0
84.08145	1.9
86.09701	75.2
97.06525	10.6
98.97602	1.5
100.02489	1.7
101.00875	38.2
112.02482	0.9
113.00875	0.7
116.98616	0.5
118.03513	11.5
119.01913	100.0
120.02006	1.0
130.03510	1.3
131.01904	2.0
133.03455	0.4
136.04529	1.5
137.02943	21.2
140.05479	0.5
142.03482	0.6
144.05049	0.8
144.08704	2.0
145.03452	0.6
149.02924	0.5
149.08864	0.6
151.67581	0.5
154.03542	0.9
155.05548	1.6
158.06636	0.8
162.09750	1.3
168.05052	0.7
168.08676	4.2
172.04555	1.8
172.08130	0.8
173.06564	1.6
186.09747	48.0
187.09906	1.0
191.03955	1.0
191.07622	1.2
196.08183	1.6
197.06645	3.6
204.10803	15.5
214.09225	31.4
214.14302	4.1
215.07640	4.7
217.32462	0.5
232.10287	68.9
233.08565	3.6
233.10565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00954	0.8
53.03936	1.5
55.01860	1.6
55.05511	39.9
57.03428	4.2
57.07069	1.5
59.25967	0.9
60.45069	0.8
65.03921	0.9
67.05163	1.5
67.05505	23.1
69.07066	36.3
69.42235	2.0
69.42635	2.2
71.04996	4.1
72.93796	1.0
73.06551	2.4
79.05495	13.6
81.07055	77.4
83.04980	6.4
83.08620	30.4
85.06544	7.0
87.04452	0.9
91.05474	16.7
93.07044	21.3
95.04954	2.1
95.08604	100.0
97.06527	10.4
97.10165	14.0
98.09689	0.9
99.08079	3.5
101.05991	2.2
105.07024	24.6
107.08607	10.1
109.06509	3.7
109.10149	8.5
111.08112	3.8
113.09634	1.3
115.05415	0.8
115.07548	1.7
117.07005	1.5
119.08577	39.3
121.10127	10.0
123.08060	9.1
123.11719	1.1
127.07526	2.5
127.21636	0.7
131.08592	0.9
133.10123	23.6
135.11696	19.2
137.09608	4.7
137.13249	21.9
141.09071	2.9
149.96057	1.3
150.96907	1.8
151.14745	1.8
155.10619	0.9
161.13254	68.0
167.97130	0.9
173.02364	1.5
179.12823	1.6
179.14304	21.2
196.17033	3.0
214.10881	0.8
214.16043	1.5
214.18019	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02002	1.1
55.01871	1.7
55.05509	46.7
56.05005	1.4
57.03432	1.8
67.05508	24.5
67.05865	1.8
69.03416	1.9
69.07068	44.4
69.07450	2.5
69.55199	4.1
70.06607	1.5
71.05000	4.7
73.06535	4.4
79.05489	11.3
81.07053	77.6
83.04993	4.8
83.08617	39.6
84.08118	1.1
85.06536	5.9
87.04420	1.1
91.05494	11.6
93.07047	16.4
95.04922	1.6
95.08603	100.0
97.06536	13.2
97.10166	15.6
98.22723	2.4
99.08083	4.5
101.06017	2.0
105.07028	17.3
107.08591	6.2
109.06509	4.4
109.10139	7.8
111.08072	4.6
113.05977	1.1
113.09629	1.5
115.07571	2.4
119.07748	1.9
119.08572	27.4
121.10159	7.4
122.11595	1.2
123.08064	9.8
125.09650	1.3
127.07516	3.1
133.10126	15.3
135.11696	15.8
137.09604	6.0
137.12251	1.8
137.13243	21.6
141.09093	3.2
161.13248	54.2
179.14304	13.3
190.44005	0.9
196.16942	15.7
200.94206	1.1
214.18008	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74046	0.4
55.02994	0.5
55.05505	1.4
57.07072	29.0
60.05646	0.7
69.07062	0.6
70.04845	1.1
72.08154	22.0
73.04075	0.5
85.06042	0.7
85.06536	7.9
86.09701	20.2
93.27463	0.4
97.07639	4.1
98.06045	0.9
102.09176	2.1
109.64069	0.4
110.09672	0.6
114.09135	1.7
114.10284	31.9
115.08687	7.7
128.60442	0.4
131.12904	0.5
132.95781	1.1
150.96863	0.9
155.15425	17.5
156.13831	65.4
157.14238	0.5
173.16501	3.6
181.13336	0.5
191.97148	0.7
198.16008	34.4
199.16449	0.6
215.18663	100.0
216.19064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
55.82711	0.4
57.07074	9.0
60.05650	1.4
61.63093	0.5
70.25615	1.2
72.08154	33.0
77.76390	0.5
85.06043	0.9
85.06539	10.5
86.09705	0.8
89.91499	0.5
97.07650	5.7
98.06046	1.3
101.75454	0.5
102.09172	2.9
114.09163	8.1
114.10284	30.2
115.08682	9.3
115.09479	0.7
121.10219	0.5
124.01808	0.5
131.12904	0.6
132.95853	1.5
150.96884	1.2
155.14110	0.7
155.15425	22.7
156.13834	72.3
173.16457	3.8
177.67264	0.5
191.97168	0.8
198.16013	38.7
215.18669	100.0
216.18883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1958
Annotation	12-Aminododecanoic acid
Peak:m/z	Relative Intensity
51.76697	0.5
55.01871	2.4
55.05507	23.3
57.03434	0.9
57.07072	6.9
58.75669	0.6
66.20561	0.6
67.05496	5.6
69.03442	1.0
69.07063	18.0
71.04984	0.8
71.06641	0.8
71.08636	2.5
73.06564	1.5
79.05486	2.8
81.07050	9.8
83.04981	6.6
83.08614	18.8
85.06535	1.3
85.10163	0.7
87.04449	1.0
87.08083	0.6
88.37451	0.5
89.06048	1.6
93.07038	4.3
95.08606	7.2
97.06525	3.6
97.10165	10.1
99.08093	0.8
100.07590	1.0
101.06023	2.5
107.08593	4.4
109.10133	1.3
111.04432	9.9
111.08080	2.5
114.09180	0.7
120.41779	0.6
121.10125	5.1
123.11748	1.0
125.09617	2.9
127.07571	1.1
129.05516	1.5
129.06961	0.7
139.01826	1.0
139.11130	0.8
148.76442	0.7
155.07030	9.0
163.14819	3.5
173.08095	7.9
187.07639	1.0
198.18521	100.0
199.09619	1.4
199.18925	0.9
216.12518	1.2
216.19576	94.3
217.10669	5.7
217.15883	1.2
217.20039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0859
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.01873	0.5
55.05508	9.6
59.04982	1.0
67.05479	1.3
68.99780	0.7
69.03421	0.4
69.07043	0.7
69.22788	1.8
73.02901	0.5
79.05484	0.5
81.07037	0.5
83.04979	14.3
83.08607	0.8
85.06528	1.3
85.81583	0.3
87.04461	1.0
89.02386	1.5
89.06029	4.0
91.05470	1.8
93.07030	0.4
95.08603	0.5
98.22655	0.6
99.04461	0.9
101.06010	6.3
103.05471	0.5
105.07053	2.3
107.08576	0.6
111.04438	26.2
111.08057	0.5
113.05997	1.6
115.05459	1.6
116.06242	0.4
116.98551	0.3
117.06995	2.0
119.08563	0.9
121.10133	0.4
127.07587	2.5
128.06223	3.6
129.05484	5.8
129.06985	4.4
130.07750	0.5
131.04927	0.7
131.08569	1.3
133.06499	1.5
133.10121	0.9
137.06026	0.5
141.06995	0.3
142.07751	0.3
143.08531	1.0
145.06474	1.4
146.07254	0.9
147.06563	0.6
147.07990	0.5
147.11671	0.4
155.07025	29.1
156.05702	2.0
157.06476	1.2
157.10130	1.0
157.83774	0.3
159.08063	0.3
159.11679	1.2
161.09615	0.4
171.08037	0.9
173.05949	1.9
173.08087	25.5
173.13118	0.4
174.06761	9.9
187.07512	0.6
189.09094	100.0
190.09427	1.2
199.09627	2.4
199.14867	1.0
215.12355	0.3
216.23077	0.3
217.08586	43.3
217.10699	21.8
217.15640	2.9
217.19392	0.6
218.09053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1218
Annotation	1,2,3,4-Tetrahydro-15-nor-4-oxochromolaenin
Peak:m/z	Relative Intensity
50.39947	0.3
54.19725	0.3
54.86080	0.4
55.01868	0.4
55.05509	10.7
56.12454	0.3
59.04987	1.3
67.05498	1.2
69.03408	0.6
69.07075	0.9
69.43630	1.8
73.02914	0.8
75.03655	0.3
75.04476	0.4
79.05489	2.9
81.07076	0.4
83.04977	16.7
83.08615	0.6
85.06537	1.6
87.04487	1.3
89.02391	1.2
89.06024	5.6
91.05498	1.5
93.07061	0.5
95.04967	0.7
99.04463	1.1
100.18192	0.4
101.06019	7.9
101.06653	0.6
105.04545	0.5
105.07030	0.9
107.04917	0.4
109.06487	0.4
111.04437	27.1
113.06005	3.2
115.05474	1.7
116.06251	0.5
117.07021	1.3
119.08601	0.6
121.06525	0.7
123.04442	1.1
124.05225	0.4
127.05470	0.4
127.07532	3.1
128.06194	2.4
129.05479	6.2
129.06966	2.8
131.04965	1.1
131.08575	2.4
133.06520	0.5
133.10077	0.5
137.05933	1.9
138.06740	2.8
139.07523	0.6
141.06976	1.3
142.07759	2.8
143.04921	1.2
143.08534	4.8
143.39438	0.4
144.05725	1.3
145.06480	5.7
146.07297	0.8
147.08032	0.6
151.07547	1.7
153.07014	0.6
155.07024	32.4
155.08485	1.5
156.07411	0.4
156.09366	0.7
157.06500	1.4
157.10123	2.3
158.07230	4.5
159.04449	1.4
159.08046	10.0
159.09323	0.6
160.05235	0.9
161.05968	5.5
170.07298	1.9
171.08043	14.3
172.08812	2.0
173.06024	8.5
173.08136	24.3
173.09622	4.9
174.06747	8.0
174.10362	1.2
175.07520	3.0
176.08310	3.5
184.08823	0.8
185.09624	3.3
186.10388	31.5
187.07527	20.4
187.09232	0.6
187.11086	0.8
188.08311	29.6
189.09091	17.6
189.10822	0.7
189.52344	0.4
199.09596	2.9
199.14775	0.5
200.71078	0.4
201.09126	0.7
202.09866	41.0
203.10333	0.8
217.10632	12.2
217.12305	100.0
218.12656	0.9
222.41292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
55.94489	0.2
56.05032	0.3
56.96568	0.4
57.03429	0.7
58.06599	0.4
68.05020	0.6
69.03419	0.7
70.06575	0.4
70.98107	0.3
71.11184	0.3
72.04517	1.0
72.08147	0.4
74.06078	7.5
80.05019	0.4
82.06578	0.9
83.04984	0.2
84.08145	0.7
85.02895	1.8
86.06051	1.9
86.09717	0.4
87.04461	0.6
88.07647	0.2
90.65497	0.2
96.57911	0.2
98.06049	2.4
98.97578	4.0
100.07619	0.8
101.00890	0.4
102.47052	0.2
110.06009	0.4
111.04422	0.3
112.04769	0.2
114.70535	0.2
116.98624	1.4
119.01910	0.6
128.07071	6.1
128.08014	0.3
134.99664	0.2
146.08113	100.0
147.08438	0.6
155.06894	0.2
156.07364	0.2
156.10207	1.0
156.37589	0.2
158.99651	0.2
174.08421	0.4
174.11223	0.9
176.04169	2.3
177.00760	1.0
177.02238	0.2
194.05254	4.0
195.01776	0.2
195.03554	0.2
195.05344	0.2
200.07631	0.3
203.53903	0.2
212.06253	0.8
218.05194	1.6
218.08812	0.4
218.13864	14.4
218.17346	0.5
219.01862	0.2
236.06291	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59021	20.3
58.06591	37.3
59.32107	20.9
70.50455	40.6
74.09703	30.4
94.93031	35.9
102.09200	63.5
106.94272	20.1
118.08684	35.5
168.55357	20.8
200.07607	29.9
201.07860	88.6
219.02777	100.0
219.09012	74.2
237.03929	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	0.9
55.05508	10.4
56.96551	2.2
60.04520	39.4
60.05623	1.3
61.01127	5.1
61.51378	0.5
72.08148	30.1
73.06547	25.4
74.06060	0.7
84.08103	0.7
86.09695	27.2
87.05573	1.4
90.03767	11.1
90.05521	0.8
97.07642	2.3
98.06055	1.3
98.97560	6.2
106.03253	2.5
112.09985	0.6
114.10278	5.4
115.08688	7.8
116.98595	2.8
118.02479	1.1
118.03236	13.4
128.10677	1.2
131.12898	1.2
132.10196	23.9
134.99643	0.9
154.09724	0.7
154.93167	1.6
159.09496	50.7
160.07898	72.2
172.94246	1.8
173.12851	12.4
177.10541	3.7
190.95148	0.9
201.12241	2.2
202.10025	12.0
203.14284	1.0
219.12724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05521	5.1
56.05029	1.0
56.96564	9.9
57.07076	1.0
60.04526	100.0
61.01162	2.1
67.05506	1.7
69.07066	2.9
70.02242	1.7
70.02949	1.0
70.06586	0.7
72.07787	1.2
72.08155	17.3
73.06556	9.8
74.06077	1.9
74.65273	0.6
79.80136	0.5
83.04980	1.2
84.08141	1.5
84.96033	1.2
85.08471	0.6
86.09706	76.2
87.05585	4.2
89.06016	0.7
90.03757	4.5
90.05561	4.7
91.05494	0.8
93.07042	1.3
95.54852	0.5
97.07690	1.2
98.02422	0.7
98.97584	23.5
101.00873	1.2
106.03244	1.1
107.08583	0.9
111.04442	1.6
112.10036	0.6
113.04963	0.8
114.10292	1.9
115.08699	2.2
116.03415	0.6
116.98623	16.8
118.03246	5.2
118.08633	1.0
119.01923	4.2
119.08595	2.2
120.02014	0.7
121.01659	2.1
121.10136	1.9
124.07568	1.0
128.10735	3.9
132.10204	52.0
133.03485	1.0
133.10110	1.4
134.99666	11.3
135.11734	0.6
136.92197	1.5
137.02968	1.5
138.46825	0.6
146.06020	0.9
147.03224	2.1
153.00705	1.3
154.93179	3.5
155.07056	1.3
155.11873	0.6
157.07533	2.1
158.99727	1.0
159.02870	0.6
159.09512	17.6
159.11591	0.7
160.07915	28.6
161.09534	0.7
165.04272	1.6
172.94249	9.3
172.95572	0.8
173.12854	35.5
175.08559	2.4
175.14830	0.6
177.00754	6.4
177.04308	1.2
177.10574	1.9
190.95316	11.4
191.02240	1.0
191.07956	0.7
195.01753	1.2
195.05321	2.7
195.95845	2.9
201.12352	6.0
202.10141	4.0
203.14336	8.1
208.96349	0.6
213.96942	3.1
219.01933	6.3
219.05310	1.4
219.09032	1.8
219.12842	38.1
219.17412	31.0
220.11688	1.3
236.98586	1.1
237.06465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03955	0.6
55.01878	1.3
55.05512	6.5
55.26419	0.1
56.96560	0.2
57.03426	0.7
57.07074	0.7
64.28641	0.1
65.03945	0.8
65.85651	0.1
65.92229	0.1
66.04707	0.2
67.05505	19.8
69.03422	1.1
69.07067	4.7
69.21726	0.3
69.22134	0.5
71.04994	1.0
77.03914	0.9
79.05494	22.5
80.05807	0.2
81.03429	3.2
81.07057	19.0
83.04991	1.0
83.08621	2.4
85.06529	0.7
90.70602	0.1
91.05481	23.8
93.07045	23.8
95.04972	3.8
95.08606	12.1
97.06524	1.4
97.10165	1.5
98.23465	0.2
99.08089	0.6
103.05477	0.4
105.04527	1.1
105.07033	8.5
107.04955	6.1
107.08593	11.4
109.06518	1.8
109.10156	4.5
109.10886	0.3
111.08072	0.8
113.09637	0.5
115.05418	0.3
115.21819	0.1
117.07018	8.4
119.06084	0.2
119.08584	7.9
121.06503	4.2
121.10143	7.7
123.08067	2.0
123.11697	0.9
125.09645	0.4
129.06984	0.4
130.07782	0.3
131.08568	15.0
133.10132	4.3
135.08063	0.8
135.11687	4.1
136.93973	0.2
137.09637	1.2
139.11197	0.2
143.08604	0.2
145.10127	6.6
147.11642	0.8
149.09663	0.4
149.13240	0.7
153.12755	0.7
157.10072	0.2
159.11696	3.2
161.13243	0.7
163.11128	0.2
172.94345	0.2
173.13301	1.3
175.14772	0.5
177.12755	0.3
190.95366	0.2
191.17950	0.1
199.14616	0.2
201.16374	3.3
219.17436	100.0
220.17770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05500	3.4
56.96566	2.2
57.07069	4.4
67.05493	4.7
69.03419	2.2
69.07070	7.8
71.04990	1.4
71.46760	1.7
71.78684	1.2
77.57170	1.1
79.05486	4.5
81.07055	16.2
83.04984	1.7
83.08610	2.7
91.05457	4.5
93.07048	8.9
95.04965	2.1
95.08612	13.1
95.09153	2.0
97.06508	2.2
105.07026	18.3
107.08595	12.7
109.06528	3.0
109.10143	9.2
111.08052	3.8
117.06991	3.0
119.08570	14.0
121.06520	7.8
121.10123	10.3
123.08068	3.7
123.11692	2.7
131.08566	7.3
133.10126	7.6
135.08058	8.8
135.11691	6.1
136.93991	1.9
139.11153	2.6
145.10114	22.0
147.11610	5.7
149.09581	2.5
149.13300	2.7
157.10152	1.7
158.10870	1.3
159.11697	16.0
161.13243	20.9
161.14526	1.9
163.11171	9.6
163.14790	4.0
172.94279	3.5
173.13240	5.3
175.14819	5.0
177.12717	2.4
177.16380	2.8
190.95337	4.7
191.17924	3.2
195.95738	1.7
201.16380	37.9
203.14273	1.7
213.96886	1.7
219.17432	100.0
220.17657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03948	2.0
53.67501	1.5
55.05513	10.9
56.96543	2.3
57.03431	2.4
57.07068	2.2
59.04967	2.2
65.03918	2.5
67.05171	1.7
67.05503	24.5
69.03426	3.8
69.07072	13.1
69.70056	5.6
71.04969	6.1
71.49170	1.2
72.74345	1.6
79.05116	1.9
79.05501	21.1
81.07062	73.1
83.04943	6.6
83.08585	4.2
85.06506	1.9
91.05484	18.2
93.07051	49.2
95.04963	8.7
95.08613	51.4
97.06530	23.7
97.10149	2.1
103.05441	3.1
105.07040	43.3
107.04855	1.4
107.08600	42.0
109.06471	7.0
109.10167	28.4
111.08042	6.7
117.07027	9.3
118.06549	2.0
119.07775	2.4
119.08585	34.7
121.06490	2.4
121.09414	2.1
121.10152	26.2
123.08103	9.4
123.11705	15.4
125.09586	6.6
129.06926	4.4
131.04892	3.5
131.08572	19.4
133.10132	19.0
135.07979	2.3
135.10756	1.8
135.11696	19.6
137.09579	3.4
141.06931	2.9
143.08495	2.1
144.09282	3.3
145.10133	42.4
146.10875	1.9
147.11685	9.5
149.09538	4.0
149.13234	8.4
151.11098	3.2
154.93217	2.0
157.10034	2.0
159.08038	1.5
159.11702	34.0
161.10696	4.7
161.12090	2.4
161.13268	33.5
162.09068	1.9
163.11192	7.2
171.11629	1.9
173.13225	9.8
174.06758	3.2
175.14749	6.5
176.14276	7.0
177.12628	2.6
186.06683	1.9
186.14011	1.7
189.09088	7.3
191.17883	5.8
195.21864	1.5
201.09059	3.7
201.16400	61.6
219.10037	5.9
219.17336	100.0
220.16920	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.02371	0.2
53.03942	0.6
55.01859	1.0
55.05508	5.5
56.96561	1.3
57.03434	0.3
57.07069	0.6
59.05006	0.2
65.03944	0.7
67.05501	16.2
68.89304	0.1
69.03419	0.6
69.07062	3.9
71.04980	0.7
77.03904	0.7
79.05488	17.9
81.03414	2.5
81.07051	16.0
81.07558	0.2
83.05000	1.0
83.08614	2.0
85.06543	0.6
91.05475	21.2
93.07039	19.5
95.04962	3.4
95.05484	0.1
95.08598	8.9
97.06524	1.2
97.10167	1.2
103.05439	0.3
105.04517	1.1
105.07024	7.7
107.04946	5.2
107.08585	9.4
109.06517	1.5
109.10152	3.5
111.08084	0.5
113.09643	0.6
115.05442	0.5
117.07012	7.8
119.06075	0.2
119.08573	7.3
121.06501	3.0
121.07320	0.2
121.10133	6.5
123.08067	1.3
123.11691	0.6
123.38138	0.2
125.09595	0.3
129.06989	0.2
130.07767	0.3
131.08559	13.0
133.10117	3.8
135.08011	0.8
135.11679	3.6
135.12648	0.3
136.92133	0.2
137.09650	0.8
139.11195	0.2
143.08524	0.2
144.09218	0.2
145.10114	5.4
147.11699	0.7
149.09642	0.4
149.13266	0.5
153.12709	0.7
154.93202	0.5
157.10130	0.3
159.11665	2.9
161.13240	0.7
163.14876	0.2
172.94249	1.5
173.13211	1.6
175.14854	0.4
177.12755	0.4
190.95285	1.6
191.14293	0.2
191.17917	0.2
195.95850	0.3
198.98347	0.2
201.16356	3.1
203.14381	0.3
213.96892	0.4
219.17422	100.0
220.17714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05509	8.2
56.96556	8.3
57.03412	2.4
57.07065	2.3
58.90525	1.7
65.03931	3.4
67.05505	16.9
69.03414	1.8
69.07066	6.9
71.04968	3.6
71.46349	2.1
79.05486	20.6
81.07052	29.5
83.04981	7.2
83.08595	3.4
91.05476	29.1
93.07043	29.7
95.04955	6.9
95.08599	25.1
97.06503	5.2
105.06349	2.5
105.07024	37.5
107.04975	3.7
107.08590	44.6
109.06528	8.5
109.10152	27.3
111.04413	1.5
111.08072	2.4
113.00002	11.3
117.07014	9.1
119.05971	1.7
119.08575	24.7
121.06493	6.4
121.10140	16.3
123.08081	6.9
123.11697	3.3
125.09657	4.2
128.06212	1.9
129.07018	4.8
131.08569	17.2
133.10114	11.5
135.08032	5.9
135.11682	14.5
136.92113	1.7
137.09622	2.7
139.83124	1.6
141.07014	2.8
143.08565	1.8
144.09280	2.2
145.10115	31.4
147.11713	6.9
149.09586	8.0
149.13232	4.6
154.93225	4.7
157.10052	2.1
158.07224	1.8
159.08067	3.2
159.11682	28.8
161.13261	29.8
161.78583	1.4
163.11150	7.8
163.14839	5.5
172.17657	1.5
172.94214	11.0
173.13316	9.0
174.06749	5.4
175.08629	2.4
175.14801	2.7
189.09137	8.5
190.95302	9.9
191.17896	4.2
195.95840	1.5
201.09048	4.3
201.12701	2.7
201.16394	41.3
203.14293	3.8
213.96930	3.8
219.08055	2.5
219.10158	10.8
219.14073	12.1
219.17416	100.0
227.11517	1.5
237.66858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
54.54327	0.9
55.05516	8.1
56.96571	0.9
59.04987	1.1
65.03943	1.0
67.05499	8.1
69.03432	1.5
69.07063	6.0
71.04994	16.0
77.03966	1.1
77.79765	0.9
79.05497	15.3
81.06629	1.6
81.07056	23.0
83.04975	2.9
85.06542	0.9
91.05476	26.4
93.06451	1.2
93.07043	19.6
95.04972	2.9
95.08600	11.8
97.06519	4.4
97.10144	1.4
99.08083	1.0
103.05453	3.3
105.07027	69.2
107.08590	16.3
109.06497	2.5
109.10149	6.8
111.04471	1.1
111.08058	1.6
113.09651	1.1
115.05424	2.4
117.07011	8.0
118.07762	1.2
119.08588	20.6
121.06476	2.7
121.10152	11.1
123.08084	1.5
123.11655	2.3
125.09621	16.8
128.06187	1.3
129.07007	6.6
130.07721	1.8
131.04929	6.6
131.07578	0.7
131.08565	21.7
133.10126	100.0
135.08061	2.1
135.11697	3.8
137.09592	1.6
139.11237	1.5
141.06979	4.0
145.06467	1.6
145.10121	14.8
147.11682	11.3
149.09593	1.2
149.13274	2.4
151.11128	1.3
157.06441	2.3
157.10156	1.6
158.07288	2.5
158.10905	1.1
159.08057	3.3
159.11699	16.9
160.05234	1.3
161.13254	8.1
161.64342	0.9
163.11177	3.9
169.06444	2.6
172.94370	1.6
173.06001	1.0
173.13258	5.4
174.06783	8.8
175.07556	1.1
175.14774	2.1
177.12721	1.3
186.06776	2.6
189.09100	11.3
190.95364	1.2
191.10577	1.2
191.17993	1.5
201.09166	5.3
201.12773	1.0
201.16360	14.8
202.12198	1.7
203.14354	1.1
212.76694	1.0
219.10060	13.3
219.13925	1.8
219.17439	36.0
220.18015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.82738	1.3
53.03922	2.0
55.05291	1.5
55.05513	14.0
56.99876	1.4
57.07068	1.8
58.85659	1.2
67.05175	1.1
67.05512	19.7
69.03432	2.8
69.07075	10.9
69.64946	5.5
71.04988	8.6
73.95802	1.3
79.05492	25.6
80.46393	1.1
81.07059	100.0
83.04992	2.4
83.08607	4.0
85.06544	4.3
91.05484	13.6
93.07053	30.1
95.04959	2.3
95.08609	24.8
97.06522	4.2
97.10173	3.0
98.23439	2.3
100.63106	1.4
105.07027	32.8
105.07738	2.0
107.08595	33.4
109.06509	11.2
109.10162	19.6
111.08096	7.7
117.07021	4.1
118.06490	2.6
119.06055	1.3
119.08587	26.2
121.06480	2.6
121.10152	19.7
123.08061	15.4
123.11713	3.1
125.09629	3.0
127.07568	2.9
129.07028	2.4
130.07782	1.7
131.08557	15.8
133.10133	17.4
135.08061	8.5
135.11691	9.7
137.09595	8.6
145.10138	26.3
147.11687	8.6
149.09630	8.1
149.13271	5.1
151.11188	7.5
157.10095	1.5
159.08029	1.9
159.11694	29.1
161.09712	1.3
161.13261	15.2
163.11168	17.1
173.13303	10.1
174.06784	2.1
175.14832	8.7
176.14352	5.4
177.12654	2.7
177.16364	3.1
189.09123	3.3
191.17891	2.2
198.45944	1.4
201.16379	43.9
219.10114	4.5
219.13953	3.0
219.17433	71.2
220.16951	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03949	2.3
55.05508	16.6
57.07068	4.2
59.05016	2.5
67.05506	23.3
69.03426	3.2
69.07066	16.8
71.04987	10.6
79.05489	24.0
81.07056	96.6
83.04963	6.5
83.08607	6.0
85.06547	5.4
91.05488	17.8
93.07044	48.5
95.04940	9.6
95.08601	57.4
97.06524	16.1
97.10144	3.9
105.07034	45.1
107.08593	47.6
109.06508	9.2
109.10147	34.3
111.08092	7.4
111.38645	2.3
115.05444	2.4
117.07023	8.9
118.06523	6.2
119.08589	36.3
121.06552	2.5
121.10121	28.6
123.08099	13.3
123.11688	9.1
125.09666	7.0
129.06993	9.9
129.50085	2.4
130.07764	3.3
131.08551	23.1
133.10123	22.8
135.08067	5.8
135.11688	26.3
137.09612	8.3
141.06969	4.3
145.10132	41.4
146.10765	2.6
147.11647	12.1
149.09578	6.5
149.13228	8.8
151.11186	7.3
157.06476	4.6
158.07283	5.3
159.07997	4.6
159.11685	37.3
161.13245	31.2
162.09070	5.6
163.11218	15.0
163.14830	3.0
172.94238	4.3
173.13249	11.9
174.06747	10.3
175.14833	7.6
176.14348	15.0
177.12782	3.0
189.09129	14.6
191.18030	3.5
201.09143	5.0
201.16368	56.5
219.10147	17.5
219.13837	6.9
219.17430	100.0
220.16943	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05510	4.9
56.96564	6.2
57.07056	2.4
65.03917	1.2
66.28149	0.9
67.05499	9.3
69.03426	1.9
69.07064	5.3
69.61723	0.8
70.70609	1.7
71.04983	2.8
73.21373	0.8
79.05492	5.7
81.07054	21.3
83.04992	1.9
83.08619	2.2
91.05470	8.1
93.07043	18.5
95.04967	5.9
95.08603	22.9
97.06532	4.3
97.10159	1.1
105.07026	24.9
107.07923	1.7
107.08585	21.5
109.06522	4.8
109.10146	11.4
111.08084	3.2
117.07022	4.0
119.08575	19.9
121.06484	3.3
121.10145	13.6
123.08072	5.4
123.11711	3.4
125.09618	1.8
129.06944	1.9
130.07753	1.4
131.08557	10.5
133.10104	7.4
135.08046	3.2
135.11714	9.3
137.09607	0.9
143.08543	1.1
144.09294	1.3
145.08965	1.5
145.10115	25.8
147.11662	5.7
149.09592	5.9
149.13220	4.3
154.93193	3.7
157.10120	1.4
159.07956	0.9
159.09511	0.9
159.11690	19.3
161.13257	33.1
163.03993	0.9
163.11177	11.3
163.14815	5.5
172.94238	8.1
173.13240	7.6
175.14795	2.5
177.12788	1.1
177.16344	1.2
190.95349	8.5
191.14320	1.4
191.17993	5.7
195.95901	2.6
201.16380	43.6
202.79608	0.9
203.14227	1.9
213.96928	1.7
219.13950	2.5
219.17422	100.0
220.17818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05511	5.2
55.12310	0.9
56.96568	2.2
57.07076	2.0
57.39276	1.0
62.22049	0.9
67.05507	6.1
69.07061	4.7
69.48264	3.4
71.04984	3.2
79.05489	6.6
81.07058	23.8
82.51015	0.8
83.08601	2.8
85.06546	1.1
91.05484	4.5
93.06520	1.6
93.07045	17.4
95.04979	5.0
95.08601	21.1
97.06538	5.8
105.07023	26.5
107.08595	23.2
107.29190	0.9
109.06527	6.0
109.10169	12.0
111.08092	3.0
117.07012	2.6
119.08578	17.1
121.06518	3.1
121.10136	15.0
123.08062	6.5
123.11719	4.7
125.09694	1.3
129.07027	0.9
130.07771	0.9
131.08583	9.6
133.10115	8.4
135.08073	2.2
135.11670	9.9
137.09634	1.9
143.08575	1.1
144.09393	1.2
145.10126	25.0
146.10774	1.3
147.11691	7.0
149.09622	7.4
149.13249	4.1
151.11165	1.3
159.11711	22.0
161.13255	30.9
163.11197	10.5
163.14812	4.0
172.94330	1.4
173.13248	4.7
174.06773	1.3
175.14854	3.6
176.28819	1.0
177.12695	1.3
177.16429	1.5
190.52721	0.9
191.17984	4.7
195.95905	1.2
201.14478	1.6
201.16377	44.1
219.17441	100.0
220.17722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Occidol
Peak:m/z	Relative Intensity
55.05513	8.6
57.07071	1.5
58.37676	1.0
65.04768	1.1
67.05501	7.0
69.07059	6.4
69.85422	2.9
71.04994	12.1
73.06577	1.5
79.05489	18.0
81.07059	19.4
83.04965	3.7
83.08630	1.6
91.04940	2.5
91.05479	30.3
93.07044	18.1
95.04954	3.2
95.08601	12.0
97.06503	5.6
99.08088	1.2
102.92462	1.3
103.05450	3.9
105.07030	64.1
107.08596	15.5
109.06557	2.0
109.10173	9.5
111.04439	1.2
115.05444	4.6
116.06174	1.5
117.07021	5.4
118.07822	1.7
119.08577	16.0
121.06484	3.4
121.10140	12.6
123.08071	2.6
123.11705	2.9
125.08810	1.8
125.09642	16.3
128.06184	3.2
129.06992	11.9
130.07762	2.4
131.04935	7.7
131.08572	21.4
133.10127	100.0
135.08028	1.7
135.11697	5.0
137.09604	1.6
139.11136	1.6
141.07010	9.6
143.08540	2.2
144.05637	1.3
145.06511	2.8
145.10129	17.3
146.07179	1.3
147.11707	8.1
149.09627	1.4
149.13263	1.6
154.93169	1.3
155.07031	1.5
156.07552	1.2
157.06459	5.9
157.10199	1.3
158.07246	4.7
159.04424	1.2
159.08046	7.4
159.11697	17.0
160.05296	1.3
161.13255	12.9
162.06764	1.3
169.06444	2.3
169.13620	1.1
170.07259	1.2
172.94278	2.1
173.13260	4.2
174.06770	18.3
175.07518	4.1
175.14780	2.3
177.12605	1.4
186.06773	3.4
187.07504	1.8
189.09097	25.7
190.95268	1.8
191.10637	2.3
191.17931	1.9
201.09114	9.8
201.16373	14.5
202.12228	3.0
219.10153	30.9
219.13678	2.4
219.17444	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.16577	0.6
55.01877	1.2
55.05517	1.2
56.04893	0.6
57.07084	6.7
59.05011	5.1
67.05511	6.2
67.48307	0.7
68.85899	0.5
69.07076	4.9
70.02951	6.7
70.97183	0.7
71.35107	0.7
72.04128	1.4
72.04520	17.5
73.02917	3.5
74.02443	1.5
81.07069	1.4
83.05024	1.3
85.06544	9.0
86.09734	1.2
87.08109	1.8
90.05562	100.0
93.68780	0.6
95.04975	6.2
95.90921	0.7
96.08134	2.1
98.01783	1.2
98.02426	17.6
98.06088	1.0
100.03981	2.3
103.07582	7.3
113.06042	4.1
116.03465	15.1
116.21941	0.6
124.07594	17.9
131.07115	0.8
142.08633	7.2
156.10213	1.2
158.11795	1.8
160.09677	2.2
166.08667	2.1
172.09761	0.8
174.11270	1.6
184.09706	20.1
202.10750	30.4
204.14687	0.8
205.15883	1.3
220.11790	37.9
220.17908	2.1
227.17661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05517	1.4
57.03425	0.8
57.07075	7.2
59.04762	0.5
59.05001	5.2
62.72435	0.6
67.05499	7.1
69.07073	5.0
70.02948	7.9
70.52857	1.4
72.04514	17.2
73.02919	4.3
74.02446	1.9
81.07041	0.9
83.04967	1.3
85.06544	11.6
86.09701	1.6
87.08096	1.4
90.05552	100.0
95.04961	8.2
96.08122	2.6
98.02409	17.5
100.03968	2.6
103.07573	8.6
113.06003	3.1
116.03455	11.4
124.07588	19.0
131.07001	1.0
142.08635	8.8
158.11787	1.3
160.09683	2.6
165.73430	0.6
166.07242	0.5
166.08640	2.4
166.14697	0.7
174.11221	2.7
184.09682	19.4
192.02876	1.0
202.10741	30.4
205.15831	1.2
211.89383	0.7
220.11772	35.3
220.17633	1.2
239.16315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
57.07076	0.7
65.74933	0.3
69.03439	0.5
71.46362	0.3
71.55427	0.3
80.51438	0.4
87.04464	67.0
91.05468	0.5
93.07088	0.4
105.07053	0.5
107.08585	0.5
117.07010	1.2
118.06526	6.1
118.07305	0.6
119.07315	7.8
121.06480	0.4
127.19067	0.4
132.08069	0.7
134.09647	100.0
135.10008	0.6
136.06172	3.6
149.31905	0.4
159.06689	0.4
181.36986	0.3
192.06522	0.5
192.10211	0.5
205.15836	2.0
220.13327	87.8
220.17661	2.7
221.13661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.84741	0.1
67.05527	0.1
70.30810	0.1
70.31120	0.2
95.41669	0.1
98.23337	0.2
102.85242	0.1
105.07012	0.2
106.06554	0.2
106.07330	0.2
106.10024	0.1
107.23482	0.1
118.06531	8.4
119.07337	0.3
120.08101	0.2
131.52863	0.1
132.08067	2.2
133.08847	1.1
133.09979	0.2
134.09616	0.5
144.08063	0.2
146.09630	2.1
147.10420	0.3
148.11121	0.2
160.11197	0.4
161.11996	0.1
162.09125	5.4
163.09944	0.2
174.12788	0.2
176.10756	3.4
176.14328	23.8
177.11441	1.4
177.14728	0.2
178.12201	0.2
189.15050	0.3
190.12241	2.6
191.12918	0.3
191.89162	0.1
199.17628	0.1
202.15843	0.9
204.13762	0.2
220.16940	100.0
221.17322	1.2
223.04759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05513	0.5
56.96570	0.5
57.07066	2.0
59.04984	0.6
67.05495	1.3
67.29691	0.4
68.92291	0.4
69.95386	1.3
73.02907	1.1
75.04468	0.9
81.07040	0.9
82.02926	1.9
87.04459	0.8
91.05464	0.7
91.11758	0.5
94.06559	3.5
95.08617	0.4
104.05022	0.7
104.10741	4.8
107.04947	1.0
107.08614	0.7
115.03935	0.8
115.05435	0.7
116.98588	0.5
120.08070	0.6
130.06529	50.4
132.04451	35.2
133.04910	0.5
137.05968	0.5
147.09212	1.0
148.07582	0.8
148.97694	1.6
157.07614	23.4
158.06013	74.0
159.06401	0.7
161.04433	2.3
161.05775	0.6
166.98772	0.9
174.93741	0.5
175.08669	100.0
176.07057	1.4
176.09106	0.6
186.05458	2.2
189.03949	0.7
192.94865	0.7
203.08180	1.9
204.06590	5.0
205.15871	1.2
206.16255	0.6
220.17818	0.8
221.09221	32.4
232.49637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1539
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02382	0.9
53.03948	2.5
55.01891	1.2
55.05513	8.3
57.03434	0.7
57.07090	0.7
59.05004	1.1
65.03954	1.1
67.05505	11.0
69.03421	0.8
69.07073	10.9
70.53768	1.2
71.04996	2.9
73.06573	1.1
77.03935	3.0
78.04706	0.6
78.10441	0.6
79.05498	51.5
80.74799	0.6
81.03419	0.8
81.07061	32.1
83.04972	1.5
83.08627	4.8
85.06551	3.3
87.04473	1.0
91.05484	34.4
93.07047	100.0
94.07385	1.2
95.04968	9.8
95.08616	12.7
97.06507	1.1
97.77679	0.6
98.97588	2.5
99.08028	0.7
101.06052	1.3
105.04523	5.1
105.07035	28.3
107.04974	0.9
107.08598	62.4
109.06499	4.6
109.10178	1.6
111.08067	1.1
112.63663	0.6
116.95721	0.6
116.98623	1.7
117.07034	4.1
119.06105	1.0
119.08585	29.4
121.06493	2.3
121.10156	15.2
121.52189	0.7
123.08094	3.8
127.07557	1.0
128.06195	0.9
129.07027	2.8
131.08578	6.9
133.10138	9.5
134.99649	1.4
135.08080	1.3
135.11766	1.2
137.09599	1.0
139.07579	1.2
142.07777	1.5
143.08563	6.4
145.10107	0.7
147.08063	2.7
147.11681	4.1
149.09621	0.7
157.10118	3.3
158.01247	0.7
159.11699	6.5
161.09641	4.2
161.13266	23.5
165.09119	0.9
175.11206	5.0
175.14828	6.4
179.10677	0.9
180.97728	0.7
185.13269	14.8
203.14320	8.7
221.15364	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79862	0.2
55.72245	0.2
58.06595	0.7
60.08160	3.7
70.08846	0.6
82.16310	0.2
85.35413	0.3
85.56104	0.2
91.72205	0.2
102.07202	0.2
104.10739	100.0
105.11062	0.5
133.54413	0.2
142.45320	0.2
181.65553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36466	0.5
53.03942	1.2
55.05507	7.0
57.07060	2.5
59.04994	1.1
67.05502	6.8
69.07068	7.8
70.33765	1.1
71.04991	15.6
73.06556	0.8
77.03922	1.2
79.05489	16.0
81.07053	66.4
83.04967	1.5
83.08624	2.8
85.06518	1.1
91.05472	9.3
93.07040	28.4
95.04971	1.3
95.08603	19.4
97.06542	1.2
97.10146	0.8
98.97506	0.7
99.08102	4.8
105.07018	20.6
107.08588	50.1
108.09026	0.8
109.06506	1.4
109.10147	15.7
111.08057	1.0
113.09671	1.2
117.06974	0.6
119.06055	1.2
119.08577	33.3
121.10142	6.0
123.08033	0.7
123.11707	14.3
125.09644	1.0
127.11200	7.0
133.10126	20.4
135.11687	100.0
136.12007	1.2
137.09576	1.6
137.13239	1.7
139.11185	0.7
143.26430	0.7
144.41251	0.5
145.10107	1.6
147.11681	16.7
147.12871	1.0
149.13271	5.0
151.11211	2.0
153.12752	0.8
159.11751	0.7
160.12521	0.9
161.13252	8.5
163.14767	3.3
165.12740	1.5
175.14919	0.7
177.14781	0.8
177.16370	1.4
203.17947	27.6
221.17247	4.0
221.19019	29.7
221.21948	5.0
222.19315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03943	2.8
55.05505	16.5
57.07067	6.0
59.04996	2.1
65.55558	1.3
67.05501	16.1
69.03415	1.6
69.07065	24.9
70.31255	2.2
71.04985	8.2
75.91669	1.3
79.05492	19.4
81.07053	76.2
83.04979	9.3
83.08633	12.4
85.06525	2.2
85.10194	1.5
91.05476	14.1
91.53246	1.4
93.04538	1.4
93.07038	34.6
95.04951	2.9
95.08602	55.3
95.09212	2.7
97.06525	3.6
97.10188	8.9
98.97574	3.3
99.08102	3.9
105.06400	0.9
105.07021	36.1
107.08585	58.7
109.06498	3.3
109.10149	42.3
111.08073	4.5
111.11744	2.0
113.09585	2.0
119.08575	40.1
121.10131	24.3
122.17873	1.3
123.08065	1.9
123.11708	15.5
125.09626	14.4
127.11169	2.8
133.09172	2.4
133.10117	31.2
135.10637	2.5
135.11684	48.4
137.09595	2.5
137.13206	2.2
139.11244	3.0
145.10106	2.4
147.11670	40.0
149.13231	6.5
151.11197	6.1
153.12776	1.6
159.11665	1.9
160.12448	1.7
161.09618	2.1
161.13246	23.1
163.14812	10.8
165.12737	5.5
175.14822	14.4
177.16397	5.1
203.17941	100.0
204.18384	2.0
221.05966	1.5
221.11668	1.6
221.15404	3.7
221.18987	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.04759	1.5
55.05508	8.2
57.07064	2.7
67.05502	7.1
69.07065	9.9
69.34715	7.9
71.04992	19.5
71.53202	1.6
79.05490	17.4
81.07056	71.7
83.04960	1.5
83.08607	3.9
91.05476	8.5
93.07040	35.1
95.04998	2.0
95.08605	25.2
97.61422	1.6
99.08105	3.3
105.04533	1.9
105.07032	22.4
107.08593	62.3
109.06519	2.4
109.10168	20.8
113.09612	2.3
116.98589	2.2
117.07005	1.7
119.08576	37.6
121.10163	7.5
123.11724	14.3
127.11203	3.7
133.10133	18.9
135.11685	100.0
137.09628	2.4
137.13190	2.6
147.11658	18.0
149.13258	5.8
153.12650	1.9
161.13257	12.3
163.14894	3.6
175.14818	2.0
177.16397	2.4
203.17938	33.6
221.18999	36.7
221.90950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03950	2.6
55.05508	29.2
57.07076	8.7
59.04993	7.5
60.28685	1.9
67.05501	36.2
69.03434	2.9
69.07066	38.6
71.04997	9.1
77.03923	2.6
79.05491	29.9
81.07054	100.0
83.04979	22.4
83.08611	11.8
85.06543	4.2
85.10143	2.2
91.05470	19.8
93.07037	48.4
95.04946	4.5
95.08604	63.8
97.06522	4.5
97.10171	13.1
98.97583	2.4
99.08089	4.0
105.07021	42.4
105.07726	2.2
107.08587	70.5
109.06510	5.2
109.10151	66.3
111.08065	5.7
111.11714	6.2
113.09588	1.9
113.43900	1.5
116.98600	1.8
119.08568	35.1
121.06497	1.9
121.10129	21.5
123.08044	4.7
123.11707	21.7
125.09631	14.2
133.10132	24.4
135.11682	23.6
137.09613	6.8
137.13251	3.3
139.11200	5.5
147.08058	2.8
147.11685	44.7
149.13223	4.8
149.46735	1.8
151.11191	7.0
159.11609	1.9
161.09584	2.6
161.13245	25.6
163.14799	19.4
165.12764	8.6
175.14813	15.3
177.16391	8.7
203.17935	94.2
204.18356	1.9
207.02838	3.2
221.15363	7.8
221.18988	65.8
236.85216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.05426	1.4
53.31425	1.7
55.01868	2.7
55.05507	13.6
57.03429	4.2
57.07068	3.2
67.05499	23.4
69.07064	20.9
69.10287	1.4
69.49847	2.9
69.50237	3.4
71.05003	6.1
73.15490	1.4
77.03888	1.5
78.29800	1.4
79.05486	18.7
81.07054	100.0
82.45108	1.9
82.97623	1.3
83.08630	4.4
85.06544	16.0
91.05481	16.3
93.06456	2.5
93.07040	49.3
93.27846	1.3
95.04963	1.7
95.08604	72.5
97.06525	2.0
97.10164	2.4
99.08091	41.9
105.07024	36.1
107.08591	50.7
109.10146	31.7
111.08090	7.3
113.09635	5.3
119.08578	54.0
121.10140	23.5
123.11698	16.4
125.09637	14.5
127.11210	3.8
133.10126	18.4
135.11685	43.6
137.13261	3.3
139.11168	3.0
147.11687	26.2
149.13261	5.5
159.11745	1.9
161.13252	13.1
163.09438	1.8
163.14832	12.5
175.14847	8.4
176.14410	1.7
177.14684	12.3
179.14206	1.6
203.17941	29.5
221.15044	3.4
221.17276	52.5
221.19081	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.36466	0.5
53.03942	1.2
55.05507	7.0
57.07060	2.5
59.04994	1.1
67.05502	6.8
69.07068	7.8
70.33765	1.1
71.04991	15.6
73.06556	0.8
77.03922	1.2
79.05489	16.0
81.07053	66.4
83.04967	1.5
83.08624	2.8
85.06518	1.1
91.05472	9.3
93.07040	28.4
95.04971	1.3
95.08603	19.4
97.06542	1.2
97.10146	0.8
98.97506	0.7
99.08102	4.8
105.07018	20.6
107.08588	50.1
108.09026	0.8
109.06506	1.4
109.10147	15.7
111.08057	1.0
113.09671	1.2
117.06974	0.6
119.06055	1.2
119.08577	33.3
121.10142	6.0
123.08033	0.7
123.11707	14.3
125.09644	1.0
127.11200	7.0
133.10126	20.4
135.11687	100.0
136.12007	1.2
137.09576	1.6
137.13239	1.7
139.11185	0.7
143.26430	0.7
144.41251	0.5
145.10107	1.6
147.11681	16.7
147.12871	1.0
149.13271	5.0
151.11211	2.0
153.12752	0.8
159.11751	0.7
160.12521	0.9
161.13252	8.5
163.14767	3.3
165.12740	1.5
175.14919	0.7
177.14781	0.8
177.16370	1.4
203.17947	27.6
221.17247	4.0
221.19019	29.7
221.21948	5.0
222.19315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00320	0.9
53.03939	1.4
55.05511	11.3
57.07069	3.1
57.35044	0.8
59.04996	1.2
61.89339	0.9
67.05505	10.6
69.07056	10.4
69.20502	5.9
71.04993	18.3
73.06538	1.3
79.05489	20.7
81.07053	90.8
83.04976	2.0
83.08641	5.3
85.06544	5.8
91.05480	10.4
92.70107	0.9
93.07041	40.3
95.04975	2.1
95.08018	1.7
95.08604	26.3
95.09211	1.5
97.06505	2.0
97.10146	1.7
99.08080	4.3
101.07890	1.0
103.05445	1.1
105.04522	1.4
105.07025	30.8
105.07737	1.7
107.08591	60.3
109.06529	2.0
109.10153	23.1
111.08080	3.4
113.09686	1.1
117.07007	1.7
119.06052	1.1
119.08579	45.0
121.10146	9.1
123.08097	1.2
123.11710	15.3
125.09631	1.7
127.11206	8.6
133.10129	19.7
135.11685	100.0
136.11932	0.9
137.09613	1.4
137.13203	2.2
139.11127	1.0
145.10118	2.0
147.11684	20.2
149.13243	6.9
151.11185	2.2
153.12794	0.9
161.13248	10.1
163.14816	4.1
165.12755	1.8
175.14796	1.6
177.16327	1.2
203.17947	33.0
203.19843	1.8
221.16934	2.0
221.19003	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
55.05521	10.0
67.05510	5.7
69.07069	11.4
69.21066	11.7
71.04994	22.7
71.08664	1.8
72.97784	1.8
79.05492	16.8
81.07058	65.3
83.08643	2.6
91.05476	7.1
92.78573	1.7
93.07045	38.5
95.08608	27.2
96.58332	1.7
97.10153	3.4
98.23422	3.9
99.08075	2.4
103.27490	1.5
105.07020	27.5
107.08590	56.9
109.10160	23.2
111.11736	3.4
119.08578	45.7
121.10137	6.0
123.08082	3.2
123.11693	14.7
125.09657	3.0
127.11178	7.4
133.10135	16.4
135.11691	100.0
147.11697	22.4
149.13248	7.4
149.54651	2.1
151.11189	3.5
161.13190	8.5
163.14848	3.7
177.16402	2.6
185.59860	1.9
195.55705	1.7
203.17952	33.3
221.19014	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	1.4
55.05510	12.0
57.03449	2.5
57.07078	3.7
59.05001	2.1
65.54204	1.5
67.05507	17.3
69.07069	16.4
69.57107	3.7
69.57489	3.2
71.05015	3.0
71.08640	2.9
79.05500	15.0
81.07060	59.9
83.08610	7.8
85.06545	2.9
85.64266	1.5
91.05469	12.0
93.07053	27.1
95.04955	2.5
95.08609	64.9
97.06520	3.0
97.10168	4.6
100.10444	1.6
105.07033	34.4
107.08597	51.7
109.06518	3.3
109.10155	39.0
111.08081	4.4
111.11757	1.7
119.08585	28.4
121.10162	23.1
123.08097	2.2
123.11717	16.4
125.09644	4.3
131.08557	1.8
133.10130	22.2
135.11708	12.5
137.13290	3.4
145.06500	2.1
147.11691	40.7
149.13222	6.6
151.07520	1.9
151.11188	12.4
159.08029	2.4
160.08830	5.4
160.12498	1.8
161.13271	20.3
163.14832	43.5
165.12741	4.2
172.08807	3.7
173.05922	2.7
174.24828	1.6
175.07578	1.6
175.14864	10.1
176.08295	2.5
177.16406	3.9
188.08307	7.8
190.09889	2.9
191.10657	13.1
203.10684	11.7
203.17961	100.0
221.11691	14.0
221.19020	45.2
221.21187	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
55.01851	0.4
64.90873	0.3
67.05484	0.4
69.68221	0.8
71.04998	0.4
72.64640	0.3
79.05473	0.6
87.00843	1.5
91.05456	0.7
93.05742	0.7
93.07005	0.4
95.04949	0.5
98.22742	0.6
98.45134	0.3
98.97562	1.4
106.06540	0.4
109.02807	0.3
109.06471	0.5
116.98604	1.1
117.05824	0.4
117.07039	0.3
119.31898	0.3
120.04433	0.7
120.08071	0.6
121.06496	0.4
124.07581	2.3
125.05991	0.5
130.06531	2.8
132.04430	0.5
132.08083	2.0
134.06021	0.3
134.09639	0.5
134.92882	0.3
134.99617	0.6
135.06784	0.4
136.07571	13.9
137.05977	3.0
145.05186	0.4
146.06000	0.3
148.06483	0.3
148.07545	1.8
149.02350	0.7
149.09483	0.3
150.05475	0.4
150.09094	0.6
158.01308	0.5
158.05928	1.8
160.07573	2.5
161.04729	0.6
161.08359	21.5
162.05493	100.0
163.05882	1.2
174.05429	0.4
176.07054	6.6
178.08615	9.1
180.06454	0.3
180.97888	0.6
189.07845	8.2
190.08510	0.4
192.06558	3.2
198.98932	0.8
204.06586	1.8
205.06801	0.3
206.08176	1.2
207.08908	6.7
222.07646	50.3
222.11165	37.9
222.14897	1.8
223.07927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
69.80244	0.9
71.69452	0.2
83.08624	0.3
98.22678	0.3
123.06775	0.4
132.08078	5.2
133.08890	0.6
148.06197	0.5
160.07536	0.6
161.08348	61.3
162.05499	2.6
162.08891	0.9
164.07080	0.5
175.48045	0.3
176.07036	0.4
178.08643	7.6
189.07832	21.5
190.08501	0.6
192.06401	0.3
206.08138	2.8
207.08891	17.7
222.11232	100.0
223.11494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01870	3.3
55.05513	2.5
57.03439	5.5
57.07077	1.3
59.04997	5.1
61.02918	1.0
65.03942	1.2
67.05508	3.3
69.03428	34.1
69.07052	1.4
70.06578	1.1
71.01355	9.0
71.04993	7.8
77.03925	2.0
79.05491	82.6
81.03413	3.9
81.07047	4.7
83.04981	4.1
83.08598	0.9
85.02891	2.5
85.06538	0.9
87.04477	1.0
89.06042	1.1
91.05478	17.7
92.90450	0.9
93.07065	6.0
95.04964	8.5
95.08587	5.0
97.02896	5.3
97.06564	1.8
99.04448	10.7
101.06017	1.1
105.04530	1.6
105.07036	9.6
107.04952	100.0
107.08591	7.7
109.02908	1.3
109.06507	11.2
109.10144	1.6
111.08047	1.4
117.05502	7.7
117.06181	0.9
117.06346	0.9
117.06979	6.9
119.08582	11.8
120.08102	1.9
120.36354	0.9
121.06492	3.3
121.10152	5.7
123.04469	1.9
123.08056	6.7
125.06042	1.5
125.09654	1.9
129.07013	2.9
130.07755	1.2
131.04977	0.9
131.08582	5.4
133.06483	1.7
133.10144	4.1
135.08113	4.4
135.11665	7.7
137.06004	1.0
137.09587	4.4
143.08554	1.7
144.09361	3.2
145.06506	1.7
145.10120	7.9
147.08060	5.8
147.11684	2.4
149.02336	8.7
149.05981	1.9
149.09624	2.8
151.07529	4.6
151.08690	2.2
153.09065	2.5
157.10127	1.0
159.04378	1.3
159.08028	1.2
159.11681	14.7
161.09639	4.6
162.08733	1.1
163.07515	1.6
163.11169	17.8
165.09138	4.1
169.10226	1.0
171.03572	0.9
172.08899	1.8
175.11122	4.6
177.05487	1.5
177.09125	1.6
177.12720	8.6
179.10645	2.5
180.12630	1.2
181.12184	4.4
187.11148	6.5
195.13741	1.4
205.12253	12.0
223.05927	2.0
223.11356	2.8
223.13289	14.8
223.18063	14.4
224.09099	2.2
225.04388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03931	3.6
55.01873	5.3
55.05511	21.4
57.03447	5.7
57.07069	1.7
65.03925	3.1
67.05502	47.5
69.03410	3.9
69.07064	14.1
71.04974	2.9
77.03928	1.4
79.05489	38.4
81.03411	17.0
81.07056	47.7
83.01330	1.5
83.04978	30.0
83.08618	12.6
85.02901	17.3
85.06525	4.0
91.05476	44.0
93.07039	35.4
94.04155	3.2
95.04966	40.1
95.08600	23.6
97.02863	2.3
97.05966	1.2
97.06535	11.1
97.10130	1.6
98.97562	2.0
98.98443	1.6
99.04433	1.6
99.08064	2.8
105.04535	2.0
105.07022	16.4
107.04940	13.5
107.08578	11.3
107.89053	1.0
109.02846	3.7
109.06528	7.7
109.10146	4.2
111.04429	8.8
111.08068	4.6
113.06001	2.3
115.05440	1.9
116.98605	2.7
117.07008	32.2
119.04908	2.2
119.08593	6.5
121.06508	6.5
121.10144	6.5
122.80787	1.1
123.04427	3.7
123.08056	3.0
123.11720	1.3
125.06014	5.6
125.09595	1.6
127.03862	1.1
127.07538	1.2
128.06259	1.2
129.06982	3.5
131.08553	22.8
133.10104	9.4
134.99719	1.0
135.08047	3.9
135.11684	9.2
139.07527	1.5
139.11229	1.6
141.07002	4.9
143.08536	2.4
144.09299	2.1
145.06473	3.4
145.10071	7.5
147.08044	1.4
147.11670	1.3
149.02306	4.5
149.09615	3.5
149.13271	8.4
151.11133	2.7
154.07692	2.5
157.10094	2.2
159.08026	1.4
159.11685	25.7
161.09636	2.7
163.07530	1.0
163.11221	3.0
167.04684	1.0
169.10114	5.3
177.12755	16.4
187.11156	8.8
205.10257	2.0
205.12222	36.3
223.13272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03944	3.5
55.01872	3.4
55.05507	12.0
57.03434	2.8
61.46717	0.4
65.03934	1.8
67.05501	29.9
69.03417	1.2
69.07063	8.5
71.04982	2.2
71.46558	0.4
77.03902	0.5
77.63975	0.4
79.05487	22.4
81.03415	15.4
81.07052	35.2
83.01326	1.2
83.04972	11.7
83.08618	6.5
85.02901	7.6
85.06533	1.5
87.08099	0.5
91.05477	20.5
92.99217	0.4
93.07039	17.7
94.04173	1.9
95.04962	26.7
95.08600	21.5
97.02875	1.4
97.06524	5.3
97.10159	0.5
98.97561	1.1
98.98460	0.9
99.04432	0.4
99.08077	1.4
103.05454	1.0
105.04499	1.5
105.07024	9.1
107.04252	0.6
107.04954	9.3
107.08582	7.0
109.02860	1.5
109.06522	4.3
109.10140	4.5
111.04444	3.7
111.08076	2.4
113.05988	1.1
115.05425	1.8
116.06237	0.6
116.98641	0.5
117.07011	14.7
119.04891	0.7
119.08563	3.5
121.06509	3.2
121.10136	4.3
122.73257	0.4
123.04418	2.2
123.08077	2.7
123.11646	0.5
125.05978	2.6
127.07539	0.7
129.06979	1.5
130.07770	0.5
131.04903	0.4
131.07660	0.8
131.08566	11.5
131.92339	0.4
133.06439	0.7
133.10135	4.9
135.04398	0.7
135.08061	1.8
135.11687	4.4
137.06000	0.9
139.12260	0.6
141.06976	2.9
143.08534	2.1
144.09387	0.6
145.06448	1.6
145.10094	3.9
147.08124	0.6
147.11670	0.5
149.02332	2.4
149.09624	1.5
149.13257	2.4
151.11143	1.0
153.05431	0.8
153.07042	0.5
153.12663	0.5
154.07780	0.7
157.10106	1.2
159.08086	0.9
159.11674	10.2
161.09596	1.3
161.13188	0.4
163.11191	2.0
163.14787	0.7
169.10129	3.0
177.12746	9.1
187.11160	5.1
187.14763	1.0
195.13818	0.6
205.12227	15.1
205.15639	0.5
223.07458	1.6
223.13271	100.0
223.16838	2.5
224.13614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01866	4.7
55.05504	6.4
55.41560	1.6
57.03436	7.7
57.07071	3.8
59.04996	9.6
62.55296	1.7
65.03941	2.3
67.05504	10.4
69.03425	38.9
69.07063	4.6
70.06578	2.1
71.01344	7.6
71.04978	14.3
72.17124	1.7
73.06548	6.9
79.05487	83.4
81.03412	4.5
81.07052	15.2
83.04980	8.3
85.02906	6.4
85.06498	1.9
87.78352	1.7
89.06024	9.4
91.05475	24.0
93.07047	17.4
95.04973	12.7
95.05499	2.1
95.08587	10.2
97.02894	6.0
97.06534	5.8
98.98470	3.6
99.04425	12.6
105.04513	3.6
105.07014	23.4
107.04948	100.0
107.08593	22.4
109.06507	65.5
109.10124	4.0
111.04447	3.2
111.08089	3.7
115.05473	2.1
117.05494	5.9
117.07019	10.7
117.09134	3.8
119.08573	35.1
120.08084	2.3
121.02903	2.6
121.06498	9.7
121.10127	16.3
122.06023	1.9
123.04424	9.8
123.08057	17.9
125.05963	5.5
127.22684	1.7
129.06993	8.7
130.07805	5.6
131.08556	12.5
133.06410	2.3
133.10098	10.2
135.04399	2.7
135.08049	20.8
135.11681	24.8
137.05981	7.0
137.09605	11.4
139.07527	1.9
142.07770	2.9
143.08563	3.8
144.09285	11.8
145.06488	2.4
145.10115	25.3
147.04308	1.8
147.08054	18.1
147.11734	4.2
149.02341	25.3
149.05978	3.2
149.09618	7.5
149.13297	3.0
151.07532	10.9
151.11150	3.3
153.09128	5.7
157.10139	4.8
159.08099	2.9
159.11681	48.2
161.08429	2.9
161.09589	10.3
162.08723	7.0
162.10339	2.4
163.07576	3.5
163.11174	68.5
164.07089	3.3
165.09079	8.9
167.06996	3.6
169.10158	3.1
172.08846	7.4
175.11165	12.8
177.09103	2.3
177.12724	27.4
179.10591	10.2
181.12199	19.5
187.11195	18.4
205.12230	33.4
205.14056	3.1
208.09219	2.5
223.05969	5.1
223.11443	10.0
223.13332	29.3
223.18036	5.0
224.09207	6.5
225.04346	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03936	3.8
55.01866	4.7
55.05504	6.4
55.41560	1.6
57.03436	7.7
57.07071	3.8
59.04996	9.6
62.55296	1.7
65.03941	2.3
67.05504	10.4
69.03425	38.9
69.07063	4.6
70.06578	2.1
71.01344	7.6
71.04978	14.3
72.17124	1.7
73.06548	6.9
79.05487	83.4
81.03412	4.5
81.07052	15.2
83.04980	8.3
85.02906	6.4
85.06498	1.9
87.78352	1.7
89.06024	9.4
91.05475	24.0
93.07047	17.4
95.04973	12.7
95.05499	2.1
95.08587	10.2
97.02894	6.0
97.06534	5.8
98.98470	3.6
99.04425	12.6
105.04513	3.6
105.07014	23.4
107.04948	100.0
107.08593	22.4
109.06507	65.5
109.10124	4.0
111.04447	3.2
111.08089	3.7
115.05473	2.1
117.05494	5.9
117.07019	10.7
117.09134	3.8
119.08573	35.1
120.08084	2.3
121.02903	2.6
121.06498	9.7
121.10127	16.3
122.06023	1.9
123.04424	9.8
123.08057	17.9
125.05963	5.5
127.22684	1.7
129.06993	8.7
130.07805	5.6
131.08556	12.5
133.06410	2.3
133.10098	10.2
135.04399	2.7
135.08049	20.8
135.11681	24.8
137.05981	7.0
137.09605	11.4
139.07527	1.9
142.07770	2.9
143.08563	3.8
144.09285	11.8
145.06488	2.4
145.10115	25.3
147.04308	1.8
147.08054	18.1
147.11734	4.2
149.02341	25.3
149.05978	3.2
149.09618	7.5
149.13297	3.0
151.07532	10.9
151.11150	3.3
153.09128	5.7
157.10139	4.8
159.08099	2.9
159.11681	48.2
161.08429	2.9
161.09589	10.3
162.08723	7.0
162.10339	2.4
163.07576	3.5
163.11174	68.5
164.07089	3.3
165.09079	8.9
167.06996	3.6
169.10158	3.1
172.08846	7.4
175.11165	12.8
177.09103	2.3
177.12724	27.4
179.10591	10.2
181.12199	19.5
187.11195	18.4
205.12230	33.4
205.14056	3.1
208.09219	2.5
223.05969	5.1
223.11443	10.0
223.13332	29.3
223.18036	5.0
224.09207	6.5
225.04346	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2057
Annotation	(3R,6E)-Nerolidol
Peak:m/z	Relative Intensity
51.31258	1.6
55.05259	2.2
55.05508	29.8
57.07077	11.2
58.20897	1.8
59.41819	1.5
65.03922	2.0
67.05505	36.6
69.06713	3.1
69.07064	44.5
69.67352	1.6
71.05000	2.0
71.08633	2.5
79.05483	12.3
81.03400	3.4
81.06566	2.8
81.07053	71.1
83.08611	19.1
85.06538	27.0
91.05474	5.8
93.07038	31.9
95.04957	6.5
95.08601	100.0
97.10151	7.9
98.97579	3.4
99.08093	23.8
105.07019	4.4
107.08582	31.9
109.06546	3.4
109.10156	56.8
111.08071	2.7
111.11708	3.7
113.09641	7.4
115.28616	2.0
116.25740	1.8
119.08605	1.8
121.10139	20.2
123.11703	40.1
125.09613	3.3
131.08614	2.3
135.11670	14.3
137.13176	2.7
149.02316	6.9
149.13240	26.8
155.34187	1.7
163.11119	2.0
163.14763	5.2
167.04683	2.1
205.19568	9.7
223.13187	9.8
223.16986	2.0
223.20546	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	(2Z,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03924	2.9
54.22227	2.1
55.05511	33.9
57.07081	13.9
65.53041	2.1
66.28795	2.4
67.05507	42.3
67.89970	2.3
69.07072	44.4
71.04971	2.3
71.08620	5.5
73.33096	2.2
79.05490	18.3
81.03415	6.4
81.07058	90.0
82.24030	2.6
83.04984	4.4
83.08277	2.0
83.08628	21.6
85.06539	29.4
89.10124	2.4
91.05460	10.4
93.07043	39.2
95.04979	16.3
95.08607	100.0
95.09221	5.3
97.10161	7.8
98.97576	7.3
98.98489	3.9
99.08092	17.5
99.97958	2.7
105.07021	7.6
107.04889	2.9
107.08596	39.2
109.06506	2.6
109.10159	65.9
111.08039	3.0
111.11693	4.2
113.09643	7.2
116.98620	4.6
119.08575	5.1
121.06564	2.6
121.10130	21.1
123.08012	3.7
123.11715	38.5
131.08546	2.9
135.11670	20.7
145.10114	3.1
149.02351	12.9
149.09642	3.5
149.13249	24.6
158.01173	2.8
159.11702	2.3
163.11154	3.2
163.14807	6.2
167.04700	5.2
187.14758	2.4
205.12253	7.3
205.19519	10.7
208.86798	2.6
223.07449	4.2
223.11200	4.6
223.13286	16.4
223.17024	3.0
223.20554	24.6
241.59962	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1644
Annotation	Tigloidine
Peak:m/z	Relative Intensity
50.03384	0.5
55.01865	3.1
55.05497	1.9
57.03411	0.4
61.95998	0.3
67.05498	2.1
68.05013	2.6
69.03406	1.2
69.05791	0.8
69.07045	1.5
70.06585	5.5
70.53150	0.7
71.04987	24.4
71.08624	22.8
71.24295	0.4
73.07394	0.4
79.05478	1.7
80.04996	1.6
81.03418	0.5
81.07037	1.7
82.06554	0.8
83.04971	1.1
83.08569	0.5
84.04482	0.6
86.06062	8.2
93.07018	1.5
94.06542	1.0
95.04923	1.1
95.08595	1.7
96.05290	0.5
96.08121	39.0
97.06521	0.6
98.06040	2.1
98.09682	30.3
99.08086	13.5
106.06523	0.8
107.08599	0.7
108.08118	10.0
109.10127	1.0
112.07580	0.9
119.04964	0.5
119.08529	0.5
120.08098	0.5
121.08904	0.6
122.06022	8.3
123.08077	0.6
124.07578	1.2
125.08355	3.4
126.09168	0.9
126.12778	2.6
136.07552	2.4
139.11162	2.3
140.07059	0.9
151.11179	1.6
154.12256	5.6
168.10175	0.6
178.15892	11.2
179.14299	1.0
183.67496	0.4
196.15094	0.8
196.16942	17.1
206.15393	18.6
224.16429	100.0
225.16777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.8
69.39571	4.5
69.39970	2.3
70.06607	1.3
72.20161	1.1
72.42610	1.0
74.93037	1.1
84.08148	1.4
85.02925	2.0
87.76266	1.2
90.81643	1.3
91.05488	3.5
94.92110	1.2
98.97603	1.9
101.00879	29.3
101.01538	1.5
119.01920	100.0
119.04886	2.7
120.02033	2.4
120.05787	1.1
121.01688	1.3
124.02477	3.7
134.99908	1.6
137.02963	24.6
140.98857	2.0
142.03497	37.0
143.03621	1.3
145.37157	1.2
147.04425	2.4
158.99924	4.4
160.04568	12.2
161.02957	19.9
175.03989	2.8
176.03975	1.2
177.00951	46.7
177.02513	2.4
178.01114	4.1
179.03992	25.8
179.05464	1.8
180.04349	1.6
182.99913	1.9
184.04387	5.8
201.00960	3.7
202.03777	4.4
202.05620	6.4
202.09299	1.4
207.06548	4.2
217.04126	4.7
219.01999	45.0
220.02164	7.2
220.04587	2.1
221.01880	1.4
225.00853	1.9
225.12387	2.7
234.00790	1.5
243.01965	12.4
243.06438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54811	3.5
56.96556	3.8
70.05092	5.6
71.72905	3.2
73.02900	7.6
74.29685	3.0
90.38731	3.0
92.42440	3.5
97.02911	6.0
98.97577	10.6
101.00875	37.2
116.98634	3.9
118.64537	4.1
119.01913	100.0
123.89589	3.3
124.02447	6.4
130.14915	3.9
134.99773	3.4
137.02966	17.3
142.03497	63.4
160.04570	12.4
161.02979	22.2
177.00899	19.6
178.01169	3.6
179.04010	41.5
184.04759	6.1
190.00592	4.9
192.55663	6.9
193.05493	9.4
199.50015	6.1
201.56235	12.3
202.05928	12.0
219.01961	18.6
220.02098	12.7
222.05383	4.1
240.06439	4.2
241.05829	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.5
57.03429	2.9
57.07099	1.5
69.03417	2.8
70.31360	1.9
70.31690	3.7
73.02906	5.2
82.99873	1.8
84.04497	1.9
85.02898	6.6
91.05458	2.4
94.93027	7.5
95.04939	2.6
97.02904	3.2
101.00880	25.6
102.02211	1.7
104.10753	4.4
104.99266	1.8
105.11068	5.5
106.11183	3.8
110.08383	3.8
119.01916	100.0
119.04903	2.4
120.01943	2.6
123.09182	8.7
124.02454	5.3
136.94014	3.1
137.02948	26.3
142.03493	54.2
147.04340	1.8
160.04543	11.8
161.02942	24.7
165.05150	3.0
176.93497	2.0
177.00906	3.7
179.02382	3.0
179.03990	39.7
179.05482	2.9
183.06282	2.0
184.04553	12.7
192.55579	4.6
201.56219	1.9
202.03793	5.2
202.05620	10.7
203.04015	2.0
207.06500	3.3
219.02029	3.8
224.98930	9.7
225.01968	5.3
225.06693	3.6
226.11816	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.15236	0.4
55.01886	1.0
55.05538	1.1
65.03922	3.0
67.05533	1.7
67.74663	0.4
69.03452	0.8
69.25951	2.6
71.04993	0.6
72.08169	0.6
76.03158	0.6
77.03962	1.0
79.05517	1.7
81.03458	0.6
81.07079	1.6
83.05012	1.4
84.04521	1.0
84.17332	0.5
85.02936	0.8
85.06564	0.8
86.09732	0.9
87.04483	0.6
89.03952	1.8
90.04774	0.6
91.05478	47.9
93.03445	0.6
93.07079	1.9
95.04964	8.6
95.08636	1.5
98.09710	0.8
98.23436	1.0
98.97639	0.5
101.03939	0.5
103.05461	3.9
105.03419	0.8
105.04558	0.9
105.07072	1.6
107.04981	2.0
107.08633	1.0
108.05753	0.7
109.06548	1.5
113.00053	1.1
114.10363	0.7
115.08700	0.7
117.03379	0.9
118.04147	5.8
118.57349	0.4
119.01961	1.6
119.04940	49.5
119.08565	1.2
120.04495	1.9
121.02908	1.7
121.06541	1.7
121.10149	1.0
123.04444	3.3
123.08089	1.3
125.06007	0.9
129.03407	1.0
129.07060	0.5
131.04961	1.3
132.02078	3.9
133.02859	1.4
133.06528	0.5
133.10168	0.6
134.03615	0.8
135.04424	2.5
135.08011	0.5
136.05229	1.9
137.05960	1.3
137.09560	0.6
139.08662	1.1
145.02841	1.0
146.03635	1.9
147.04407	41.1
147.08032	0.8
147.11696	0.7
148.04761	0.5
149.02332	6.1
149.05956	1.3
149.09683	1.1
151.07565	1.0
155.07021	0.7
157.03973	5.0
161.09583	0.9
162.03131	1.0
162.05482	2.5
163.03912	1.8
163.11189	1.0
164.04683	5.7
165.05490	0.8
165.09091	1.4
165.13911	1.2
166.12296	2.9
167.10567	0.5
174.03160	1.1
175.03902	65.1
176.04301	0.9
177.01822	2.7
179.06958	4.4
179.08205	0.5
179.10616	0.6
180.04182	0.6
181.08607	1.1
183.06509	1.2
190.04973	0.9
192.04156	21.6
193.04977	4.7
207.06496	100.0
208.05981	3.0
208.14359	1.5
225.07407	4.1
225.10915	1.8
225.12570	1.2
225.14682	1.0
225.17184	3.9
225.19357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03946	0.7
62.16434	0.7
65.03931	3.3
67.05492	1.1
69.07037	0.9
69.57222	2.8
77.03896	0.9
79.05469	1.3
81.07043	1.8
83.04998	1.4
84.04483	2.2
85.02873	0.8
86.09686	2.4
89.03910	1.3
89.34962	0.8
91.05476	47.4
93.07008	1.5
95.04436	0.7
95.04977	5.2
95.08583	1.0
99.04465	1.1
103.05473	4.2
105.07026	1.6
107.04916	1.4
108.05737	1.0
109.06488	1.6
117.03355	1.5
118.04181	5.8
119.01907	1.4
119.04942	49.2
119.08567	2.1
121.02898	1.2
121.06503	2.5
121.10109	0.9
123.04442	3.5
123.08025	0.9
129.03311	0.8
131.04797	1.2
132.02052	3.3
133.02853	1.1
133.10132	1.0
134.03564	0.9
135.04434	1.5
136.05161	2.5
137.05936	0.9
145.02879	1.6
145.06232	0.9
146.03583	2.1
147.04401	40.1
147.08067	1.8
149.02356	6.8
149.09572	1.2
151.07455	1.0
155.39212	0.9
157.03954	6.3
158.81972	0.7
162.05481	0.9
163.03931	2.2
163.11162	1.5
164.04683	4.9
165.05450	1.2
165.09077	1.3
174.03149	1.6
175.03899	72.6
176.04155	0.8
177.01785	1.7
179.06987	4.1
179.45834	0.9
181.08549	1.0
183.06485	1.4
189.12596	0.8
192.04163	22.1
193.04939	4.1
207.06502	100.0
207.13800	2.1
208.06032	0.8
225.07506	3.1
225.10980	1.6
225.16916	1.6
231.30095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05504	5.7
57.07067	4.3
59.05009	2.2
65.17226	1.6
65.91547	1.6
67.05504	25.3
70.41886	3.5
79.05507	4.1
81.07039	12.8
83.04994	3.6
85.02901	36.2
85.06520	11.0
91.05482	4.2
93.07040	9.3
95.04974	3.9
95.08604	100.0
97.06544	3.0
105.07034	5.9
107.08611	10.6
109.06514	2.5
109.10141	8.9
109.21714	1.6
109.77088	1.8
113.06028	7.9
119.08598	13.8
121.10155	7.7
123.07248	3.3
123.08069	36.1
123.11698	30.4
133.10164	2.5
135.11679	12.4
137.09631	7.1
142.77614	1.9
147.08064	3.9
147.11707	4.7
149.09627	21.1
151.07579	4.9
151.14822	5.4
153.09065	2.5
161.13258	6.9
163.11067	3.3
165.09114	23.4
165.12747	3.8
174.10384	2.4
179.14285	4.2
189.12730	9.2
207.06531	4.1
207.13803	17.7
225.14856	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.82901	1.1
55.01845	1.2
55.05505	7.0
57.03432	1.6
59.05005	2.4
67.05508	4.4
69.03424	3.9
69.07060	4.3
69.72852	4.3
70.47208	1.3
71.04984	8.6
73.06551	1.9
79.05495	6.5
81.03420	1.7
81.07041	10.1
83.04987	6.0
83.08625	2.7
85.02905	2.2
85.06551	3.0
89.22502	1.1
91.05475	13.6
93.07032	10.5
95.04973	9.6
95.08580	10.2
97.06511	3.7
99.04511	2.7
103.05498	1.5
105.07017	20.9
107.04945	2.0
107.08597	12.5
109.02888	1.2
109.06517	100.0
109.10155	8.7
111.04426	1.9
111.08097	3.6
111.73988	1.1
113.06033	1.5
117.07008	5.4
119.04945	2.2
119.08583	20.1
121.06542	2.7
121.10152	15.6
123.04436	1.8
123.08066	23.3
123.11655	2.9
125.06033	1.6
125.09624	4.2
128.06200	2.0
129.07010	3.3
130.07779	3.3
131.08553	7.6
133.06502	2.2
133.10120	6.7
135.08070	9.9
135.11728	4.4
135.49980	1.2
137.05960	3.4
137.09625	14.0
139.11319	1.5
141.06967	3.8
143.08557	4.7
145.10121	20.6
147.08047	17.3
147.11673	17.7
149.05917	1.5
149.09618	21.8
151.07549	3.9
151.11157	5.3
153.09079	2.6
156.09341	20.0
159.08034	3.1
159.11678	7.5
161.09644	4.6
161.13286	8.5
163.07579	2.2
163.11176	70.1
164.08301	2.5
165.09114	3.6
165.12772	7.3
166.38074	1.2
167.07036	1.6
167.10616	1.8
169.10083	1.8
171.11687	25.6
171.46210	1.7
174.10420	3.0
175.03906	4.8
179.14307	3.8
182.05690	1.7
183.00940	1.2
189.12729	52.6
192.93860	1.3
193.05052	1.3
207.06512	4.2
207.10168	3.4
207.13782	43.2
222.45947	1.3
225.12798	1.7
225.14751	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.11839	2.8
50.78534	2.8
55.05505	21.3
57.03429	8.7
57.07070	7.3
59.05003	4.2
67.05502	24.1
69.03436	8.2
69.07070	13.4
70.35917	6.5
71.04990	28.1
75.80168	3.1
79.05502	15.5
81.07050	44.7
83.04981	34.9
83.08626	7.2
85.02914	6.4
85.06556	6.4
87.04478	7.1
91.05480	20.8
93.07052	17.4
95.04967	53.3
95.08605	27.4
97.06514	26.6
99.04449	57.5
99.05069	4.2
100.49964	2.9
104.55424	3.1
105.07027	28.0
107.08586	41.0
109.06512	100.0
109.10163	32.8
111.05178	3.1
111.08096	14.8
117.07016	5.5
119.04941	10.6
119.08570	41.6
121.06573	3.4
121.10139	32.1
123.08060	49.1
123.11694	10.7
125.05998	7.2
125.09644	13.1
131.08577	13.3
133.10144	13.5
135.08069	8.5
135.11717	12.3
137.09583	14.7
137.13257	13.0
139.11148	5.9
143.08519	4.9
145.10118	11.4
146.10938	3.8
147.04459	8.8
147.08067	9.6
147.11681	40.0
149.09607	40.0
151.11195	5.5
153.09106	27.0
156.09355	13.7
159.11728	5.2
161.13261	31.1
163.11162	14.0
164.04768	3.7
165.12752	21.8
169.08565	8.1
171.11711	21.5
175.03920	14.4
179.14345	8.1
189.12730	34.2
192.04201	8.4
207.06551	23.3
207.13806	28.1
225.14783	55.2
232.50626	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03946	2.9
55.01876	3.7
55.05512	24.7
57.03428	5.2
57.07073	1.0
65.03928	1.2
67.05503	21.1
69.03423	6.9
69.07066	8.1
69.68784	1.9
69.69178	1.9
71.04978	3.4
79.05489	22.1
81.03415	100.0
81.07054	25.2
81.07458	0.7
83.04977	28.9
83.08119	1.8
83.08614	33.4
83.09101	1.9
85.02908	0.9
85.06548	2.0
91.05048	0.5
91.05477	26.5
93.07038	13.8
95.04970	34.4
95.08595	8.9
97.02886	3.5
97.06533	3.7
97.10155	4.3
99.08111	1.3
100.11268	1.0
101.95036	2.1
105.06350	1.5
105.07030	19.7
107.04938	6.6
107.08591	5.8
109.06502	4.3
109.10172	1.7
111.04439	2.6
111.08074	13.3
115.05408	1.3
116.06238	1.0
117.06970	1.0
119.08578	14.8
121.06490	1.0
121.10137	6.1
123.08075	2.4
125.09658	1.0
129.06995	10.7
131.08566	10.6
133.06458	4.9
133.10129	9.1
137.09645	2.4
142.07765	2.5
145.10115	1.5
147.08014	3.5
147.11681	13.9
149.09610	6.8
156.20883	0.8
157.10115	15.1
160.98633	1.5
161.13333	1.2
165.12775	2.9
175.11169	18.3
178.99690	1.1
193.12234	64.5
193.74657	1.0
207.13806	1.9
225.14775	4.5
225.19742	1.5
225.24101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05501	3.0
67.05512	12.7
69.03429	3.8
69.07074	4.0
71.04993	9.2
79.05503	8.4
81.07058	22.9
83.04973	5.3
85.02908	100.0
91.05503	8.9
93.07030	12.2
95.04967	6.9
95.08607	13.4
97.06541	5.5
99.04471	4.3
105.07021	15.4
107.04974	2.0
107.08585	11.3
109.06533	19.0
109.10182	20.0
111.04428	3.2
111.08089	5.2
115.96112	2.0
117.07059	2.8
119.04969	5.1
119.08581	14.8
121.06522	4.6
121.10150	39.2
123.08077	20.0
123.11713	80.1
125.06001	7.2
125.09607	2.8
131.08591	5.6
133.10146	5.7
135.08112	2.3
135.11752	3.8
137.05939	2.3
137.09601	16.6
137.13243	2.0
145.10115	5.7
147.04433	3.1
147.08096	5.1
147.11684	13.0
149.09630	42.6
151.07585	8.8
151.11278	2.6
156.09276	2.4
161.09615	5.8
161.13223	15.6
163.11238	6.4
164.79929	1.9
165.09105	8.4
165.12776	4.1
167.10689	2.8
169.08612	2.1
171.11703	3.7
175.03879	5.4
179.10808	2.2
179.14346	3.9
189.12729	18.5
207.06491	5.9
207.13820	32.6
225.09140	3.1
225.11041	4.5
225.14607	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.185
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
50.97377	0.4
53.03931	0.5
55.01859	0.5
55.05261	0.6
55.05512	10.2
57.03441	5.4
57.07068	1.1
58.95579	0.3
65.03929	0.7
67.05506	19.8
69.03423	1.5
69.06709	0.6
69.07069	8.2
71.04979	1.1
71.08625	0.5
79.05489	4.8
81.07057	20.5
83.08622	5.1
85.02894	1.3
85.06533	1.4
91.05484	2.4
92.07943	0.4
92.85606	0.3
93.07042	6.6
95.04948	3.8
95.08607	24.2
97.06537	3.1
97.10173	2.9
99.08083	0.9
101.95014	1.5
105.07033	2.9
107.08594	5.6
109.06534	0.9
109.10159	10.4
110.23761	0.4
111.08096	2.1
111.08732	0.3
119.08546	2.0
119.96097	0.8
121.10161	1.9
122.84325	0.4
123.08097	0.6
123.11716	2.4
125.09623	0.8
125.98154	0.3
133.10150	2.7
135.11696	0.7
137.09650	0.4
147.11702	2.1
149.13203	0.4
154.04539	0.4
160.98720	0.9
161.13251	0.4
178.99736	0.9
189.16350	1.6
196.66882	0.4
198.54196	0.3
207.17453	1.7
225.18486	100.0
226.18794	1.2
238.51115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1076
Annotation	3-hydroxy-O,5-dimethyl-L-tyrosine
Peak:m/z	Relative Intensity
53.84560	0.3
55.01855	0.3
56.70998	0.3
67.05504	0.7
69.07067	0.6
69.26713	1.4
72.08155	0.8
77.03915	0.4
79.05494	3.9
80.05021	0.9
85.06540	1.3
91.05468	1.7
93.07043	3.4
94.06559	0.9
95.04964	0.8
95.07338	1.2
96.08127	2.7
97.06518	0.9
103.05478	1.7
105.04510	0.4
105.05747	0.4
106.06599	0.8
107.07317	0.7
108.08125	1.1
110.06056	0.3
110.09681	5.0
114.10294	0.6
115.08728	0.4
118.06577	0.8
120.08100	100.0
121.08426	0.7
122.09668	5.3
131.08606	0.6
138.09140	15.1
146.79161	0.3
148.07564	8.4
149.09628	0.8
152.10707	1.4
166.08646	5.7
167.10793	0.3
167.15450	0.8
168.13853	1.8
180.10184	30.8
182.52374	0.3
191.10641	0.7
194.08124	1.3
198.11249	5.5
208.09683	9.3
209.07777	0.3
209.11781	0.5
210.16029	0.9
226.10739	20.9
227.18665	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.2
57.04565	1.4
60.05653	0.4
69.07073	0.2
69.50566	0.8
76.47436	0.2
79.05473	0.2
84.05628	100.0
85.05965	0.2
85.06462	0.2
93.07092	0.2
96.04517	0.3
96.91172	0.2
98.23426	0.4
101.23355	0.1
117.42872	0.2
120.08147	0.2
121.10143	0.3
123.11775	0.2
124.03960	1.1
125.01495	0.3
162.20764	0.2
166.08646	0.8
167.07028	0.3
168.13853	0.3
179.10689	0.2
180.14972	0.3
186.47635	0.2
208.14444	3.4
226.15500	49.0
227.15735	0.5
227.18498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
55.01873	1.0
55.05505	2.4
56.96569	1.1
65.03957	1.4
67.05500	3.3
69.03425	1.4
69.07064	1.2
70.06593	2.5
74.95898	0.9
78.04726	3.0
79.05501	2.3
85.06567	1.0
85.88686	0.8
89.03934	1.2
91.05473	6.3
93.07049	2.7
95.04988	3.4
95.08611	1.9
97.06548	1.6
100.11256	3.0
103.05484	3.1
105.04517	1.0
106.04193	3.5
107.04958	2.9
107.08597	1.6
109.06512	1.0
110.07121	1.4
111.05582	1.9
113.96431	1.8
117.03361	1.3
119.05023	1.6
119.05980	1.0
121.06497	17.5
123.04436	9.2
124.05221	3.3
125.09630	0.9
131.04977	1.0
131.97450	1.0
134.03627	4.7
135.04396	2.5
137.05962	3.5
140.04698	4.3
148.05177	2.4
149.05986	26.6
149.07199	1.4
151.03917	2.0
152.04692	2.7
153.04390	0.9
155.07028	3.0
163.03935	3.7
163.07555	3.7
165.05408	1.5
166.06230	1.4
167.07036	100.0
176.04678	2.0
177.05470	33.4
177.06984	1.9
178.06270	6.8
181.07100	0.9
181.08636	4.5
194.05818	1.7
209.08017	18.7
209.12939	2.2
227.04907	1.5
227.09044	1.8
227.10646	1.2
227.13994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03933	1.5
55.01871	6.0
55.05511	13.6
57.03434	1.7
57.07064	1.4
58.51236	0.6
67.05503	15.6
69.03410	1.5
69.07067	7.8
71.04978	3.0
73.02907	1.5
79.05494	24.4
81.03401	3.1
81.07054	21.9
83.04962	3.3
83.08620	9.8
85.02854	0.8
91.05472	7.9
93.07040	34.5
95.04971	7.2
95.08604	42.9
97.02890	4.6
97.06539	4.0
97.10146	1.2
98.22709	2.0
99.04453	4.6
100.11257	1.4
103.05434	0.8
103.90987	0.6
105.04466	0.7
105.07031	7.1
107.04948	10.7
107.08588	23.4
109.06485	1.5
109.10155	3.4
111.04443	1.3
111.08049	1.3
117.07015	9.6
119.08578	9.2
121.06499	5.9
121.10144	10.4
125.05975	3.1
130.07770	2.2
131.08560	1.1
133.10138	2.3
133.26974	0.7
135.08066	1.6
135.11693	48.1
136.12024	0.9
139.07521	2.5
142.35756	0.6
143.08542	2.1
145.10121	27.1
157.10158	0.9
163.11177	70.7
173.09616	1.0
181.12248	16.6
209.11702	0.8
227.12764	100.0
227.17789	2.6
228.13124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01856	4.2
55.05489	5.3
57.03429	2.9
57.07077	7.0
57.07325	1.1
65.03938	1.1
66.35343	1.2
66.92418	1.2
67.05161	1.7
67.05501	24.0
69.03420	1.5
69.07066	10.6
69.77238	4.4
69.87400	1.2
71.04989	18.0
72.08147	11.6
79.05045	1.7
79.05489	24.0
81.07040	5.3
83.04971	8.6
85.06537	100.0
91.05467	16.0
93.07034	19.3
95.04934	5.3
97.06535	6.8
97.07639	2.4
98.06049	2.5
98.09647	1.4
98.23419	1.4
99.08064	4.0
105.07022	15.9
107.04931	10.0
107.08585	25.7
109.06509	4.5
111.04426	12.2
114.10272	10.5
115.08671	2.5
117.06997	5.1
119.08562	16.1
121.06505	11.9
121.10131	15.5
123.04427	1.3
123.08057	2.1
125.05962	5.3
126.09135	6.3
129.06990	5.9
130.07771	2.0
131.08557	67.0
133.10051	1.5
135.08034	2.9
135.11652	7.0
137.05974	1.9
137.09619	9.6
139.07610	1.5
143.07037	1.6
143.08556	1.7
145.10121	32.6
147.08049	5.6
147.11588	1.4
149.05971	2.2
149.09605	61.3
153.05431	3.6
155.07045	2.0
163.07516	3.0
163.11165	21.8
165.09102	11.6
167.07054	2.8
167.09271	1.7
167.10666	29.9
167.15431	11.0
168.13831	29.6
173.09589	6.6
178.97188	1.5
191.10651	67.2
209.11714	53.6
210.15996	15.1
227.12764	23.1
227.18628	48.3
245.54407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
52.07875	1.9
53.03940	3.0
55.01866	33.4
55.05515	21.4
57.03432	6.0
57.07062	7.4
58.30999	1.9
63.45671	1.9
65.03918	2.1
65.24133	2.0
67.05215	2.3
67.05510	29.8
68.99789	2.1
69.03416	7.7
69.07066	26.1
71.04987	9.9
73.02843	1.9
77.03900	2.8
79.05496	39.2
81.03411	2.4
81.06627	2.8
81.07059	34.0
83.04950	7.4
83.08616	20.4
85.02847	1.8
85.06541	15.3
85.10136	2.2
91.05492	20.4
93.07050	62.4
95.04967	19.2
95.08612	63.7
97.02935	2.7
97.06532	18.4
97.10144	2.7
99.04483	10.2
100.11261	16.7
101.02368	2.2
101.05968	2.3
105.07053	16.3
107.04997	10.6
107.08595	70.2
109.06541	17.7
109.10153	5.4
111.04466	3.7
111.08082	32.3
111.11712	5.4
113.06002	4.6
117.07015	7.9
119.08580	17.1
121.06506	11.5
121.10152	43.5
123.08082	12.5
125.05990	5.1
125.09624	7.8
130.07693	2.1
131.08542	4.7
131.97449	2.1
133.10150	5.1
134.54750	2.3
135.08073	5.2
135.11699	55.1
137.05991	3.3
139.07541	5.0
139.11162	11.2
141.13788	4.0
143.08559	4.7
145.10149	34.4
149.05992	2.3
149.09569	6.6
151.07529	15.0
153.09073	13.3
153.12737	2.9
157.10138	3.5
163.11186	87.6
167.07025	8.5
167.10683	10.4
168.13823	3.4
169.08606	100.0
171.11720	3.0
171.24886	2.5
173.09563	5.2
181.12245	23.6
185.11688	8.2
185.13203	3.2
191.10600	7.1
195.10120	14.4
199.21770	4.9
209.11736	13.3
209.20113	4.6
227.10794	3.8
227.12743	82.2
227.17653	14.1
227.21149	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
52.15113	0.6
53.71393	0.6
55.01870	31.0
55.05511	3.9
57.03423	1.9
57.07072	2.5
67.05502	11.0
69.03436	4.5
69.06712	1.1
69.07069	17.1
70.35644	1.6
71.05000	3.7
79.05495	9.3
81.03404	0.8
81.07055	11.2
83.04975	2.1
83.08624	1.3
85.06541	13.5
91.05484	5.1
92.93325	0.6
93.07039	15.0
95.04977	4.8
95.08019	1.2
95.08607	21.2
97.06535	17.4
98.22828	1.1
99.04451	5.3
100.11245	2.8
105.07030	13.1
107.04937	2.8
107.08590	37.1
109.06516	8.5
109.10229	1.0
111.08080	1.9
113.06003	6.2
117.06988	1.7
119.06033	1.1
119.08562	2.7
121.06517	6.6
121.10130	9.2
123.07221	0.5
123.08060	11.4
125.05988	1.1
125.09607	1.2
130.07765	1.1
131.08582	1.8
133.06488	0.8
133.10117	0.7
135.08040	1.0
135.11688	6.7
139.11151	1.8
145.10117	7.5
147.11702	1.2
149.09596	2.7
151.07536	10.9
153.12724	1.9
157.08574	0.7
163.11183	22.8
167.07016	1.6
167.10666	6.0
168.13820	1.3
169.08595	100.0
173.09605	2.7
180.98024	0.8
181.12222	12.0
182.15382	1.8
185.11774	1.4
191.10678	8.6
195.36469	0.8
195.68167	0.7
199.21698	0.9
209.11745	6.4
210.14845	1.4
227.12747	8.2
227.18623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03947	1.7
53.14657	0.5
55.01871	5.5
55.05511	13.6
57.03428	2.5
57.07069	1.0
65.03944	0.8
67.05502	16.3
69.03423	1.9
69.07068	7.1
70.26177	1.3
71.04980	2.5
73.02906	1.7
77.03920	1.6
79.05492	25.9
81.03416	2.7
81.07054	19.6
83.01322	0.7
83.04983	3.8
83.08617	8.9
91.05478	6.5
93.03395	0.7
93.07043	35.6
94.96648	0.6
95.04975	6.7
95.08602	41.7
97.02874	3.9
97.06519	3.6
97.10165	0.8
99.04449	4.8
103.05437	0.8
105.04520	0.7
105.07024	6.7
107.04955	11.2
107.08591	27.5
109.05847	0.5
109.06498	2.7
109.10127	3.0
111.04442	1.6
111.08070	1.6
113.06011	0.7
117.07027	8.4
119.08572	9.8
121.06508	5.7
121.10143	12.7
121.60023	0.6
123.08105	0.9
125.05973	2.8
129.06984	0.6
130.07771	1.6
131.08527	0.6
133.10130	1.7
135.08057	1.9
135.11688	52.0
136.11920	0.8
139.07530	2.1
143.08545	0.9
145.10123	29.2
153.12720	1.0
163.11176	73.1
164.11475	0.6
167.06992	1.1
173.09508	0.9
177.30716	0.5
181.12230	17.7
209.11758	2.3
227.12764	100.0
228.13103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.2
55.05489	5.3
57.03429	2.9
57.07077	7.0
57.07325	1.1
65.03938	1.1
66.35343	1.2
66.92418	1.2
67.05161	1.7
67.05501	24.0
69.03420	1.5
69.07066	10.6
69.77238	4.4
69.87400	1.2
71.04989	18.0
72.08147	11.6
79.05045	1.7
79.05489	24.0
81.07040	5.3
83.04971	8.6
85.06537	100.0
91.05467	16.0
93.07034	19.3
95.04934	5.3
97.06535	6.8
97.07639	2.4
98.06049	2.5
98.09647	1.4
98.23419	1.4
99.08064	4.0
105.07022	15.9
107.04931	10.0
107.08585	25.7
109.06509	4.5
111.04426	12.2
114.10272	10.5
115.08671	2.5
117.06997	5.1
119.08562	16.1
121.06505	11.9
121.10131	15.5
123.04427	1.3
123.08057	2.1
125.05962	5.3
126.09135	6.3
129.06990	5.9
130.07771	2.0
131.08557	67.0
133.10051	1.5
135.08034	2.9
135.11652	7.0
137.05974	1.9
137.09619	9.6
139.07610	1.5
143.07037	1.6
143.08556	1.7
145.10121	32.6
147.08049	5.6
147.11588	1.4
149.05971	2.2
149.09605	61.3
153.05431	3.6
155.07045	2.0
163.07516	3.0
163.11165	21.8
165.09102	11.6
167.07054	2.8
167.09271	1.7
167.10666	29.9
167.15431	11.0
168.13831	29.6
173.09589	6.6
178.97188	1.5
191.10651	67.2
209.11714	53.6
210.15996	15.1
227.12764	23.1
227.18628	48.3
245.54407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.54815	1.6
55.01864	2.9
55.05291	1.8
55.05510	17.7
57.03442	12.4
57.07067	2.5
67.05502	84.7
69.07068	27.2
69.65959	5.9
71.04982	8.3
79.05486	42.7
81.03415	2.9
81.07053	100.0
83.04974	9.7
83.08614	17.8
85.06535	4.9
87.70090	1.4
91.05470	20.8
93.07041	67.2
95.04963	8.8
95.08599	32.3
97.06525	13.1
97.10193	2.8
98.23497	2.0
99.08092	3.1
100.11257	4.2
105.04524	1.7
105.07050	8.0
107.08588	30.6
109.06495	2.0
109.10148	3.6
111.08059	10.1
117.06999	12.0
119.08561	2.7
121.06505	2.4
121.10132	18.6
123.11694	3.3
125.09624	1.6
131.08548	13.5
133.10115	12.6
135.08070	3.5
135.11665	16.3
145.10152	1.9
149.13248	54.3
159.11673	31.2
177.12761	14.3
195.13820	22.3
227.18015	3.6
227.21941	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	3.0
55.01859	2.7
55.05509	17.8
57.03435	12.7
57.07060	2.8
65.03933	2.1
66.04763	1.3
67.05501	76.4
69.03419	1.4
69.07065	23.2
71.04987	8.1
73.02962	1.4
77.03912	2.4
79.05490	37.5
81.03415	2.7
81.07053	100.0
83.04983	11.2
83.08611	18.3
85.06541	7.7
91.05475	23.6
93.07040	72.9
95.04984	8.7
95.08601	33.4
97.06525	15.1
97.10146	2.8
99.08088	4.6
100.11249	6.5
105.07027	8.7
107.04951	2.1
107.08584	31.5
109.06503	3.2
109.10147	5.7
111.08074	10.5
113.09657	2.3
114.34455	1.4
117.07010	13.6
119.08558	3.8
121.06510	8.5
121.10148	18.1
123.11707	2.8
125.09639	1.9
131.08556	12.5
133.10121	16.2
135.11676	21.9
139.11122	1.4
145.10159	3.6
149.13246	63.4
159.11688	26.9
163.11127	8.1
167.14288	1.4
177.12733	13.6
195.13815	21.9
227.10640	2.1
227.12733	13.4
227.18030	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
55.05510	13.9
57.03432	9.7
57.07078	2.8
65.66814	1.6
67.05505	79.8
69.03445	2.8
69.07072	20.3
69.26287	8.9
71.05001	10.0
79.05488	33.9
81.03413	2.3
81.07059	100.0
83.04985	6.3
83.08626	18.4
85.06572	6.2
91.05480	19.6
93.07044	61.4
95.04967	5.9
95.08612	25.8
97.06531	12.5
99.08109	3.8
100.11266	5.4
105.04552	3.3
105.07035	9.0
107.08604	33.1
109.06535	4.2
109.10177	3.7
111.08097	10.0
117.07027	10.3
119.08611	4.1
121.06519	3.3
121.10143	20.0
123.11684	3.0
125.09647	2.1
131.08586	12.7
133.10152	14.7
135.08069	1.8
135.11707	17.9
141.49307	1.8
149.09668	2.1
149.13255	59.3
158.40108	1.8
159.11716	31.1
171.11780	2.5
177.12759	13.3
195.13797	19.2
227.17874	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.03949	1.1
55.01862	0.6
55.05514	4.0
55.39718	0.4
56.02659	0.9
56.02898	0.3
59.05005	0.5
65.03942	0.8
67.05508	18.3
69.07069	3.2
70.58329	0.5
71.04996	100.0
79.05494	8.2
81.07059	31.0
83.05000	0.8
83.08633	2.1
85.06551	2.7
85.13480	0.3
91.05488	4.9
93.07053	13.0
95.04987	1.3
95.08611	14.3
95.25867	0.4
97.06521	3.3
97.10189	0.4
98.22690	0.4
98.23257	0.7
99.04514	0.5
99.08120	1.2
100.11273	1.3
105.07014	2.6
107.08596	5.2
108.38647	0.4
109.06523	1.2
109.10178	2.1
111.08103	2.3
111.08738	0.3
111.60955	0.4
113.03880	0.5
113.06028	0.8
117.07042	3.6
119.08588	1.0
121.06523	0.5
121.10168	1.9
123.08094	0.4
123.11728	0.8
125.09674	0.7
128.92200	0.4
129.07030	0.7
131.07043	0.4
131.08589	3.1
133.10135	4.5
135.08067	0.8
135.11694	10.2
141.03362	2.2
143.08667	0.5
145.10318	0.5
149.13264	5.8
155.14238	0.4
157.10179	0.4
159.11699	8.1
171.04471	1.4
171.11737	0.4
175.14886	0.9
177.12804	3.3
191.14384	0.5
193.15988	0.4
195.13860	2.1
199.03961	1.5
209.15338	2.1
227.03400	7.1
227.14607	0.7
227.18005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01853	1.5
55.05500	4.3
56.02649	1.2
57.07068	1.0
67.05505	22.3
69.07060	6.3
69.54012	3.4
71.04993	100.0
79.05484	8.4
81.07056	29.7
83.04996	1.3
83.08627	5.7
85.06516	2.2
89.91625	0.9
91.05475	4.8
93.07041	13.7
95.04958	2.8
95.08607	17.5
97.06517	3.0
97.10189	2.0
98.98389	0.9
99.08062	1.1
100.11260	3.9
105.07013	3.4
107.08598	6.9
109.06539	1.3
109.10158	4.7
111.08086	2.2
113.06055	1.2
117.07007	2.8
119.08574	1.4
121.06516	1.3
121.10150	3.0
125.09628	1.3
131.08536	4.4
133.10130	5.1
135.11678	9.7
138.52864	0.9
143.08572	1.2
147.11655	1.1
149.09615	1.0
149.13261	6.9
157.10049	1.1
159.11693	7.6
169.66158	1.1
175.14845	1.3
177.12737	3.4
181.12227	1.0
195.13802	2.0
209.15340	2.3
210.18546	1.3
226.25221	4.4
227.17757	4.0
227.25632	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05508	6.0
57.46512	0.7
57.99284	0.6
60.05650	0.6
67.32027	0.8
69.07061	12.8
69.50903	2.9
70.06578	1.0
72.08154	27.8
81.07043	0.9
82.06593	0.7
83.04975	1.0
83.08607	2.6
84.04495	2.3
87.64382	0.7
97.06517	2.5
97.07635	3.6
98.06081	3.7
98.09690	1.9
111.40673	0.6
114.09143	1.6
114.10287	19.0
115.08688	6.3
126.09151	11.9
131.12904	1.1
135.28946	0.7
140.08176	3.8
167.15434	24.2
168.13832	68.7
185.16475	2.9
186.06056	0.6
193.13387	1.0
210.16006	33.4
227.18651	100.0
228.19000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93703	0.5
55.01871	6.7
55.05505	5.2
57.10126	0.5
58.23238	0.5
60.05635	1.6
69.07066	11.5
69.50271	1.0
69.50665	1.5
70.06588	3.3
71.08646	0.6
72.08151	26.6
79.05477	0.5
82.06570	0.6
82.90414	0.5
83.04967	1.2
83.08613	1.9
84.04497	1.7
85.06549	0.5
85.82853	0.5
93.07071	0.7
97.06530	21.2
97.07555	3.4
98.06061	3.2
98.09671	1.3
100.11247	1.5
107.08565	1.1
108.30395	0.5
109.06457	0.6
111.04507	0.6
114.09133	1.7
114.10286	22.3
115.08688	9.9
125.09571	0.6
126.09148	12.5
131.12907	1.6
140.08174	1.9
145.10187	0.7
149.09589	1.3
155.15437	3.7
167.07166	0.6
167.10646	0.5
167.15431	28.4
168.13829	66.1
169.14162	0.6
185.04317	0.5
185.16473	2.7
189.18529	0.5
191.10567	0.6
209.08023	0.7
209.11774	0.6
210.16016	35.8
212.51918	0.6
227.18651	100.0
228.18954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0497
Annotation	2,7-Dihydroxyxanthone
Peak:m/z	Relative Intensity
55.05502	2.7
57.03434	0.9
57.07063	2.4
67.05508	6.5
69.07047	2.4
69.57169	1.6
69.57574	2.5
70.06578	5.0
81.03413	1.5
81.07066	4.6
83.08593	2.1
86.09721	1.0
88.07621	3.9
91.05470	1.7
93.07040	1.8
95.04943	0.8
95.08595	3.2
97.82401	0.8
99.08095	1.3
102.09180	3.4
105.07029	2.4
107.08573	1.5
109.10139	7.0
115.05458	27.2
116.07062	1.0
117.07030	3.7
119.08571	1.8
121.10112	0.9
129.06990	1.6
131.08548	1.4
133.10129	1.4
143.04929	13.7
145.06503	1.0
145.10208	1.0
146.91818	1.6
147.11639	1.1
151.08681	1.2
161.06097	1.1
164.92900	1.8
169.10133	1.0
173.05966	16.9
173.11778	1.5
185.05977	35.7
193.12199	1.0
196.89247	0.8
199.03870	1.7
212.17401	1.1
227.03363	2.7
228.23209	29.9
229.04950	100.0
229.12186	1.8
229.14009	1.6
229.15878	3.1
229.19698	3.1
229.23579	10.4
230.05240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01870	2.4
55.05514	4.1
55.05741	0.7
57.03436	1.1
59.04979	0.7
64.37896	0.7
65.03924	1.7
67.05506	5.8
71.04973	0.9
72.08144	0.7
77.03934	1.6
79.05491	13.4
81.03418	2.4
81.07055	9.3
91.05479	22.9
93.07041	11.0
95.04981	5.0
95.08614	0.7
98.22714	2.0
103.05452	6.0
105.04500	0.9
105.06347	1.6
105.07030	27.2
107.04953	2.6
107.08576	3.3
109.02863	1.7
109.06538	1.2
109.10159	0.8
115.05427	6.6
116.06219	1.7
117.07015	9.6
119.04927	1.6
119.08584	7.3
121.06504	3.3
123.04430	1.0
128.05313	1.3
128.06221	17.1
129.07005	28.5
130.07744	1.3
131.04912	2.3
131.07648	1.3
131.08574	17.3
133.06500	3.8
133.10179	1.1
135.04451	2.4
137.05940	1.0
141.06990	26.2
142.07774	23.2
143.08568	26.7
144.09309	4.5
145.06458	4.8
145.10136	6.6
147.08055	1.7
149.05991	3.8
151.07466	0.9
152.06187	1.4
153.06987	20.0
154.07755	5.8
155.05998	2.2
155.08553	55.3
156.09331	4.6
157.06477	2.0
157.10127	41.9
158.07266	0.9
159.08057	5.4
159.11678	3.7
161.05925	2.4
163.07483	0.9
165.06969	3.3
166.07762	4.3
167.08583	8.8
168.09341	41.0
169.06488	4.8
169.10138	8.6
170.10893	0.9
170.15347	1.5
171.08073	3.2
173.05972	4.3
173.09550	4.5
173.13210	3.5
175.07570	1.6
175.11192	1.9
178.07755	7.8
181.06595	3.8
181.10117	14.1
183.08240	4.4
183.11685	77.3
184.12250	1.5
185.09642	1.4
185.13289	4.3
187.07562	6.4
187.11165	2.9
189.59036	0.9
193.08459	1.2
193.10144	18.9
195.08000	1.5
196.08879	5.5
201.09103	11.5
201.12729	7.9
211.09126	1.4
211.11172	21.5
212.17615	1.0
229.12233	100.0
229.20129	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01877	6.4
55.05511	7.1
57.03423	2.6
67.05156	1.6
67.05500	20.3
69.07064	8.8
69.29302	4.0
71.04981	2.6
79.05487	8.0
80.50485	0.9
81.07056	46.6
83.04973	3.3
83.08615	4.6
85.06540	2.3
85.20341	0.8
91.04943	1.4
91.05480	21.3
93.07049	7.5
95.04956	4.5
95.08596	9.9
97.06525	9.2
98.22781	1.6
99.08080	1.8
101.05994	0.9
105.07028	27.8
105.07736	1.4
107.08591	9.3
109.06496	7.4
109.10138	3.0
111.04476	1.2
111.08067	1.4
113.05988	1.7
115.05451	1.4
117.06975	1.7
118.62140	0.8
119.08574	24.3
121.10142	15.7
123.08043	1.6
123.11707	22.2
127.07516	1.8
129.06993	7.5
131.08575	4.4
133.10086	6.2
137.09631	1.2
137.13246	1.8
142.07764	1.9
145.10114	0.8
147.11682	80.1
149.09575	3.2
157.10132	17.5
165.12753	38.4
175.11186	22.3
183.13794	2.1
193.12231	7.0
211.13245	3.1
226.14478	0.8
229.14330	100.0
230.14592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.05505	2.3
57.03432	3.1
57.07075	0.4
59.04994	1.2
60.58381	0.3
67.05505	22.0
69.03434	0.7
69.07067	8.2
70.06633	0.4
70.27412	0.7
70.27740	0.4
71.04990	3.5
72.08134	0.6
75.04455	1.1
79.05492	1.0
81.07053	5.5
83.04976	1.0
83.08604	1.2
85.02901	0.6
85.06532	1.2
91.05463	1.8
93.07032	2.9
95.04974	6.6
95.08609	5.9
97.06525	0.6
99.08057	0.4
99.09782	0.4
101.06022	0.4
103.03925	0.4
105.07039	2.3
107.08576	1.6
109.10155	100.0
110.10456	0.4
111.04425	0.5
111.08100	0.6
114.10278	0.4
115.05461	0.6
117.06988	0.3
117.57214	0.4
119.08572	5.0
121.06493	1.8
123.11706	11.0
125.07210	0.3
127.11191	34.6
131.08553	0.7
133.10118	5.9
135.11690	0.6
137.09610	8.5
137.99748	0.3
138.36760	0.4
139.07545	0.9
143.04900	0.5
143.08556	1.6
145.06432	0.4
146.91829	0.4
151.11209	2.2
155.08650	0.4
155.10660	5.4
159.08192	0.4
161.09619	5.4
169.12288	1.4
170.15393	0.4
173.11720	10.2
179.10654	12.5
185.06000	1.0
188.10265	0.4
197.11745	9.3
211.07373	0.4
211.13254	2.2
211.16951	0.4
212.17609	0.5
228.23268	0.6
229.05034	2.0
229.12216	0.6
229.14207	5.8
229.17889	0.7
229.20096	1.3
229.23555	0.5
230.19057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03925	3.9
55.05512	40.1
56.05834	5.9
57.03432	10.4
57.07053	3.3
67.05501	71.6
68.05824	11.0
69.03403	5.3
69.07072	18.4
70.06583	10.5
70.27926	10.1
71.04987	8.7
79.05477	25.2
81.03416	63.5
81.07055	62.9
82.07388	8.1
83.04973	28.2
83.08186	4.7
83.08625	48.3
84.01290	3.4
84.08948	8.7
85.02891	12.2
85.06526	6.3
91.05479	53.8
93.07014	18.5
95.04960	30.6
95.08594	43.5
96.08949	25.2
97.06506	10.7
97.10154	10.5
99.08073	7.6
105.07037	24.9
107.04957	5.5
107.08597	8.4
109.06578	3.7
109.10160	53.1
110.10497	17.4
111.08074	13.7
115.05450	5.9
117.07041	8.7
119.08562	25.3
121.10117	9.2
123.11749	3.7
129.07013	12.8
131.08588	19.5
131.50571	3.6
131.72813	3.8
133.06453	4.1
133.10120	20.3
134.10483	6.4
134.97217	4.2
145.10115	12.7
146.91820	11.6
147.08064	4.3
147.11693	18.9
149.09666	10.1
151.08704	4.2
151.11232	4.3
157.10101	19.1
159.11717	5.0
165.12697	4.5
169.92651	5.2
170.15370	5.5
173.11751	9.0
175.11162	19.3
176.15138	21.8
178.88329	4.0
183.11803	6.0
193.12241	86.7
194.16183	10.8
201.16248	4.2
211.13274	100.0
211.14767	4.5
212.06491	14.2
212.17297	6.1
228.23119	6.0
229.04826	5.0
229.06798	9.0
229.12090	5.7
229.13982	8.4
229.15857	20.2
229.19760	26.4
229.22997	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01856	0.4
56.05029	0.4
56.96287	0.3
56.96561	5.0
57.03432	0.5
58.06600	4.7
59.07381	0.9
60.07871	0.4
60.08162	7.2
64.27769	0.2
67.05505	0.3
68.05025	1.1
69.03413	0.3
70.06590	29.1
70.63155	0.3
72.08163	0.8
78.97036	0.2
81.03366	0.3
84.04488	0.3
84.08139	5.6
86.09708	1.4
94.30740	0.2
96.08133	1.3
97.02886	0.3
98.06042	0.7
98.97581	7.4
99.00806	0.2
101.00880	0.9
108.82084	0.2
109.28671	0.3
111.09187	0.2
114.04037	0.3
114.05531	3.6
114.09169	1.8
116.07077	1.2
116.98611	4.3
119.01920	3.0
124.07590	2.9
126.02263	0.3
126.09134	0.7
131.01921	0.3
134.02940	0.3
134.99651	2.1
137.02907	0.6
140.03798	0.5
142.08632	29.9
145.03444	0.3
152.88699	0.3
157.03557	0.3
158.04880	1.0
160.06439	1.1
161.02878	0.3
170.04919	0.4
170.08127	1.6
171.03368	0.3
177.00935	0.8
179.70779	0.3
181.00606	0.3
181.09714	0.3
183.11375	0.4
184.04582	1.0
184.08156	0.3
187.00958	0.4
188.05945	0.7
189.04352	0.8
203.02475	0.4
205.98824	0.3
206.07030	2.6
207.05412	0.5
211.09270	0.7
212.07750	1.6
223.45412	0.3
224.08037	3.0
229.10782	2.6
229.15463	100.0
230.06921	1.1
230.08954	1.6
230.13841	2.4
230.15878	1.0
247.01462	1.6
248.05887	0.4
248.08096	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52519	0.6
58.06384	0.4
58.06596	5.0
59.07384	1.5
59.39161	0.5
60.08160	7.5
60.39631	0.5
60.57898	0.5
62.05676	0.5
64.44835	0.5
65.53916	0.4
66.55774	0.5
67.05481	0.5
68.05014	1.4
70.06590	33.1
72.08151	1.0
81.07042	1.1
84.04526	0.8
84.08135	2.5
85.02909	0.5
96.08115	1.1
99.00791	1.1
101.00874	1.5
114.05515	4.2
114.09172	1.6
116.07088	1.0
117.73451	0.5
118.03513	1.1
118.08678	1.0
119.01919	5.0
124.07583	2.6
126.09143	0.6
137.02945	1.4
142.03563	0.8
142.08632	31.3
151.07536	1.2
161.04889	0.5
167.69936	0.5
170.08124	2.0
171.09685	0.5
184.04559	1.4
187.00873	1.5
202.05560	0.7
229.15463	100.0
230.08551	0.5
230.15825	0.9
247.01288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
59.76841	0.7
60.05618	1.9
60.58455	0.6
64.70498	0.7
70.60428	0.5
70.69923	1.1
71.08270	1.1
71.08633	15.9
72.08154	41.4
73.04035	1.5
90.74029	0.6
97.07654	8.2
98.06056	1.2
99.07445	1.3
99.08094	25.1
102.39227	0.7
106.60870	0.6
114.10292	45.8
115.08692	9.3
116.10714	4.6
128.10706	6.1
131.12872	0.6
160.49786	0.6
163.16212	0.7
169.15547	1.0
169.17003	26.6
170.15396	75.6
171.15771	0.9
187.18158	3.5
201.71841	0.6
210.23549	0.7
212.17574	34.4
229.20226	100.0
230.20662	0.8
232.93770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
60.05634	1.2
63.04141	0.4
71.08627	10.6
72.08153	30.4
73.04021	1.0
75.48659	0.4
77.62489	0.5
95.73405	0.4
97.07648	6.2
98.06029	1.4
99.08087	16.3
114.10286	31.7
115.08689	9.3
116.10719	4.3
124.41284	0.5
128.10712	4.1
131.12941	0.6
133.45702	0.6
144.83124	0.4
169.16997	19.4
170.15392	56.2
171.15826	0.7
187.18079	3.1
212.17567	28.3
229.20221	100.0
230.20528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21847	0.2
55.05507	2.9
56.05039	0.6
56.96599	0.3
57.03421	0.3
58.06595	0.6
67.05496	0.7
69.07056	0.7
70.06590	15.3
70.57809	0.3
70.58120	0.2
71.04988	0.3
71.08618	0.5
72.08152	0.7
74.06063	0.5
79.05494	0.6
81.07052	5.9
83.08618	3.5
84.04501	0.5
84.08090	0.3
86.06067	0.3
86.09718	1.4
91.05450	0.4
93.06992	0.3
95.04945	0.2
95.08591	0.4
97.06521	0.6
97.07642	0.3
98.09684	1.0
99.08092	5.1
100.11250	2.8
105.07023	0.4
110.09615	0.3
112.11226	3.7
114.12799	6.2
116.07106	0.7
116.10726	0.3
119.01971	0.2
123.08064	0.3
126.12762	0.7
130.12276	0.3
131.15448	0.5
133.10028	0.2
141.13879	0.3
143.15419	0.3
147.11632	0.2
154.14665	2.0
154.15794	0.4
155.15422	11.6
156.13831	0.3
168.17487	0.6
182.19200	0.5
182.20894	0.2
211.14986	0.8
211.21683	2.9
212.09195	0.5
229.22736	100.0
230.23062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16163	0.3
54.41927	0.3
55.05501	1.4
58.06594	1.5
60.04520	0.5
66.53942	0.2
67.05488	0.7
68.04975	0.3
69.07056	0.8
70.06590	17.0
70.12489	0.6
70.12839	0.4
71.08609	0.5
72.04488	0.3
72.08155	1.5
74.06060	1.3
79.05481	0.8
81.03434	0.4
81.06625	0.4
81.07056	5.4
83.08607	0.7
84.08122	0.7
84.99427	0.3
85.06525	0.3
86.09694	1.5
88.07629	0.4
91.05463	0.3
95.04957	0.3
95.08619	0.6
97.06521	0.8
97.07640	0.9
98.09675	1.5
99.08092	5.6
100.11259	1.5
105.07014	0.4
112.11237	3.5
114.12813	3.0
116.07104	1.1
116.10725	0.5
119.08530	0.4
126.12780	0.8
128.10698	0.5
130.12257	0.4
131.15388	0.6
154.14668	2.5
155.15422	9.2
168.17447	0.6
180.17424	0.3
192.87025	0.3
201.21089	0.3
204.26749	0.3
205.98744	0.4
211.15187	0.7
211.21719	2.3
229.15598	2.0
229.22740	100.0
230.23080	1.2
231.46799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73401	0.4
56.96570	28.6
57.03432	0.8
60.08135	0.3
66.92410	0.3
68.05006	0.3
70.06594	1.3
70.18961	0.7
71.95250	0.8
72.96033	0.8
74.97610	0.4
83.97643	0.8
86.09718	3.6
97.99203	0.3
98.97588	100.0
109.00327	0.3
110.97541	0.6
114.05522	1.3
116.00230	1.6
116.98627	45.1
124.00726	0.7
126.02299	1.8
128.98650	0.5
134.01244	1.3
134.99664	10.4
140.00195	0.5
140.03825	2.0
142.05420	3.5
142.08627	0.9
143.08994	0.5
144.03328	0.5
153.00739	0.6
153.02217	0.5
158.04918	3.4
160.06465	5.0
170.04912	2.2
171.03279	3.2
176.05917	0.5
178.07567	1.3
182.77438	0.3
188.05975	2.7
189.04353	10.2
192.01718	0.3
202.07552	1.0
206.07014	7.2
207.05447	3.9
207.07314	0.6
212.05974	1.2
216.55756	0.4
224.06050	0.6
224.08087	7.4
229.15471	2.1
230.07018	13.2
230.13858	11.7
230.15868	1.8
231.05443	1.7
248.08089	19.6
248.65553	0.3
249.06371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1753
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.01875	5.8
55.05515	43.2
56.05039	23.1
57.03415	1.9
63.32855	1.9
67.05513	40.1
69.03426	20.7
69.07081	10.5
70.06596	8.7
70.82951	2.7
71.04985	3.0
71.08659	1.8
72.08162	23.0
73.08499	10.0
79.05502	27.8
81.07063	62.3
81.94825	1.8
82.06590	1.9
82.07392	10.0
83.04997	3.7
83.08622	14.2
84.57309	1.8
85.02910	1.8
91.05486	8.8
93.07048	34.4
95.04935	2.6
95.08603	16.6
96.08140	4.1
97.06556	6.1
97.07664	1.9
97.10175	29.7
98.08024	1.8
99.08096	5.7
99.28767	2.0
100.08441	4.5
105.07020	5.0
107.08600	31.1
109.10162	14.3
110.09699	2.4
111.08125	3.6
114.10269	14.7
115.08698	3.1
115.10641	12.7
116.09039	4.8
117.07015	5.7
119.08586	2.3
121.10166	5.3
125.09653	18.0
128.10692	3.4
129.11072	2.6
130.08676	5.1
131.08540	3.7
133.10129	6.1
135.08078	5.7
135.11668	12.5
147.11679	2.4
149.13274	22.6
153.09084	3.6
159.11700	9.0
167.14247	3.4
168.13882	8.6
170.15407	6.7
170.17413	14.1
171.10197	5.0
171.15768	42.6
177.12796	10.6
186.14920	14.0
189.11258	4.1
189.12764	3.7
194.15417	39.6
195.13824	12.4
212.16455	100.0
213.14938	10.1
213.17961	26.0
230.15685	3.2
230.17616	4.6
230.20593	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82277	0.7
53.03938	0.7
55.05284	0.9
55.05516	7.6
56.01403	0.9
67.05506	1.0
69.03435	2.0
69.37058	0.5
69.96758	1.4
69.97120	1.5
70.06582	1.9
71.08638	27.7
72.08157	14.1
73.08489	1.2
81.03413	2.9
81.07066	0.8
84.78736	0.7
85.02927	1.3
97.02878	0.8
97.07640	0.9
97.30568	0.6
98.06062	50.8
98.23508	0.7
99.08099	22.1
100.08453	1.1
110.10448	1.0
114.10279	3.2
115.08697	100.0
115.67385	0.7
116.07104	1.8
116.09040	1.0
116.10732	1.9
127.03890	0.9
128.10696	0.7
130.32541	0.6
170.15417	4.4
170.17351	1.9
171.04469	0.7
171.15749	7.1
213.15996	79.0
213.17827	5.0
214.16339	0.7
230.20546	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	2,3-Dihydroxy-2'-carboxybiphenyl
Peak:m/z	Relative Intensity
50.36830	0.7
52.72174	0.8
54.22502	0.8
55.01865	0.9
55.05508	1.3
58.84023	0.8
67.05492	1.4
69.03423	3.2
69.07053	1.6
79.05473	1.9
81.03423	1.2
81.07052	2.8
83.08623	1.7
85.02910	0.9
86.09722	0.9
91.05474	4.1
93.07034	1.8
95.08591	1.5
97.02919	1.1
98.23504	1.9
103.05475	1.5
105.07027	2.6
107.08557	1.4
109.02876	1.0
115.05453	5.2
117.07016	23.5
119.08585	9.6
127.03909	1.5
127.05431	2.9
128.06218	20.8
129.07007	100.0
130.07353	1.0
131.08577	2.9
133.10187	1.3
135.04420	2.0
143.04921	2.6
143.08600	1.8
145.06497	12.8
145.10114	5.6
147.11691	1.0
155.01001	0.9
155.04906	8.3
155.06056	5.1
157.06487	42.5
157.10129	2.5
159.04346	1.0
159.11703	1.0
171.04439	2.2
171.11717	2.6
172.05179	3.2
173.05997	10.9
175.07504	1.1
183.04393	4.1
185.05980	82.7
186.06689	4.2
187.07542	23.0
189.05511	2.0
201.05472	17.2
203.07021	1.8
212.16495	1.6
213.05455	15.9
213.16403	3.1
231.06525	61.1
231.13934	2.4
231.17337	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.3
61.01138	0.2
64.07007	0.2
67.05504	1.9
69.03427	1.8
71.04958	0.2
72.08149	0.5
81.03407	1.7
81.07037	0.3
81.58355	0.2
85.02918	1.2
86.09702	0.2
86.73834	0.2
87.00808	0.2
89.00614	0.3
97.02877	0.8
98.97592	0.2
99.04424	0.6
101.00610	0.6
105.07060	0.2
109.10166	1.2
116.47920	0.2
120.04457	0.3
127.03897	0.7
130.06491	0.6
142.34305	0.2
144.04495	0.3
146.06012	0.3
157.07556	0.5
158.06012	0.8
165.61894	0.2
171.02975	0.3
185.07088	61.0
186.05534	0.4
186.07535	0.7
187.08647	8.1
203.08142	3.0
230.23033	0.2
231.07629	100.0
232.08011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1492
Annotation	Camoensine
Peak:m/z	Relative Intensity
51.57380	0.2
57.07056	0.3
62.06058	0.2
63.33539	0.2
67.05497	0.2
69.03429	1.1
69.79830	0.5
71.08628	0.2
81.03403	0.4
82.01077	0.1
85.02896	0.5
87.00769	0.2
91.05493	0.2
93.07029	0.3
97.02891	0.3
99.04476	0.2
105.05740	0.2
105.07043	0.2
109.02885	0.2
115.05436	0.4
119.08540	0.2
122.90446	0.2
127.03906	0.4
129.06963	0.4
132.04477	0.3
133.05240	1.0
143.04887	0.7
145.07607	0.4
145.10074	0.1
146.08350	0.5
156.17459	0.2
160.06314	0.3
171.04388	1.9
173.07112	1.0
174.07870	31.5
174.18486	1.3
175.08635	1.0
175.18875	0.3
176.14348	0.4
187.08636	0.5
188.09358	0.3
199.03914	0.4
217.04924	1.4
230.24785	1.7
231.14903	100.0
231.25066	0.8
232.15224	0.9
232.20578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03955	0.3
55.05511	10.2
56.05022	0.3
56.96563	0.3
57.05823	1.0
65.28770	0.2
66.26872	0.2
68.51546	0.2
69.03416	0.5
70.06590	0.3
71.08221	0.3
72.08154	100.0
73.01149	0.4
73.06541	0.3
73.08480	0.5
76.17759	0.2
81.03432	0.3
85.02887	0.3
85.17562	0.2
86.09704	6.0
92.01082	0.2
97.02900	0.4
98.06072	0.2
98.97591	0.4
101.00604	4.4
114.10289	2.0
115.08700	0.7
116.07090	0.3
116.98611	0.4
132.10207	3.6
171.09549	0.8
172.07915	1.1
185.07358	0.2
185.16525	0.9
189.04388	0.3
189.10490	0.2
214.10027	1.4
231.09038	0.2
231.12808	3.4
231.16965	3.7
231.59863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
53.16639	0.2
55.05523	0.4
56.96571	0.6
57.00506	0.2
57.03431	1.4
58.06600	0.3
60.02122	0.2
60.08165	9.2
70.06586	0.7
70.76042	0.4
71.05001	2.1
72.08158	3.0
73.08488	1.4
84.08119	0.3
85.02906	100.0
86.03234	0.3
86.09706	1.0
87.10035	1.1
88.86571	0.2
94.67186	0.2
98.97574	0.4
102.05481	0.2
106.43636	0.3
115.96407	0.2
144.10204	2.0
170.11794	0.3
173.08093	10.3
173.09587	0.5
186.07481	0.2
190.03876	0.3
190.98676	0.3
232.02663	0.2
232.15434	30.9
237.51744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66070	0.9
55.01904	1.3
55.05508	17.9
56.05016	2.5
57.07071	1.3
58.90983	1.0
67.05504	12.7
69.03407	1.3
69.07069	16.1
69.30334	3.0
69.30721	2.0
70.06605	1.8
71.04990	1.7
79.05479	5.0
81.07056	32.0
83.04989	2.4
83.08624	14.7
84.08132	2.5
85.06541	3.0
87.08086	3.3
91.05498	5.3
91.05998	0.9
93.07057	5.1
95.08022	2.1
95.08607	38.2
97.06523	7.8
97.10161	5.7
99.08131	1.4
101.05988	1.1
105.07041	6.9
106.12894	1.1
107.08604	3.0
109.06469	1.7
109.10131	3.1
111.08058	1.7
119.08587	11.8
121.10147	2.8
123.08090	3.9
128.75365	1.1
133.10133	5.7
135.11696	5.0
137.09584	2.0
137.13271	6.7
141.09142	1.1
149.13284	1.6
149.60634	1.3
158.10448	1.3
161.13269	19.3
169.35144	1.1
173.16371	1.1
178.15857	1.7
179.14259	9.0
196.16980	18.0
204.06563	1.7
214.18016	84.8
232.19063	100.0
233.19385	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.206
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
57.07018	4.0
69.03370	0.4
69.07029	0.3
70.03714	0.3
70.06554	0.2
70.60727	0.3
71.04951	0.2
72.08073	0.2
79.05418	0.3
81.03394	0.3
81.07009	0.3
88.07573	0.4
105.06988	0.3
118.06535	8.8
119.08539	0.4
132.08078	3.4
133.08859	1.5
134.05576	0.3
134.09633	0.8
146.09615	2.5
147.10379	0.4
160.11180	0.4
162.12721	1.2
174.07866	4.1
174.12798	0.7
175.08238	8.2
176.14333	64.3
188.14354	0.4
232.15283	38.8
232.20575	100.0
233.11716	0.5
233.15521	0.8
233.20934	1.2
247.21483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	6-Methoxytremetone
Peak:m/z	Relative Intensity
53.03721	0.6
55.94791	0.6
59.87323	0.6
60.70468	0.7
67.53045	0.7
69.13644	1.2
69.14056	2.4
79.05463	1.0
83.05011	0.6
91.05471	1.3
95.49384	0.6
105.07087	0.8
115.05458	1.2
116.06274	0.6
116.24265	0.7
128.06238	1.4
129.06999	2.7
129.07980	0.5
131.08606	1.5
133.06410	0.7
141.06969	1.5
141.46184	0.6
142.07759	1.0
143.08521	1.2
144.05678	0.8
145.06557	0.9
146.63475	0.7
147.08078	1.4
157.06493	2.7
158.07275	2.5
159.08057	13.3
171.04449	1.4
171.08081	5.0
172.08855	2.0
173.06020	0.8
173.09555	4.3
174.06779	1.0
175.07533	6.7
177.05460	0.6
180.45174	0.6
185.05971	1.9
186.06619	1.2
187.07533	13.4
188.08333	2.2
189.09081	6.9
199.07605	0.9
200.08322	5.6
201.05515	4.0
201.09021	0.9
202.08322	0.7
202.09883	35.6
203.07034	41.7
203.10606	2.3
203.35860	0.6
217.08725	0.9
218.07379	1.2
218.09375	13.5
233.11720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
57.03438	1.2
65.03948	0.8
67.05499	2.0
69.07021	0.6
69.46049	2.7
76.57594	0.5
79.05492	1.3
91.05476	2.1
93.07057	1.1
95.04981	1.2
101.48820	0.6
105.07016	1.7
107.04958	1.6
107.08606	1.0
109.06508	0.8
112.10838	0.6
115.05469	1.3
117.07016	1.6
119.04935	2.1
119.08581	1.7
121.06488	2.3
128.06190	4.1
129.07005	4.4
130.07828	0.6
131.08551	3.1
133.06458	1.1
135.08156	0.6
137.05971	1.4
141.07002	4.1
142.07755	0.6
143.04895	1.1
143.08582	2.7
144.05693	1.7
145.06480	8.0
145.10143	1.6
146.07233	1.7
147.08006	1.0
148.69025	0.6
149.05978	0.7
151.07504	3.4
153.06993	2.5
154.07800	2.0
155.06035	0.7
155.08559	1.9
156.05771	0.6
157.06487	8.8
158.07256	6.3
159.04401	0.7
159.08040	12.6
160.08780	1.8
161.05991	1.4
162.06715	1.2
163.11104	1.4
168.05722	1.4
169.06462	6.0
169.07558	0.7
170.07263	2.2
171.08051	8.4
172.08832	21.9
173.05989	14.2
173.09560	4.2
174.06758	4.3
174.10394	9.7
175.07538	2.8
175.11162	0.7
176.08279	2.2
177.09082	3.0
183.08087	2.5
184.08839	13.0
185.06004	5.3
185.09572	1.1
187.07573	3.0
187.11151	1.3
188.08318	60.3
189.09068	6.5
190.09851	3.4
199.07449	1.4
200.08305	10.1
201.09158	1.1
202.09810	3.5
203.10670	49.0
204.11253	0.8
205.06560	1.1
205.08467	0.8
205.12224	14.7
215.10674	25.7
233.06291	2.7
233.11722	100.0
234.11990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.68472	1.2
53.03942	2.4
55.01881	7.8
55.05504	6.3
57.07077	1.9
59.04991	1.7
64.22015	1.5
65.03919	1.8
67.05508	8.8
69.03423	6.4
69.07058	6.2
69.69155	4.8
71.04992	3.2
71.33904	1.2
75.40241	1.3
77.03918	2.1
79.05489	20.0
81.03416	3.2
81.07059	10.5
83.04991	8.2
85.06532	1.6
91.05482	26.0
93.07043	22.6
95.04967	14.3
95.08603	9.5
95.48219	1.4
97.06521	4.5
98.23420	2.6
99.04437	3.4
103.05479	2.1
105.04513	1.8
105.07031	36.6
107.04954	13.4
107.08605	7.6
109.02844	1.9
109.06522	11.1
109.10126	3.4
111.04442	2.6
111.08077	1.9
115.05453	4.7
116.06171	2.0
117.07017	15.4
119.04951	5.4
119.08597	9.1
121.02848	2.6
121.06509	41.3
121.10106	2.7
125.05969	2.2
128.06201	4.8
129.06995	11.3
130.07777	6.5
131.04900	2.0
131.08571	19.9
133.06500	9.5
133.10146	5.2
135.04395	3.0
135.08038	5.4
137.05943	3.0
141.06969	5.8
142.07825	2.4
143.08571	11.4
144.05765	2.4
144.09302	4.6
145.06480	16.8
145.10118	46.8
146.07283	3.5
147.08051	3.2
147.11678	2.1
151.07532	2.4
153.06999	4.0
154.07780	8.0
155.05946	2.1
155.07166	1.9
155.08556	9.7
157.06511	3.5
157.10078	3.2
158.07272	18.2
159.08037	19.6
159.11703	24.5
160.08763	4.5
161.09645	2.9
163.07637	1.8
163.11224	2.6
168.05460	1.5
169.06425	2.6
169.10133	11.9
171.08041	5.3
171.11713	2.4
172.08838	11.9
173.05998	6.1
173.08307	3.4
173.09621	90.0
173.13223	3.1
174.10336	2.9
177.09085	3.3
178.07845	1.9
179.08525	4.8
181.06485	2.6
182.07321	4.2
186.18513	4.4
187.11177	51.4
187.14775	3.8
188.08276	10.7
189.09076	3.5
191.03389	1.7
191.10663	6.0
197.09618	14.5
200.08235	1.7
203.10712	8.9
205.08490	1.9
205.12270	4.7
215.10674	52.4
215.14265	6.2
216.11023	1.6
217.10693	6.3
233.06073	2.3
233.08029	4.2
233.11726	100.0
233.15178	17.7
233.19943	3.2
234.20695	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
52.77414	0.4
54.69332	0.5
55.01869	0.8
55.05499	1.2
57.03438	2.9
57.07073	0.7
59.04995	1.2
61.30473	0.5
64.98717	0.5
67.05502	2.8
69.03426	0.8
69.07067	1.4
70.06583	0.9
71.04980	0.5
79.05482	3.3
81.03418	0.6
81.07051	2.5
83.04958	0.9
85.06523	0.6
87.80907	0.5
88.07627	1.2
90.48670	0.4
91.05482	5.2
92.56422	0.5
93.07034	3.0
95.04984	2.4
95.08602	1.8
95.71068	0.5
97.06528	1.0
99.04425	1.1
102.09179	0.6
103.05473	0.8
105.07028	7.3
106.08663	0.6
107.04969	2.6
107.08595	1.8
108.68339	0.5
109.06520	1.1
109.10133	1.0
111.04434	1.1
111.08134	0.5
115.05439	1.8
117.07057	2.3
119.04913	3.5
119.08567	3.9
121.06503	4.0
121.10123	1.4
123.04471	0.5
128.06233	3.1
129.07008	5.1
130.07838	1.0
131.04897	1.0
131.07744	0.6
131.08575	5.1
131.35982	0.5
133.06493	1.7
133.10106	1.5
135.08058	1.2
137.05980	1.2
141.06949	3.0
142.07761	1.5
143.04907	1.2
143.08557	3.1
144.05692	1.4
145.06485	8.2
145.10115	6.6
146.07243	1.3
147.08034	1.7
147.11691	1.0
149.05986	1.4
151.07570	3.4
153.06956	2.8
154.07784	1.3
155.04890	0.9
155.07121	0.7
155.08559	2.2
156.05707	0.9
157.06488	7.3
157.10123	0.9
158.07256	5.5
159.04396	1.0
159.08035	12.0
159.11673	4.1
160.08748	1.1
161.05997	2.4
161.09636	0.6
162.06743	1.3
163.07564	1.0
163.11194	5.7
168.05649	1.4
169.06432	5.1
169.07611	0.6
169.10110	1.5
170.07251	1.6
171.08063	7.2
172.08832	20.9
173.05989	12.7
173.08150	1.0
173.09586	7.8
173.13261	1.5
174.06784	4.1
174.10385	9.1
175.07510	2.7
175.11098	0.8
176.08319	1.6
177.09117	2.9
183.08014	1.9
184.08838	10.6
185.05959	4.2
185.09592	0.7
187.07634	3.2
187.11168	5.6
187.14818	1.4
188.08316	52.2
189.09081	6.0
190.06290	0.8
190.09885	2.8
191.03378	0.6
191.10600	1.3
197.09590	1.3
199.07498	1.5
200.08302	9.9
201.09047	1.0
202.09869	3.5
203.10661	45.2
204.11121	0.9
205.08505	0.9
205.12242	14.2
205.14046	1.2
215.10670	26.3
215.14229	1.4
215.17970	0.8
217.10722	1.0
232.22701	6.4
233.11702	100.0
233.15063	5.8
233.18982	1.4
233.22879	2.3
234.11978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
51.90233	0.4
52.21645	0.4
57.03423	0.9
57.07068	0.4
59.04980	0.4
67.05497	1.3
69.03400	0.5
69.07056	0.8
71.04977	0.8
74.06069	0.6
79.05492	0.9
81.07047	1.3
82.03610	0.4
83.04970	0.5
86.09692	0.5
91.05457	2.0
93.07037	1.2
95.04955	1.1
95.08586	0.8
97.06528	1.0
105.07036	2.4
107.04978	1.0
107.08598	1.1
109.06509	0.6
111.04457	0.8
114.64075	0.5
115.05470	1.6
117.07040	1.8
119.08595	2.6
121.06493	1.9
121.10113	0.6
123.08094	0.6
128.06216	3.2
129.07019	3.8
130.07770	0.7
131.04897	1.0
131.08553	3.5
133.06483	1.0
133.10135	0.6
135.08041	0.8
136.05148	0.6
137.05984	1.0
141.06972	3.1
142.07747	1.2
143.04880	0.9
143.08577	2.9
144.05670	1.7
145.06497	7.6
145.10158	2.1
146.07271	1.2
147.08011	1.5
147.11707	0.4
149.05923	0.6
149.09631	0.6
151.07549	2.9
152.06328	0.5
153.06989	2.6
154.07755	1.6
155.05995	0.6
155.08566	1.3
156.05672	0.9
157.06477	8.2
158.07254	4.7
159.04390	1.2
159.08058	12.0
159.11681	1.9
160.08798	1.7
161.05959	2.3
161.09605	0.6
162.06711	1.0
163.07507	0.8
163.11150	0.9
165.09102	0.5
168.05698	1.4
169.06459	5.7
169.07693	0.9
169.10065	0.6
170.07249	1.6
171.08043	6.4
172.08827	19.5
173.05971	14.1
173.08182	0.9
173.09528	3.9
173.13271	0.7
174.06743	3.6
174.10400	10.6
175.07521	2.4
175.11121	1.1
176.08304	2.2
177.09117	3.3
179.03362	0.5
183.08040	1.6
184.08830	11.0
185.05983	5.0
185.09573	0.8
187.07481	2.6
187.11163	0.7
187.14825	1.0
188.08318	51.2
189.09093	7.6
190.09929	2.6
191.03395	5.3
191.10654	0.6
199.07523	0.8
200.08316	10.3
201.08949	0.7
202.09933	3.6
203.10658	42.9
204.11061	0.9
205.08708	0.6
205.12225	13.0
215.10664	21.6
215.14160	0.9
217.10719	1.1
233.11713	100.0
233.15421	3.9
234.12044	1.5
234.14673	0.5
239.49448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05505	0.8
55.48462	0.4
56.05032	17.0
56.96563	2.5
57.03438	2.5
58.06593	3.6
66.95612	0.4
68.37937	0.3
69.03410	0.4
69.07048	0.6
70.57911	0.7
72.08159	1.3
74.02448	0.4
74.06075	100.0
74.79596	0.4
83.04977	1.3
84.04504	2.8
86.09702	23.4
97.02946	0.4
98.97569	0.7
100.99182	0.5
101.05985	0.5
101.07137	1.8
105.03271	0.4
110.97534	0.4
111.04459	1.7
116.98572	0.4
126.12769	0.5
129.05508	0.8
132.10191	19.2
142.12265	0.9
143.11818	0.7
149.96030	0.7
155.07010	2.1
162.99202	0.7
169.07576	0.7
169.13351	1.1
173.08052	2.2
180.11140	0.4
187.08675	0.8
187.14398	9.8
190.98755	1.5
191.05789	0.4
197.11497	0.5
208.99698	1.4
214.40030	0.4
215.13907	4.9
217.10721	5.1
233.06288	1.0
233.09438	2.5
233.14935	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.02383	0.5
53.03944	1.5
55.01862	1.7
55.05511	6.8
57.03419	0.5
59.04978	0.8
65.03934	1.7
65.72466	0.5
67.05504	11.6
69.07069	12.8
70.62807	1.0
71.04998	3.3
73.06551	2.4
77.03922	0.8
79.05490	26.4
81.07053	14.0
83.04974	1.5
83.08611	1.4
85.06536	1.7
91.05478	75.8
93.07043	12.0
95.04951	5.3
95.08606	7.4
97.06519	2.5
98.23157	0.9
99.08072	0.6
101.06029	0.7
103.05464	9.2
105.04501	1.6
105.07027	98.5
107.04958	2.2
107.08578	4.5
109.06522	1.9
109.10163	1.1
111.04388	0.6
113.06025	0.9
115.05472	1.5
117.07014	18.8
119.08578	58.9
120.08920	0.9
121.06477	2.7
121.10172	3.1
122.03610	0.8
123.08053	1.4
126.87661	0.5
128.06189	1.2
129.06982	5.7
130.07790	1.0
131.08563	34.9
133.06543	1.0
133.10126	11.2
135.08078	4.0
135.11716	1.6
141.06956	2.8
143.08540	3.2
145.10126	10.1
147.08044	1.6
147.11673	1.2
149.09554	1.4
153.06990	0.7
153.09140	0.9
155.07187	0.9
155.08545	4.2
156.09364	0.6
159.08052	1.9
159.11700	3.2
161.09663	1.0
161.13283	0.7
163.07486	1.5
169.10121	4.5
171.11699	7.5
173.09601	2.2
173.13258	10.9
177.09154	1.3
182.10950	0.7
187.11194	2.4
187.14824	5.4
187.43652	0.6
188.08357	1.0
189.12642	0.6
191.10681	1.0
197.13260	7.4
203.10663	0.8
205.06580	1.0
205.12137	1.4
215.14296	9.7
215.17876	1.2
217.10680	1.8
233.06058	3.1
233.11566	2.4
233.15355	100.0
233.19099	2.6
234.06586	1.0
234.15747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1749
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
50.56048	3.6
55.05511	29.7
57.03437	7.6
57.07068	5.0
66.09509	3.6
67.05504	39.1
69.03425	5.1
69.07069	37.1
69.22064	20.8
71.04993	17.3
79.05497	33.3
81.03452	5.0
81.07064	80.3
83.04984	13.1
83.08624	16.6
83.88020	3.3
84.63039	3.3
85.06547	13.7
87.04473	11.9
91.05482	57.0
93.07039	42.8
95.04986	10.6
95.08608	100.0
96.87408	3.6
97.06540	28.2
97.10185	13.0
99.08104	8.0
101.06004	6.9
105.07027	73.0
107.04971	10.8
107.08580	21.6
109.06508	8.7
109.10146	14.8
111.04446	7.2
111.08049	5.6
115.05458	4.9
117.07024	21.2
119.04910	6.0
119.08580	74.7
119.85202	3.8
121.06504	6.3
121.10149	14.8
123.08108	10.2
123.11714	7.7
127.07531	4.1
128.06310	4.9
129.07007	12.9
130.07762	3.6
131.04974	4.8
131.08569	38.9
133.06520	4.0
133.10136	29.5
134.10870	5.6
135.11693	21.0
137.09647	5.3
137.13284	10.1
143.08575	6.0
145.06528	8.6
145.10127	27.3
147.05562	24.9
147.07996	5.4
147.11678	7.5
149.09573	6.2
149.58136	3.6
155.07051	8.0
159.08051	11.2
159.11708	19.9
161.07169	3.9
161.13255	67.2
163.11191	8.3
169.10109	5.8
171.11740	5.3
172.08841	5.5
173.08183	9.0
173.09625	16.3
173.11765	5.3
173.13266	10.3
174.10382	5.2
175.07579	4.9
177.05583	6.0
179.14317	49.6
187.07593	5.8
187.11212	10.6
187.14774	18.0
188.08282	19.8
189.09068	5.3
189.14688	5.8
191.03383	35.3
197.13516	5.7
197.15341	28.2
203.10658	13.4
205.12283	8.1
205.15970	4.2
215.10675	18.3
215.14299	13.0
217.10686	17.8
221.16173	3.9
233.08044	14.9
233.09241	31.9
233.11450	58.4
233.15367	66.7
233.17360	36.8
245.21495	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1489
Annotation	Crispine A
Peak:m/z	Relative Intensity
55.05505	4.0
57.03436	0.7
59.04700	0.4
59.04997	6.1
61.88566	0.4
65.26277	0.3
67.05494	0.4
69.71783	1.4
72.08139	0.4
73.06547	1.0
75.65726	0.3
79.05495	0.4
83.04984	3.1
89.06023	0.6
91.05486	0.7
92.04962	0.4
93.05782	0.4
93.07045	0.5
95.08630	0.3
101.06021	1.6
105.03391	3.2
105.07028	0.8
107.08572	0.8
111.04440	7.1
115.05463	0.4
117.07003	1.3
118.06538	8.4
119.06515	0.5
119.07315	8.5
119.08598	0.7
127.07520	0.6
129.05476	1.2
132.08110	1.0
134.09645	87.0
135.10011	0.8
135.11615	0.3
136.06137	0.4
155.07014	6.2
173.08084	6.5
175.12291	0.8
176.10725	1.3
189.05251	0.4
199.09621	1.1
217.10692	15.3
218.12973	0.5
234.14874	100.0
235.15323	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	5.0
63.85850	1.4
69.60590	5.5
69.62933	1.4
72.08179	1.5
73.02912	2.0
74.06067	1.7
83.04955	2.1
84.08139	12.2
94.93019	14.2
97.02882	2.0
101.00860	1.9
101.05990	1.8
111.04410	4.3
114.89324	2.0
116.98622	1.9
119.01880	3.5
129.10248	3.7
130.08629	2.1
136.94023	100.0
142.03479	2.6
143.01851	1.5
146.08098	2.2
149.01129	1.8
155.07042	3.7
161.02951	2.0
173.02960	2.4
173.08054	4.2
205.99086	1.5
217.10693	11.6
219.87578	2.4
234.14540	3.3
235.16908	2.0
236.07925	2.5
239.20311	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.07065	0.7
60.80178	0.5
67.05507	1.4
69.07069	0.5
71.04983	3.8
71.46598	0.5
79.05489	3.1
81.07042	2.1
91.05472	2.0
95.04981	1.3
95.08602	0.7
97.01118	30.7
99.04420	0.9
103.05452	0.6
105.07032	4.2
107.04961	9.7
109.01118	1.0
109.06526	1.6
110.99018	2.5
111.02641	1.1
115.05457	1.8
117.06983	1.9
119.04935	1.9
119.64600	0.6
121.01083	1.1
123.02639	2.5
125.00607	1.5
128.06212	6.8
129.06960	1.4
133.01080	0.7
133.06476	1.2
134.01817	0.7
135.02676	1.3
135.58209	0.5
137.00557	2.4
137.04150	0.9
141.06978	2.0
145.06497	0.9
147.02634	6.0
148.03392	0.8
151.07527	2.9
155.08536	1.4
161.00574	1.2
161.04221	2.3
161.13272	0.8
163.02106	2.0
167.01189	0.7
169.06473	1.6
171.02534	0.7
173.04231	4.4
174.05025	1.7
175.05716	1.2
176.02910	16.0
179.07129	0.6
179.59990	0.7
181.56219	0.5
184.03410	1.3
189.03682	70.6
189.07210	1.5
190.04077	0.8
191.05211	1.1
201.03700	0.9
202.04483	4.1
202.62978	0.6
217.06831	12.0
217.08881	0.8
235.07863	100.0
236.08185	1.3
237.26836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
53.13291	0.2
55.01865	1.9
55.05515	0.8
56.71684	0.2
57.03445	0.4
57.07076	0.5
67.05511	1.8
69.03434	0.9
69.74287	0.9
71.04997	3.7
77.03907	0.3
79.05504	3.4
81.03401	1.3
81.07061	2.6
83.04977	0.3
85.01131	0.4
86.36133	0.2
91.05487	2.0
93.07054	1.1
95.04963	1.3
95.08614	0.8
96.00355	0.3
97.01118	36.7
98.01489	0.3
98.23463	0.4
99.04457	1.1
103.05466	0.5
105.04546	0.3
105.07029	3.9
107.04955	10.4
107.08591	0.4
109.01128	1.0
109.06514	1.8
110.01907	0.3
110.99031	3.1
111.02679	1.1
113.00581	0.4
115.05445	2.3
117.07020	2.5
117.19528	0.3
117.20667	0.3
118.04167	0.7
118.75544	0.3
119.04944	2.0
119.08561	0.3
121.01122	1.6
121.10163	0.5
123.02673	2.8
125.00577	2.7
128.06230	7.5
129.07007	1.7
133.01097	1.0
133.06502	1.1
133.07492	0.3
134.01878	0.7
135.02643	1.7
137.00575	2.7
137.04184	0.6
137.05974	1.3
139.02109	0.9
141.07007	1.8
141.33391	0.3
142.07823	0.5
143.08566	0.5
145.06465	0.9
147.02628	7.7
148.03418	1.1
149.04187	1.0
151.02084	0.7
151.07556	2.5
153.06989	0.5
155.06024	0.4
155.08560	2.0
156.09361	1.1
159.02727	0.4
160.03459	0.8
161.00589	1.3
161.04213	3.6
163.02127	1.9
163.05779	0.6
163.60570	0.3
165.07036	0.9
166.07791	0.4
169.06488	0.9
171.02679	0.8
173.04213	5.5
173.93932	0.3
174.04993	2.0
175.02104	0.5
175.05829	1.2
176.02917	18.9
177.03481	0.6
179.05363	0.4
184.03444	1.2
187.02084	0.5
188.02950	0.4
189.03688	93.6
190.04083	1.1
191.05246	1.1
199.05782	0.5
201.03705	1.1
202.04477	5.8
217.06828	15.5
218.11038	0.4
235.07870	100.0
236.08163	1.7
236.16518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1325
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	1.3
55.05505	2.6
55.36854	1.2
57.07043	1.7
60.92077	1.2
67.05505	17.2
69.07069	2.0
71.04982	1.3
71.46673	1.2
77.03923	2.5
78.96447	1.1
79.05496	23.6
81.07037	7.6
88.45570	1.2
90.65370	1.2
91.05482	28.1
93.07049	75.3
95.04974	12.3
95.08604	5.4
105.04517	3.9
105.07024	5.4
107.04942	1.3
107.08604	14.8
109.06531	2.0
109.10160	2.9
111.43153	1.2
111.56508	1.2
117.07011	2.4
119.08585	4.8
121.06487	2.0
121.10127	13.9
129.07007	2.4
131.08566	2.2
133.10118	5.5
135.08025	2.1
135.11690	3.0
136.05168	1.7
138.06833	2.2
142.07811	2.1
143.08553	3.5
144.05753	1.5
145.06496	4.8
145.10068	1.4
149.09874	1.2
151.07553	9.7
156.09364	1.5
157.10091	1.9
158.07242	3.5
159.08008	8.4
160.08853	2.2
161.06041	3.0
161.09662	1.7
161.13235	3.3
165.09122	5.2
170.07257	1.7
171.08069	7.8
171.11725	1.7
173.05960	6.6
173.09680	3.8
174.06741	5.7
174.08336	1.5
174.10428	3.5
175.07588	2.7
175.14912	1.8
176.08316	4.3
177.09119	3.1
185.09602	2.3
186.10393	27.9
187.07547	15.2
188.08308	26.9
188.09895	2.0
189.09077	19.8
189.16418	2.3
190.01128	1.4
191.10683	5.9
199.14813	4.0
202.08076	2.6
202.09885	40.7
203.10620	2.2
204.11508	8.4
205.12251	6.5
217.12248	100.0
217.15788	4.6
218.11047	3.6
235.07637	4.1
235.11079	1.7
235.13303	22.7
235.16887	13.4
244.97856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1553
Annotation	Benzoylagmatine
Peak:m/z	Relative Intensity
55.05514	1.0
60.05648	0.7
71.22454	0.4
72.08145	7.1
73.04025	1.0
77.03931	1.0
77.51289	0.3
95.04970	2.0
97.07643	1.5
98.06039	2.3
99.76717	0.3
104.05015	0.6
105.03384	100.0
114.10275	2.0
115.08680	12.2
122.06026	1.9
134.06010	5.9
158.00368	0.3
175.12294	28.9
176.10696	52.9
177.11028	0.5
193.13300	2.1
218.12869	18.6
235.15518	80.8
236.15823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04762	0.2
53.01391	0.2
53.65538	0.2
58.06584	2.3
59.07371	1.9
61.52641	0.2
69.64455	0.3
69.64831	0.4
72.10903	0.2
80.14931	0.2
92.04763	0.2
98.23451	0.2
101.15507	0.2
118.08643	100.0
119.09003	0.7
119.92496	1.2
132.10191	0.6
136.93985	0.4
229.71370	0.2
234.96408	0.3
235.04564	0.3
235.16528	0.8
259.06320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02388	0.7
51.71022	0.5
53.03724	0.4
53.03945	3.0
55.01869	0.9
55.05518	3.6
57.07062	0.7
64.23270	0.4
65.03940	1.6
67.05508	19.9
67.82546	0.4
69.07078	2.6
69.14152	2.0
69.14552	0.7
71.04989	1.0
77.03925	3.3
79.05498	27.2
81.07061	10.6
83.04971	1.0
83.08616	1.2
85.06547	0.8
91.05486	36.9
93.07047	100.0
95.04974	12.3
95.08610	7.9
97.06548	1.2
97.10165	0.7
105.04514	6.3
105.07037	6.5
107.08599	14.6
109.06480	0.7
109.10154	3.3
111.08117	0.5
117.06971	2.3
119.08587	5.4
121.06522	1.4
121.09267	1.1
121.10146	20.9
123.08054	1.0
123.11691	0.7
129.07031	1.1
131.08585	2.9
133.10121	6.6
135.08070	1.7
135.11691	5.4
137.09615	0.8
142.22716	0.5
143.08549	1.4
145.10118	1.7
147.11705	1.9
149.09599	1.2
151.11180	1.1
153.09070	0.9
157.10127	2.0
159.11702	0.9
161.09566	0.9
161.13249	4.1
171.11700	1.3
173.13295	0.6
175.11209	0.6
175.14806	2.6
179.10628	0.8
186.10434	0.8
189.09093	0.7
189.16412	2.2
199.14812	3.5
202.09857	1.1
217.12285	1.9
217.15913	3.5
229.54938	0.5
235.07439	0.9
235.13423	0.7
235.16940	16.0
236.12781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.20094	0.7
53.03937	3.5
53.86906	0.7
55.01868	2.3
55.05509	15.9
56.71482	0.6
57.03440	2.4
57.07087	1.5
57.19862	0.7
65.03944	2.2
65.24276	0.6
66.08715	0.7
67.05503	48.9
69.03420	0.9
69.07066	14.2
71.01942	0.9
71.04990	3.5
73.06556	0.9
74.67966	0.7
77.03942	3.5
79.05492	92.6
81.03418	6.6
81.07056	48.9
83.04987	3.7
83.08617	8.6
85.02881	1.2
85.06539	3.4
91.05476	52.6
93.07042	100.0
95.04965	13.0
95.08603	34.9
97.06516	5.0
97.10145	3.4
99.04424	0.8
99.08067	1.9
101.06004	1.6
103.05453	0.9
105.04513	4.6
105.07027	25.9
107.04967	2.8
107.08588	62.7
109.06531	5.0
109.10153	8.5
111.04442	0.7
111.08063	3.4
115.05431	1.4
117.07020	10.3
119.06052	1.4
119.08583	29.2
121.06502	3.1
121.10142	72.5
123.08063	5.2
123.11723	1.6
125.09602	1.5
128.06212	1.5
129.06993	5.7
131.08559	17.5
133.06429	0.9
133.10124	25.5
135.08047	8.8
135.11687	14.4
137.09598	4.6
139.07448	1.0
142.07791	0.9
143.08557	5.1
144.60025	0.7
145.10127	5.9
147.08096	3.8
147.11678	6.3
149.09563	3.7
149.13141	0.8
151.11205	1.6
153.09085	3.3
157.10127	8.4
159.11728	1.5
161.09610	2.3
161.13248	2.8
167.10635	1.2
171.11662	6.0
173.13260	8.4
175.11218	2.8
175.14801	9.9
175.77487	0.9
179.10712	1.7
189.12737	3.0
189.16370	10.9
191.14337	1.5
193.12184	1.3
199.14801	16.8
207.17427	2.7
217.15886	15.6
218.11131	1.2
235.16920	85.7
236.17206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.37163	1.3
51.02367	1.3
53.03941	1.2
53.99360	1.2
55.05505	10.4
57.03406	1.7
57.07063	5.6
62.13390	1.4
62.71645	1.4
62.84189	1.2
65.03918	2.0
67.05505	31.2
69.07072	8.8
69.41843	4.9
71.04977	1.7
75.17280	1.3
79.05496	17.4
81.07057	86.6
83.08628	7.0
87.04398	1.5
91.05476	14.7
93.07045	31.9
94.07274	1.3
95.04964	5.3
95.08605	78.8
97.06516	4.6
97.10150	2.7
98.22723	2.8
99.04431	3.5
105.07030	45.7
107.08592	90.4
108.09373	2.5
109.06560	6.5
109.10155	26.6
109.16904	1.6
111.08061	1.7
113.06003	5.7
117.07005	3.0
119.06106	2.1
119.08582	56.7
121.06477	1.7
121.10140	28.9
123.08065	3.6
123.11706	52.8
124.12143	1.4
125.06112	1.6
131.08565	1.5
133.10124	37.8
135.08044	5.2
135.11691	52.4
136.12440	6.1
137.09663	2.4
139.07570	1.7
139.11124	1.6
143.08551	2.1
145.10123	3.0
146.50851	1.4
147.08043	3.2
147.11691	20.9
149.13332	1.9
151.11176	1.8
153.09135	8.4
155.10619	1.5
157.10121	4.5
159.11653	7.9
161.09602	6.2
161.13257	82.6
165.09106	3.6
171.08009	1.3
175.11169	5.1
175.14857	2.1
179.10660	4.4
188.08276	2.0
189.09048	2.4
189.16376	100.0
190.16685	2.1
199.14850	5.4
202.09958	1.6
217.12338	8.2
217.15854	29.9
218.11082	3.3
235.07458	4.3
235.16930	87.8
236.17252	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02351	0.5
53.03936	2.0
55.01863	1.0
55.05510	4.6
57.03427	0.6
57.07076	0.8
60.79315	0.4
61.40725	0.4
65.03921	0.8
67.05502	22.2
68.82306	0.4
69.07068	4.4
71.04988	1.2
71.46510	0.6
77.03937	2.7
79.05492	38.6
81.03397	0.8
81.06566	0.7
81.07052	13.4
83.04987	0.6
83.08609	2.3
85.06523	1.1
91.05479	35.4
93.07041	100.0
94.07352	0.7
95.04973	11.7
95.08607	9.1
97.06541	1.2
97.10166	1.0
99.08115	0.6
101.06017	1.0
103.05379	0.6
104.72828	0.5
105.04509	4.8
105.07031	8.4
107.04958	1.4
107.08592	21.5
109.06509	1.9
109.10137	3.4
117.07019	3.2
119.08580	8.1
121.06491	1.7
121.10141	28.5
123.08064	1.4
129.06996	1.1
131.08553	3.7
133.10124	8.2
135.06877	0.4
135.08015	2.8
135.11681	5.9
137.09619	1.7
139.07567	0.6
143.08578	2.5
145.10121	1.8
147.08142	0.5
147.11676	1.2
149.09579	1.8
151.11136	1.4
153.09091	1.5
157.10179	2.3
159.11670	1.1
161.09679	1.1
171.11739	1.2
173.13248	1.6
174.08379	0.8
175.11127	1.0
175.14835	3.4
177.06946	1.0
178.07726	0.6
179.08505	0.6
179.10635	0.6
189.08995	0.5
189.12737	1.5
189.16391	2.3
190.08623	0.6
193.12201	0.8
199.14821	6.7
205.06468	1.3
207.17439	0.5
217.12338	1.1
217.15933	3.5
218.10985	1.5
235.07521	5.0
235.09796	0.6
235.13075	1.1
235.16924	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02375	0.5
52.03174	0.2
53.03941	2.4
55.01879	0.6
55.05512	2.2
57.07070	0.9
57.78288	0.3
59.05006	0.5
63.97613	0.3
65.03935	1.1
67.05505	17.9
69.03429	1.5
69.07070	2.4
69.99114	0.5
69.99426	0.5
71.05000	0.7
77.03933	3.2
79.05497	25.3
81.07061	7.7
83.04974	0.6
83.08613	1.0
85.06557	0.7
85.37135	0.3
91.05483	36.9
91.53336	0.3
93.07047	100.0
94.07373	0.4
95.04970	12.6
95.08607	6.3
97.06525	0.8
97.10196	0.4
98.23408	0.4
99.08096	0.3
101.06033	0.4
105.04514	5.2
105.07024	4.2
107.04946	0.3
107.08598	13.0
109.06533	0.7
109.10160	2.0
112.45685	0.3
117.07021	1.3
118.06517	0.4
119.08582	4.2
121.06506	0.7
121.10147	17.3
123.08065	0.5
129.07042	0.7
131.08575	1.9
133.10139	5.3
135.08081	1.9
135.11694	3.8
137.09589	0.5
143.08542	1.0
145.10120	0.4
147.11661	0.7
149.09605	0.8
151.11223	0.7
153.09142	1.0
157.10118	1.1
171.11676	0.9
173.13313	0.9
175.14896	1.8
179.10710	0.5
189.12772	0.7
189.16383	0.8
192.83264	0.3
199.14798	2.4
217.15865	1.5
218.11034	0.4
232.83171	0.3
235.07550	2.2
235.13177	1.1
235.16924	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.02370	0.6
53.03944	2.6
55.05510	2.3
56.44171	0.4
58.32182	0.4
59.55873	0.4
65.03944	1.1
66.11185	0.4
67.05503	22.4
69.07075	1.9
70.49080	0.6
71.04980	0.6
77.03945	2.5
79.05490	26.2
81.07055	7.4
83.04964	0.5
83.08616	1.3
85.06543	1.1
91.05478	34.0
93.07040	100.0
94.07354	0.7
95.04965	11.6
95.08604	5.3
97.10162	0.8
99.08020	0.5
99.43355	0.4
101.05988	0.9
102.28420	0.4
105.04514	5.8
105.07020	4.2
107.08588	14.4
109.06517	0.8
109.10133	1.4
117.07005	1.9
119.08577	5.2
121.06504	0.7
121.10139	19.0
126.45132	0.4
129.07022	1.2
131.08583	2.5
133.10117	5.5
135.08044	1.9
135.11682	4.6
137.09633	0.9
142.92104	0.4
143.08582	1.1
145.10066	0.7
147.11693	0.7
149.09650	1.0
151.11162	0.5
153.09103	1.1
157.10136	1.1
158.27344	0.4
167.10661	0.5
171.11659	1.1
173.13272	0.8
175.11165	0.7
175.14838	1.9
189.12761	0.9
189.16339	1.2
199.14777	2.5
217.15868	2.5
235.07457	2.1
235.13208	0.9
235.16927	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02366	0.5
53.03945	1.9
55.01849	0.8
55.05512	5.9
57.07067	0.9
63.35289	0.4
65.03934	1.3
67.05501	26.7
69.03063	0.7
69.03422	11.1
69.07068	5.1
69.66033	1.1
69.66381	0.9
70.30879	0.4
71.04980	1.4
77.03920	3.6
79.05486	37.5
81.03428	0.6
81.07050	18.7
83.04974	1.6
83.08627	2.4
85.06541	1.4
91.04881	0.8
91.05473	36.9
93.07037	100.0
93.45297	0.4
94.07388	0.9
95.04962	11.4
95.08022	0.8
95.08601	13.2
97.06507	2.1
97.10197	1.0
99.08076	0.7
105.04515	5.1
105.07021	9.2
107.04964	0.9
107.08583	25.5
109.06493	1.2
109.10152	4.6
111.08080	0.6
117.07020	3.1
119.08569	8.4
119.21528	0.4
121.06488	1.3
121.10136	27.7
123.08058	1.5
123.11700	1.1
129.07005	1.8
131.08563	4.4
133.10114	11.9
135.08058	2.3
135.11688	6.2
137.09604	1.3
141.61316	0.4
143.08562	1.8
145.10129	1.0
147.08061	0.6
147.11667	2.2
149.09621	1.1
149.13229	1.1
151.11160	0.8
153.09087	1.6
157.10104	1.9
161.09685	0.8
161.13231	0.8
163.83223	0.4
171.11642	1.6
173.13249	1.1
175.14828	4.0
179.10635	0.7
187.05769	0.4
189.12656	1.0
189.16357	2.1
199.14795	4.5
202.34180	0.5
207.17517	0.5
217.15921	3.3
217.19539	1.8
222.77434	0.4
235.07408	1.0
235.16908	31.8
235.20332	3.5
236.17050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0918
Annotation	Thalflavine
Peak:m/z	Relative Intensity
55.01866	3.6
69.13821	4.8
71.01370	5.1
73.97919	0.9
91.05479	7.9
93.05769	1.2
93.07027	0.9
95.04964	1.9
101.61499	0.8
105.03380	0.9
106.06563	1.1
109.06512	1.3
116.04991	2.4
117.05794	1.9
117.07012	1.5
119.07321	1.8
121.05184	0.9
121.06516	19.3
123.06822	1.5
124.07574	1.4
130.06531	5.2
131.07318	6.6
132.04410	1.5
133.05254	4.7
134.06026	4.2
135.08067	1.1
136.07579	80.6
137.05997	1.5
138.09123	7.1
139.07521	4.8
145.06476	1.6
146.06018	11.6
147.06807	15.5
148.07578	26.8
149.07108	1.3
157.05238	1.1
159.06850	1.1
160.07593	7.8
161.08337	1.3
162.05507	11.6
162.09152	48.8
164.07079	28.8
172.07570	5.7
175.06299	6.0
176.05798	0.8
176.07076	6.2
188.07057	1.8
190.08632	81.4
192.06555	20.4
200.07037	6.6
206.08165	2.3
208.09676	21.9
218.08138	15.8
218.09953	1.1
236.09180	100.0
236.16418	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
51.02386	2.0
53.72143	1.9
55.05510	12.1
57.07069	3.3
59.05002	8.2
64.34760	1.7
65.82063	1.8
67.05508	25.0
69.03409	4.5
69.07063	11.8
71.04996	29.9
77.03907	3.1
79.05499	16.9
81.07062	73.4
83.04976	4.6
83.08634	3.6
85.06539	12.9
87.04426	2.2
91.05484	27.5
93.07050	100.0
95.04977	8.4
95.08617	39.4
97.06539	4.9
97.10161	2.4
99.08103	13.4
105.07034	73.6
105.07742	4.2
106.25269	1.8
106.79288	1.8
107.08598	30.0
109.06517	6.9
109.10172	21.5
111.08073	4.1
113.06012	4.8
113.09656	2.5
115.07585	3.5
117.07021	6.3
119.08597	21.4
121.06535	5.3
121.10169	16.3
123.08086	5.8
123.11715	38.0
125.09660	6.8
127.07534	3.6
127.11199	11.4
131.08569	16.8
133.10136	82.5
135.08058	2.7
135.11678	11.6
137.07928	2.9
137.09598	5.7
139.11177	3.7
145.10138	15.7
147.11690	15.3
149.06015	2.8
149.09642	3.6
149.13252	5.3
151.11183	51.6
159.11752	14.1
161.13219	5.6
163.05899	3.2
163.09526	3.8
163.11139	3.7
165.12729	2.8
173.13264	16.2
175.14857	4.2
177.12646	3.8
191.08977	3.5
191.14337	3.9
191.17990	5.9
201.16391	23.2
219.14024	2.8
219.17456	57.5
237.09402	9.8
237.14783	2.8
237.16188	3.1
237.18506	63.6
247.84366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.15160	1.4
55.01867	5.4
55.05509	13.9
57.03440	3.6
57.07074	5.4
59.05001	21.5
67.05504	16.8
69.03416	10.8
69.07064	14.5
69.22999	1.4
70.30215	3.2
71.04988	19.3
71.08604	1.4
79.05486	22.3
81.07055	100.0
83.04964	2.9
83.08627	6.6
85.06533	8.2
87.04462	7.5
91.05478	15.8
93.06451	2.3
93.07041	40.2
93.07608	3.0
95.04965	5.2
95.08605	35.3
97.06531	12.2
97.10168	3.3
98.23310	1.8
99.08087	29.1
105.04522	1.6
105.07020	37.3
107.08588	41.1
109.06512	13.2
109.10155	25.7
111.08077	4.5
115.07580	3.1
117.07014	5.4
119.08581	23.4
121.10144	20.9
123.08073	6.9
123.11708	15.4
125.09645	7.7
127.07554	11.6
127.11197	18.2
131.08601	9.1
133.10124	30.1
135.11684	35.1
137.09625	2.2
137.13237	3.4
139.11186	2.8
141.09160	2.1
143.10661	6.3
144.09341	2.2
145.10118	27.2
147.11646	7.3
149.09615	2.3
149.13213	8.0
151.04153	1.4
151.11171	30.5
151.14777	1.9
155.10663	7.6
157.10104	3.2
159.11693	22.0
161.13251	25.7
163.11208	2.8
163.14845	4.5
167.10834	1.7
169.12236	2.3
173.13286	4.5
175.14807	2.7
177.12799	3.5
177.16335	3.3
179.14282	5.3
181.12248	1.6
189.16418	2.8
191.14346	3.0
191.17950	5.9
201.16385	14.9
219.13857	2.3
219.17424	24.1
220.17699	1.5
237.15591	7.3
237.18503	32.5
247.36653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.07057	2.3
55.01869	3.6
55.05506	12.5
57.03429	3.9
59.04997	12.2
62.17036	2.3
67.05512	19.2
69.03424	29.1
69.07058	13.1
69.27168	14.0
71.04990	36.8
79.05487	29.2
81.07052	100.0
83.08603	5.8
85.06536	5.4
91.05473	12.9
93.07046	36.5
95.04979	11.3
95.08610	26.5
97.06522	12.0
99.08075	11.5
105.07036	38.9
107.08585	44.9
109.06521	25.6
109.10151	37.7
111.08061	6.6
112.03143	2.4
117.07053	5.3
119.08565	20.2
121.06498	3.3
121.10133	20.2
123.08090	8.2
123.11701	14.8
125.09639	16.8
127.07635	4.3
127.11198	47.1
127.12090	4.0
131.08588	7.2
132.34044	2.4
133.10114	32.0
135.08046	3.0
135.11681	20.7
137.09618	3.9
139.11169	6.1
143.10687	11.2
145.10124	37.1
147.11716	8.4
149.02330	36.0
149.09587	2.6
149.13278	3.8
151.11176	68.4
153.12674	3.4
155.10654	23.0
159.11739	15.6
161.13229	12.6
163.11269	2.8
173.13231	4.8
176.07089	11.0
177.12761	6.9
177.16393	2.5
191.14299	2.9
191.17993	4.4
201.16422	18.2
219.17418	10.3
220.09734	3.3
237.16434	5.1
237.18469	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03943	1.9
53.56487	1.7
55.01873	4.1
55.05500	9.1
57.03408	2.0
57.07079	3.8
58.39066	2.0
59.04992	5.3
60.61971	1.7
67.05499	16.0
69.03423	13.9
69.07062	7.4
70.04178	5.0
71.01331	2.2
71.04997	26.6
79.05482	17.6
81.07056	100.0
83.04968	2.5
83.08604	3.8
85.06531	3.9
91.05478	16.1
93.07044	51.2
95.04955	5.4
95.08599	17.3
97.06527	7.4
97.10154	3.1
99.08099	40.0
103.05452	2.5
105.07022	29.3
107.08596	23.2
109.06528	16.2
109.10154	26.2
111.08031	3.6
113.06001	3.1
115.07594	4.2
117.07006	3.3
119.08581	12.6
121.06512	3.4
121.10152	15.0
123.08049	3.6
123.11716	19.6
125.09631	8.8
127.07567	21.6
127.11190	21.9
131.08539	6.4
133.10129	43.5
135.08051	2.1
135.11694	7.4
136.07550	4.2
137.07939	5.8
139.11185	5.2
143.10649	5.8
145.10127	11.7
147.11691	10.2
148.07591	2.0
149.13257	6.5
151.11186	43.0
155.10675	10.0
159.11668	7.5
161.13280	7.8
162.09204	2.0
163.09467	3.1
165.07376	2.2
169.12177	4.5
173.13242	3.4
177.12718	3.4
177.16431	2.7
191.08936	14.4
191.17966	2.8
199.63550	2.0
201.16461	9.1
209.09898	2.3
213.68568	1.8
219.08578	2.5
219.17410	19.1
237.09396	12.7
237.14825	3.6
237.18436	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03936	3.4
54.80081	1.4
55.01871	2.6
55.05505	12.5
57.03436	2.3
57.07069	3.5
59.05002	7.6
67.05508	23.2
67.66058	1.4
68.21654	1.7
69.03430	13.6
69.07069	13.7
69.35973	7.4
71.04993	31.5
75.42402	1.4
79.05492	26.9
81.07059	100.0
83.04976	6.5
83.08613	5.2
85.06529	5.8
89.06042	2.2
91.05476	12.3
93.07043	29.4
95.04956	9.7
95.08611	22.0
97.06543	8.4
97.10179	4.5
99.08096	45.0
105.07028	33.9
107.04971	2.7
107.08595	31.8
109.06522	19.1
109.10165	35.7
111.08091	5.5
117.07020	4.4
119.08584	17.4
120.67238	1.5
121.06519	5.4
121.10142	20.1
123.08068	5.0
123.11695	14.5
125.09636	8.8
127.07557	21.4
127.11195	32.3
129.07016	1.7
131.08548	11.5
133.10129	46.6
135.08073	5.9
135.11679	12.5
137.09541	3.2
139.11192	3.9
143.10667	5.3
145.10155	18.0
147.11679	13.5
149.05983	2.9
149.13257	10.8
151.10039	3.0
151.11198	42.0
151.12415	2.0
155.10709	10.0
159.08087	2.7
159.11702	11.0
161.13272	7.6
163.11192	2.7
165.12726	2.1
169.12228	3.0
173.13263	3.3
177.12784	3.1
191.14200	2.2
201.12823	2.1
201.16324	9.5
219.10152	4.4
219.13828	4.3
219.17421	17.6
226.08261	1.6
237.11147	5.2
237.14868	5.8
237.18329	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03936	3.8
55.05507	27.1
57.03444	4.5
57.07082	18.7
59.05011	18.3
67.05499	29.6
69.07054	33.4
69.27380	19.8
71.04980	5.2
75.27323	3.0
78.11506	3.2
79.05499	11.6
81.07056	100.0
83.04988	6.3
83.08622	19.3
85.02921	3.7
85.06544	24.7
89.06013	6.2
91.05485	9.8
93.07030	30.3
95.08598	74.5
97.06525	13.6
97.10175	11.1
99.08091	14.4
102.04219	3.2
105.07010	18.4
107.08598	46.9
109.10152	39.8
111.08067	15.0
111.11729	10.0
119.08601	28.4
121.10154	33.5
123.08092	4.7
123.11707	42.8
125.09641	9.8
127.11230	5.8
133.10112	19.7
135.11673	26.1
137.13252	49.8
139.11223	20.0
143.10680	4.1
147.11678	31.0
149.13292	12.8
151.11197	7.8
153.12677	4.7
161.13269	13.3
163.14819	27.0
165.12936	4.0
175.14828	5.2
177.16388	7.3
182.93376	3.2
187.57890	3.7
203.17937	50.0
221.18983	64.0
239.08881	35.2
239.18036	7.4
239.20068	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.54306	3.1
55.05506	28.0
57.03437	4.7
57.07073	15.2
59.05000	21.4
59.73066	3.4
67.05499	35.2
69.07064	48.6
69.56435	13.6
71.04994	18.0
79.05094	3.1
79.05465	17.2
81.03419	3.8
81.07053	94.4
81.13735	3.4
83.04985	7.7
83.08618	21.5
85.02920	8.9
85.06544	9.8
89.06030	5.7
91.05484	13.6
93.07038	43.4
95.04995	5.4
95.08605	100.0
97.06538	17.7
97.10158	19.8
99.08092	7.3
105.07037	25.4
107.08588	58.6
109.06561	5.0
109.10150	63.9
111.08083	8.4
111.11724	24.1
113.09673	5.4
115.07578	4.7
115.18932	3.6
119.08555	44.1
121.10144	30.7
123.11706	38.6
125.06052	4.7
125.09645	16.9
127.11194	9.9
127.56249	3.7
133.08604	3.8
133.10124	37.3
133.98210	3.9
135.11690	71.0
137.09650	7.4
137.13254	50.8
139.11201	12.6
143.10693	8.3
147.11662	27.9
149.13242	25.6
151.11166	7.9
151.14865	5.1
153.12712	9.5
155.08549	3.2
161.13264	20.9
161.52534	4.0
163.14833	29.8
165.12706	5.0
171.43689	3.3
177.16374	7.4
181.47534	3.8
193.19647	4.7
203.17960	70.6
221.11816	4.1
221.18970	80.6
235.68211	3.3
239.06696	6.4
239.08884	66.2
239.17931	7.0
239.20042	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1594
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
52.87902	0.4
55.01869	6.3
55.05487	0.5
56.05008	0.4
57.79864	0.4
58.22895	0.4
67.05505	2.8
68.05035	2.7
69.03419	0.9
69.07066	12.8
69.07442	0.7
70.02949	1.9
70.06593	15.1
71.04990	17.3
79.05490	3.2
80.05006	1.3
81.07042	2.8
82.06560	1.0
83.04956	0.9
84.02117	2.1
84.08136	0.8
86.06068	3.2
93.07047	1.3
94.06554	1.3
95.07325	1.0
95.08628	0.4
96.04482	2.5
96.08128	20.6
97.02890	0.5
97.05276	2.2
97.06512	1.7
98.06040	1.7
98.09692	8.0
98.97552	0.9
99.08063	0.5
105.06982	0.5
106.06560	4.7
107.08577	1.7
108.08119	4.5
109.06463	0.8
109.10136	1.1
111.04428	0.5
111.67130	0.5
112.07603	1.3
116.98642	0.9
119.08564	0.4
120.08099	1.7
122.06028	8.8
122.09674	1.1
124.07589	59.4
124.11225	1.5
125.08424	2.9
126.09149	1.4
134.06010	1.1
134.09679	0.6
135.08055	1.2
136.07579	1.4
137.09590	0.5
140.07051	10.2
140.08144	0.6
148.07549	0.9
150.12779	5.6
152.07062	2.6
152.10696	1.5
153.07849	8.6
154.08635	0.6
163.46523	0.4
166.08621	1.2
176.14314	2.7
194.15398	7.8
204.13808	6.8
222.14883	100.0
223.15210	1.6
225.58092	0.5
240.03749	0.4
240.09172	0.7
240.15952	5.1
240.19348	1.3
240.23151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17168	0.2
54.27834	0.2
55.05510	0.9
67.05500	0.5
69.07058	0.7
70.06581	0.5
71.46313	0.4
72.04508	0.9
74.06083	0.5
79.05495	0.9
81.07048	1.3
82.06564	0.4
86.98877	0.2
91.05467	0.4
93.07036	1.0
94.06556	0.5
95.08559	1.2
96.08132	0.4
97.02898	0.3
98.05995	0.2
107.08604	0.9
108.08118	0.8
109.10170	0.4
112.07590	0.5
113.11295	0.2
116.98600	0.4
122.09645	0.7
123.11693	0.3
124.07580	5.4
124.08437	0.5
126.09125	0.6
127.16278	0.3
128.10710	0.4
135.11667	0.6
136.11214	1.9
137.09660	0.3
137.13251	0.6
138.09134	0.7
139.09940	0.8
140.10706	0.6
142.12268	1.0
150.12770	1.3
151.13599	0.8
152.10667	1.6
152.14294	0.3
153.11462	0.5
154.12253	1.4
166.12250	3.7
167.13055	2.0
168.13834	1.0
178.15849	0.3
194.15436	1.5
196.16960	100.0
196.37422	0.3
197.17287	1.2
198.18488	1.2
204.13861	0.2
231.23346	0.3
240.09206	0.8
240.19566	67.4
241.19897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.05512	0.9
67.05506	1.1
67.18651	0.6
69.03428	1.3
69.07057	1.3
71.46943	0.8
79.05491	1.0
81.07070	1.4
82.94566	1.4
88.07664	1.2
89.03939	0.7
91.05486	9.8
92.05817	7.5
93.07043	1.2
95.04974	0.9
95.08630	1.0
96.12626	0.7
98.97574	5.6
105.03411	3.2
105.07053	1.0
107.08588	1.0
116.98607	4.3
119.04955	0.7
120.08163	0.7
120.75961	0.7
121.08440	0.8
128.06213	1.2
129.07001	1.3
131.08553	1.0
133.02856	2.7
134.99687	2.1
141.07007	1.8
142.07791	1.0
143.04909	0.8
143.08551	1.6
147.11708	0.9
152.06209	17.1
153.06966	5.8
157.06502	0.8
157.10159	1.9
158.01324	1.1
159.04404	4.5
165.07004	13.6
165.08383	0.8
166.07780	4.9
167.08577	17.9
167.10724	0.8
167.55548	0.6
169.06488	1.4
170.07253	0.9
171.08086	3.6
171.11749	0.9
176.06207	7.7
177.00783	1.0
177.06992	17.6
178.07741	3.3
179.08572	1.3
180.05696	0.8
181.06499	15.9
182.10495	1.3
185.09641	1.6
185.13199	1.2
187.03899	2.5
194.07254	4.3
195.08054	57.1
196.08372	1.7
198.06810	2.8
199.03979	1.3
199.07558	8.7
205.06465	26.6
206.06900	0.9
209.05965	1.3
213.09073	4.2
223.07539	97.1
223.16975	1.3
224.08305	14.6
226.06218	4.4
240.23175	0.9
241.08591	100.0
241.19547	5.0
242.08972	2.5
242.24995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01872	3.5
55.05509	8.6
57.03431	1.5
60.14988	0.6
63.32896	0.5
67.05505	10.4
69.03415	0.7
69.07060	5.0
70.19328	1.1
70.78119	0.5
71.04990	1.3
73.02905	1.4
79.05491	17.0
81.03408	2.7
81.07050	13.6
83.04965	2.3
83.08612	8.1
83.44344	0.5
85.06508	0.7
91.05472	5.4
93.03410	0.9
93.06445	1.0
93.07042	23.3
95.04951	4.4
95.08600	29.1
97.02880	2.3
97.06516	3.0
98.97592	1.3
99.04443	3.4
99.08053	0.6
105.07024	3.8
107.04955	7.5
107.08585	19.7
109.06518	1.9
109.10168	1.8
111.04415	1.1
111.08069	0.8
113.48022	0.5
115.05415	0.6
117.07021	6.3
118.85661	0.6
119.08569	6.1
121.06488	4.8
121.10143	9.9
125.05981	2.7
128.79015	0.5
130.07762	0.9
133.10100	2.0
135.08083	1.2
135.11687	34.2
139.07536	1.5
143.08624	0.6
145.08981	0.9
145.10120	19.5
163.11179	51.1
164.11514	0.7
173.09538	0.9
181.12215	12.0
209.11778	2.1
227.12762	100.0
228.13135	2.3
241.14267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98650	0.4
56.96569	12.6
58.06602	17.3
69.56008	0.7
69.56395	0.6
70.06596	3.3
71.95258	0.8
72.08140	0.5
81.03436	0.5
84.08142	8.7
85.06545	0.3
87.14819	0.2
92.38763	0.3
98.06071	0.3
98.09684	1.1
98.22661	0.6
98.97585	88.3
99.97922	0.5
100.11231	0.5
101.00883	0.7
106.93559	0.3
108.21960	0.3
114.05573	0.4
116.07003	0.3
116.98626	52.0
118.03545	0.3
119.01957	1.4
126.05520	0.4
126.09161	0.5
128.10712	3.5
134.99661	16.3
137.02971	0.3
140.00191	1.1
144.10210	1.2
153.00708	1.3
156.52795	0.3
158.01253	0.5
161.04099	0.4
168.10228	0.7
172.04565	0.5
174.97714	0.4
177.00887	1.7
195.01698	0.3
196.09712	5.1
200.03995	0.4
200.07741	0.5
201.00885	0.3
201.02516	0.6
213.16040	0.5
214.20164	0.3
216.98763	0.6
218.03053	0.3
218.05107	0.6
218.08807	0.9
219.01930	2.0
234.99876	0.9
240.98642	2.2
241.15465	100.0
242.15808	1.7
258.99765	25.6
259.99957	1.4
261.03052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73648	0.6
56.96567	0.9
57.47623	0.5
60.00009	0.5
61.79719	0.5
64.01447	0.6
64.42697	0.5
67.05488	0.7
69.69283	0.7
69.69604	1.8
71.04984	9.7
71.88314	0.5
72.08157	1.3
83.06101	0.8
84.04488	0.9
84.05621	7.8
84.08118	0.9
85.02886	0.8
86.09689	1.6
90.86577	0.6
98.97565	2.3
109.36662	0.8
112.03709	5.7
113.06055	0.7
114.10271	1.3
114.12948	0.6
115.59441	0.5
116.98604	1.9
124.03967	1.6
126.05481	1.6
127.03963	0.6
134.99649	0.7
153.05225	6.3
154.04991	5.8
171.06210	0.7
181.76447	0.6
183.14923	0.9
184.13319	2.5
196.09613	0.6
198.64130	0.6
224.09091	22.0
224.13913	1.9
242.09981	100.0
242.15054	3.7
243.10207	1.3
243.18192	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62011	0.1
55.04248	0.2
67.05495	0.5
69.34679	0.8
70.06590	9.8
71.08628	0.2
82.06570	0.4
85.06567	0.2
86.23520	0.2
92.45741	0.2
98.23434	0.3
100.07613	40.3
101.07964	0.2
113.06055	0.2
128.07071	100.0
129.07434	0.6
130.08609	0.7
182.11757	0.5
196.16957	0.7
242.13844	0.3
242.17509	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1751
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01644	0.5
55.01873	4.3
55.05494	1.2
57.07064	0.5
62.46735	0.4
67.05488	1.8
68.05013	1.4
68.08013	0.4
69.03409	0.5
69.07056	0.7
70.02944	1.4
70.06590	5.3
71.04989	20.4
71.08629	11.0
71.46130	0.4
79.05505	0.7
80.05002	1.1
80.13312	0.4
81.03427	0.4
81.07056	1.4
82.06559	0.5
83.04940	0.4
83.08640	0.8
86.06061	3.8
91.05453	0.6
93.07018	0.9
94.06554	0.9
95.08605	0.9
96.04507	0.5
96.08122	23.5
97.06528	0.7
98.06036	1.9
98.09061	0.8
98.09689	16.1
99.08088	6.8
108.08100	4.9
109.10149	0.8
112.07587	0.8
120.08114	0.6
122.06022	9.6
124.07567	0.5
125.08347	1.6
126.09175	0.6
126.12820	2.3
136.07561	1.2
139.11185	1.2
140.07059	8.5
151.11171	0.9
154.12292	3.5
178.15897	6.9
196.15149	0.5
196.16949	12.7
206.15407	11.9
224.16434	100.0
225.16771	1.4
242.11794	1.1
242.17508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.1
55.74493	0.1
56.05046	0.1
56.96566	1.4
58.06604	0.5
58.14108	0.1
67.05503	0.1
70.06602	0.4
72.08167	0.4
82.99815	0.5
84.04503	0.6
84.04963	0.1
84.08141	1.0
85.06496	0.1
85.08478	0.1
86.09711	0.7
98.06071	0.1
98.97588	6.9
99.97961	0.2
100.97203	0.3
100.98000	0.3
101.00886	4.9
102.00969	0.2
104.10753	2.1
110.07188	0.3
112.05099	0.8
113.06004	0.1
114.10321	0.2
116.98627	4.4
117.77460	0.1
117.98972	0.2
118.98242	0.2
119.01929	12.7
120.02035	0.4
121.01656	0.1
131.01814	0.1
132.10223	0.3
134.99698	2.2
137.02968	2.1
138.03049	0.1
140.98799	0.7
153.00848	0.5
158.99902	3.2
160.04549	0.1
161.02972	0.2
161.45271	0.1
165.99658	0.2
166.12265	0.1
168.85677	0.1
175.03009	0.5
176.50917	0.1
177.00961	23.9
178.01065	0.9
179.01404	0.1
182.99841	0.8
184.13298	0.2
193.04106	0.3
193.26465	0.1
195.02066	0.2
197.12939	0.2
199.03067	0.3
200.02678	0.2
201.00906	2.7
201.02397	0.3
202.00926	0.3
217.04095	3.8
218.04277	0.2
219.02017	27.9
220.02084	2.1
221.01865	0.3
225.00879	2.3
225.02907	0.2
226.01152	0.1
227.99794	0.1
233.03197	0.1
234.00728	0.4
236.99750	0.1
241.52521	0.1
242.03581	0.3
242.15868	1.2
243.01999	11.6
243.13499	0.2
243.18422	0.7
244.02109	0.4
261.03067	100.0
262.03220	4.3
263.03433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0653
Annotation	Furomollugin
Peak:m/z	Relative Intensity
62.06092	0.7
62.97929	0.8
62.98258	16.6
64.34254	0.4
67.05523	0.5
67.32839	0.4
68.24156	0.3
69.04234	0.4
69.35934	2.0
81.03408	0.7
81.07049	0.8
83.73048	0.4
83.80399	0.4
93.07031	0.4
95.04946	0.8
95.08614	0.4
95.37451	0.3
98.22769	0.6
98.97552	0.4
100.11269	1.3
103.05456	0.5
115.05452	29.5
116.98563	0.4
119.08642	0.5
123.54111	0.4
126.04617	0.4
127.05422	3.2
131.08521	0.5
142.15921	3.5
143.04918	44.8
143.16255	0.5
144.05179	0.5
145.06519	2.8
155.04907	25.1
155.06046	5.1
156.05261	0.5
157.10088	0.5
159.11705	0.5
183.04408	40.1
184.04784	1.0
184.20602	0.6
186.22145	1.2
193.12270	0.7
201.05423	2.5
211.03899	100.0
212.04205	1.5
213.05437	2.8
225.16808	0.5
228.07858	1.2
229.04947	33.9
230.05194	0.6
242.28430	7.8
243.06532	11.5
243.09886	6.1
243.17598	0.6
243.28833	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04787	0.5
56.05031	3.4
57.03424	0.5
58.77531	0.4
67.05498	0.6
68.05024	0.6
69.03433	0.5
69.07072	1.4
70.06590	0.7
71.04978	1.2
76.50328	0.5
79.05514	0.5
79.64818	0.5
81.07046	1.1
83.04974	0.7
84.04502	89.7
85.04823	0.4
85.06508	0.5
86.06123	0.5
86.09704	100.0
87.10046	0.6
91.05465	1.3
93.07034	0.6
95.04966	0.8
95.08591	0.9
96.04480	0.5
97.06552	0.6
99.08110	0.9
105.07012	1.3
107.08575	0.8
109.06543	0.6
109.10165	1.2
113.05991	0.6
113.07128	1.2
119.08592	1.3
123.08086	0.7
126.38110	0.4
129.06598	5.5
132.10202	50.1
133.10141	0.5
137.09547	0.6
141.06578	4.5
145.09927	0.4
147.08054	0.7
152.10663	1.2
161.09627	1.1
179.10722	0.5
197.12849	47.0
198.13133	0.8
207.10402	0.6
207.13794	0.6
208.06808	0.5
225.12555	2.5
238.79768	0.5
243.13416	15.3
243.15672	0.7
243.17987	1.0
243.20651	1.9
244.18867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
54.93071	2.7
55.05508	6.3
57.03424	6.4
58.08651	2.1
67.05496	9.4
69.07056	8.5
69.91444	6.6
71.04990	34.5
72.72794	2.8
78.69955	1.9
79.05505	10.5
81.07069	14.5
83.04978	7.3
83.08598	2.9
84.04501	25.6
85.06529	2.7
86.09708	28.7
91.05476	7.3
93.07059	15.1
95.04417	4.0
95.04977	56.1
95.08607	16.9
97.06535	10.3
99.04461	30.3
99.08102	15.9
105.07033	14.4
107.08594	60.9
109.06531	15.2
109.10168	26.4
111.04417	2.2
111.08079	8.3
115.07600	3.5
119.08603	14.8
120.03893	2.3
121.10150	26.4
123.08032	12.8
123.11687	7.3
125.09634	9.5
127.07553	4.7
129.06606	6.8
132.10184	9.0
133.10103	3.5
135.08075	5.8
135.11719	3.1
137.09644	14.2
137.13271	2.8
141.09087	4.7
145.10091	4.1
147.08072	2.5
147.11687	20.6
149.09624	21.5
151.11197	6.3
153.09113	18.3
155.10706	5.9
156.09296	2.5
161.09624	2.6
161.13252	10.7
163.64771	2.3
165.12740	9.9
167.10703	4.8
169.12234	9.6
171.10168	8.8
171.11578	3.4
179.14313	5.2
189.12814	11.3
197.12894	19.8
207.13802	10.2
225.14818	12.7
243.13727	3.8
243.15904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1591
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03946	4.0
53.13450	1.4
55.01870	6.1
55.05511	25.0
57.03445	3.0
57.16251	1.6
59.05002	20.4
61.02921	2.9
66.18188	1.5
67.05502	50.2
68.66653	1.3
68.99784	2.7
69.03422	3.6
69.07063	15.0
70.45326	3.6
71.01350	2.5
71.04991	42.7
73.06563	2.6
74.01766	1.5
79.05489	46.0
81.03413	31.7
81.07054	59.3
83.04979	17.7
83.08620	16.5
85.02918	2.4
85.06536	10.3
87.04456	7.8
91.05476	55.6
92.33127	1.5
93.07042	32.7
95.04961	14.9
95.08609	21.7
97.06522	17.2
97.10158	1.7
98.09808	1.6
99.08076	3.9
103.05500	1.5
105.07032	35.4
107.04948	6.0
107.08588	39.4
109.06519	11.4
109.10159	3.5
109.65570	1.4
111.04444	3.3
111.08083	10.0
113.06020	6.4
115.05470	2.1
117.07018	1.8
119.08575	29.1
121.06491	2.5
121.10146	29.1
123.08071	8.0
123.11676	4.3
125.06016	1.7
127.07528	2.6
128.06212	1.9
129.06990	12.8
131.08562	27.8
133.06496	1.7
133.10127	37.8
135.08060	2.6
136.13037	1.7
137.09584	3.0
141.13873	6.1
142.07796	3.0
145.10123	2.3
147.08099	4.1
147.11676	46.6
149.09615	36.2
150.09964	1.7
151.11197	4.0
157.10126	27.4
159.04446	2.9
165.09131	2.2
165.12695	8.7
167.10654	6.5
175.11185	26.3
179.14354	3.6
181.12401	1.8
187.03886	3.3
193.12241	38.9
197.15370	25.3
199.13289	7.2
207.13808	2.2
211.13293	25.6
225.14833	100.0
243.10187	5.5
264.08035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09414	0.4
55.01877	0.6
55.05510	5.4
57.07078	0.7
59.77460	0.4
60.05645	0.9
67.05502	8.2
69.03425	0.4
69.07053	2.8
69.79374	0.8
69.79713	0.6
70.06589	1.8
71.04979	2.5
72.08153	27.1
73.04044	0.7
75.08582	0.4
79.05536	0.5
81.07044	1.2
84.04506	2.4
85.06536	2.8
86.09701	2.5
87.52834	0.4
95.04963	7.7
97.07651	5.4
98.06055	9.6
98.97587	0.6
100.07580	0.5
112.07587	3.2
113.06000	6.0
114.10287	17.9
115.08688	7.0
124.07580	1.7
126.21134	0.4
131.12915	1.4
132.10196	1.4
140.08170	1.7
141.06589	0.6
142.08643	1.3
152.23500	0.4
153.13852	0.9
154.12260	0.8
158.09227	3.1
163.39005	0.4
165.13852	1.1
166.12268	5.3
183.13397	0.8
183.14923	10.1
184.13321	30.7
185.13866	0.4
197.12817	1.8
199.97037	0.4
201.15971	1.8
208.14417	3.3
209.12863	10.7
209.14864	0.6
223.06432	0.4
225.12288	0.4
225.17133	0.8
226.15515	3.9
243.18150	100.0
244.18346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44405	0.5
55.05512	5.7
57.07074	22.2
59.06122	3.2
60.04522	0.6
67.05494	1.3
69.07062	1.3
71.06107	1.4
72.08178	0.7
81.07054	1.0
83.08617	4.5
85.06542	4.2
86.09701	16.6
88.14963	0.4
93.07000	0.5
95.08613	0.7
100.11260	4.6
102.09177	5.8
102.29789	0.5
114.09155	1.9
114.10296	1.0
114.12797	4.8
119.08544	0.8
123.38000	0.5
128.10713	1.0
131.08443	0.6
134.50536	0.5
139.55420	0.6
141.13861	100.0
142.12268	8.5
142.14175	1.1
143.08490	0.8
145.10152	0.5
155.08678	0.5
159.14946	1.9
172.98396	0.5
174.28815	0.5
184.16969	16.1
198.18539	8.6
201.13876	1.0
215.21184	33.8
216.21532	0.7
225.19603	10.4
243.10132	0.9
243.13785	0.7
243.17531	2.0
243.20749	7.0
243.24792	0.6
244.14453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.07072	2.4
60.05642	1.5
61.35118	0.3
61.35501	0.3
66.14080	0.3
67.05479	0.6
69.07047	0.5
69.61744	0.4
70.21445	0.4
70.21777	0.7
72.08156	26.3
73.04028	0.8
81.07063	0.5
84.08134	2.5
85.10181	7.9
86.43356	0.3
93.07043	0.6
95.08598	1.6
97.07660	5.0
98.06036	1.1
102.09163	1.1
105.07034	0.4
106.15639	0.3
113.09649	16.4
114.10291	26.2
114.81178	0.4
115.08701	5.4
119.08596	0.4
123.97738	0.3
124.07576	0.4
128.29512	0.3
130.08661	2.5
130.12280	3.0
131.04897	0.4
131.12918	0.6
142.12291	1.8
147.11691	0.5
159.11613	0.4
183.18568	16.4
184.16965	47.4
185.17264	0.4
195.34210	0.4
201.13870	0.6
201.19633	1.9
202.63477	0.4
226.19145	24.0
231.00383	0.4
243.10197	1.0
243.21800	100.0
244.22072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.04564	3.6
69.07068	0.8
69.48305	1.3
69.48692	1.1
70.06577	1.0
71.08635	9.4
72.08161	34.6
74.07202	1.4
81.07070	1.1
86.09708	2.8
93.07036	0.6
95.08622	0.6
97.07664	1.4
98.06077	0.9
98.97591	1.6
99.08102	18.4
112.11275	2.5
114.10298	8.5
115.08703	2.0
116.10738	3.6
116.98619	0.9
128.10716	3.8
128.11845	4.8
129.10246	8.3
130.08656	3.1
157.08807	0.5
161.09639	0.6
169.15543	0.8
169.17018	18.1
170.15414	69.4
171.15802	0.6
175.93396	0.5
187.18065	10.6
204.78273	0.5
212.17566	10.9
213.77661	0.5
226.19144	9.4
230.33464	0.9
243.09137	0.8
243.21823	100.0
244.19246	1.1
244.22063	1.5
251.62251	0.6
262.31409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
56.32804	0.2
58.06607	0.4
61.73822	0.2
69.03429	0.3
70.06596	8.7
71.04984	0.3
71.44175	0.2
71.44559	0.3
81.07075	0.4
82.06578	0.2
82.54498	0.2
83.08643	0.3
84.08147	1.6
86.06071	6.5
86.09706	0.4
91.05492	0.3
94.76892	0.2
99.08090	0.3
107.08559	0.4
112.07611	22.1
130.08647	100.0
131.08974	0.6
149.09622	0.2
180.73640	0.2
182.15450	1.1
182.76353	0.2
191.10680	0.4
200.16518	2.1
208.17046	0.5
209.11664	0.6
221.00972	0.2
226.18053	0.4
227.12805	0.3
231.77518	0.2
244.19092	23.7
245.19391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
55.01870	20.8
55.05507	19.1
57.03436	6.3
67.05509	18.9
69.03426	9.3
69.07065	16.2
71.04995	9.1
79.05504	13.6
81.07064	17.6
83.04990	7.9
83.08607	7.9
85.06534	9.9
86.09686	17.0
91.05495	6.2
93.07041	33.9
95.04963	6.9
95.08598	19.4
97.06532	10.9
97.10149	9.5
99.04455	7.8
105.07022	20.0
107.08594	48.6
109.06525	9.7
109.10203	4.6
111.08093	4.8
112.02026	3.3
113.05991	5.2
114.10317	6.8
117.07030	6.5
119.08615	7.5
121.06470	5.2
121.10169	18.6
123.08060	4.4
125.09635	11.2
129.07028	3.5
131.04936	6.2
131.08566	6.9
135.08009	5.9
135.11737	7.3
143.08557	5.6
145.10100	15.2
147.11697	3.6
149.09637	7.4
151.07532	7.1
157.10178	5.1
163.11176	29.8
167.10703	13.9
169.08597	100.0
170.37239	3.4
173.68810	4.0
181.12254	26.0
185.11769	6.2
189.11234	7.2
191.10635	12.6
199.11140	3.2
202.14165	14.8
209.11734	11.7
209.13518	3.7
227.12723	29.1
227.18082	4.7
245.04471	11.3
245.13817	10.8
245.18970	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05519	0.4
56.05030	0.3
56.96558	0.5
57.03430	0.4
57.05812	0.3
58.06591	0.4
63.04362	0.2
67.05488	0.6
69.07066	10.7
70.06584	0.6
70.58672	0.3
71.04987	0.5
72.04543	0.2
72.08141	0.7
72.93809	0.3
74.95459	0.2
78.88186	0.2
79.05468	0.3
80.05011	0.2
81.07066	0.3
83.04971	0.4
83.08613	0.1
84.04508	0.1
85.02903	1.5
85.06532	0.2
86.09701	100.0
87.10036	0.6
90.94827	0.5
91.05472	0.6
93.07047	0.3
95.04965	0.2
95.08598	0.4
97.06564	0.2
98.06041	0.2
98.97596	0.4
105.07009	0.3
107.04984	0.2
109.06499	0.2
113.06057	0.2
115.03889	0.2
116.98637	0.5
129.07063	0.2
131.08607	0.2
132.10188	2.4
134.99698	0.4
142.03203	0.7
149.96217	0.3
171.03304	0.6
172.97586	0.2
184.13318	0.2
185.16495	0.3
186.14926	1.3
189.04391	0.7
196.55757	0.2
199.18076	1.0
200.44998	0.2
209.11734	0.3
210.14948	0.6
228.15805	0.9
243.22476	0.2
245.13309	0.3
245.18739	4.2
246.16975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
57.03440	0.2
67.05495	0.3
69.03428	0.2
69.07059	1.9
70.05753	0.4
70.06584	0.8
71.04988	0.5
72.08152	0.4
72.93783	0.2
74.02366	0.2
80.04978	0.2
81.07037	0.3
83.04966	0.3
84.04509	0.2
85.02825	0.2
86.09699	100.0
86.27453	0.2
87.10028	0.6
90.94814	0.3
91.05473	0.2
93.07041	0.3
95.08593	0.3
105.07014	0.4
107.08572	0.2
116.07070	0.3
121.10099	0.2
123.08040	0.2
126.95457	0.2
129.94276	0.2
130.08597	0.2
132.10193	2.8
134.08121	0.3
136.07564	0.2
142.03195	0.4
149.96075	0.3
158.46965	0.2
163.11226	0.3
164.83871	0.2
167.97050	0.2
172.97717	0.3
179.94888	0.2
186.14906	0.4
191.10739	0.3
199.18048	1.4
210.14937	0.6
228.15970	0.6
229.29019	0.2
245.13615	4.7
245.18442	5.8
246.07324	0.2
246.17036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
55.93519	0.5
56.05025	0.8
57.03428	0.6
57.07054	0.5
59.19758	0.5
60.05635	1.0
60.08158	0.9
66.17809	0.4
67.05487	1.5
69.07065	6.4
69.56004	1.0
69.56385	1.3
70.06574	2.5
71.05003	0.7
71.08649	0.5
72.08154	24.6
72.93805	1.3
73.06548	1.8
79.05495	0.7
81.03423	0.5
81.07038	0.8
81.22018	0.5
83.04984	1.6
83.08613	0.7
84.08156	0.8
85.02903	10.4
85.06542	0.6
85.97977	0.4
86.06046	0.9
86.09704	56.4
87.04465	0.6
90.94829	0.7
91.05519	0.6
93.07069	1.1
95.04974	0.6
96.08160	0.5
97.06537	1.6
97.07635	3.1
98.06063	4.4
99.09216	0.4
100.07616	1.1
107.08620	0.6
109.06574	0.5
114.09183	1.9
114.10282	6.7
115.08680	3.3
116.10729	1.0
126.09170	1.2
127.03933	0.5
131.08551	0.8
131.12950	1.0
132.10187	2.8
140.08183	0.9
140.14322	0.9
142.03218	0.8
144.10213	1.3
145.75266	0.5
149.06050	0.4
149.09512	0.5
149.96143	0.8
167.10677	0.5
167.15445	7.2
167.97173	0.7
168.13821	4.4
172.97701	1.3
182.16571	1.8
184.13278	0.9
185.16490	9.9
186.14891	51.2
187.09642	1.9
191.10655	0.7
199.12263	1.5
199.18074	1.9
203.17552	1.6
210.14809	0.9
211.14455	4.2
224.34055	0.4
227.11787	2.6
228.17398	4.0
245.12924	2.0
245.19748	100.0
246.17017	6.6
246.19580	0.7
261.92926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03320	0.4
55.02980	0.5
55.05512	1.9
56.96569	0.5
60.05639	1.1
67.78532	0.4
69.07064	17.6
69.77016	0.4
70.06594	0.7
70.75613	0.8
71.08618	0.5
72.08150	33.5
73.06544	2.1
74.74261	0.4
79.05479	2.0
84.04494	0.9
84.08103	0.6
89.10786	0.7
97.06538	4.5
97.07645	7.1
98.06042	4.3
101.53746	0.4
106.44107	0.4
114.09179	2.7
114.10280	25.6
115.07561	5.9
115.08676	9.5
124.07611	0.7
126.09145	3.1
126.82830	0.5
131.12874	0.8
167.15399	2.5
168.13823	11.4
185.16492	7.8
186.14891	27.1
203.17523	1.7
210.15994	10.3
211.14410	9.8
211.16306	0.9
222.04448	0.5
227.18570	0.6
228.17082	5.1
240.01221	0.4
245.19713	100.0
246.20047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
55.03000	0.4
55.05504	5.1
56.05039	0.4
58.06568	0.4
60.05643	0.9
67.05500	0.6
69.07063	8.4
69.95892	0.4
69.96214	1.0
70.06590	1.5
72.04508	1.0
72.08150	23.6
72.93796	2.0
73.04018	0.5
73.06546	1.6
81.07043	0.7
82.06518	0.5
83.04964	0.5
83.08604	1.0
84.04490	1.4
84.08123	0.6
85.02888	0.9
86.09698	0.7
88.58607	0.4
90.35360	0.4
90.94811	1.6
96.08142	0.6
96.86219	0.4
97.06533	4.8
97.07638	5.3
98.06040	8.5
111.05563	1.3
113.10777	4.8
114.09159	8.9
114.10276	17.7
115.03931	0.7
115.08678	6.3
115.43335	0.4
119.01871	0.5
126.09145	6.9
130.06474	0.4
131.12881	0.9
140.08179	5.1
140.10663	0.5
149.96123	1.8
153.26709	0.4
156.11310	6.0
161.02898	0.5
167.14127	0.8
167.15433	10.3
167.97153	1.7
168.13820	21.8
172.56377	0.4
172.97661	1.5
173.13977	2.5
185.16510	1.3
186.11287	0.7
186.14886	19.3
190.98724	0.5
203.17516	2.2
210.15996	17.7
211.14420	1.0
227.13820	0.8
227.18686	1.5
228.17030	3.5
245.09290	1.2
245.19717	100.0
246.07481	1.9
246.20009	1.5
257.04849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1452
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
52.50372	1.7
55.01877	1.9
55.05525	4.0
56.05049	1.9
56.96570	34.8
56.96841	2.9
57.03448	4.0
58.06607	3.3
60.04519	2.5
60.05656	3.2
67.05515	21.3
68.05039	3.4
69.03423	2.1
69.07074	59.4
69.75860	2.9
69.76213	4.8
70.02962	16.7
70.06605	11.9
70.07410	6.5
72.08160	41.3
73.02932	4.4
73.04054	2.2
73.06566	5.1
73.08483	8.8
75.05628	3.3
79.05505	2.1
80.05032	3.2
82.06595	2.6
84.04517	5.4
84.08150	52.0
85.04041	17.3
85.06538	2.0
86.06095	3.3
86.09713	100.0
87.05600	72.2
87.06426	2.3
88.03994	3.8
95.04973	35.2
96.04549	2.5
96.08139	3.6
97.06552	6.3
97.07694	2.2
98.02414	16.8
98.06079	13.7
98.06905	1.8
98.22798	3.4
98.97614	9.0
99.06395	4.4
100.07635	6.5
101.10812	1.7
104.99300	3.3
110.02410	62.6
110.09692	1.7
112.04066	1.6
113.06032	3.9
113.10777	44.4
113.11526	2.8
114.09228	3.1
114.10311	9.3
115.05067	2.5
115.07596	4.5
115.08727	11.1
115.10672	7.7
116.07135	8.4
116.07879	2.0
116.09072	6.8
116.98671	5.9
117.54987	1.9
120.08127	2.1
124.03944	14.5
129.10248	14.5
130.05032	3.4
130.08670	10.2
132.10208	22.7
134.08183	5.7
134.99677	3.8
138.09158	5.4
141.10234	81.5
143.11809	29.6
147.11308	12.7
155.11848	8.5
156.13896	8.2
159.03314	3.3
166.08649	82.2
168.13837	2.6
169.08574	1.8
169.09709	8.4
169.14229	4.8
171.11328	6.9
174.04065	5.0
175.11942	4.6
177.04312	5.4
179.05794	3.0
183.11302	12.7
184.09900	1.8
186.07733	6.1
186.14917	5.7
186.16873	4.8
187.10802	62.0
187.12395	3.7
187.15247	13.1
197.06911	2.6
200.13985	27.8
202.14465	5.2
211.10855	8.2
211.16441	5.3
212.09192	88.3
212.14732	8.8
221.03290	4.0
222.04413	4.4
223.04753	11.2
228.12253	52.7
229.11835	49.4
229.15390	2.9
241.05824	9.6
245.19843	3.0
246.07442	44.5
246.09772	3.3
246.13492	5.2
246.15335	8.8
246.17772	7.1
246.20157	70.5
246.24268	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0601
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
51.02379	1.0
55.01867	5.3
55.05517	4.9
57.07068	4.9
67.05490	3.8
69.07037	1.1
70.06593	6.0
70.07692	2.0
71.08614	1.9
77.03912	1.3
79.05483	5.4
81.07052	2.3
83.04951	4.4
83.08631	1.1
88.07629	9.4
91.05492	9.5
93.07011	3.2
95.04959	1.8
95.08607	2.5
97.02904	1.2
98.23351	1.7
100.96003	1.1
102.09141	2.2
103.05463	57.4
104.99274	1.4
105.07027	14.3
106.08634	6.6
107.08578	2.5
109.10123	2.3
115.05450	79.1
116.06216	2.5
117.03298	1.9
117.07014	46.9
118.06554	7.5
119.04893	2.3
119.06862	1.2
119.08545	4.5
121.10096	2.4
123.04443	1.3
128.06181	1.2
129.06888	1.7
130.04100	2.4
131.04922	100.0
131.08534	3.1
132.08054	3.0
133.06496	9.4
133.10065	2.2
135.04405	38.6
143.04913	35.5
144.05650	2.3
145.02792	1.1
145.06477	37.8
145.10085	2.9
146.09584	3.2
147.04413	2.0
147.11610	1.7
149.02249	3.6
151.03870	1.1
155.04980	1.9
155.06006	3.1
158.03676	2.3
159.04404	89.9
159.11650	1.4
160.04994	1.2
161.05975	40.8
161.13170	1.2
171.04361	12.7
173.05971	55.7
173.13156	2.0
174.06705	2.1
175.03839	3.0
175.07491	4.1
176.14333	44.3
177.14696	12.7
185.05965	31.2
187.03894	32.4
188.04594	4.3
189.05484	19.2
191.06944	2.5
199.03796	11.6
199.67241	1.0
201.03880	1.4
201.05461	15.2
201.16254	1.2
203.03418	11.5
205.04851	1.8
211.15181	1.0
217.04944	40.2
219.06386	2.4
228.23122	2.9
229.02705	2.2
229.04938	26.9
229.15878	1.9
246.22047	75.9
246.24261	43.1
247.05917	39.8
247.13051	1.5
247.16940	8.0
247.19865	2.0
247.22388	32.5
247.24590	12.3
260.09488	1.1
260.12512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1325
Annotation	antrocamphin A
Peak:m/z	Relative Intensity
51.09320	0.3
67.18764	0.2
70.08075	0.8
75.04466	0.8
78.48216	0.2
79.05499	2.4
79.28201	0.2
81.07046	1.2
84.29159	0.3
85.02901	0.2
91.05466	0.9
93.07019	1.0
97.75226	0.3
98.19530	0.3
105.04498	0.3
105.07040	0.6
115.05449	0.8
116.06229	0.4
117.07001	1.2
119.08553	0.5
120.15745	0.3
125.05979	0.3
128.06180	1.4
129.07001	1.8
130.04068	0.3
130.07764	0.4
131.04903	1.1
131.08534	0.6
133.06471	0.4
141.06966	2.0
142.07793	0.8
143.04907	0.5
143.08548	3.2
144.05711	1.1
144.09344	0.3
145.06497	3.8
145.10104	2.0
146.07245	0.7
147.04420	0.8
147.07947	0.3
148.05228	0.3
151.07532	0.9
153.05440	1.0
153.06912	0.5
154.06221	0.4
154.07764	0.3
155.06027	0.5
155.08530	1.9
156.09357	0.4
157.06479	2.4
157.10068	0.7
158.07262	5.7
159.04445	0.4
159.08051	2.4
160.05220	1.3
161.05984	2.1
161.09586	1.0
162.06712	0.3
163.07562	0.3
166.06255	0.4
167.07016	1.4
167.08328	0.4
168.07796	1.3
169.06445	1.9
170.07219	1.1
171.08035	4.4
172.08817	2.6
173.05986	0.8
173.09613	20.8
174.06781	2.8
175.03830	0.4
175.07535	4.2
176.04712	0.6
176.08310	0.3
177.09081	0.3
181.08623	0.6
183.08002	0.6
183.09386	0.4
184.08762	0.6
185.06001	2.8
185.09613	4.6
186.06741	1.6
186.10384	2.1
187.07533	2.0
187.11182	3.1
188.08319	3.9
188.11914	0.3
189.05426	0.9
189.09087	8.0
190.06161	1.0
191.07028	7.6
199.07535	1.9
200.08357	2.0
201.09096	49.1
202.06268	0.7
202.09807	2.3
203.07040	4.7
203.10643	3.3
204.07729	2.0
205.08614	2.0
206.09407	1.5
213.09001	0.4
214.09901	2.2
215.06979	0.5
215.10664	3.8
216.11447	89.3
217.08595	21.8
217.11871	4.1
218.09335	2.8
219.08124	0.5
219.10141	4.4
219.13605	0.4
231.10136	1.2
232.10927	17.5
247.13281	100.0
248.13589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	antrocamphin A
Peak:m/z	Relative Intensity
56.10279	0.6
59.76733	0.6
69.07069	0.6
69.14041	3.5
75.04479	1.5
79.05521	1.6
88.04855	0.5
91.05480	1.0
93.07047	1.1
98.22836	2.0
104.99296	3.6
105.07034	0.6
113.00616	0.6
115.05447	1.3
117.07027	1.3
128.06216	0.8
129.06996	2.9
131.04910	1.2
131.08560	0.9
132.05711	0.6
141.06993	1.7
143.08562	2.6
144.05721	1.4
145.06485	3.2
145.10114	1.9
146.07248	1.0
148.73053	0.7
153.05484	1.6
155.06021	0.7
155.08536	1.5
157.06496	1.6
158.07301	5.4
159.08043	1.7
160.05185	1.2
161.05980	1.6
161.09650	1.0
167.07042	1.5
168.05684	0.7
168.07845	1.8
169.06485	2.0
170.07245	1.2
171.08064	4.2
172.08833	2.2
173.05971	1.3
173.09624	19.1
174.06789	2.5
175.07568	4.4
177.80589	0.6
184.08934	0.7
185.05971	2.7
185.09607	4.6
186.06763	1.5
186.10371	1.1
187.07549	2.5
187.11128	2.7
188.08334	3.2
189.09094	6.8
190.06210	0.8
191.07042	5.6
199.07535	2.0
200.08360	2.6
201.09108	44.7
202.09851	2.1
203.07004	4.0
203.10677	3.6
204.07790	1.9
205.08559	1.9
206.09306	1.1
214.09914	2.2
214.46915	0.5
215.10655	4.2
216.11462	80.9
217.08614	22.2
217.11916	4.3
217.27592	0.7
218.09358	2.0
219.08284	0.7
219.10126	3.4
232.08745	1.2
232.10954	16.8
247.08041	3.3
247.13298	100.0
248.13574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Preeupatundin
Peak:m/z	Relative Intensity
53.03938	0.8
53.24673	0.7
55.01859	3.5
55.05499	3.4
65.03947	1.5
67.05509	10.0
69.03414	2.9
69.07060	2.5
71.04986	1.5
71.45895	1.2
75.07296	0.8
75.84040	0.7
77.03939	0.8
77.12752	0.8
79.05493	14.1
81.07056	12.4
83.04959	1.9
84.26029	0.9
85.06532	1.2
86.09692	1.1
91.05479	19.6
93.07040	12.5
95.04977	11.8
95.08601	4.8
97.02974	0.8
97.06532	11.0
103.05466	3.5
104.99280	1.4
105.07027	40.8
105.07745	1.9
107.04974	6.3
107.08588	6.8
109.06509	5.1
109.10152	0.9
111.08069	0.8
115.05446	3.8
116.06216	1.8
117.07028	16.6
119.04934	2.4
119.08581	11.5
121.06499	7.1
123.04423	1.1
123.08072	2.4
128.06218	6.9
129.07002	12.7
130.07791	1.3
131.04922	2.0
131.08563	26.2
132.05666	0.8
133.06477	17.7
133.10152	5.5
135.08047	6.5
137.05968	1.7
137.09560	1.4
141.06996	12.6
142.07794	7.6
143.04970	0.8
143.08557	14.0
144.05742	1.0
144.09366	1.7
145.06470	8.3
145.10124	14.3
147.08034	8.3
147.11713	5.5
148.08760	2.1
149.05971	2.0
149.09607	4.7
151.07527	15.8
153.06987	6.6
154.07732	2.9
155.06047	1.6
155.08546	16.6
156.09258	0.9
157.06464	1.1
157.10126	16.6
158.07185	1.3
158.10847	1.5
159.08061	14.5
159.11693	19.7
160.08839	1.4
161.06020	1.6
161.09601	3.5
162.10399	1.4
163.07529	2.4
165.07042	1.0
166.07825	1.0
167.08548	2.4
168.09349	11.1
169.06468	1.0
169.10106	3.6
171.08055	3.6
171.11737	1.0
172.08810	1.4
173.05949	4.0
173.09639	9.4
173.13260	14.0
175.07545	1.0
175.11169	25.2
177.09074	1.7
178.07710	1.7
181.06490	1.4
181.10088	2.9
183.11690	26.5
185.09702	2.1
185.13232	1.2
187.07538	4.7
187.11212	6.2
189.09129	1.0
191.10719	1.6
193.10168	5.4
193.11890	0.9
196.08807	3.4
197.87823	0.9
201.09093	3.9
201.12730	38.1
201.16432	3.2
203.14334	1.5
205.08585	1.9
205.12271	1.0
211.11194	8.9
219.13800	2.4
229.12228	31.2
229.15681	1.4
247.13284	100.0
247.17149	2.9
248.13684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03950	2.0
55.05511	60.9
59.28886	0.5
67.05520	0.9
71.46474	0.4
79.05495	1.1
81.07062	0.8
83.04981	100.0
84.05317	0.7
91.05486	4.0
93.07047	0.9
98.34900	0.4
98.98479	0.5
101.06020	0.9
104.99271	14.8
105.07008	0.9
106.00736	0.5
107.04944	1.4
107.08583	1.0
109.10130	0.9
116.81572	0.4
117.07026	2.0
119.08575	15.2
121.10159	0.5
123.09984	0.5
129.07010	1.0
132.05727	2.7
133.10123	0.5
147.08046	43.2
159.11708	0.6
201.09073	0.5
229.19371	0.5
246.24315	0.5
247.07550	0.8
247.13193	2.9
247.16924	1.1
247.20612	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	2.0
59.07370	1.5
60.05634	0.9
60.08158	0.8
70.06590	18.6
71.05004	1.7
71.47354	0.4
72.08144	1.0
73.26080	0.3
73.28682	0.3
77.74827	0.3
84.04511	0.5
86.09708	1.4
88.03963	0.3
88.07624	0.5
98.73050	0.3
104.10739	26.4
105.11076	0.4
112.07554	0.4
112.08723	9.6
118.08647	100.0
119.08967	0.7
123.95481	0.3
130.09760	29.0
131.12900	0.7
140.04919	0.3
247.04523	0.3
247.17822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.7
60.05638	2.5
69.51775	0.5
70.06587	1.0
70.51395	0.8
72.08153	6.2
77.84840	0.5
82.99441	0.7
82.99870	2.3
83.84827	0.5
84.08137	1.7
86.09715	1.1
91.05478	1.2
93.07036	2.7
100.02484	4.5
101.00874	29.6
103.05459	13.7
105.13706	0.6
114.10293	2.3
116.37937	0.6
116.98605	0.7
118.03516	26.6
118.08657	19.6
118.54776	0.6
119.01913	100.0
120.01999	1.2
120.08097	66.0
129.10289	0.7
130.03485	1.8
130.06526	2.5
131.04929	4.3
131.12907	11.7
136.04575	5.4
137.02948	27.3
142.03496	1.1
156.01352	1.0
160.06050	4.2
174.02484	2.0
178.07135	3.4
179.05482	1.5
188.05544	1.0
202.07121	18.5
203.05537	6.1
205.07170	0.8
206.06645	5.0
207.05028	0.6
220.08191	5.2
221.06598	21.6
222.06767	0.9
224.07646	1.0
230.06596	3.9
231.04996	2.2
238.09224	0.8
239.07640	4.4
248.07655	47.6
249.06023	11.8
249.08247	1.0
266.08716	33.6
267.07065	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	33.7
58.06584	1.0
60.05640	2.1
70.06592	1.9
71.95262	1.3
72.08169	3.8
72.17538	0.7
72.96046	1.3
73.51483	0.6
74.06102	0.7
84.08138	2.9
85.02905	0.8
86.06041	0.9
86.09712	7.1
96.87857	0.7
98.97591	100.0
112.00735	0.9
112.08712	1.1
114.10313	1.2
116.00259	1.7
116.98629	43.9
118.08669	19.8
118.54649	0.6
119.01938	0.9
119.09081	1.0
126.02289	1.1
130.01773	1.1
130.08719	1.0
130.09758	1.4
131.12952	6.7
134.01305	1.3
134.98683	1.3
134.99669	12.8
140.03859	3.3
142.05391	2.9
144.03302	0.8
149.20190	0.6
158.01270	0.6
158.04903	2.9
160.06465	5.5
170.04926	2.2
171.03271	2.8
176.09229	1.6
178.07623	1.0
187.87048	0.8
188.05968	3.5
189.04335	10.6
202.07545	0.9
204.12354	2.8
206.01564	1.2
206.07016	7.6
207.05417	4.5
224.02664	3.0
224.08069	7.4
224.54575	0.9
230.07019	37.7
230.13715	1.0
231.05371	3.1
248.04068	1.6
248.08086	61.9
248.14882	3.4
266.09052	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.4
55.05511	5.3
57.03435	8.8
57.07071	3.4
58.99581	3.8
61.01152	3.1
62.99073	2.4
67.05500	21.5
69.07066	3.3
70.51691	0.8
70.93966	0.4
71.04988	1.8
71.08628	6.2
76.02229	10.9
77.00625	1.6
79.05483	1.7
81.07055	3.9
83.04982	0.7
83.08621	2.8
85.01096	0.6
85.06532	0.8
86.99038	2.7
88.02232	0.4
89.00610	13.5
91.02179	0.5
97.10169	5.3
99.02679	0.7
99.08087	3.0
101.04269	0.6
103.02161	0.7
105.00095	5.7
107.08591	2.0
107.88205	0.4
109.07127	0.3
109.10152	15.2
122.02722	58.9
126.16727	0.4
127.11189	36.6
128.11516	0.5
159.08382	100.0
160.08662	1.1
184.11574	0.4
202.12589	1.6
230.12093	0.6
231.10315	0.6
248.13103	6.7
250.46458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1647
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.01871	1.5
55.05511	1.2
59.05002	0.5
63.71744	0.2
67.05486	0.5
69.03437	0.3
69.06711	0.3
69.07067	5.4
69.42106	0.4
69.42509	0.8
73.02917	5.1
73.06551	3.4
79.05453	0.3
79.07682	0.2
80.05021	0.4
81.03419	0.2
85.02890	0.4
91.05464	0.6
92.05035	0.2
93.05767	0.3
93.07049	0.4
97.02882	0.2
97.06544	0.4
106.06535	0.2
107.08592	0.6
115.05419	0.3
117.05782	0.2
117.06998	1.4
118.06530	6.1
119.07317	7.0
127.03914	0.3
132.08124	0.6
134.09645	57.3
135.09949	0.7
159.08377	0.9
160.11176	0.4
174.09167	0.2
176.14314	0.6
195.10075	0.3
230.15428	0.2
248.16438	100.0
249.11247	0.3
249.16800	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.4
69.03417	0.5
69.07073	0.2
69.43182	1.0
70.65721	0.2
73.02906	0.3
79.05479	0.3
79.23789	0.2
81.03403	0.4
81.07046	0.2
85.02895	0.5
91.05482	0.3
97.02923	0.2
109.02882	0.3
118.06541	4.2
119.07363	0.2
120.08044	0.2
131.08603	0.3
132.08054	2.3
132.08951	0.3
133.08812	0.5
134.09650	2.6
144.08163	0.3
146.09630	1.6
154.02156	0.2
160.11243	0.4
174.12808	1.2
176.14342	11.9
190.08620	10.4
191.09383	0.3
202.15898	2.0
203.16632	1.1
204.10187	5.1
205.10986	1.8
206.11719	0.2
218.09793	0.4
218.11745	3.9
232.13280	0.4
242.07820	0.2
248.16447	100.0
249.14789	0.2
249.16806	1.9
255.41927	0.2
257.99890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66965	0.4
51.81380	0.4
58.06591	2.0
59.07356	2.0
60.05647	12.2
61.44059	0.4
68.36431	0.4
69.66531	1.8
71.00932	0.4
72.08151	25.2
76.94585	0.4
85.02908	0.5
89.81734	0.5
94.93010	12.3
97.07651	1.1
98.97549	0.7
104.10737	2.5
105.11085	1.8
114.10287	11.3
118.08649	100.0
119.08986	1.8
128.61394	0.4
130.09772	0.5
131.12921	65.2
132.10201	8.0
132.13252	0.8
136.00568	0.4
147.84106	0.5
179.69479	0.4
206.88603	3.8
212.64067	0.4
247.91211	0.9
248.20827	1.9
248.89647	3.8
249.03839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	7.3
59.05015	1.5
59.07378	5.0
60.05648	6.7
62.70108	1.6
64.73785	1.7
66.17141	1.6
70.06593	5.1
70.27825	1.7
71.03868	3.0
71.06938	2.8
72.08157	17.5
80.90163	1.5
94.93013	25.6
94.93586	1.9
98.97539	2.3
104.10744	11.2
105.11062	8.1
114.10285	5.7
118.08653	84.1
119.08999	22.1
120.09157	2.7
130.09750	3.7
131.10187	2.8
131.12932	40.2
132.10204	100.0
132.11111	3.6
132.13339	3.4
133.03439	1.9
150.92018	2.0
159.05092	2.2
187.04385	2.0
188.94070	2.2
201.00079	1.7
206.88614	5.3
216.57840	1.6
233.70769	1.8
248.89709	7.1
249.03799	11.3
249.08026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52344	14.3
56.96560	26.6
62.51494	15.7
70.05215	41.7
70.38440	13.8
70.98114	30.7
72.22032	13.7
98.97590	44.6
116.86802	13.8
118.08617	66.0
127.03954	13.1
131.12923	19.2
132.10211	50.1
146.99625	25.7
148.00655	13.5
156.98187	13.4
161.02843	16.5
165.00700	19.9
176.09151	13.9
189.00700	38.2
204.12286	21.0
205.12573	19.6
207.01712	29.3
231.14108	20.8
249.01422	17.0
249.03729	100.0
249.15347	19.1
257.99011	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	1.5
58.06594	5.1
59.07380	5.2
60.05659	6.5
72.08154	15.4
85.36221	1.2
91.12660	1.3
94.93024	25.1
98.97584	5.5
101.48122	1.3
104.10760	6.2
105.11101	3.8
105.31699	1.3
109.81400	1.2
114.10281	6.6
118.08657	65.7
119.09022	6.8
131.11934	2.0
131.12936	35.5
132.10208	100.0
132.13289	3.5
166.91402	1.4
206.88577	5.3
207.01837	1.6
234.20712	1.2
248.89671	6.0
249.03763	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	19.3
55.01860	16.3
55.05523	5.7
56.36133	4.5
56.96576	7.8
57.03428	11.2
59.04995	9.3
59.09130	4.8
67.05496	6.8
69.03437	94.6
70.69182	5.7
71.04986	11.7
73.02926	8.0
79.05508	12.8
81.03426	49.4
81.07065	7.6
83.62239	4.7
85.02911	100.0
87.00835	52.0
91.05493	10.7
93.07047	11.8
94.95718	4.4
97.02900	58.8
99.04459	34.7
105.01871	19.5
105.07039	5.8
107.04944	10.0
107.08610	8.0
109.02893	29.7
119.08575	4.7
121.10188	5.9
127.03931	78.1
129.06981	9.2
141.06996	5.7
145.04942	11.0
155.35692	5.2
159.08084	6.2
161.09579	7.2
187.07535	8.2
189.09119	5.5
198.82687	4.9
231.04976	10.1
249.09007	7.8
249.11174	35.0
249.14822	12.6
267.09052	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01860	11.1
55.05513	6.3
57.03435	13.5
59.04998	6.2
61.02915	7.3
67.05509	13.2
68.99792	2.8
69.03427	82.1
69.07058	6.0
69.23393	7.0
69.23804	8.7
71.04976	9.9
73.02917	6.2
79.05492	15.6
81.03414	52.4
81.07055	15.5
83.04992	3.1
85.02404	5.5
85.02907	100.0
86.80585	2.7
87.00826	41.1
87.20225	2.4
91.05479	17.8
93.07045	19.0
95.04964	10.4
95.08602	14.2
97.02901	39.4
98.23466	5.1
99.00803	3.0
99.04443	22.6
101.02352	2.8
105.01862	20.0
105.07027	12.2
107.02966	2.4
107.04946	18.9
107.08578	12.5
109.02869	22.7
109.06493	3.2
109.10213	4.1
111.04433	2.8
117.07014	5.4
119.05003	3.2
119.08582	8.0
121.06513	9.1
121.10123	8.6
123.08089	3.3
127.03909	53.7
129.06985	4.9
133.06415	2.8
133.10077	5.4
135.11662	4.7
143.08519	5.4
145.04904	8.7
145.10098	3.2
147.11658	3.2
157.10072	4.1
161.09534	4.7
175.14769	3.7
185.13216	5.6
189.03947	3.6
203.14268	4.4
205.06558	3.8
231.05019	7.4
231.13791	4.6
233.06013	4.4
248.23260	3.6
249.05528	3.3
249.09267	16.2
249.11357	5.5
249.14714	25.9
249.18484	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1098
Annotation	Thr Glu
Peak:m/z	Relative Intensity
51.02820	0.5
55.01856	2.0
55.05496	0.7
57.03424	1.6
59.04995	1.1
67.05489	1.2
68.99827	0.6
69.03431	8.0
69.07047	1.6
70.29373	0.8
71.04993	1.0
72.08117	0.7
73.02916	0.7
79.05482	0.9
80.88175	0.5
81.03410	3.0
81.07051	0.9
83.04955	0.5
84.22286	0.5
85.02906	10.7
87.00833	4.2
87.04501	0.7
91.05460	1.4
92.53535	0.5
93.06990	0.6
93.44923	0.5
94.02158	0.5
95.08601	0.5
97.02899	4.3
97.06516	0.7
97.52934	0.6
99.04466	3.2
105.01842	2.2
105.03371	2.3
105.06957	0.7
107.08555	0.5
109.02868	2.5
109.10146	0.7
119.08536	0.6
119.47627	0.5
127.03905	5.4
129.06915	0.5
131.08527	0.9
137.05920	0.6
142.07765	0.6
145.04924	1.2
145.10098	1.1
147.08128	0.6
147.09183	0.6
147.11603	0.6
159.08206	0.6
161.09663	0.7
169.14119	0.8
175.12421	0.6
176.10718	1.6
185.07135	1.7
186.14870	0.6
187.07616	0.5
187.15269	0.9
189.08997	0.7
190.12242	0.9
203.06950	0.7
231.10236	0.9
231.13745	1.1
232.14482	0.8
249.10983	100.0
249.16614	4.1
250.11272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.50513	0.4
51.92680	0.5
52.82729	0.3
55.01858	0.8
55.05495	1.2
56.84595	0.4
57.03419	0.5
59.83751	0.5
66.21236	0.4
67.05508	2.8
69.03414	1.1
69.07051	1.0
71.04961	0.4
79.05490	5.8
81.03413	0.7
81.07030	2.2
83.08627	0.7
85.02887	1.0
87.00809	0.5
91.05473	7.0
93.07042	5.1
95.04945	1.2
95.08594	1.5
97.02884	0.8
103.05470	0.6
105.07027	3.0
107.04936	1.7
107.08587	5.1
109.06490	0.6
109.10175	0.5
114.18526	0.4
115.05422	3.2
116.06238	1.7
117.07013	1.9
119.08573	1.9
121.10137	3.1
127.03911	0.8
128.06198	6.8
129.06993	14.8
130.07834	0.7
131.04887	1.3
131.08562	14.0
133.06503	2.3
133.10126	2.4
135.11662	1.2
141.06972	7.7
142.07785	3.7
143.08569	2.7
144.05692	6.5
145.06480	5.0
145.10114	0.8
146.07263	1.9
147.04355	1.3
147.07968	0.7
147.11676	1.2
153.06998	1.6
155.06027	1.7
156.05687	1.9
157.06479	7.2
158.07231	2.1
159.04372	0.6
159.08046	20.3
160.05225	0.8
161.05983	2.7
161.09612	7.3
167.06973	0.9
167.10579	0.5
169.06419	1.2
169.07613	2.8
170.07262	7.4
171.04417	0.6
171.08047	5.7
172.05173	2.5
173.05974	4.0
174.06744	2.8
175.07544	2.4
178.06221	0.5
185.05969	0.7
186.06711	0.9
187.07520	14.4
188.08263	0.9
189.05443	2.4
189.09099	7.6
190.06152	0.9
191.07080	0.7
193.08568	0.6
198.06743	1.6
199.07524	1.6
201.05489	1.4
203.06987	4.8
204.07808	9.9
205.08562	1.7
206.09421	0.6
213.16356	0.6
216.07788	3.2
217.08607	1.0
218.09334	1.3
219.10216	1.7
221.11736	2.4
231.10156	5.6
234.08890	0.8
249.11203	100.0
249.18147	5.9
250.11514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
52.14626	0.4
55.01831	0.4
55.05513	0.5
57.03434	0.6
57.07073	3.9
58.06595	0.4
58.07405	3.0
59.04996	0.5
64.57336	0.4
67.05489	0.9
69.03421	1.2
70.06592	6.9
70.46869	0.4
70.47198	0.4
71.06917	3.5
71.08625	1.2
72.08955	0.5
77.38339	0.4
79.05473	1.1
81.07055	0.8
82.53365	0.4
83.08588	0.4
88.07624	7.4
89.07954	5.6
90.08069	1.7
91.05476	5.8
93.07037	0.9
95.04955	0.7
95.08592	0.8
97.02866	0.8
102.09168	1.8
103.05466	0.8
103.09501	1.4
104.09616	0.5
104.99232	0.5
105.07018	2.8
106.08646	2.3
107.04964	2.1
107.09039	2.4
108.09061	2.5
115.05432	3.9
116.06258	2.7
117.07013	2.6
118.07851	0.4
119.08562	0.6
121.06512	1.1
127.05373	0.5
128.06213	8.1
129.07001	19.1
130.07764	0.9
131.04898	1.5
131.08565	16.5
132.05707	1.0
133.06490	2.6
133.10138	1.5
141.06973	8.0
142.07784	4.0
143.08563	2.5
144.05681	7.8
145.06467	4.6
146.07274	3.1
147.04369	0.7
147.08057	0.8
152.06180	1.2
153.06950	1.9
155.04880	0.7
155.06039	1.9
156.05687	1.5
157.06488	8.0
158.07253	2.0
159.08044	24.1
160.05211	1.1
160.08789	0.5
161.06010	3.3
161.09587	6.4
167.07063	0.9
169.06435	1.4
169.07625	3.4
170.07253	7.2
171.04379	1.1
171.08038	6.5
172.05132	2.4
173.05974	3.4
174.06760	1.8
175.07545	3.3
177.05426	0.4
178.06241	0.9
184.05212	0.5
185.05974	1.0
186.06718	0.9
187.07536	15.8
187.09248	0.8
188.04675	0.5
188.08273	1.2
189.05496	2.8
189.09070	8.0
190.06259	1.3
191.07008	1.7
192.07823	0.6
193.08618	0.6
198.06750	1.5
199.07509	2.8
201.05490	1.4
203.07018	4.9
204.07791	11.3
204.22327	0.7
204.24661	0.4
205.08615	1.4
206.09375	1.4
216.07840	3.8
217.08595	0.5
218.09410	0.8
219.10199	1.3
221.08110	1.0
221.11620	2.6
228.23271	0.5
230.23883	4.7
231.10170	6.2
231.15726	0.8
231.24158	0.5
234.08835	1.1
248.24881	81.2
249.11200	100.0
249.25130	20.1
250.11519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.03808	0.3
51.63074	0.4
53.03939	0.5
55.01871	0.9
55.05505	0.6
57.03434	0.9
57.07063	0.4
59.05003	1.0
67.05499	1.2
68.99799	0.4
69.03432	3.7
69.07079	2.3
70.64941	0.7
71.04991	0.8
73.02912	0.5
78.96825	0.4
79.05502	0.7
81.03425	1.8
81.07074	0.6
83.04973	0.5
85.02905	4.6
87.00838	1.4
88.07633	0.4
91.05486	4.9
93.07032	0.6
95.04948	0.5
95.08592	0.5
96.44948	0.4
97.02898	2.2
99.04479	1.7
99.87571	0.3
103.05491	0.5
105.01864	0.4
105.07039	2.5
107.04960	1.4
107.08615	0.5
109.02885	1.3
115.05447	3.5
115.07552	0.6
116.06257	2.4
117.07043	2.4
119.04946	0.5
119.08588	1.0
127.03931	3.2
127.05382	0.5
128.06233	6.2
129.07013	15.4
130.07834	0.6
131.04942	1.4
131.08572	12.9
132.05708	0.9
133.06480	2.1
133.10109	1.4
137.05975	0.4
139.05420	0.4
141.06996	7.0
142.07776	3.4
143.04926	0.8
143.08572	2.9
144.05705	7.5
145.06505	4.1
145.10202	0.5
146.07269	2.7
147.04413	1.2
147.08054	0.6
152.06232	0.6
153.06995	2.3
155.04913	0.5
155.06085	1.1
156.05690	1.3
157.06500	8.2
158.07245	1.6
159.08060	19.7
160.05136	0.8
160.08626	0.4
161.05986	2.5
161.09616	6.1
167.07076	1.0
169.06442	1.1
169.07642	2.4
170.07286	6.0
171.04408	0.8
171.08055	5.5
172.05240	2.3
173.06027	3.5
174.06778	2.1
175.07529	3.2
178.06293	0.6
184.05269	0.6
185.05911	0.7
186.06752	0.8
186.18564	0.6
187.07552	14.6
187.18765	0.5
188.04706	0.5
188.08307	1.1
189.05484	3.1
189.09091	6.9
190.06259	1.0
191.07063	0.8
192.07872	0.4
193.08618	0.8
198.06776	1.3
199.07533	2.0
201.05441	0.6
203.07050	5.1
204.07826	10.1
205.08626	1.4
206.09384	0.8
216.07860	2.6
217.04866	0.6
217.08595	0.8
218.09326	1.5
219.10194	1.8
221.08130	0.8
221.11731	2.6
231.10168	5.1
231.13670	0.6
234.08797	0.6
248.22115	0.9
249.11227	100.0
249.22595	1.1
250.11571	1.4
269.68262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1235
Annotation	Abbeymycin
Peak:m/z	Relative Intensity
55.01867	2.1
56.96564	1.3
58.38586	1.0
59.04988	3.4
67.05490	1.8
69.03419	3.2
72.04515	45.0
72.04922	2.5
81.07055	1.0
84.08147	1.1
85.02880	2.5
87.00808	1.4
91.05449	2.0
95.19790	0.8
97.02885	1.8
98.97556	2.6
99.04440	1.5
104.99273	1.7
111.46803	1.0
115.05437	1.2
116.03454	1.3
116.98634	1.7
117.07030	1.8
118.06540	6.2
118.08633	1.6
119.07311	6.0
127.03954	1.6
128.56400	1.0
134.09647	100.0
136.06200	5.4
143.04810	1.1
144.08086	2.1
145.08871	1.6
159.08333	1.4
160.11212	25.6
161.05974	2.4
161.09645	1.9
176.03418	1.4
187.12291	4.5
189.05452	3.8
203.11761	11.8
203.99860	1.6
204.10246	1.7
205.13358	30.5
231.11292	12.2
232.09663	25.2
239.33614	1.0
249.06113	9.0
249.12341	83.7
249.17058	6.2
250.12941	2.7
263.07913	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36351	0.6
53.03949	2.2
55.01866	2.0
55.05510	1.5
57.03429	1.9
57.04549	3.1
58.99584	0.5
59.04992	1.3
61.01156	0.7
61.02921	1.4
62.70008	0.5
62.83439	0.5
67.05159	0.8
67.05499	10.9
68.99782	0.9
69.03425	14.1
69.07069	0.5
69.72362	0.8
69.72776	1.4
71.01324	0.5
71.04994	3.0
72.08152	10.7
73.02917	2.3
77.03934	0.6
79.05492	1.2
81.03418	6.4
81.07048	1.0
85.02901	20.9
87.00825	9.6
87.05593	0.7
89.00611	1.1
91.05470	4.4
93.07033	0.6
95.04968	0.8
97.02885	9.0
97.07635	0.7
98.06059	1.0
99.04449	5.7
100.47271	0.5
101.02374	1.1
105.01897	5.3
105.03386	66.6
105.07014	0.9
106.03751	0.8
109.02872	5.6
109.10147	6.8
114.10283	2.0
115.08707	3.5
118.06537	2.3
120.08107	1.1
120.88288	0.5
122.06021	2.0
127.03915	12.0
127.11209	0.7
129.01794	0.8
129.10222	5.6
134.06001	4.7
136.07651	0.8
139.78365	0.4
145.04948	2.6
152.05678	1.7
153.11143	0.5
159.02859	1.1
175.12309	15.5
176.10698	39.2
189.03871	0.7
189.13823	4.6
190.12270	6.7
193.13336	7.0
207.14894	0.6
213.04056	0.5
218.12854	5.4
231.05045	1.3
231.10428	2.6
232.14429	8.1
249.11697	3.2
249.17021	100.0
250.13127	0.9
250.17278	2.0
259.74393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.01862	0.4
55.05497	0.7
56.96549	0.4
57.03431	0.6
61.02925	0.8
63.39784	0.2
67.03337	0.2
69.03430	2.0
69.33009	1.2
70.06596	2.1
71.46353	0.2
72.08127	0.3
81.03413	0.7
84.41023	0.2
85.02899	14.9
88.07627	100.0
89.07940	0.4
91.03941	0.3
97.02889	2.2
98.98463	9.4
99.04430	0.5
109.02879	1.7
127.03907	2.6
131.44402	0.2
136.06194	0.9
140.84755	0.2
145.04942	1.4
150.12344	0.3
163.06032	0.3
174.99237	0.7
206.11829	1.0
250.12691	1.6
251.15207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05508	13.0
55.05781	0.6
57.07075	8.4
58.99591	2.2
61.01122	0.5
62.98741	0.8
62.99073	21.8
67.05503	6.9
69.07065	96.7
69.30387	1.5
70.02940	0.8
70.07408	0.8
70.96127	0.4
73.01139	1.2
74.00662	2.6
76.02222	0.8
77.00614	2.1
81.07063	0.7
83.08615	3.8
86.98584	0.4
86.99040	1.9
87.02687	13.2
88.02213	6.9
88.03986	10.2
88.04518	0.6
98.98444	6.0
100.57688	0.4
101.04259	1.9
105.00105	0.9
105.03720	1.0
109.10151	1.8
111.11716	20.0
120.01156	3.9
122.02743	1.7
128.14351	0.8
134.02744	0.8
140.14354	0.4
141.73187	0.4
143.08896	5.8
145.10446	1.3
159.08455	0.6
161.09949	100.0
162.10260	1.5
186.13089	1.4
187.11546	0.5
187.57973	0.4
215.10991	8.8
232.13637	8.8
233.12050	34.5
233.93246	0.4
239.91386	0.4
250.11873	0.6
250.14693	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.87373	0.5
55.01861	3.6
55.05490	2.2
56.96551	1.0
57.03430	1.9
59.04976	1.6
67.05154	0.9
67.05499	11.5
69.07066	3.3
69.51578	3.0
71.04993	4.8
77.03906	0.7
79.05492	9.4
81.02962	1.0
81.03418	16.0
81.07055	14.1
83.04967	1.5
83.08579	1.1
85.06532	0.9
90.04667	0.6
91.04939	0.8
91.05479	9.9
93.07049	6.2
95.04971	17.4
95.08611	5.8
97.01113	40.9
97.06516	2.1
98.98463	81.9
99.04431	1.7
101.06015	0.8
103.05466	1.5
105.04520	0.8
105.07038	6.2
107.04966	3.4
107.08575	3.2
109.01099	1.3
109.06509	3.8
109.10139	2.6
110.99033	6.4
115.05444	4.0
116.99501	1.8
117.07017	4.9
118.04138	2.0
119.04939	1.0
119.08576	5.3
121.01048	2.2
121.06511	5.2
121.10130	2.7
123.02643	1.6
123.04414	1.3
123.08073	2.0
123.11648	1.1
128.06219	7.7
129.06985	3.0
131.04907	2.0
131.08560	7.7
133.10141	1.8
134.01842	1.4
135.02672	3.1
135.04436	0.7
135.08014	1.8
137.00537	3.0
137.09573	1.0
139.02043	0.6
140.00986	0.9
141.06990	5.3
142.07803	1.8
143.08551	1.0
145.06563	1.0
145.10117	2.4
147.02583	3.9
147.08046	0.9
147.11678	3.0
149.04163	2.7
149.05984	1.4
149.09648	1.3
152.06194	0.8
153.06938	3.8
154.07799	1.5
155.08557	1.2
159.08040	0.6
159.11644	1.0
160.03418	1.6
161.04173	2.0
162.65919	0.6
163.02121	1.0
163.05705	1.0
165.07040	0.6
167.07021	1.0
169.06529	3.4
169.10080	0.7
171.02606	1.7
171.11717	2.1
172.03413	3.0
173.04204	13.7
173.05682	0.8
173.13292	1.6
174.05019	3.5
174.99200	3.8
176.02910	1.9
177.03688	12.7
177.07384	1.0
179.01569	1.5
181.06454	2.0
181.12265	0.9
182.07301	0.9
185.04167	2.1
187.02139	1.5
187.05789	4.3
187.11183	0.8
187.14877	3.3
188.02960	1.1
189.03682	100.0
189.44951	0.6
190.04112	1.5
191.05264	2.6
191.14311	0.8
197.04202	0.8
197.13293	1.0
201.03673	3.3
202.04460	20.7
203.05238	26.2
205.06824	1.1
205.15997	1.2
215.05261	10.7
215.14380	1.7
223.07762	0.7
233.06303	42.3
233.15331	8.3
250.25424	1.6
251.07365	60.4
251.12546	7.6
251.16290	7.3
251.25487	0.9
252.07617	1.9
269.10529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01880	1.4
55.05510	2.2
57.03429	0.6
59.04999	2.8
62.80277	0.5
65.03529	0.5
65.03942	0.6
67.05502	5.0
69.03407	0.7
69.07061	3.6
69.67184	0.5
69.67525	2.2
71.04998	2.0
72.97362	0.6
73.60271	0.5
79.05509	4.7
79.05920	1.0
81.03412	2.8
81.07056	4.8
83.04989	1.1
85.02873	0.7
85.06561	0.9
91.05491	4.1
93.07053	3.9
95.04977	4.7
95.08615	2.6
97.06520	1.4
98.98468	100.0
99.04459	1.1
101.06015	1.7
105.07057	4.8
105.83105	0.6
106.42868	0.6
107.04964	2.4
107.08601	4.7
109.06508	2.1
109.10183	1.2
111.04471	0.9
111.08202	0.6
113.05991	1.1
116.99501	2.2
117.07035	2.4
119.08559	3.1
121.06515	3.6
121.10161	1.5
123.08070	0.8
123.11726	1.0
127.07531	0.9
129.05507	0.8
129.07056	0.6
131.08586	4.2
133.06493	1.0
133.10164	0.7
135.04393	1.2
135.08055	1.8
135.11691	1.1
137.05923	1.4
137.09608	0.8
139.07593	0.8
141.06955	0.6
145.06476	1.1
145.10136	4.7
147.11694	0.8
149.06003	0.6
149.09619	2.0
151.07594	0.6
154.38115	0.6
159.11736	3.4
161.09612	0.7
163.07561	0.7
163.11205	1.3
169.10167	1.0
172.08998	0.6
173.09645	2.9
173.13263	1.6
174.99237	4.3
175.11172	0.6
177.09113	0.8
177.12764	0.7
187.11201	2.7
187.14804	1.1
191.10667	2.7
191.14383	1.0
193.08717	0.7
195.11588	0.6
197.09657	0.8
205.12228	2.1
213.07727	0.7
215.10709	2.8
215.14217	0.9
219.13832	1.1
233.11736	3.0
233.15407	2.1
251.12558	97.9
252.12854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47210	0.4
54.96653	0.3
55.05506	0.5
55.54007	0.4
60.05635	0.6
65.03947	0.7
67.22665	0.3
70.06561	0.6
70.68823	0.6
72.08154	10.9
73.04028	0.4
77.01575	0.3
86.00476	0.4
89.10791	0.8
91.05465	0.4
95.04939	0.6
97.07652	2.1
98.06081	0.6
98.98463	68.6
102.94624	0.3
111.04408	0.8
111.69020	0.4
114.10284	14.8
115.08679	8.7
116.99500	1.4
120.04498	0.5
121.02860	100.0
122.03200	1.7
131.12935	0.5
138.05423	1.2
145.34364	0.4
146.05998	0.4
150.05499	0.9
174.99178	3.1
180.88841	0.4
191.11787	16.1
192.10187	25.8
209.12871	1.5
223.07146	0.4
234.12357	16.9
251.15039	71.2
252.15335	1.2
252.29141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.83127	2.9
55.05500	13.3
55.81281	3.0
59.04993	8.6
67.05502	100.0
69.07058	11.9
71.04974	4.0
71.47395	2.8
76.76751	3.0
77.08369	3.2
79.05493	23.1
81.07052	89.7
83.08616	12.7
91.05470	16.0
93.07040	22.9
95.08025	6.5
95.08601	84.8
97.06511	6.7
97.10185	4.8
98.98457	51.6
105.07016	10.3
106.23431	3.0
107.08591	16.7
109.10150	38.6
111.08105	6.7
119.08587	11.4
121.10139	17.3
123.11721	17.1
131.08604	4.2
133.10133	17.6
135.11665	15.0
137.09602	7.0
137.13199	4.4
145.10164	3.4
147.11722	4.4
149.13277	6.8
151.11176	8.5
159.11697	5.8
173.13283	3.4
215.17949	13.6
233.18982	13.6
251.10323	5.1
251.20009	40.6
262.36490	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	70.3
69.03421	8.7
69.87677	12.3
70.06603	4.7
72.08155	25.5
79.24268	3.7
84.08175	4.2
85.02917	15.2
85.03976	4.1
86.09706	12.5
90.09193	100.0
90.97457	4.2
95.06095	11.5
96.06865	44.7
97.02862	7.2
97.07642	25.3
98.97573	11.2
98.98463	73.4
101.00982	4.1
102.96869	7.2
115.68343	4.6
115.70739	4.5
119.01950	8.7
120.97904	5.9
126.02264	7.1
127.03871	5.7
137.24287	4.4
140.03835	11.7
142.05376	16.8
145.04922	5.6
149.02951	3.8
152.08272	5.0
158.04848	13.9
160.06490	27.0
170.04854	7.2
176.05956	5.6
177.01003	15.6
178.07487	4.4
188.05946	18.2
203.02496	6.8
206.06970	64.9
210.04686	10.4
219.01907	6.1
224.08043	68.1
229.00356	5.9
229.08505	15.4
234.04460	8.8
247.01468	23.7
247.09666	10.2
251.57744	4.2
252.05231	15.6
252.08240	33.6
252.14305	50.1
270.06110	14.8
270.09332	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.2
56.05048	0.6
56.80618	0.4
57.07068	0.6
58.06336	0.7
58.06605	10.4
61.71777	0.4
67.05159	0.7
67.05508	13.0
68.05867	0.4
69.07076	9.8
69.73592	0.6
69.73913	1.1
71.08635	0.5
72.08142	1.1
79.05496	1.2
81.07063	11.7
83.08635	4.0
90.09193	1.8
91.05489	0.6
93.07046	0.5
95.08613	11.7
97.10172	1.9
98.09702	0.7
98.22656	0.7
98.23304	1.2
98.98476	18.3
109.10172	5.5
111.11712	0.6
116.99541	0.5
123.11698	1.0
156.97871	0.6
174.99208	0.6
176.98901	0.5
205.98758	0.6
252.11075	1.3
252.14644	1.0
252.26881	100.0
253.15912	0.7
253.27243	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05508	8.7
56.05029	0.3
57.07077	0.7
57.57796	0.1
58.06596	10.0
58.34618	0.1
59.02431	0.1
65.03936	0.4
67.05501	11.6
69.07062	12.4
70.06548	0.2
71.08623	0.2
71.46580	0.1
72.08131	0.7
79.05489	0.9
81.07053	11.2
83.08612	3.9
84.08115	0.2
90.09184	0.2
93.07039	0.6
95.08600	11.5
96.08922	0.1
96.22622	0.1
96.54664	0.1
97.10160	1.9
98.09658	0.6
98.98453	2.2
100.11271	0.2
109.09419	0.2
109.10150	4.4
111.11743	0.4
111.73753	0.1
123.11700	1.5
125.00881	0.1
130.20277	0.1
137.13255	0.4
182.19098	0.1
193.53819	0.1
196.06055	0.7
196.20544	0.2
224.09221	0.3
247.38031	0.1
252.12267	0.5
252.26839	100.0
253.27170	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.5
55.05508	2.8
55.43209	0.6
55.58190	0.6
57.03176	0.9
57.03435	6.1
57.07077	0.9
57.39270	0.6
59.31589	0.6
65.03946	2.1
67.05495	2.8
67.17830	0.6
69.03427	1.9
69.07066	1.8
71.04981	0.8
75.04475	2.3
79.05494	4.3
79.48397	0.6
81.03432	1.0
81.07053	3.8
83.04984	1.4
83.08560	0.7
84.08128	1.2
85.02880	1.8
91.05477	57.6
93.07050	4.2
94.04161	1.1
95.04961	3.7
95.08603	2.2
97.02890	2.7
97.06519	2.4
98.98463	93.0
100.98839	0.7
101.06023	0.8
103.05483	3.3
105.07027	15.7
107.04951	1.8
107.08587	2.4
109.06509	1.8
109.10159	1.9
111.08085	1.0
115.05451	3.2
116.99500	2.2
117.06994	2.2
118.04140	3.7
119.04940	27.3
119.08562	2.3
120.08121	1.9
121.06512	1.8
121.08432	1.5
121.10171	2.0
123.04406	2.4
123.08044	1.4
125.09696	0.8
126.05495	0.9
129.06982	2.0
131.04982	1.4
131.08560	0.9
133.06490	17.1
133.07497	0.9
133.10054	1.4
135.04431	0.9
135.07965	1.3
136.05173	3.6
136.06114	1.3
137.04559	1.9
137.05882	1.2
137.09579	0.9
143.08546	1.2
145.06480	1.3
145.10124	0.8
146.03619	12.3
147.04402	56.5
147.07983	1.1
147.11659	1.2
148.07574	0.7
149.09599	1.8
151.07524	1.6
151.11176	1.1
157.06552	0.9
157.10114	1.4
159.11751	1.1
161.05974	53.3
161.09601	1.3
164.04691	5.4
165.09056	0.7
171.08099	1.0
174.99220	1.9
175.11096	0.8
176.98940	1.9
177.05457	1.1
179.07022	100.0
180.07407	0.8
180.10283	0.8
197.11702	1.4
200.77931	0.7
203.07066	0.9
208.09666	7.2
209.08186	0.8
217.08569	1.1
217.12175	1.2
235.09642	2.1
235.13301	2.0
235.16910	1.5
253.08353	0.9
253.10674	11.9
253.14650	2.3
254.10207	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
53.20903	0.5
57.07053	0.6
60.04524	64.1
65.78985	0.4
67.05502	5.7
68.05016	1.4
69.03409	1.6
69.07066	0.8
70.02932	1.8
70.06568	0.5
72.36124	0.5
79.05500	0.5
81.07048	1.5
85.02887	0.9
85.08940	0.5
87.05596	2.5
90.09207	0.5
91.05481	1.1
92.21893	0.5
93.07043	0.6
95.08604	0.7
97.02880	0.6
98.06060	2.6
98.98462	100.0
99.45209	0.5
100.98872	1.6
103.05450	2.7
106.06509	1.3
107.04932	1.6
107.08595	0.7
109.10143	2.9
110.07124	1.1
116.07098	4.2
116.99508	2.0
120.04458	1.5
120.08098	88.5
120.23776	0.5
121.08430	1.3
131.04947	2.7
132.08112	0.8
136.07607	0.7
141.05466	1.0
144.08054	2.5
149.05995	1.3
162.09160	2.1
163.81873	0.6
166.08630	66.5
167.09033	0.6
174.99245	2.0
176.98946	2.4
197.11707	1.6
206.98737	0.6
207.11281	18.0
235.10667	6.2
253.06905	0.7
253.11862	17.7
253.14783	1.2
253.15382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1184
Annotation	H-TYR-ALA-OH
Peak:m/z	Relative Intensity
53.33483	0.4
56.05021	1.8
61.02900	0.5
66.70660	0.5
67.05498	5.2
68.05026	0.8
69.03418	1.3
70.97165	0.7
71.04940	0.5
72.80216	0.4
73.06551	16.5
73.84035	0.4
79.05470	1.0
81.07040	1.0
84.04494	22.3
85.02907	4.0
85.06537	0.8
90.09148	0.4
94.06559	0.6
97.02889	0.7
97.64345	0.4
98.98458	38.7
100.98915	0.6
102.05538	0.5
106.06544	100.0
107.06884	1.2
109.10165	2.3
110.07172	0.9
114.05515	1.2
116.07058	0.9
116.99564	0.6
118.06531	3.2
120.08104	0.6
124.07583	3.9
127.11222	0.7
130.04996	3.3
130.06500	1.3
134.06059	0.5
136.07588	0.4
142.05005	0.5
144.08081	1.9
154.06573	0.8
160.07607	0.5
162.09151	1.2
171.09158	32.1
172.07567	2.6
172.09773	0.8
173.10735	0.5
174.99205	1.2
176.98990	0.4
181.52699	0.4
189.10242	1.2
190.08641	1.9
200.07080	0.7
217.09706	23.5
218.08098	6.4
218.10037	0.7
235.10748	31.8
236.11211	0.5
253.11719	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55113	0.6
55.05502	1.1
56.05033	0.7
57.03432	1.4
57.07066	0.8
58.92539	0.5
59.04996	0.8
60.04522	1.0
61.02923	1.4
67.05501	25.3
68.05018	1.9
69.03423	5.1
69.07076	0.7
69.78219	1.1
69.78581	1.2
70.06590	1.3
71.04984	3.7
73.06551	70.4
75.20362	0.6
79.05500	1.2
81.03407	1.2
81.07037	4.4
84.04504	13.8
84.57165	0.6
85.02901	14.4
85.06511	2.2
85.46965	0.6
85.87276	0.5
91.07605	3.6
92.67889	0.7
95.04956	0.9
97.02894	3.7
98.06067	1.1
98.23442	0.8
98.98462	100.0
100.98886	1.1
106.06548	66.9
107.08656	1.0
109.10146	12.2
114.05552	0.7
116.07076	5.7
116.99496	1.7
118.06557	1.9
118.08661	0.6
120.04462	1.4
120.08103	0.8
124.07572	1.7
127.03905	2.4
127.11198	1.6
130.04985	1.2
130.06505	0.9
134.06093	1.1
141.00032	0.7
142.04988	0.8
144.08026	1.3
145.04994	1.7
150.86621	0.6
154.06531	1.0
156.45132	0.6
162.05521	1.0
162.09177	0.9
171.09171	20.2
172.07590	1.9
174.99219	2.4
176.98953	2.3
189.10254	1.0
190.08618	0.9
193.48643	0.6
197.11710	1.8
199.28485	0.7
200.07220	0.8
217.09758	16.4
218.08189	3.9
235.10745	23.2
253.11630	3.9
253.14915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57346	0.3
70.29415	0.3
79.05450	0.4
81.07043	0.4
95.08585	0.5
96.08098	0.4
98.98462	11.1
133.10138	0.4
158.87164	0.3
161.13368	0.4
207.13884	0.3
217.12245	0.5
235.13133	0.9
248.08966	0.3
253.14099	100.0
254.14452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63935	1.0
53.03942	1.0
55.01869	3.3
55.05500	9.9
57.07061	2.3
58.06607	1.5
67.05499	25.2
69.03426	100.0
69.07059	11.2
69.51698	2.0
69.52079	2.4
70.07400	1.1
71.05025	1.4
73.06561	1.6
79.05486	17.2
81.07052	26.9
81.07499	2.2
82.07367	1.8
83.04977	6.4
83.08623	3.4
85.06569	2.0
91.05473	29.4
93.07037	23.7
95.04965	4.2
95.08609	17.2
97.06511	5.7
97.10195	3.2
98.98466	37.6
105.07008	12.5
107.04983	1.2
107.08575	13.1
109.06506	5.9
109.10142	8.6
111.08086	4.4
117.07030	9.1
119.08580	9.3
121.06519	1.2
121.10131	18.0
123.08101	3.7
123.11736	2.5
125.06003	6.7
129.07013	3.5
131.08571	7.9
133.10115	24.5
135.08038	1.4
135.11687	3.6
137.09622	3.6
143.08585	2.8
145.10197	1.5
147.11694	6.5
149.09621	3.0
149.13246	2.1
151.11212	6.4
157.10130	3.0
161.13351	2.4
165.12790	1.4
166.97652	1.1
173.13261	1.2
175.11232	2.0
175.14911	2.5
189.16345	5.9
193.12212	2.1
199.14819	5.7
207.17444	4.2
217.15790	5.5
223.09940	0.9
235.16914	39.6
245.46324	1.1
247.08295	1.1
253.05093	1.4
253.08684	2.2
253.17880	4.7
253.27202	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03951	3.1
55.01865	3.1
55.05511	21.0
57.03429	5.0
57.07073	3.1
65.03933	3.1
67.05504	71.8
69.03427	2.9
69.07066	21.5
71.04986	4.9
71.46523	1.5
75.51637	1.1
77.03890	1.7
79.05490	84.7
81.03413	3.3
81.07056	73.5
83.04971	6.1
83.08611	11.1
85.06547	6.2
87.87325	1.1
90.29185	1.2
91.05476	66.3
93.07042	97.9
93.75164	1.1
95.04977	13.4
95.08601	56.0
97.06535	7.2
97.10139	7.8
98.98464	100.0
99.08094	2.8
100.98854	1.8
105.04527	3.7
105.07028	36.0
107.04945	2.2
107.08588	57.0
109.06523	5.4
109.10148	17.0
111.08095	4.9
113.05991	1.8
115.05446	1.8
116.99506	2.0
117.07011	19.0
119.08566	34.0
121.06534	3.8
121.10142	66.3
123.08085	7.7
123.11724	2.5
125.09628	5.1
129.06972	7.0
131.08569	31.7
133.10120	31.9
135.08063	10.9
135.11691	12.9
137.09595	8.5
139.07549	2.3
139.11197	1.6
143.08543	6.9
145.10117	9.1
147.08081	1.8
147.11690	10.3
149.09628	4.4
149.13260	2.7
151.11185	2.7
153.09120	3.2
157.10112	10.4
161.09636	2.9
161.13214	3.0
163.11172	1.6
165.12724	1.4
171.11621	7.0
173.13210	10.0
174.99231	4.2
175.11287	2.1
175.14816	9.6
176.98929	2.6
179.10739	1.6
185.99622	1.3
189.12688	3.9
189.16351	15.9
191.14359	2.7
197.11717	2.0
199.14822	16.1
207.17461	3.1
217.15889	15.3
235.16911	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.44146	1.4
53.03939	4.1
55.01867	4.3
55.05254	2.5
55.05508	25.0
57.03423	4.0
57.07062	2.4
63.23210	1.4
64.63363	1.6
65.03938	3.2
66.03776	1.6
67.05501	74.0
69.03395	2.2
69.07063	27.5
70.68975	2.5
71.05000	4.7
77.03933	2.2
79.05486	100.0
81.03428	4.0
81.07051	78.0
83.04976	7.2
83.08607	15.7
85.06546	5.0
90.14003	1.3
91.05475	79.9
93.07035	99.9
95.04970	13.7
95.08599	57.6
96.08920	1.5
97.06502	10.8
97.10170	10.0
98.98459	78.0
99.08102	3.6
105.04518	3.0
105.07018	37.7
107.04958	3.1
107.08588	57.2
109.06531	6.6
109.10149	20.5
111.08081	5.3
111.11728	2.3
113.06030	2.2
113.09647	2.0
115.05506	2.2
117.07012	20.7
119.08571	33.6
121.06490	4.9
121.10133	73.9
123.08083	8.8
123.11720	3.1
124.01115	1.3
125.09647	3.2
129.06996	7.2
131.08554	32.6
131.09456	2.5
133.10115	34.8
135.08025	10.7
135.11676	15.3
137.09579	10.5
139.07574	1.9
142.07823	1.8
143.08525	8.3
145.10103	8.3
147.11662	8.6
149.09624	3.3
149.13248	2.2
151.11223	4.4
153.09122	2.6
153.81693	1.4
157.10117	13.9
161.13292	4.1
170.79597	1.4
171.11693	8.3
173.13223	10.1
175.11189	3.5
175.14798	10.6
189.12770	2.3
189.16364	17.6
193.12270	1.7
199.14799	21.0
207.17580	3.2
209.06030	1.7
217.15823	15.2
235.09595	1.4
235.16902	31.8
253.08617	3.6
258.64600	1.8
263.79327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
51.63935	1.0
53.03942	1.0
55.01869	3.3
55.05500	9.9
57.07061	2.3
58.06607	1.5
67.05499	25.2
69.03426	100.0
69.07059	11.2
69.51698	2.0
69.52079	2.4
70.07400	1.1
71.05025	1.4
73.06561	1.6
79.05486	17.2
81.07052	26.9
81.07499	2.2
82.07367	1.8
83.04977	6.4
83.08623	3.4
85.06569	2.0
91.05473	29.4
93.07037	23.7
95.04965	4.2
95.08609	17.2
97.06511	5.7
97.10195	3.2
98.98466	37.6
105.07008	12.5
107.04983	1.2
107.08575	13.1
109.06506	5.9
109.10142	8.6
111.08086	4.4
117.07030	9.1
119.08580	9.3
121.06519	1.2
121.10131	18.0
123.08101	3.7
123.11736	2.5
125.06003	6.7
129.07013	3.5
131.08571	7.9
133.10115	24.5
135.08038	1.4
135.11687	3.6
137.09622	3.6
143.08585	2.8
145.10197	1.5
147.11694	6.5
149.09621	3.0
149.13246	2.1
151.11212	6.4
157.10130	3.0
161.13351	2.4
165.12790	1.4
166.97652	1.1
173.13261	1.2
175.11232	2.0
175.14911	2.5
189.16345	5.9
193.12212	2.1
199.14819	5.7
207.17444	4.2
217.15790	5.5
223.09940	0.9
235.16914	39.6
245.46324	1.1
247.08295	1.1
253.05093	1.4
253.08684	2.2
253.17880	4.7
253.27202	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.27835	1.5
53.03946	3.7
55.01870	3.0
55.05509	17.5
57.03434	3.6
57.07054	1.6
57.72663	1.5
59.04996	1.9
65.03935	2.9
67.05502	76.7
69.07065	21.4
71.04991	5.0
71.22128	3.0
73.40437	1.4
77.03942	2.6
79.05489	82.6
81.03414	3.9
81.07053	76.6
83.04990	6.1
83.08615	14.0
85.06535	3.5
91.05474	73.0
93.07040	100.0
95.04968	14.2
95.08603	52.5
97.06533	8.5
97.10162	7.4
98.98461	82.2
99.08080	2.6
100.98941	1.9
105.04510	3.4
105.07026	35.3
107.04949	2.8
107.08593	55.4
109.06517	6.9
109.10153	16.1
111.08101	6.4
116.99512	1.7
117.07011	16.7
119.08573	34.8
121.06517	3.3
121.10140	56.6
121.10986	3.4
123.08064	6.4
123.11727	2.9
125.09624	2.7
128.06242	2.1
129.07018	7.7
131.08563	32.2
133.10129	27.9
135.08015	10.6
135.11705	14.9
136.03810	1.5
137.09615	10.3
139.07658	1.5
142.07712	2.2
143.08574	9.0
145.10114	8.0
147.11690	16.4
149.09679	4.2
151.11172	3.5
153.09114	3.1
157.10068	11.0
161.09581	2.3
170.53374	1.4
171.11681	6.7
172.12036	1.5
173.13225	13.9
174.99117	2.3
175.11218	4.2
175.14742	8.1
176.98900	1.9
179.10670	1.8
189.12723	2.4
189.16383	12.9
191.14339	2.8
199.11171	1.5
199.14801	19.1
207.17453	3.6
217.15855	12.9
235.16930	25.5
252.68217	1.8
253.08585	2.3
253.15993	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13480	1.8
55.01871	2.0
56.68132	1.5
57.03437	27.3
58.10603	1.6
61.02923	43.6
69.03430	6.0
69.07088	1.7
70.06583	1.8
71.01327	2.2
73.02914	19.4
75.04469	12.9
75.40527	1.9
78.17726	1.4
79.64469	1.4
81.03458	2.6
81.98270	1.6
85.02901	44.2
91.03386	2.7
91.03946	39.7
93.05507	34.2
94.06557	4.0
96.92849	2.7
97.02895	19.7
98.98460	33.9
100.98875	2.3
106.02929	4.3
109.02906	2.2
110.07153	12.3
112.89623	7.8
115.03896	4.3
118.08634	3.5
123.05546	91.8
124.03976	5.7
127.03913	13.4
129.95967	1.5
133.04967	2.2
138.05493	100.0
145.04958	15.8
156.07654	4.0
160.52423	1.7
163.06000	12.9
174.89688	1.9
176.93506	8.4
176.98926	1.9
237.13654	2.4
254.97267	1.9
255.00665	1.7
255.06250	13.6
255.09776	5.2
255.14432	3.3
270.26157	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70826	0.7
56.96574	2.3
57.03435	1.2
59.93479	0.8
61.02924	1.2
62.26784	0.8
63.63606	0.7
66.85192	0.7
69.07085	3.2
69.93180	2.7
73.02908	1.5
82.99865	1.6
84.08146	1.1
85.02908	2.3
86.09702	42.5
86.27995	0.7
87.10023	1.3
91.03968	1.5
96.04495	1.2
97.02920	1.3
97.06520	4.1
98.23415	1.0
98.97580	5.8
98.98447	3.9
100.02487	1.6
101.00870	15.3
106.02927	2.3
110.07174	1.9
115.03960	1.2
116.98633	2.3
118.03510	4.4
119.01915	30.8
123.05547	36.6
125.27933	0.7
131.01903	3.0
137.02959	5.3
144.08711	0.8
154.03435	0.9
155.05556	1.1
156.07697	1.0
168.08784	2.9
172.04509	0.8
173.02942	1.2
177.16594	0.8
186.09752	31.5
187.09930	1.2
189.60033	1.0
191.04291	0.9
197.06659	1.9
204.10802	7.7
214.09222	42.9
215.07724	2.1
219.02071	1.3
232.10286	100.0
232.96417	1.0
233.10463	2.5
241.24506	0.8
243.08856	1.9
244.08751	1.4
252.09392	2.7
252.59457	2.4
253.09306	1.2
255.09683	1.1
255.12103	1.1
255.14572	1.8
255.56700	0.8
259.00052	1.4
261.08215	1.1
261.58551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04373	0.6
55.01869	3.6
55.05503	0.9
57.03434	18.9
58.49430	0.6
65.03941	1.1
67.05518	0.7
69.07063	1.1
71.04972	1.2
75.04474	9.5
77.03905	0.8
78.04697	0.7
79.05477	2.0
81.07042	1.7
85.83684	0.6
91.05476	14.8
92.06275	1.0
93.07044	5.2
95.04967	2.0
95.08643	0.7
98.98463	12.1
103.05464	42.5
104.05786	0.8
105.03384	2.6
105.04481	1.3
105.07056	3.1
107.04937	2.4
109.06490	2.3
110.03650	14.5
111.04443	1.0
115.05452	1.1
119.04939	16.6
120.05704	2.6
121.06486	9.1
122.03633	2.5
123.04422	34.0
123.79690	0.7
124.05234	7.7
131.04921	100.0
132.05304	1.7
133.06479	1.2
135.04428	1.9
135.08041	3.9
136.05118	1.1
137.05968	32.7
138.06752	29.0
138.07825	1.1
138.76648	0.8
145.06505	0.7
147.04424	2.2
147.08028	0.9
147.10208	0.6
148.05153	2.2
149.05984	2.6
150.06758	1.2
151.07541	12.7
152.08261	0.6
159.08067	0.8
161.05981	0.8
163.07530	42.6
165.05461	0.9
166.06248	31.6
173.02267	0.6
175.07567	2.5
178.06299	0.9
178.38196	0.7
179.07048	4.8
180.07758	1.8
181.08589	31.9
189.09053	0.8
195.13866	0.7
201.09108	1.1
207.10187	1.5
209.78508	0.6
219.10164	1.5
237.07544	0.7
237.11215	2.2
250.40489	0.6
255.09706	1.3
255.12158	3.3
256.11694	0.8
260.97989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.01867	1.1
55.05515	6.1
57.03445	1.3
57.07077	1.1
62.02942	0.4
67.05505	7.2
69.03415	0.9
69.07069	3.6
70.95628	0.6
71.04986	1.0
79.05492	7.2
81.07057	8.3
83.04992	1.1
83.08614	2.7
85.06535	1.2
85.96429	0.5
91.05479	8.1
93.07049	5.5
95.04972	1.2
95.08603	5.2
97.06538	1.6
97.10163	0.8
98.98457	3.7
99.08057	0.5
103.05482	0.8
105.07031	6.8
107.04925	0.6
107.08598	3.0
109.06505	1.4
109.10148	1.2
109.67336	0.5
111.08076	1.1
115.05431	2.6
116.06270	0.5
117.07026	5.9
119.08578	5.4
121.06506	1.1
121.10150	1.1
123.08076	1.4
125.09628	1.1
128.06221	21.5
129.07016	15.6
130.07817	0.9
131.08569	9.8
133.06471	0.9
133.10114	3.0
135.08041	1.5
135.11728	0.9
141.06989	8.5
142.07777	8.0
143.08560	84.9
144.08961	1.6
145.06491	2.6
145.10117	12.9
147.08080	1.7
147.11668	1.9
149.09639	1.2
152.06291	0.6
153.06996	2.3
154.07753	3.7
155.06017	1.7
155.08549	9.9
156.09335	1.4
157.06454	1.2
157.10126	23.5
159.08081	3.7
159.11678	5.0
161.09602	2.0
165.07008	5.1
166.07762	2.5
167.08557	7.4
168.09346	1.8
169.10124	26.9
170.10722	0.6
171.08028	2.7
171.11681	15.7
172.12003	0.4
173.09608	3.7
173.13338	0.5
175.11244	2.2
179.08545	1.6
180.09343	3.5
181.10107	14.0
182.10901	1.4
183.11700	8.6
185.09648	2.6
185.13223	5.0
187.11159	2.6
193.10110	1.0
194.10892	0.9
195.11688	32.5
196.12326	1.8
197.13261	1.7
199.11185	4.0
199.14821	1.4
200.11993	0.6
201.12704	0.7
207.11745	1.2
208.12520	1.6
209.13235	5.5
211.14819	5.6
213.12784	4.9
213.16316	0.9
222.13980	1.7
227.14337	1.0
227.17973	5.6
237.16382	35.5
238.16690	0.8
249.40390	0.5
255.17430	100.0
256.17755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Canusesnol G
Peak:m/z	Relative Intensity
55.01872	7.1
55.05510	35.0
57.03426	13.7
57.07063	10.1
59.04988	4.3
67.05505	25.4
69.07068	29.7
69.38840	10.8
69.39240	6.0
71.04963	4.3
75.04475	24.3
79.05496	18.0
81.07054	100.0
82.03538	2.8
83.05011	7.4
83.08630	17.8
85.06532	20.4
87.04458	6.2
88.04918	2.9
91.05472	16.1
93.07038	47.0
95.04952	7.3
95.08607	97.3
97.06525	16.2
97.10178	10.1
98.98468	17.4
99.08104	7.7
105.07022	41.0
107.05003	3.5
107.08591	44.9
109.06507	11.6
109.10164	34.7
111.08102	10.0
113.06002	13.7
117.06963	4.3
119.08592	35.4
121.06538	5.6
121.10138	26.0
123.08069	11.2
123.11723	11.1
125.09655	6.2
131.07030	8.9
131.08572	8.8
133.10100	14.5
135.11673	28.6
137.09662	8.0
137.13246	79.5
138.76895	3.3
141.09084	9.9
145.10110	22.7
147.11671	8.2
149.09625	6.4
149.13268	14.7
151.14807	7.4
155.10608	4.7
159.10172	12.0
159.11682	16.8
161.13263	39.6
163.11205	7.4
163.14810	39.3
167.10680	3.4
173.13232	6.0
175.14812	5.6
177.12703	3.6
177.16351	14.2
179.14293	15.2
181.06465	3.0
187.04134	3.2
189.16396	7.1
191.17967	15.1
201.16383	39.0
207.17438	7.3
219.17436	58.6
237.09047	5.0
237.18488	36.0
255.10229	15.2
255.19519	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
55.01863	6.9
55.05504	30.5
57.03437	19.9
57.07066	10.7
59.04982	6.7
59.11480	3.5
65.33266	3.6
67.05499	34.4
69.03430	8.9
69.07054	29.9
69.61787	12.9
69.62138	6.8
71.04997	8.3
71.08632	5.3
71.97861	4.1
75.04475	34.4
79.05499	24.1
81.07053	100.0
83.04979	10.8
83.08618	12.8
85.06523	15.7
87.04479	5.4
91.05490	16.9
93.07047	43.6
95.04975	10.9
95.08603	91.5
97.06523	13.7
97.10162	7.3
98.98459	39.8
99.08073	5.5
99.14316	4.1
100.98886	4.1
105.07027	53.9
107.08585	50.6
109.06516	12.0
109.10151	36.5
109.53297	3.6
111.08067	7.1
111.11701	6.2
113.05997	17.2
113.09627	5.2
117.07043	9.4
119.08598	31.5
121.10149	26.4
123.08064	13.6
123.11703	13.0
125.09634	6.8
131.07024	5.6
131.08542	14.9
133.10106	21.6
135.11694	29.9
137.09610	10.8
137.13240	56.3
141.09122	6.5
145.10103	23.1
147.11722	9.8
149.09608	6.3
149.13266	11.4
151.14839	5.9
159.10269	7.3
159.11700	22.7
161.13226	42.5
163.11188	7.9
163.14824	35.5
167.08548	3.8
167.10693	6.3
173.13266	7.6
175.14771	7.7
177.16376	16.4
179.14304	14.2
189.16388	5.1
191.17894	13.4
201.16393	30.1
219.17433	47.8
237.18456	26.1
255.19427	25.0
279.54977	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.9
55.05504	30.5
57.03437	19.9
57.07066	10.7
59.04982	6.7
59.11480	3.5
65.33266	3.6
67.05499	34.4
69.03430	8.9
69.07054	29.9
69.61787	12.9
69.62138	6.8
71.04997	8.3
71.08632	5.3
71.97861	4.1
75.04475	34.4
79.05499	24.1
81.07053	100.0
83.04979	10.8
83.08618	12.8
85.06523	15.7
87.04479	5.4
91.05490	16.9
93.07047	43.6
95.04975	10.9
95.08603	91.5
97.06523	13.7
97.10162	7.3
98.98459	39.8
99.08073	5.5
99.14316	4.1
100.98886	4.1
105.07027	53.9
107.08585	50.6
109.06516	12.0
109.10151	36.5
109.53297	3.6
111.08067	7.1
111.11701	6.2
113.05997	17.2
113.09627	5.2
117.07043	9.4
119.08598	31.5
121.10149	26.4
123.08064	13.6
123.11703	13.0
125.09634	6.8
131.07024	5.6
131.08542	14.9
133.10106	21.6
135.11694	29.9
137.09610	10.8
137.13240	56.3
141.09122	6.5
145.10103	23.1
147.11722	9.8
149.09608	6.3
149.13266	11.4
151.14839	5.9
159.10269	7.3
159.11700	22.7
161.13226	42.5
163.11188	7.9
163.14824	35.5
167.08548	3.8
167.10693	6.3
173.13266	7.6
175.14771	7.7
177.16376	16.4
179.14304	14.2
189.16388	5.1
191.17894	13.4
201.16393	30.1
219.17433	47.8
237.18456	26.1
255.19427	25.0
279.54977	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.3003
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
50.56079	0.2
55.05511	0.3
56.96567	0.4
57.06814	0.4
57.07079	4.6
58.06590	1.7
59.07423	0.2
60.08166	19.7
67.05495	0.3
68.34161	0.2
70.06559	0.2
71.08631	1.8
71.46076	0.2
73.61700	0.2
83.03236	0.2
85.10183	0.9
95.08591	0.3
97.66409	0.2
98.97588	1.4
102.31990	0.2
105.07042	0.2
116.98661	1.1
123.50372	0.2
128.48793	0.2
128.88002	0.2
131.08661	0.2
134.99629	0.6
145.10149	0.3
256.29990	100.0
256.96356	0.3
257.19104	0.5
257.30298	3.2
274.97583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03956	0.8
55.01865	1.2
55.05506	8.1
57.03447	1.3
57.07063	0.8
67.05501	17.6
69.07066	4.7
71.04980	1.2
76.00526	0.5
79.05492	9.0
81.07051	13.6
83.04980	1.3
83.08599	2.7
85.06542	0.8
86.50920	0.6
91.04941	1.1
91.05477	17.0
93.07040	9.0
95.04949	1.6
95.08602	11.7
96.69073	0.6
97.06522	3.6
98.97578	2.7
105.07024	14.3
107.04929	1.3
107.08578	6.0
109.06506	1.3
109.10150	4.6
111.08066	0.7
115.05435	2.7
116.06213	1.6
116.98576	1.5
117.07016	22.4
119.08577	10.8
121.06471	0.8
121.10117	4.1
123.08075	1.5
125.09617	1.1
128.06230	3.4
129.06998	12.7
130.07764	3.4
131.08559	43.2
133.06502	2.3
133.10117	8.6
134.99719	0.6
135.08054	1.4
135.11703	1.5
137.09642	0.8
139.11118	0.8
141.06967	5.6
142.07755	2.2
143.08557	16.7
144.09302	1.1
145.06485	2.8
145.10117	71.7
146.10457	0.7
147.08022	2.4
147.11655	5.1
149.09608	2.6
153.06967	0.9
154.07712	1.2
155.08548	7.3
157.10130	18.1
159.08023	2.5
159.11682	24.3
161.09596	3.6
161.13242	1.6
163.11151	1.7
165.12750	0.7
168.09311	1.8
169.10132	11.8
171.11676	18.3
173.09590	2.4
173.13255	12.3
175.11217	3.7
175.14894	0.6
177.12743	1.0
181.10103	1.2
182.10867	1.0
183.11676	13.3
185.13229	3.4
187.11192	5.5
187.14799	2.2
189.12717	1.9
197.13228	10.9
199.14789	3.2
201.12695	2.3
201.16287	0.6
211.14774	3.7
213.16371	2.6
215.14388	3.9
215.17950	1.2
229.15840	1.1
229.19514	4.8
239.17937	27.0
257.18991	100.0
258.19394	2.9
268.70490	0.6
274.97467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03953	0.7
54.66482	0.5
55.01849	0.5
55.05511	5.8
57.03420	3.8
57.07064	1.5
61.26739	0.5
65.03923	0.7
67.05161	1.0
67.05501	15.0
67.79071	0.5
69.03404	0.6
69.07066	5.1
70.06549	0.6
71.04985	1.5
71.08627	0.6
71.45965	0.6
72.08138	1.0
77.03928	0.6
79.05489	7.8
81.07051	12.3
82.80158	0.5
83.04993	1.1
83.08620	3.2
85.06537	1.7
90.09189	1.5
91.05474	16.7
93.07026	7.5
95.04949	0.8
95.08601	11.0
97.06516	2.0
97.10163	1.0
98.97565	2.8
99.08089	1.2
105.07021	13.2
107.04977	0.5
107.08591	4.7
109.06509	1.7
109.10142	3.0
111.08043	0.5
115.05452	3.0
116.06230	1.9
116.98588	1.4
117.07013	28.3
119.08570	11.2
121.06520	1.1
121.10152	3.6
123.08110	1.0
128.06212	3.9
129.06996	18.6
130.07759	2.3
131.08559	49.5
133.05580	0.6
133.06508	2.0
133.10124	7.5
135.08020	1.5
135.11665	1.6
137.09602	0.7
141.06967	6.2
142.07779	4.2
143.08556	17.0
144.09303	1.5
145.06441	1.6
145.10114	51.0
146.10498	0.7
147.08070	2.9
147.11687	4.8
149.09583	1.9
151.58029	0.6
154.07729	1.1
155.08534	8.8
156.09262	1.2
157.10117	21.5
159.08060	2.4
159.11681	29.6
161.09595	3.8
161.13246	1.6
163.11205	1.4
167.08559	1.0
168.09276	1.4
169.10117	9.7
171.11674	17.7
173.09622	1.9
173.13249	13.2
175.11189	4.1
177.12758	1.1
181.10092	1.2
182.10898	0.5
183.11676	15.0
185.05920	0.5
185.13246	16.1
186.13704	0.6
187.11128	2.9
187.14787	1.8
189.12737	1.7
193.69099	0.5
195.11670	1.4
196.12386	0.9
197.09415	0.6
197.13249	12.4
198.13728	0.7
199.14819	1.8
201.12790	2.5
201.16385	1.9
210.14096	1.5
211.14789	4.2
213.16348	3.5
214.06259	1.4
215.14265	2.0
215.17921	1.4
228.14807	0.5
229.08577	1.2
229.15807	1.2
229.19450	4.8
239.17938	30.5
240.18381	1.2
257.05856	1.1
257.08170	2.3
257.11472	1.8
257.18979	100.0
257.26434	3.0
258.06903	0.6
258.19348	2.8
258.27902	8.5
274.97406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.89677	1.0
55.05510	6.1
56.96552	1.2
57.03434	15.7
57.07068	3.9
58.07393	1.2
67.05501	13.4
69.07071	5.1
69.62100	2.7
70.06586	1.9
71.08617	1.6
72.08146	4.9
79.05492	8.3
81.07054	10.9
83.04967	1.1
83.08607	3.6
85.06535	1.6
88.07632	2.4
90.09203	4.9
91.05479	14.4
93.07034	6.5
95.08599	7.2
95.67704	0.8
97.06542	1.2
97.10155	1.2
98.22591	1.0
98.97575	9.0
99.08067	3.8
102.09171	1.1
105.07023	13.8
107.08574	4.9
109.06468	2.5
109.10138	2.5
111.08068	1.5
115.05456	3.3
116.06213	1.8
116.98605	4.3
117.07014	30.3
119.08569	10.2
121.10132	3.0
128.06194	4.6
129.07001	24.5
130.07770	3.5
131.08559	35.2
133.06465	1.3
133.10127	6.9
134.99638	1.3
135.11652	1.4
141.07004	5.4
142.07759	3.2
143.08559	18.9
144.09291	1.9
145.06439	1.2
145.10115	53.6
146.10435	0.9
147.08087	1.2
147.11676	5.0
149.09650	1.0
154.07803	1.2
155.08513	6.7
155.41916	1.1
156.09227	0.8
157.10129	23.0
158.10532	1.1
159.11685	39.4
161.09570	1.5
161.13222	1.5
167.08516	1.0
168.04195	0.8
168.09334	2.0
169.10100	12.6
171.11681	11.2
173.09676	1.9
173.13263	13.6
175.11163	2.5
182.10774	1.1
183.11685	11.7
185.13248	63.1
186.13676	1.8
187.11201	2.1
197.13277	8.6
199.14784	1.8
201.12802	1.0
201.16394	5.9
210.13852	1.0
211.14894	3.0
213.16324	1.6
229.19476	6.6
239.17934	25.8
240.18303	1.4
256.26349	1.9
257.18994	100.0
257.26627	15.6
258.19360	2.3
258.27917	28.0
274.97568	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03931	0.9
55.05513	7.0
57.03431	10.7
57.07048	1.3
65.03918	0.8
67.05159	1.2
67.05500	14.4
69.06747	0.8
69.07067	5.8
71.04950	1.1
71.45385	0.8
71.46552	0.6
72.08130	1.0
77.03912	0.9
78.30273	0.6
79.05488	8.8
81.06622	1.1
81.07053	13.6
83.04977	0.7
83.08621	3.5
85.06526	2.2
87.47053	0.7
91.05475	17.2
93.07035	5.3
95.04954	1.0
95.08606	10.7
97.06529	1.1
98.97574	2.5
99.08094	1.7
103.05454	1.1
105.07029	14.4
107.08566	4.3
109.06487	2.1
109.10140	2.2
111.08080	1.2
111.67924	0.7
115.05425	3.3
116.06234	2.4
116.98628	1.2
117.07014	34.7
119.08587	9.1
120.79601	0.6
121.10125	1.7
127.74836	0.6
128.06224	7.1
129.06998	33.5
130.07814	4.1
131.08559	47.8
132.08937	1.2
133.06499	1.7
133.10124	9.7
135.08038	1.3
135.11732	1.2
141.06972	7.7
142.07750	3.8
143.08554	18.3
144.09358	1.7
145.10118	48.9
147.08044	1.4
147.11676	5.3
149.09601	2.0
154.07756	1.4
155.08556	9.6
156.09282	1.4
157.06548	1.1
157.08844	1.4
157.10121	26.1
158.07201	1.4
159.08029	2.0
159.11687	42.8
161.09589	3.7
161.13228	2.2
163.11171	1.0
168.09387	1.4
169.10121	12.8
171.04417	1.0
171.11678	18.5
173.09605	1.4
173.13251	15.9
175.11148	3.1
181.10086	0.8
182.10907	1.3
183.11691	18.2
185.05981	3.5
185.13246	49.9
186.06703	3.5
186.13596	0.8
187.11194	2.7
187.14746	1.3
195.11699	1.1
197.13246	14.0
199.14922	1.7
201.06924	0.8
201.12740	1.2
201.16379	5.4
202.07738	1.3
209.13213	0.7
211.14824	5.4
213.16243	1.5
214.06232	4.4
215.14313	1.7
229.06398	1.9
229.08588	4.4
229.19559	5.7
239.17931	35.0
240.18291	1.0
244.05199	1.0
247.09691	2.8
257.05838	1.4
257.08157	12.4
257.18982	100.0
257.26440	1.7
258.06686	2.0
258.19363	1.9
258.27917	3.8
274.97653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09790	0.4
55.05520	1.4
56.96562	0.7
57.07080	16.5
60.05648	1.3
67.05505	2.2
67.63471	0.4
69.07069	0.5
69.40347	1.8
69.40670	0.4
70.14529	0.4
72.08160	28.7
73.04050	0.7
81.07039	0.8
88.07609	0.4
91.05487	0.4
97.07659	5.1
98.06050	1.0
98.23450	0.9
98.97592	3.3
107.08556	0.4
109.10160	2.0
112.07694	0.5
114.10295	27.0
115.08688	5.2
116.98613	2.2
119.08608	0.6
127.11205	14.4
133.10176	0.5
134.99666	0.6
144.13853	2.8
156.13815	0.7
197.20129	13.9
198.18549	39.4
199.18854	0.9
215.21211	1.3
240.20711	19.0
257.23370	100.0
258.23776	1.9
274.97510	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	8.6
67.05533	13.4
69.07059	12.1
79.05508	21.4
81.03429	9.1
81.07040	19.0
86.09692	10.0
91.05475	11.4
93.07035	15.0
95.05025	10.7
95.08604	11.3
97.06535	63.9
98.97594	10.9
105.07015	14.8
107.08611	15.4
121.06563	8.3
124.00352	8.0
131.08604	9.4
135.11679	13.0
145.10135	9.6
163.03896	41.2
163.11218	20.5
173.02287	19.8
181.12300	10.7
215.07108	20.9
227.12773	100.0
258.19434	11.6
259.09695	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.4
55.56176	0.2
56.96561	10.7
58.06593	0.3
58.74124	0.2
69.57960	0.4
69.58344	0.4
70.06578	0.8
70.68857	0.2
71.41849	0.2
71.95262	0.9
72.08144	0.4
74.00697	0.2
84.04493	0.4
84.08144	2.6
86.09706	0.4
97.02898	0.5
97.07613	0.3
98.23372	0.4
98.97574	100.0
99.97896	0.3
100.02192	4.8
101.00874	0.3
112.07613	0.2
114.05487	0.2
116.98611	57.1
117.98952	0.2
118.03278	0.3
119.01897	1.1
128.07109	0.3
129.10237	1.3
130.10588	0.3
131.01952	0.3
134.99646	20.8
135.23572	0.2
137.02905	0.3
140.00163	1.2
146.02708	4.3
146.08116	0.2
153.00696	1.4
158.01274	0.3
165.36032	0.2
174.97621	0.3
176.04169	1.6
177.00914	0.4
179.00726	0.3
179.09000	0.3
181.97400	0.2
187.10698	0.4
191.02379	0.3
194.05220	3.0
198.97797	0.2
199.07718	0.2
212.06279	0.4
213.06895	1.0
216.98645	0.7
217.08769	0.4
217.98903	0.2
218.05202	2.4
218.08562	0.3
219.02032	0.5
220.02335	0.3
225.96191	0.3
234.99663	1.0
236.06267	2.2
236.98534	0.6
240.98582	4.0
241.09605	0.3
254.07341	1.0
258.99738	56.5
259.99936	2.1
261.00394	0.2
261.03046	0.6
277.00781	57.0
278.00946	2.5
279.01123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99306	0.2
54.19305	0.2
54.98640	0.4
56.96571	9.1
59.41634	0.2
70.01429	0.5
70.06602	0.7
71.73960	0.2
71.95258	0.6
72.08163	0.6
84.08146	2.4
86.09710	0.9
87.10062	0.2
96.04499	1.4
97.04845	0.9
97.75416	0.2
98.22727	0.3
98.97588	100.0
99.97925	0.6
100.97176	0.2
101.00895	0.6
112.00681	0.2
116.98627	45.6
117.98980	0.3
118.98187	0.2
119.01904	1.0
127.52814	0.2
129.10266	0.4
131.01930	0.4
134.99663	11.9
140.00182	0.5
145.03462	0.2
146.16553	0.2
153.00746	0.7
156.42575	0.2
161.02905	0.3
164.74683	0.2
172.12198	0.2
175.04523	0.2
176.04195	1.9
181.97325	0.2
194.05244	2.7
216.98734	0.7
217.01921	0.5
217.08829	0.3
218.05267	1.9
218.08664	0.3
219.02080	0.4
224.54503	0.7
225.04662	0.2
232.10384	0.4
234.99753	0.6
235.03093	0.3
236.06299	2.2
240.98672	3.6
247.11555	0.2
250.06340	0.2
254.07405	1.1
258.99777	50.6
259.99927	1.8
261.03040	0.4
263.02859	0.7
277.00827	49.7
278.01123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
55.05499	0.4
57.07075	3.9
58.06596	0.7
58.07401	0.4
67.05473	0.5
69.07029	0.3
69.95107	0.3
70.06570	0.9
71.08633	2.1
71.22658	0.3
71.46523	0.3
72.08148	13.7
73.08475	1.0
76.35723	0.3
79.05488	0.8
81.07018	0.7
81.95802	0.3
85.10175	0.4
86.09651	0.4
88.07610	1.2
90.09187	11.5
91.05463	1.7
91.09502	0.4
93.07022	0.6
95.08577	0.4
97.06503	0.5
98.97543	0.4
103.05366	0.5
105.06989	1.1
115.05437	5.8
117.06979	1.3
119.08578	0.8
128.06210	5.6
129.06993	17.6
130.07390	0.5
131.08560	5.5
133.10013	0.6
141.06979	31.8
142.07324	0.5
143.04906	0.7
143.08534	2.9
145.06438	1.1
145.10040	0.5
153.06940	0.5
155.06064	0.7
157.06479	10.4
159.08031	4.6
159.11736	0.5
161.05988	0.6
169.06474	14.1
169.07884	0.8
171.08034	0.4
172.05122	0.9
173.05974	1.7
181.06470	0.4
185.05945	1.4
186.06746	0.6
187.07510	15.7
189.09119	1.2
199.07521	100.0
200.07790	2.0
201.07092	0.4
202.07747	1.3
203.08514	0.7
211.07521	1.2
213.09155	0.6
213.97005	0.4
214.25232	0.7
215.07050	0.8
216.05634	0.5
217.08571	21.1
229.08588	1.3
230.07191	0.4
231.04491	0.4
231.08029	0.5
232.08856	0.5
240.26720	0.4
241.19550	0.6
258.27902	56.9
259.07474	4.1
259.09680	40.1
259.20404	1.9
259.28229	21.5
260.08133	1.3
276.97470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19788	0.7
57.07074	5.6
58.06598	1.3
67.05479	1.0
68.14561	0.6
70.06573	0.9
70.11367	1.9
71.08634	1.6
72.08155	18.9
73.08485	1.1
85.10175	1.3
86.80443	0.7
86.86348	0.6
88.07634	1.5
89.49104	0.6
90.09192	13.0
91.05484	2.1
91.09485	1.2
95.08604	0.7
97.06508	0.6
98.97638	0.7
105.07036	1.8
115.05433	3.9
117.06956	1.0
119.08601	1.9
124.07538	0.6
128.06212	3.9
129.06097	1.0
129.07007	13.3
131.08568	5.5
133.10091	1.4
141.06984	29.3
142.90593	0.8
143.08534	1.9
144.05746	0.7
145.10133	1.3
147.11671	1.8
153.06979	1.1
157.06493	11.1
159.08069	3.6
159.11655	1.3
161.06061	0.7
169.06483	14.3
172.94345	0.7
173.05971	2.3
173.13268	0.8
185.05943	1.7
185.13199	1.0
187.07553	14.6
199.07532	100.0
200.07892	1.8
211.07512	1.9
217.08595	24.5
229.08484	1.1
241.19455	1.7
258.27921	68.4
259.09650	40.3
259.20572	4.6
259.28241	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Okicenone
Peak:m/z	Relative Intensity
52.54369	1.4
55.01854	3.3
55.05511	1.6
57.03421	1.8
67.05503	1.6
69.07063	6.8
69.22239	1.6
69.43855	7.0
71.04989	25.3
78.46304	1.4
79.05494	8.8
81.07018	1.7
88.04005	3.1
97.06526	38.3
103.05452	3.6
105.03399	6.9
115.05460	3.0
117.03398	2.1
121.05816	1.4
129.07004	2.3
131.04926	7.2
133.02844	5.4
135.04442	3.2
141.06932	2.3
143.04929	4.2
143.08546	1.7
145.02872	3.3
152.06212	5.9
153.06944	2.7
157.06493	4.9
159.04402	26.9
161.02306	6.0
163.03903	16.1
165.06993	5.7
166.07788	3.0
167.08586	17.1
169.06476	2.5
171.04390	7.6
171.08037	5.8
173.02361	14.4
175.03911	2.0
176.06248	2.8
177.06995	7.8
179.08482	2.3
181.06464	11.0
183.04541	2.4
185.05905	4.3
185.09625	3.9
187.03912	16.0
187.07709	1.7
189.05453	46.4
194.07188	1.9
195.08023	37.1
196.08592	1.6
197.05943	2.7
198.06772	4.9
199.03911	2.7
199.07541	13.7
205.06436	13.9
213.09088	22.1
215.07021	20.5
215.32597	1.7
216.07744	4.1
223.05289	2.3
223.07524	57.4
224.08148	4.0
226.06287	4.7
241.08580	100.0
242.08873	3.6
259.09650	94.2
260.10104	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Okicenone
Peak:m/z	Relative Intensity
51.97125	1.0
55.01870	2.1
55.05492	1.2
57.03421	1.6
59.04995	1.2
67.05502	2.0
69.03416	1.3
69.07059	4.6
69.31530	1.0
69.66463	2.5
69.66850	1.8
71.04996	22.3
79.05492	4.1
81.03416	1.7
81.07057	2.7
85.06567	1.9
89.03911	1.3
91.05459	1.1
93.07034	3.4
95.04967	1.8
95.08610	1.6
97.06531	23.6
98.97575	1.6
103.05486	1.5
105.03383	4.5
105.07014	1.7
107.08607	2.0
109.06512	1.5
109.10127	1.1
115.05482	3.4
117.03418	1.3
117.07010	2.2
119.08576	1.8
121.10152	2.1
129.06998	1.3
131.04912	2.5
131.08583	1.5
131.91899	1.0
133.02856	3.8
135.04407	2.7
135.11694	1.2
141.06992	2.1
143.04945	5.5
143.08560	1.2
145.02896	1.7
145.10110	2.3
147.04398	1.4
152.06244	5.5
153.06993	2.1
157.06480	2.5
157.10150	1.6
159.04402	13.8
159.11687	1.6
163.03906	11.6
165.07018	5.4
166.07777	1.2
167.08540	9.9
169.06454	1.6
171.04431	9.4
171.08047	2.9
171.11685	1.4
173.02357	8.5
175.03964	1.1
176.06219	3.1
177.06982	5.7
178.07748	1.4
181.06506	7.5
183.04510	1.4
185.05923	1.4
185.09602	3.1
187.03926	8.5
189.05467	50.5
194.07179	1.6
195.08043	27.2
198.06735	2.2
199.03786	1.5
199.07533	11.2
205.06485	10.8
209.11690	1.3
213.09117	12.6
215.07033	9.1
216.07782	2.3
217.08554	1.8
223.07544	49.6
224.08191	6.0
226.06261	1.8
231.17497	1.1
241.08591	87.4
242.08932	2.1
249.94202	1.2
259.09662	100.0
259.16953	4.5
259.20605	2.0
260.09943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45070	0.7
55.05502	1.1
56.05035	3.2
56.96571	4.5
67.05502	1.8
69.03444	1.1
69.07088	1.0
69.93021	1.9
70.06578	1.2
72.08155	4.7
74.02438	100.0
81.03416	0.7
81.64130	0.8
83.05012	0.8
83.06112	1.0
84.04500	94.1
84.08143	9.2
85.02900	2.1
85.06549	0.8
86.09689	4.3
95.04940	2.5
97.02911	4.7
97.07660	6.7
98.97576	32.8
100.97196	0.8
101.06029	0.8
102.05541	3.2
102.09224	1.1
110.06026	0.9
111.04436	1.4
113.06020	3.6
114.10280	0.9
115.08701	1.2
116.98620	22.3
122.09713	1.0
129.10161	1.0
130.04997	42.8
130.08636	48.8
134.99641	8.4
141.06931	0.7
143.11815	1.4
147.11211	0.8
150.09137	19.1
154.12250	1.2
169.06531	0.8
169.08611	2.9
182.11790	1.1
187.07565	0.8
196.09674	20.4
199.14534	0.8
200.04689	1.3
200.12816	2.0
215.06853	1.3
224.13914	2.0
241.11768	2.1
242.04269	1.3
242.10188	7.4
242.15012	1.5
245.49568	0.8
255.77032	0.9
258.99759	16.7
259.12912	53.4
259.17450	11.8
260.00043	1.7
260.19724	1.2
276.97656	2.1
277.00751	19.4
278.01065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1694
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
51.02373	1.2
53.03943	1.5
54.13679	1.0
55.01860	2.0
55.05505	6.0
56.96551	1.9
57.07085	5.2
58.94596	1.2
62.06076	2.2
65.03931	1.9
67.05499	16.8
69.07062	6.6
69.26589	5.4
71.08620	2.9
79.05489	23.0
81.07053	26.4
82.12651	1.1
83.04984	2.6
83.08610	2.1
85.10123	1.2
85.44028	1.0
91.05479	28.8
91.06048	1.6
93.07040	62.7
95.04970	7.4
95.08601	45.2
97.06480	1.2
103.05486	1.8
104.59605	1.1
105.04504	3.4
105.07025	64.6
107.04946	1.6
107.08591	38.0
109.06491	3.4
109.10135	6.5
111.04434	16.5
115.05450	2.2
117.07016	10.8
119.04873	1.2
119.07743	2.3
119.08573	37.6
121.06474	1.2
121.10146	14.2
123.08030	3.5
128.06239	2.3
129.06982	9.4
130.07785	1.2
131.08549	19.2
133.06502	1.6
133.10121	10.9
135.07988	1.9
135.11719	1.8
137.05989	1.4
137.09515	1.4
141.06992	2.5
142.07751	6.5
143.08548	21.1
144.09338	1.8
145.10114	16.6
147.08067	7.2
147.11700	6.4
149.13271	3.9
149.29756	1.2
151.07512	4.5
155.08553	14.8
156.09276	2.6
157.06477	3.8
157.10126	27.2
158.10805	1.2
159.08015	3.2
159.11682	22.7
161.13248	89.3
162.13541	1.6
163.07510	4.2
165.09097	20.0
167.08452	1.8
169.10107	4.4
170.07321	2.6
171.08044	5.3
171.11682	17.9
172.94255	2.3
173.09592	3.0
173.13234	5.6
175.11192	1.9
177.09106	2.5
181.10095	3.9
183.11597	1.6
184.08907	1.5
185.09619	16.7
185.13196	6.8
186.10374	1.5
187.11159	1.4
187.14804	3.2
189.09079	2.2
190.95316	1.6
195.11688	2.4
195.95744	2.1
197.09647	2.5
197.13242	10.2
198.10478	1.5
199.11169	14.7
199.14803	41.2
200.11813	1.2
201.16379	2.5
203.10687	5.6
211.11044	2.2
212.11909	1.7
213.12927	2.5
213.16353	25.9
213.96947	1.5
215.17880	1.4
217.12228	2.7
223.14908	7.1
231.13814	1.2
236.93529	1.3
238.00146	1.1
241.15854	100.0
241.19727	2.6
242.16161	2.7
258.09357	1.1
258.27905	13.8
259.16919	82.1
259.20407	6.5
259.28210	19.5
260.17218	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.20988	1.5
53.90196	1.6
54.41082	1.5
55.05516	8.9
56.50037	1.7
57.07067	3.8
64.14025	1.8
67.02731	1.7
67.05491	7.8
69.07069	30.1
69.12889	10.3
71.04991	26.2
76.22819	1.6
79.05488	5.6
79.81295	1.6
80.77748	1.7
81.07051	16.2
83.04957	5.2
83.08607	7.8
85.06538	18.5
89.50806	1.6
91.05473	6.7
93.07039	10.6
95.04999	1.8
95.08602	12.8
97.06497	4.8
98.22713	4.3
105.07024	23.8
107.08589	16.0
109.06515	9.0
109.10150	14.9
111.08063	13.9
117.07006	5.4
119.08572	48.9
121.10137	8.8
123.08099	2.9
123.11710	23.3
128.73709	1.8
131.08568	8.2
133.10132	27.3
135.08052	19.9
135.11697	3.5
137.09612	4.7
137.13188	2.3
142.07663	2.0
143.08501	6.3
144.09360	2.4
145.10118	25.6
147.11668	14.3
149.09593	2.6
149.13229	2.1
151.11191	1.8
154.26086	1.7
157.10146	9.1
159.11688	22.9
160.12456	2.2
161.13268	26.3
171.11656	17.9
173.13271	10.3
175.14818	100.0
176.15512	7.5
177.12730	3.8
177.16383	3.1
185.13301	13.1
189.12752	7.5
189.16357	5.9
191.14272	2.0
199.14851	3.1
201.16374	25.0
203.14352	12.1
215.17950	4.6
217.19469	2.5
241.19525	20.4
259.20566	98.6
260.20993	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
58.06602	0.6
59.29950	0.2
63.94931	0.3
68.05006	0.3
69.56702	0.4
69.57078	0.5
70.06585	0.6
72.04527	0.4
72.08148	0.3
74.06074	11.8
82.06592	1.1
85.02897	2.3
86.06059	2.0
98.06049	2.1
100.07607	1.3
110.06038	0.6
128.07065	8.2
131.63513	0.3
146.08109	100.0
147.08441	1.0
168.31288	0.2
212.90933	0.3
260.18555	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05458	0.1
53.47600	0.1
55.01858	0.2
55.05495	0.1
56.05032	0.2
57.03430	0.2
58.06592	0.1
60.04517	0.2
63.91120	0.1
68.05025	1.3
69.03427	0.8
70.06596	0.4
71.04959	0.1
71.46491	0.1
72.04513	2.2
72.05982	0.1
74.06075	1.2
80.05006	0.6
82.06593	0.6
84.04498	0.1
84.08147	0.5
85.02903	0.6
85.03334	0.1
86.06074	0.6
98.06048	3.6
98.97546	0.1
100.07578	0.5
104.76067	0.1
110.06036	0.2
112.38539	0.1
114.09148	0.4
128.07072	1.5
146.08112	100.0
147.08495	0.8
198.14822	0.2
216.15990	0.1
224.16574	0.1
242.17441	0.4
260.18558	12.4
261.18878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05508	8.9
55.89477	1.7
59.04993	3.4
66.88000	1.7
67.05479	11.2
68.99854	1.8
69.07061	5.0
69.56252	3.6
69.56597	4.7
71.04987	10.0
72.08145	2.0
79.05494	11.3
81.03406	16.0
81.07054	13.1
81.92059	1.6
83.04981	8.3
83.08621	8.0
83.80927	1.9
85.06565	2.3
91.05479	15.1
93.07030	9.9
95.04980	5.6
95.08601	5.4
97.06524	5.3
98.23438	2.1
103.05459	9.9
105.07004	9.9
107.08585	10.1
109.06545	2.6
111.08105	4.0
114.10297	10.9
115.08682	5.0
119.08589	5.9
121.10147	8.7
129.06990	4.1
131.04921	67.0
131.08575	10.2
133.10130	14.4
147.08012	2.2
147.11690	8.5
149.09618	9.7
157.10086	10.0
175.11163	12.6
193.12227	29.9
196.68851	2.1
197.15408	2.0
201.13878	6.3
202.12276	13.8
211.13278	100.0
212.13661	2.8
216.07422	1.9
217.06566	1.7
225.14891	7.1
244.14388	6.3
261.17102	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.031
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
52.63963	0.2
53.20185	0.2
56.96562	0.3
69.69928	0.2
69.78396	0.3
69.78790	0.3
82.99892	0.4
93.10020	0.2
98.97586	2.1
101.00890	3.7
116.98640	0.9
119.01930	4.5
128.34776	0.2
134.99730	0.4
137.02972	0.2
139.76482	0.2
140.98807	0.9
158.99908	2.3
165.98349	0.2
175.03059	0.2
177.00964	9.6
178.01132	0.3
182.99838	0.8
199.03018	0.3
201.00964	3.0
201.10773	0.2
216.05365	0.2
217.04146	2.1
219.02020	16.0
220.02248	0.9
221.02132	0.2
225.00871	2.3
225.02917	0.2
238.95599	0.2
242.03409	0.2
243.02014	14.0
244.02190	0.7
256.96594	0.8
261.03073	100.0
262.03223	5.7
263.03308	0.5
264.33719	0.2
266.03894	0.2
279.00592	1.1
279.98196	0.4
284.04684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.5
60.05644	0.7
69.19584	2.1
69.19915	0.4
72.08154	6.3
73.04037	0.6
76.72711	0.3
79.86754	0.3
87.78994	0.3
95.04969	0.5
97.07644	2.1
98.06052	1.2
103.05469	15.8
114.10292	20.3
115.08685	7.5
115.10552	0.3
116.77027	0.3
131.04929	100.0
132.05247	1.2
144.69228	0.3
148.07635	0.7
201.11986	0.7
201.13869	13.5
202.12273	22.1
219.14952	1.2
244.14438	13.7
261.17108	64.2
262.17456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	35.2
56.05038	3.8
57.07072	9.9
58.06590	3.3
59.04984	3.7
60.04520	2.0
62.97538	0.7
67.05482	0.9
69.07066	16.9
69.57944	1.5
71.04983	0.8
71.86065	0.6
72.08154	1.6
73.06547	1.3
81.07026	0.8
83.06096	1.7
84.04498	100.0
84.08121	1.1
85.02921	3.8
85.04849	0.8
86.09703	5.4
97.10163	60.4
98.10517	0.8
98.97552	1.4
101.07144	1.3
102.05537	7.2
114.12800	92.6
115.11193	5.5
115.13038	0.7
123.08002	0.7
130.04996	32.3
132.10187	1.9
132.13832	88.1
147.07597	1.9
148.06000	1.1
156.06528	1.7
180.13792	1.6
184.13269	1.0
197.16454	1.4
198.14897	11.9
213.37737	0.7
226.14354	6.1
243.17020	79.3
244.15387	22.8
244.17459	2.1
261.13373	1.5
261.18079	31.1
268.68610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88149	0.4
53.03931	1.3
55.01854	0.5
55.05252	0.8
55.05503	10.3
55.08237	0.4
57.03423	1.1
57.07078	2.5
65.03908	0.9
67.05498	30.6
69.06704	0.8
69.07059	9.9
69.29538	2.5
71.04990	2.2
71.08617	0.9
72.01730	0.5
77.03908	1.7
79.05486	41.7
81.07049	33.6
83.04974	1.0
83.08607	4.6
85.06527	2.3
91.05468	20.8
93.07034	54.8
95.04960	4.9
95.08596	25.1
95.09215	1.1
97.06518	3.0
97.10159	2.3
99.08072	2.3
103.05450	0.8
105.04523	2.2
105.07018	14.3
107.04939	0.6
107.08580	36.7
109.02972	0.6
109.06528	1.3
109.10143	11.3
109.10880	0.8
111.08060	1.8
111.11717	0.5
113.09666	0.7
117.07017	4.7
119.06026	1.0
119.08572	11.6
121.10133	30.4
122.10420	0.7
123.08090	0.7
123.11697	3.5
125.09636	0.6
130.07849	0.5
131.04874	1.7
131.08559	10.4
133.10114	9.0
135.11681	27.0
136.11914	0.6
137.09608	1.6
137.13249	1.7
145.10107	10.3
147.02518	0.5
147.11662	7.9
149.13237	22.9
151.11151	0.7
151.14819	0.9
153.12720	0.7
158.47513	0.4
159.11673	7.4
161.13228	8.4
163.11168	0.8
163.14810	11.4
165.12772	0.8
173.13235	7.0
175.14798	4.2
177.12778	0.7
177.16393	3.3
179.14291	0.7
187.14795	4.4
189.16348	1.3
191.14227	0.6
201.16397	1.7
205.15791	1.1
215.17955	2.2
217.19456	0.6
219.17465	0.6
233.22533	0.7
243.21060	18.8
244.21242	0.8
260.18896	0.5
261.22110	100.0
262.22430	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02370	0.4
51.14386	0.3
53.03951	1.5
53.39986	0.4
55.01862	1.1
55.05291	0.2
55.05514	14.1
57.03434	1.7
57.07073	4.0
65.03947	1.7
67.05508	37.7
68.05860	0.4
69.03410	0.5
69.07069	12.2
69.72481	0.9
69.72874	0.7
71.04989	1.8
71.08637	0.8
77.03922	2.2
78.04769	0.5
79.05497	56.3
81.07060	46.2
82.07371	0.4
83.04991	1.0
83.08618	6.0
85.06546	3.3
85.10183	0.4
91.05016	0.4
91.05482	27.3
93.07048	73.9
94.07380	0.8
95.04966	4.6
95.08610	31.6
97.06544	2.6
97.10155	2.0
99.08087	2.5
105.04552	1.9
105.07035	17.9
107.08598	46.2
108.08897	0.6
109.06528	1.9
109.09412	0.7
109.10162	13.6
111.08073	2.7
111.08723	0.4
113.09695	1.1
113.41580	0.4
117.07012	6.3
119.06084	1.2
119.08587	13.4
119.09418	0.8
121.10148	36.2
123.08081	1.0
123.11711	4.2
125.09612	0.9
129.07034	0.7
130.07767	0.4
131.04941	0.8
131.08572	13.8
133.10130	11.9
135.11696	30.4
137.09645	1.4
137.13249	1.5
139.11142	0.5
145.10127	13.1
147.11693	9.7
149.09610	1.1
149.13261	21.3
151.11180	0.5
151.14815	0.7
153.12704	0.8
159.11722	8.6
161.13261	9.7
163.14836	12.3
165.12781	1.0
173.13260	8.8
175.14784	4.1
175.16154	0.4
177.12830	0.6
177.16408	3.1
179.14320	1.5
187.14841	5.4
189.16455	0.4
191.14302	0.7
193.15933	0.5
201.16389	2.8
205.15858	0.8
215.17950	1.4
217.19604	0.5
219.17455	1.2
233.22693	1.1
240.59441	0.4
243.21089	21.5
244.21416	0.5
261.22144	100.0
262.22446	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02380	0.3
53.03952	1.0
54.18012	0.3
55.01874	0.6
55.05512	11.1
57.03436	1.1
57.07077	3.2
59.05007	0.6
62.35867	0.3
65.03938	1.2
67.01611	0.3
67.05505	30.7
69.07065	9.3
71.04977	1.9
71.08639	1.4
77.03925	2.2
79.05493	47.0
81.07056	34.7
83.04982	0.7
83.08131	0.5
83.08616	5.8
85.06550	2.2
91.05477	20.3
92.05827	0.3
93.07044	62.3
94.07369	0.9
95.04975	4.2
95.08605	26.2
97.06533	2.4
97.10191	1.8
98.22714	1.3
99.08101	2.6
105.04508	1.2
105.07031	15.1
107.08594	39.3
109.06515	1.9
109.10157	10.5
111.08069	2.0
111.11728	0.4
113.09658	0.7
117.07012	5.0
119.06101	0.9
119.08583	11.8
121.10144	34.5
122.10455	0.3
123.08092	1.2
123.11732	3.4
125.09653	1.0
129.07022	0.6
130.07770	0.4
131.04874	0.4
131.08562	10.6
133.10129	10.2
135.11688	29.2
136.12000	0.6
137.09625	0.9
137.13261	1.2
139.11151	0.6
145.08968	0.5
145.10126	10.5
147.11682	8.9
147.12846	0.4
149.09601	1.0
149.13254	20.3
150.13522	0.3
151.11159	1.0
151.14790	0.7
153.12753	0.9
159.11694	8.7
161.13258	8.9
163.14819	12.4
165.12781	0.8
167.14322	0.3
173.13252	8.1
175.14806	3.6
177.16368	3.2
179.14273	0.9
185.13300	0.3
187.14821	6.4
189.16425	0.8
191.14352	0.5
193.15839	0.3
201.16351	2.6
203.17928	0.3
205.15857	0.9
215.17946	0.9
215.52080	0.3
219.17397	1.0
233.22655	1.0
235.29401	0.3
243.21080	22.1
244.21457	0.6
261.22131	100.0
262.22400	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03947	1.5
55.01867	0.9
55.05507	10.4
57.03437	1.4
57.07068	2.7
59.98669	0.4
65.03939	1.1
67.05502	33.1
69.07066	10.2
69.07446	0.7
71.04991	1.9
71.08624	0.9
77.03940	1.4
79.05490	46.6
81.07054	36.4
83.04977	0.9
83.08609	5.0
85.06530	2.2
85.10182	0.5
91.05479	22.6
91.20779	0.4
93.07042	61.4
93.90866	0.4
94.01278	0.4
94.07358	1.1
95.04965	5.0
95.08603	28.5
97.06512	2.5
97.10164	1.8
99.08095	3.3
103.05480	0.6
105.04521	2.0
105.07030	14.4
107.08591	40.3
108.08904	0.6
109.06523	1.9
109.10154	11.2
111.08073	2.0
113.09641	0.9
117.07021	5.8
119.06032	0.7
119.08574	12.3
121.06553	0.4
121.10141	33.8
122.74448	0.5
123.08086	0.9
123.11691	4.5
125.09621	0.9
131.04892	1.1
131.08566	12.4
133.10124	11.8
135.08067	0.5
135.11687	28.7
137.09642	1.4
137.13258	1.2
145.10118	12.4
146.71404	0.5
147.11681	8.2
149.09619	1.4
149.13254	20.1
150.13518	0.6
151.11186	0.8
151.14859	0.7
153.12749	0.8
157.10068	0.5
159.11678	7.4
161.13248	10.5
163.11209	0.7
163.14816	13.2
163.16193	0.8
165.12836	1.0
173.13264	8.7
175.14809	4.2
177.12817	0.7
177.16360	3.0
179.14316	1.7
187.14807	4.7
191.69249	0.5
193.15932	0.8
201.13936	0.4
201.14674	0.4
201.16345	2.9
203.18030	0.5
205.15965	1.0
213.79489	0.4
215.18025	1.2
219.17377	0.8
233.05904	0.6
233.22646	1.3
243.21086	20.8
255.48744	0.5
261.05511	0.9
261.12970	1.1
261.22122	100.0
262.22488	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60871	0.4
53.26653	0.4
53.33261	0.5
53.48702	0.4
58.06600	0.8
59.07369	0.5
60.08149	0.9
64.37791	0.5
70.06594	0.8
70.35266	0.9
82.99866	1.6
84.08147	1.1
85.02896	1.2
85.08493	0.5
86.06092	0.6
87.04470	1.0
89.97058	0.4
97.02857	0.9
98.97609	0.8
101.00885	20.9
104.05237	0.5
104.10756	3.7
105.00344	0.9
105.20953	0.5
111.07983	0.5
113.00868	4.3
118.08665	30.3
119.01926	36.3
120.02052	0.9
121.01650	1.6
131.01912	12.6
133.03433	2.5
137.02972	4.4
143.01907	41.9
144.02063	0.7
145.03488	1.6
145.14479	1.1
146.09265	6.4
146.11795	0.7
146.15396	4.8
149.02962	1.0
155.01895	6.3
157.03505	2.8
159.01395	0.5
161.02968	100.0
162.03108	1.3
167.01910	1.0
171.05098	0.6
173.02985	19.5
175.04546	1.7
179.00693	3.9
179.04042	2.5
184.04568	1.7
185.02937	4.0
187.04568	0.6
191.04033	13.3
197.03091	0.8
203.04027	24.8
204.04074	0.7
215.03918	0.8
219.01941	0.5
219.03886	1.2
221.01804	6.2
221.04956	3.5
233.05092	1.1
239.06128	1.2
239.98502	0.6
245.01836	5.0
245.05196	1.5
246.72258	0.5
248.79276	0.5
261.03049	0.7
263.02872	30.1
263.06134	23.0
263.12976	0.5
264.02957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	2.4
69.07056	1.2
69.30099	1.9
70.99834	0.6
72.08172	3.6
74.07215	2.4
75.64868	0.4
82.99828	2.8
85.02910	1.2
86.09708	3.7
86.99323	0.9
87.04479	1.5
91.79932	0.5
94.99783	0.6
97.02882	0.6
99.04427	0.5
101.00883	24.5
104.10735	1.7
113.00879	6.0
114.10298	0.8
115.02400	0.5
118.08658	15.5
119.01926	24.7
119.09038	0.5
123.92760	0.4
128.11826	0.5
131.01917	13.2
137.02954	1.9
142.03531	0.6
143.01906	54.6
144.02066	1.3
144.13625	0.5
145.03430	0.7
145.14502	7.8
145.17012	2.4
146.09209	1.6
146.11771	1.3
146.15431	13.1
146.17184	0.8
149.02922	1.3
155.01883	10.6
155.36038	0.6
157.03471	1.2
158.87100	0.5
161.02960	100.0
162.03087	2.8
167.01889	0.9
173.02975	26.5
175.04546	0.9
179.03998	1.8
184.04550	1.8
185.02992	4.7
191.04013	14.5
197.02919	0.7
203.04015	30.0
204.04147	1.2
208.91043	0.5
215.03958	0.5
221.05058	3.9
233.05072	1.3
239.06035	0.5
263.06119	26.0
264.06467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38659	0.4
51.07468	0.5
53.07014	0.4
53.72784	0.4
55.05499	1.4
55.69092	0.4
56.54720	0.4
60.05639	1.0
68.82368	0.5
69.64832	1.7
70.06584	1.2
71.04975	0.6
72.08154	29.4
73.04041	0.6
79.05477	0.5
80.31073	0.4
81.07082	0.5
83.08665	0.4
91.05450	3.7
93.07032	0.7
97.07652	5.6
98.06051	1.0
98.23445	0.6
104.99260	2.5
105.07027	48.7
106.07352	0.6
107.04862	0.4
114.10287	23.2
115.08683	6.1
121.10115	0.7
131.04926	0.5
132.08093	0.7
133.06490	20.9
162.09102	0.8
203.15437	18.5
204.13829	44.1
205.14159	1.4
221.16443	2.0
237.03949	0.4
245.44798	0.5
246.16000	20.7
263.18661	100.0
264.18930	2.7
268.80273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.6
55.05509	16.0
57.03430	1.4
57.07072	11.8
65.03939	2.0
67.05502	90.5
68.05794	1.3
69.07064	15.9
69.59535	3.2
71.05002	2.3
71.08634	5.5
79.05485	18.9
81.07053	100.0
82.07404	0.9
83.04990	2.6
83.08121	1.5
83.08617	16.2
85.06534	3.2
85.10179	3.4
91.05477	17.0
93.07039	22.5
95.04973	1.7
95.08601	83.8
96.08974	1.4
97.06512	7.7
97.10176	6.9
99.08099	4.7
104.99266	19.6
104.99971	1.3
105.07024	9.8
107.07915	1.6
107.08590	13.7
109.06535	1.4
109.10150	45.2
110.28234	0.8
111.08089	4.5
111.11694	1.7
113.09645	3.1
119.08582	12.7
121.10139	15.7
123.08083	2.3
123.11705	18.1
125.09583	1.4
127.11182	1.0
131.63318	0.9
133.10124	13.3
135.11691	9.9
137.09608	2.7
137.13248	8.4
141.12730	2.0
147.11667	10.6
149.13255	9.2
151.14792	6.7
155.14311	2.6
161.13255	8.7
163.14798	8.1
165.16368	7.9
168.81512	0.8
175.14801	6.2
177.16328	2.0
179.17963	4.3
181.15839	1.3
184.52533	0.8
189.16360	2.7
194.37469	0.8
203.17998	1.6
205.19522	1.1
217.19522	2.3
219.21342	0.9
245.22635	29.6
246.22919	1.4
263.23700	82.0
264.24005	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	100.0
67.98170	1.0
69.92844	1.5
72.96049	1.4
74.97598	1.0
76.32157	0.6
83.97622	1.7
98.97570	20.3
112.97865	1.0
116.98621	8.1
120.08128	0.9
122.07145	1.4
134.99623	1.7
144.04808	0.6
144.96791	1.3
149.02699	1.4
163.00642	0.8
165.02252	3.3
167.03802	1.0
176.03824	18.4
177.02133	0.8
178.05377	33.5
179.05821	0.7
181.01822	0.7
181.29358	0.7
183.03273	6.4
186.02284	1.2
188.73755	0.6
190.01723	1.0
192.03320	2.1
194.04869	4.4
196.04669	1.1
196.06444	16.7
201.04370	3.5
204.03288	12.5
208.02798	4.4
210.04350	1.4
214.32719	0.6
219.03441	0.7
222.04358	91.5
223.04559	1.8
226.03877	1.7
240.05409	63.8
241.05573	1.0
245.05881	1.8
264.05429	26.9
264.08298	1.5
282.06592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.89646	0.7
55.01890	0.9
56.02017	0.8
57.03438	4.6
57.07070	2.9
60.04530	2.3
61.02935	4.9
63.37540	0.7
67.05470	0.9
69.03428	13.3
69.07068	2.7
69.78146	2.1
69.78554	1.3
70.06572	1.1
71.05006	1.5
73.02928	1.0
81.03425	5.3
85.02908	75.9
86.03245	0.8
87.04477	0.9
91.03947	1.4
91.35048	0.8
93.07063	0.9
97.02898	12.0
99.04446	2.2
102.09184	100.0
103.09512	0.8
105.07037	1.4
109.02879	7.1
110.93794	0.7
115.03957	1.5
122.07137	1.7
127.03929	10.3
131.08469	0.7
134.09656	0.8
145.04964	7.5
159.04373	0.8
163.05965	0.9
189.06633	0.8
190.07359	2.0
234.10004	7.4
264.16089	1.3
265.11880	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17009	0.7
53.03936	1.0
54.08776	0.7
54.11910	0.7
55.01869	1.6
55.05490	0.8
57.03442	3.2
57.07065	2.4
60.04526	2.8
61.02917	3.7
61.88320	0.6
67.05505	0.9
69.03427	12.4
69.07066	4.2
70.06592	4.3
71.04993	1.2
71.06927	0.9
73.02904	1.0
75.94132	0.5
76.10864	0.6
81.03415	4.0
85.02903	72.9
91.03957	1.4
91.05487	0.7
97.02895	11.5
99.04453	2.5
101.02352	1.0
101.23945	0.5
102.09177	100.0
103.05475	0.7
109.02868	6.7
116.05821	0.7
116.07086	7.5
117.07454	3.5
120.08117	5.9
120.08922	1.0
121.08436	7.1
122.07147	1.7
127.03913	12.0
138.37271	0.6
145.04950	6.7
163.06065	0.9
176.07903	1.1
190.46112	0.7
204.07382	1.2
218.08134	1.0
246.20624	0.8
264.09192	1.1
264.13873	1.2
264.16074	2.2
264.21909	0.7
278.77188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1597
Annotation	(-)-Pyridoxatin
Peak:m/z	Relative Intensity
52.12181	0.3
55.05509	0.5
67.05495	0.4
79.05470	0.4
81.07049	0.3
91.05479	0.9
91.13835	0.3
93.07045	0.4
105.07037	0.8
113.83273	0.3
117.07041	0.4
118.06550	2.6
119.08596	1.0
119.65111	0.3
122.07164	0.5
129.07007	0.4
130.06516	0.6
131.07332	0.3
131.08574	0.6
132.08084	1.4
133.05476	0.5
133.09999	0.3
134.05833	0.5
143.08522	0.4
144.08086	7.1
145.06465	0.5
145.08893	0.7
146.09613	1.8
158.09645	2.8
159.10428	1.4
160.11208	0.9
172.11237	2.3
176.07048	3.7
176.14339	4.3
188.07143	1.0
188.14331	0.5
190.08621	1.7
191.09436	0.6
192.13850	0.3
202.08418	0.4
202.15909	29.0
204.10201	1.4
206.08157	0.9
216.13850	22.2
217.14119	0.6
220.09669	1.2
234.14899	32.5
235.15158	0.8
246.14906	4.1
264.15958	100.0
265.16379	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
55.05510	10.9
56.05036	0.6
57.05821	0.8
70.06573	0.3
72.08152	100.0
73.08481	0.7
81.04540	0.6
81.17792	0.2
85.02907	0.3
91.05486	0.5
97.02881	0.2
97.13565	0.2
103.05484	0.4
107.04947	0.2
120.08099	13.9
122.07146	5.3
131.04903	0.3
135.10017	0.3
136.06178	0.6
144.04762	1.4
145.02837	1.3
149.05968	0.5
166.08629	11.4
166.42032	0.3
167.09003	0.3
177.05429	2.8
190.52049	0.2
205.08612	0.3
219.14926	0.5
248.12788	0.3
265.10532	0.7
265.15295	14.7
266.09851	0.6
266.15857	0.9
285.76016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03941	1.2
55.05515	9.3
57.07080	1.7
65.03941	2.5
65.17340	0.7
67.05508	98.1
69.07074	9.9
69.67619	1.4
69.68024	2.4
71.04992	1.9
79.05497	12.7
81.03436	1.9
81.07061	100.0
83.04995	1.8
83.08629	5.3
85.06546	1.0
91.05482	4.2
93.07055	12.2
95.04983	2.3
95.08611	90.3
96.08960	1.7
97.06547	1.4
97.10175	2.2
98.22752	1.7
98.23360	1.7
105.07031	3.8
107.08599	7.4
109.10162	70.7
110.10549	1.1
117.07020	2.3
119.08618	2.6
121.10163	6.6
121.87022	0.9
122.07167	2.3
123.08067	1.4
123.11710	34.2
131.08577	3.7
133.10138	3.4
135.08090	0.8
135.11696	4.0
137.09637	1.2
137.13255	6.6
145.10167	1.9
147.11678	2.2
149.09598	1.7
149.13242	4.0
151.11197	2.6
151.14871	1.4
151.60889	0.8
159.11708	2.1
163.11150	1.8
163.14891	2.2
165.07057	0.8
165.12775	1.4
173.13257	4.0
177.12747	1.6
179.08571	1.1
181.12265	1.7
187.14870	1.4
191.14241	1.3
195.13829	3.2
209.15405	3.3
219.17502	1.4
222.06686	0.8
223.16978	2.4
229.19513	3.1
247.20587	4.0
265.05844	1.1
265.08627	10.5
265.18167	6.0
265.21652	71.0
266.08868	1.1
266.22076	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	18.2
57.57987	0.7
67.05500	2.2
70.58913	1.0
76.18742	0.8
81.07060	2.8
87.04458	28.6
93.07008	0.8
95.08588	2.0
104.99300	0.9
109.02951	0.7
109.06509	1.1
115.03922	100.0
116.04240	1.0
120.04465	8.4
128.44125	0.8
132.04388	1.0
146.06004	1.6
152.07063	4.1
174.05487	11.4
197.20735	0.8
202.04987	19.7
208.13356	3.3
213.86044	0.7
234.07584	16.1
249.14761	0.9
261.03156	1.6
266.10391	0.9
266.17868	2.6
267.15527	0.8
267.21149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
57.07062	0.8
58.99568	1.3
59.05000	0.6
61.01136	1.1
62.99076	4.6
65.03926	0.7
67.05500	38.1
69.07064	2.5
69.78350	1.8
71.04989	6.3
74.06092	2.6
76.02207	0.6
77.00613	2.8
79.05482	3.8
81.07046	6.4
83.08612	1.4
84.04502	2.3
85.01103	0.7
85.02889	0.6
85.06535	6.4
87.02694	1.1
88.02200	2.1
88.03982	6.4
89.00609	8.0
97.10164	3.6
99.02616	0.6
99.08101	0.8
101.04223	0.5
103.02138	0.6
104.10739	2.2
105.03722	0.7
107.08600	3.7
109.10150	25.4
115.05799	0.5
120.04469	3.9
120.08109	1.5
122.02725	2.0
122.07155	0.7
123.07515	0.6
125.09619	1.7
127.11172	4.7
136.07491	0.6
138.05492	0.9
141.07310	2.1
147.57297	0.5
152.05666	3.5
159.08380	100.0
160.08755	2.2
166.08626	1.1
167.44009	0.5
177.09419	8.2
184.39519	0.4
187.40663	0.4
199.45418	0.6
208.13268	0.7
213.09467	1.3
218.34734	0.5
230.12076	3.1
231.10463	5.9
248.13148	6.9
261.03021	1.1
266.09995	0.7
266.14102	2.2
266.16168	1.8
267.13660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18447	0.4
52.80292	0.4
53.03957	0.5
55.01854	1.0
55.05507	4.9
57.03418	0.6
57.07068	2.2
60.04494	0.5
62.99075	6.5
67.05504	2.8
67.75146	0.5
69.00267	0.5
69.03413	1.2
69.07064	35.6
70.02953	2.5
71.46153	0.5
73.02927	0.7
74.00645	0.9
77.00634	1.1
81.03420	1.6
81.07056	0.7
83.08620	1.1
84.04492	3.5
85.02917	2.4
86.27521	0.5
87.00822	1.4
87.02670	2.9
88.03987	100.0
89.04340	1.2
91.05505	0.7
92.01669	0.6
95.08638	0.5
97.02914	0.8
98.06060	0.6
99.04477	1.0
101.04261	0.5
101.72311	0.5
102.98506	0.8
104.10753	0.6
105.01906	0.7
108.04491	3.1
109.02889	0.7
109.10146	1.2
111.11722	2.8
117.07986	0.5
120.01167	0.9
120.04471	4.3
120.99551	3.9
122.07135	0.5
126.05516	1.7
127.03919	1.9
130.04993	1.1
138.02194	4.6
138.05490	1.4
143.08893	2.0
161.09946	32.3
162.10300	0.7
174.06346	0.5
182.15471	0.5
208.13332	0.9
220.13518	0.6
248.13103	4.2
249.11557	1.7
251.07083	0.5
266.14038	5.7
266.17551	3.1
267.12485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01857	0.2
57.03427	0.9
58.06371	0.2
58.06624	0.4
59.05011	0.3
60.08158	5.2
61.02922	0.9
69.03423	3.0
70.91625	0.2
71.01349	0.2
71.04984	0.3
73.02912	2.8
81.03417	1.2
85.02401	0.3
85.02897	4.7
87.04459	6.6
89.46001	0.2
91.03927	0.2
94.38900	0.2
97.02882	1.5
99.04443	2.3
101.02362	0.3
103.03939	0.6
104.10733	36.5
105.11047	0.2
109.02904	1.0
115.03886	0.2
126.68456	0.2
127.03908	1.4
129.05464	0.8
145.04900	0.2
266.15945	100.0
267.16312	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.8
59.05021	0.9
61.02946	0.9
69.28764	0.8
69.29173	0.7
70.06587	0.3
71.04987	2.0
79.05504	0.8
81.03476	0.3
81.07054	3.4
81.07505	0.3
84.04505	5.5
85.02924	0.2
91.05476	4.8
92.05028	0.8
94.04062	0.9
98.08031	0.2
102.05532	1.6
113.09657	0.5
119.03540	2.2
120.04475	0.6
122.07153	0.3
130.04991	6.6
133.11617	0.2
136.06175	100.0
137.04576	1.0
137.05734	0.4
137.06598	0.7
148.06010	2.1
150.07687	0.3
167.40208	0.3
169.33882	0.3
176.14354	0.5
182.55980	0.3
204.13773	1.6
234.13477	17.2
235.13791	0.6
259.66507	0.2
266.15988	49.5
267.16232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1751
Annotation	Ficuseptamine A
Peak:m/z	Relative Intensity
55.05506	0.5
58.25722	0.2
61.02895	0.3
67.05487	0.7
69.89886	0.5
70.06586	0.4
72.55817	0.2
77.70081	0.3
79.05476	0.4
81.03417	0.3
81.07061	0.4
83.08611	0.7
84.04506	1.7
85.02914	0.7
91.05472	0.4
93.05780	7.3
93.06327	0.5
93.07027	0.7
94.06577	3.6
95.08540	0.2
97.02882	0.4
102.09247	0.4
105.03369	0.2
105.06969	0.3
106.06545	7.5
106.07214	0.5
107.07329	0.8
109.10171	0.5
110.06028	0.8
118.06540	1.0
119.07322	0.5
120.04467	3.0
120.08099	5.2
121.06539	0.3
125.14257	0.3
130.05005	0.6
132.08142	0.4
133.08887	0.7
134.09645	2.2
138.05557	1.3
144.08011	0.3
145.05016	0.3
147.10390	0.3
152.05669	0.6
152.06937	0.3
157.10255	0.3
158.09641	0.3
160.11194	0.3
168.06612	0.3
176.14336	11.9
186.12776	0.8
204.13831	26.9
205.14058	0.6
208.13319	0.6
220.09631	0.4
222.14879	3.4
249.11343	0.3
266.17505	100.0
267.12100	0.7
267.17899	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.248
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05488	1.0
56.96547	1.0
58.06581	0.4
59.04992	0.3
67.05486	1.5
67.75568	0.3
69.07056	0.9
70.06580	1.3
71.04975	0.4
71.08627	2.0
79.05472	1.4
80.05017	0.5
81.07054	2.7
82.06551	0.6
83.08609	0.6
84.08142	0.6
86.09696	0.4
91.05470	0.9
93.07024	2.1
94.06584	0.4
94.07345	0.3
95.04949	0.6
95.08583	2.6
96.08140	0.8
98.06075	0.3
98.09679	1.1
105.07008	0.5
107.08545	1.0
108.08102	0.7
109.10140	0.7
109.51849	0.3
110.09653	0.9
112.07600	0.9
120.04472	0.5
121.10113	0.4
122.09639	0.8
123.10443	0.8
123.11711	0.8
123.63622	0.3
124.07589	0.4
124.11230	0.6
133.10106	0.5
135.11649	0.6
136.11205	1.0
137.11969	0.9
137.13254	0.8
138.12743	0.5
140.14339	0.4
145.10085	0.5
147.11707	0.4
150.12775	6.2
152.14325	3.7
155.08539	0.4
161.46193	0.3
164.14346	1.1
165.15103	0.7
166.15895	8.6
168.13840	3.0
168.17479	1.7
178.15887	3.0
180.17432	0.7
192.17462	5.4
193.18201	1.3
194.19032	0.9
208.13321	1.0
209.05942	1.9
210.18707	0.5
211.32272	0.3
213.08015	0.4
220.20605	1.6
222.22148	100.0
223.22459	2.7
224.23723	0.7
225.07941	0.5
231.09026	0.4
237.05450	0.9
243.09042	3.6
248.16351	0.4
248.24007	0.4
261.03088	0.6
261.10046	1.6
264.07266	0.3
266.17618	1.6
266.24762	91.5
267.06427	1.2
267.09067	0.4
267.21060	1.4
267.25104	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0652
Annotation	Aristolide B
Peak:m/z	Relative Intensity
51.02367	0.1
53.03933	0.1
55.01848	0.2
55.05499	0.1
57.03425	0.1
58.14300	0.1
59.62007	0.1
65.03921	0.2
67.05483	0.1
69.07059	0.1
69.77983	0.2
77.03953	0.3
79.01831	0.1
79.05463	0.2
81.07053	0.3
81.45650	0.1
89.03928	0.1
91.05479	1.3
93.07008	0.2
95.04966	0.7
95.08596	0.2
98.98460	0.1
104.99274	0.1
105.03391	0.4
105.04499	0.2
105.06995	0.1
107.08562	0.1
109.06535	0.3
109.10071	0.1
115.05442	0.5
118.04128	0.3
119.04917	0.2
119.08565	0.2
121.02855	0.5
121.10099	0.1
123.50174	0.1
128.06224	0.1
129.06985	0.4
133.02867	0.3
133.03726	0.1
133.10168	0.1
135.04366	0.1
139.05421	0.3
141.06967	0.4
145.02896	0.1
145.06454	0.1
151.03850	0.1
152.06184	0.7
153.06969	1.3
153.08983	0.1
154.07759	0.5
155.04857	0.3
155.06021	0.1
155.08548	2.0
159.11650	0.1
165.06993	4.3
166.07568	0.2
167.08549	0.2
168.05692	3.3
169.06302	0.2
171.04364	0.2
172.58960	0.1
173.05977	0.1
175.14639	0.1
176.06171	0.1
177.07056	0.1
179.14284	0.2
181.06465	0.8
182.07240	0.2
183.08043	1.1
184.05098	0.1
185.06020	0.1
193.06445	1.1
194.07259	1.0
195.08049	0.7
196.05179	1.6
197.05963	0.8
199.03865	0.3
199.14845	0.1
201.05370	0.1
202.44263	0.1
209.05933	1.5
210.06760	1.2
211.07521	18.1
212.04691	0.2
212.07816	0.4
213.05446	0.4
217.05020	0.5
221.05940	2.0
221.08051	0.1
222.06627	0.1
223.07509	0.5
224.04732	0.1
225.05467	0.2
228.04076	0.1
235.17021	0.3
237.05470	0.5
238.06195	0.6
239.07005	26.3
240.07378	0.8
249.05247	0.1
249.07417	0.2
265.02353	0.1
265.04968	1.3
266.05597	0.1
267.06494	100.0
268.06827	3.0
268.09180	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	2.9
65.03951	0.6
70.45792	0.4
70.46129	0.5
70.96002	0.3
84.04514	64.5
85.04829	0.6
92.05013	3.3
92.95782	0.4
102.05559	1.3
116.55757	0.3
120.04477	100.0
121.04823	1.2
130.05013	24.8
138.05515	39.8
139.05798	0.5
147.68048	0.4
158.06079	0.4
185.07098	2.4
186.05515	2.1
204.06572	0.8
232.06129	1.9
233.74486	0.4
249.08722	1.0
250.07014	0.9
267.09790	3.1
267.12265	0.6
273.30884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0975
Annotation	Dinex
Peak:m/z	Relative Intensity
56.05033	2.2
57.51800	0.3
59.79291	0.4
65.03938	0.8
70.70892	0.7
74.09383	0.3
76.44265	0.4
84.04499	66.2
85.02905	0.3
87.66834	0.4
92.05002	3.4
94.06561	0.4
102.05543	1.6
120.04459	100.0
121.04816	1.2
121.06540	0.5
123.86721	0.3
130.04996	24.0
137.83463	0.3
138.05490	40.0
139.05832	0.7
149.98341	0.4
151.59715	0.4
158.06004	1.2
185.07069	3.0
186.05495	2.2
204.06596	0.8
232.06094	1.8
249.08691	1.1
250.07130	1.3
267.09732	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.05513	1.8
57.03449	2.0
67.05506	3.0
68.69791	0.8
69.03429	1.2
69.07076	1.4
69.66692	3.3
79.05495	4.3
81.03417	8.3
81.07060	6.2
83.04939	1.2
83.08627	1.0
84.04491	1.7
90.44682	0.9
91.05485	9.3
93.07041	3.7
95.04945	2.8
95.08611	2.2
98.23415	1.2
98.46532	0.9
98.98438	1.3
100.42897	0.9
105.07005	5.7
107.04954	2.2
107.08598	1.7
115.05461	3.0
116.06212	1.7
117.07053	1.6
117.89107	1.1
119.04972	1.1
119.08568	3.7
120.04483	4.7
120.12155	0.8
121.06509	1.1
121.10084	1.0
128.06270	5.1
129.07004	15.6
131.08591	14.3
133.06479	3.5
133.10124	2.5
134.06900	2.2
138.05504	1.7
141.07025	7.3
142.07788	3.5
143.08524	3.7
144.05667	6.5
145.06470	5.3
146.07225	2.3
147.08051	1.1
147.11691	2.4
155.06084	1.4
156.05768	1.3
157.06499	4.3
157.10164	1.5
158.07097	1.2
159.08047	20.6
161.05994	2.7
161.09654	5.1
169.07639	2.1
170.07259	4.7
171.08058	4.2
172.05196	2.4
173.05972	3.1
174.06801	1.2
175.07545	2.0
175.11214	2.6
177.40076	1.1
187.07552	14.5
188.08191	1.1
189.09087	6.6
191.06912	1.3
193.12225	1.8
198.06711	1.5
201.05461	1.0
203.06982	3.2
204.07790	10.3
205.08626	1.9
216.07858	2.7
217.08713	1.2
219.10139	5.3
221.11638	2.1
231.10190	4.2
249.11220	100.0
250.11653	1.9
266.24744	1.6
267.12125	2.8
267.15933	10.4
267.20789	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.43398	0.3
55.01867	1.2
55.05261	0.4
55.05512	8.0
57.03439	3.5
57.07063	1.6
67.05164	0.7
67.05509	12.4
69.03421	0.8
69.06712	0.5
69.07067	7.4
71.04983	1.5
71.08639	0.4
71.43759	0.4
79.05499	5.3
81.07059	15.2
83.04971	1.0
83.08192	0.5
83.08629	7.1
85.02908	0.3
85.06557	2.9
91.05482	2.7
93.07050	8.4
95.04980	2.3
95.08608	14.8
97.06536	3.3
97.10164	2.3
98.98477	0.8
99.04459	41.7
99.08085	1.0
100.04832	0.4
102.28595	0.3
104.99265	0.5
105.07035	2.2
107.08604	6.6
109.06509	2.6
109.10167	7.5
111.08078	4.5
117.07030	0.4
119.08575	2.4
120.04485	0.8
121.10156	3.3
123.08060	1.1
123.11665	1.8
125.09641	1.0
127.07594	0.4
131.08554	1.0
133.10118	3.1
135.11739	1.7
137.09563	0.8
141.09081	0.5
145.10158	0.5
147.11726	1.8
149.09593	0.4
149.13257	3.4
151.11108	0.6
159.11676	1.3
161.13280	0.7
163.96922	0.3
167.14359	0.8
173.13231	0.4
177.12813	0.5
189.16370	2.6
195.13791	2.0
197.19006	0.6
207.17493	2.1
211.16895	0.7
213.14706	0.3
214.00192	0.3
221.18971	0.7
225.18495	100.0
226.18796	2.4
229.17986	0.5
231.15807	0.7
239.19960	0.8
243.19569	6.8
249.18535	7.3
267.19354	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Vidarabine
Peak:m/z	Relative Intensity
56.96559	0.7
57.03429	0.8
57.57956	0.2
69.03420	0.7
70.06577	0.3
70.63014	0.2
71.01327	0.2
71.04996	0.3
73.02909	0.6
73.06516	0.4
84.04497	1.7
84.08173	0.3
85.02918	1.0
85.04298	0.2
85.04836	0.7
89.06033	2.7
92.04996	0.3
94.04034	0.3
97.02872	0.8
98.97590	1.2
101.00880	0.6
101.06007	0.7
103.00657	0.2
103.07561	0.3
109.07619	0.4
110.07175	0.8
110.08418	0.6
112.07617	0.3
115.03891	0.3
116.98639	0.7
119.01952	1.2
119.03555	0.6
120.04464	1.8
120.08104	0.9
121.01669	0.8
121.04129	0.2
121.04836	1.8
121.06373	0.2
121.08451	1.1
121.09239	0.2
130.04988	0.6
131.05432	0.2
134.99643	0.3
136.06184	100.0
137.02922	0.2
137.06519	0.7
138.05505	0.6
139.05830	0.8
145.04970	0.4
150.05298	0.3
152.05658	0.4
156.03299	0.8
157.87935	0.3
158.06619	0.3
160.99628	0.3
163.05988	0.3
167.07013	0.3
174.04385	0.9
174.97505	0.2
178.07341	0.2
179.00708	3.1
184.98981	0.2
185.03035	0.2
186.04335	1.4
203.00589	0.3
204.05447	0.7
209.12917	0.2
219.03842	0.4
220.02248	0.2
221.01753	4.2
227.00854	0.4
228.05463	0.7
244.06175	0.8
244.98157	0.8
245.01755	2.3
246.06468	0.5
262.03101	0.3
263.02856	18.8
264.03134	0.8
268.10367	6.9
268.12787	0.5
268.16400	0.7
268.19968	0.2
269.16040	0.3
286.10864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1907
Annotation	Metoprolol
Peak:m/z	Relative Intensity
52.41203	0.3
53.03952	0.4
55.01871	0.3
55.05508	2.0
55.77620	0.3
56.05037	3.3
57.03431	0.3
60.04528	1.9
62.06090	1.3
65.03935	0.7
67.05502	8.2
68.05032	1.6
69.07063	1.9
70.06584	1.5
71.04987	0.3
72.04520	0.6
73.06542	0.3
74.06072	4.8
77.03939	0.3
79.05489	7.4
80.05013	5.1
81.03385	0.3
81.05794	2.2
81.07059	7.5
82.06569	3.6
83.04958	0.6
83.08614	1.0
85.02840	0.2
85.06532	0.8
91.05479	3.8
93.05789	2.0
93.07041	4.1
94.06560	5.9
95.04942	0.8
95.07339	1.0
95.08595	3.3
96.04500	0.5
96.08134	2.4
97.06534	0.5
98.06054	0.8
98.09705	0.4
100.07630	1.3
105.07037	1.6
106.06521	1.3
107.07321	0.6
107.08522	1.4
108.08112	11.0
109.06527	0.5
109.10151	0.7
110.06034	0.5
110.09695	0.3
112.07603	0.6
117.07008	0.5
119.08584	1.2
120.08115	1.5
121.08827	0.4
121.10141	1.0
122.09660	1.2
124.07574	0.6
125.08380	2.2
126.09148	12.0
126.10074	0.7
131.08524	0.5
133.10130	0.3
134.09662	0.8
135.11690	0.5
136.06139	0.3
137.40880	0.3
138.09126	0.7
139.09889	1.4
140.10704	1.0
143.08574	0.4
145.10124	0.7
147.11688	1.0
149.13220	0.4
161.13206	0.3
171.11673	0.3
173.13251	0.4
186.07587	0.5
204.13779	0.4
206.15315	0.4
218.15366	0.5
220.16895	1.4
222.18663	0.3
223.15562	0.6
224.16412	0.3
232.16820	1.7
236.16405	0.6
238.18007	1.0
250.18024	4.2
268.19061	100.0
269.19403	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.05263	0.5
55.05512	5.6
55.15837	0.3
55.61021	0.3
56.05843	0.4
57.07061	0.4
58.06601	8.5
62.95362	0.3
65.03944	0.7
67.05504	13.0
68.05832	0.3
68.14194	0.3
69.07069	3.6
70.06597	0.4
71.04979	0.5
72.08127	0.3
79.05493	5.3
79.47097	0.3
81.07055	11.7
82.07379	0.4
83.08632	1.8
84.08144	0.4
85.06514	0.6
88.48351	0.3
91.05478	1.1
93.07047	5.0
95.04945	0.4
95.08027	0.6
95.08603	8.9
97.10152	1.0
98.09707	1.7
105.07021	0.3
107.08595	3.4
109.10159	3.7
110.10455	0.3
119.08550	0.5
121.10161	3.0
123.11732	0.9
135.11705	1.5
136.06165	1.1
149.13251	1.0
157.90546	0.3
163.14818	0.4
166.15973	0.3
177.16356	0.4
194.19060	0.8
222.14903	0.3
229.28035	0.3
243.09097	0.4
250.25307	8.3
251.12607	0.6
253.09099	0.3
268.26337	100.0
269.13574	1.6
269.22556	0.5
269.26688	4.4
284.33087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88232	0.2
55.05257	0.5
55.05509	6.3
56.05027	0.4
57.07072	2.5
58.06599	6.6
65.03946	0.4
67.05500	15.3
69.07070	4.1
69.22548	1.2
69.22955	0.6
70.06586	0.3
71.08646	0.3
72.08147	0.5
79.05490	5.9
80.05853	0.3
81.07054	13.7
82.06593	0.8
83.08611	1.3
83.76180	0.3
84.08132	1.0
85.06546	0.8
91.05473	1.1
93.07043	6.7
95.04996	0.4
95.08606	7.8
96.08122	0.4
97.06544	0.3
97.10161	0.8
98.09675	2.4
98.23526	0.4
98.97598	0.3
107.08588	5.3
109.06507	0.4
109.10163	2.6
119.03700	0.3
119.08579	0.4
121.10149	5.2
121.10998	0.5
122.06075	0.3
123.11705	0.8
124.11222	1.4
128.96573	0.3
135.11674	2.6
136.06201	0.7
137.13254	0.3
138.12761	0.5
140.14389	0.4
149.13264	1.9
152.14294	0.6
159.11600	0.4
163.14838	1.2
177.16402	0.6
180.17426	0.3
195.13724	0.3
225.09151	0.3
250.14478	2.9
250.25282	100.0
251.25648	3.6
268.15286	0.5
268.21512	0.7
268.26334	18.2
269.17371	0.7
269.22794	0.5
269.26691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62962	2.1
57.03420	2.2
58.02888	2.2
66.75674	2.5
69.53017	3.8
69.53400	5.4
70.06586	3.5
71.04981	3.9
85.02926	2.9
86.09688	4.4
89.06029	5.2
93.07004	2.3
94.93019	17.9
104.10753	9.9
107.04941	2.7
109.06486	2.4
110.07165	19.3
112.89586	17.0
120.90202	2.0
121.04797	2.3
134.96083	15.9
136.06137	5.1
136.07600	4.7
136.94017	4.9
138.05476	5.5
150.95625	3.2
156.07664	22.2
162.95627	4.3
164.93518	26.9
176.93568	5.7
178.95055	11.8
186.70142	2.4
188.93547	5.0
194.94577	6.2
208.54630	2.3
225.00203	2.6
232.15413	2.7
232.90182	3.6
250.93607	6.9
251.15163	3.3
257.13589	2.4
264.03046	6.7
268.16455	9.9
268.91708	2.7
268.94623	76.9
268.98236	100.0
269.02548	5.3
269.10840	5.5
269.16061	7.4
270.14261	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.4
70.95526	1.7
94.92992	6.1
97.27097	1.2
104.10727	4.1
105.11066	1.3
105.51812	1.3
110.07156	2.8
111.54182	1.3
112.89571	8.6
133.29825	1.4
134.96115	5.4
136.94029	3.6
138.05496	4.9
150.95537	1.6
156.07697	2.2
162.95610	3.5
164.93513	6.7
176.93539	4.6
178.95174	2.3
178.97148	1.4
208.96144	1.7
226.33789	1.4
232.90147	2.4
234.18484	1.5
250.93590	2.1
250.97258	1.9
268.16467	10.6
268.94690	16.4
268.98248	100.0
269.11032	2.2
269.16489	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83744	1.0
70.60154	1.4
94.21460	1.2
94.93017	1.6
98.22807	1.2
104.10736	3.7
106.11234	1.3
112.89606	11.5
120.98914	1.3
134.60843	1.0
136.94003	4.2
162.76295	1.1
162.95584	3.3
174.60245	1.1
176.93562	2.6
222.97675	2.1
241.92448	1.1
268.16486	18.3
268.98233	100.0
269.16751	2.4
269.98596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0811
Annotation	5-hydroxy-2'-methoxyflavone
Peak:m/z	Relative Intensity
58.67984	0.1
69.43475	0.2
69.43869	0.1
72.77782	0.1
80.02566	0.1
89.03967	0.2
98.23129	0.3
104.99274	0.2
122.72075	0.1
152.06206	1.5
157.02856	0.2
165.06998	1.2
166.07776	0.4
167.08545	0.8
169.06561	0.1
176.06233	0.2
177.06984	0.5
178.07771	0.2
180.05763	0.2
181.06416	0.1
185.06065	0.1
193.06630	0.1
194.07254	1.7
195.08047	6.0
197.05919	0.2
208.05174	0.1
209.05966	0.2
222.06757	2.7
223.07538	16.2
224.07822	0.5
250.06229	0.3
251.07025	100.0
252.07358	3.1
254.05670	0.1
269.08084	21.7
270.08374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1127
Annotation	Musk ambrette
Peak:m/z	Relative Intensity
54.55586	0.5
55.05494	0.6
57.03424	0.7
67.05500	1.6
69.07050	0.6
69.81260	0.9
69.81641	0.8
79.05470	1.1
81.07027	2.1
83.08665	0.5
90.25362	0.4
91.05489	0.8
93.07027	1.7
95.08607	1.3
104.99249	0.8
107.08595	1.2
109.10159	0.6
121.10136	0.5
149.13240	1.0
179.47597	0.4
187.10556	0.4
195.13889	0.6
250.06232	0.5
251.20058	1.0
269.11227	100.0
270.11752	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74964	3.7
55.05504	8.9
56.96562	12.1
64.82188	4.8
67.05506	17.5
69.03419	4.8
69.07054	6.5
73.12001	4.0
75.90071	4.1
79.05505	13.6
81.07060	20.3
83.04992	4.5
83.08621	4.0
91.05486	11.5
93.07050	7.5
95.04974	5.3
95.08610	16.5
105.07046	12.6
107.04955	5.3
107.08580	8.5
109.10156	7.4
110.07176	6.6
111.58028	4.4
121.10181	6.2
123.08042	4.5
123.11688	6.7
123.18533	3.8
131.08534	5.0
145.10130	8.2
149.13283	8.6
154.39253	4.7
171.11681	4.8
173.13312	5.8
199.68295	3.9
251.09659	6.1
251.12541	8.3
268.19006	12.4
269.10843	61.5
269.13623	100.0
269.19305	26.9
269.22214	7.5
287.11612	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.03702	1.1
50.22144	1.3
53.03933	3.9
54.31399	1.2
55.01867	3.4
55.05260	1.3
55.05508	22.6
57.03177	1.7
57.03439	23.2
57.07066	2.5
65.03934	3.0
67.05503	76.5
68.07977	1.3
69.03421	2.4
69.07068	23.4
71.04974	5.5
79.05493	43.6
81.03416	2.8
81.07055	100.0
83.04972	7.4
83.08612	18.8
85.06552	6.2
91.05481	30.0
93.07043	69.2
94.39551	1.2
95.04964	9.9
95.08601	26.8
95.45140	1.1
97.06534	17.6
97.10162	1.7
99.08090	8.4
105.04527	2.3
105.07024	13.5
107.04942	1.8
107.08589	29.6
109.06500	4.0
109.10148	4.2
111.08100	8.9
115.05431	1.7
117.07024	13.4
119.08556	5.1
119.87501	1.4
121.06506	3.2
121.10138	13.0
123.08080	1.7
123.11707	5.6
125.09620	2.3
131.08571	15.1
133.10126	19.7
135.08101	2.0
135.11703	15.5
140.78874	1.1
147.11693	1.5
149.13251	44.3
151.11166	3.5
153.09033	1.3
159.11694	34.4
161.13219	4.7
162.18657	1.2
167.14244	1.9
177.11287	2.2
177.12749	27.6
179.14270	6.0
195.13795	19.2
213.14897	2.4
233.11693	1.3
243.10687	3.9
251.12440	2.7
251.16574	1.7
269.13684	11.2
269.17444	92.1
270.17725	2.3
279.69818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	2.4
55.05508	17.9
57.03180	1.3
57.03439	21.3
57.07047	1.9
65.03919	2.5
67.05503	70.4
67.16573	1.0
68.05807	1.1
69.03425	1.2
69.06720	1.3
69.07069	21.2
71.04988	5.5
73.02895	1.2
77.03923	1.2
79.05047	2.0
79.05493	41.4
81.03427	1.8
81.07056	100.0
83.04979	5.7
83.08620	16.1
85.06544	7.5
86.29370	1.0
91.04942	1.9
91.05479	27.5
92.90037	1.0
93.07042	69.4
95.04970	9.3
95.08607	25.9
96.34907	1.0
96.51203	1.0
97.06526	16.3
97.10155	2.7
98.22649	1.7
99.08070	4.2
105.07034	14.1
107.04956	1.7
107.08591	29.2
109.06513	4.1
109.10132	5.3
111.08088	8.3
113.06012	2.1
117.07005	11.2
119.08564	3.7
121.06482	1.2
121.10153	13.2
123.11691	4.4
125.09643	1.4
131.08566	14.2
133.06654	1.0
133.10124	17.3
135.08006	3.5
135.11697	12.7
139.07481	1.5
145.10019	1.6
147.11674	1.4
149.09605	2.0
149.13254	34.3
151.11176	2.5
159.11688	32.5
161.13251	6.4
163.11102	1.1
167.14305	1.2
177.12752	26.5
179.14328	5.3
192.95763	1.0
195.13799	13.2
213.14830	1.4
252.15869	2.4
269.13629	8.1
269.17456	77.4
270.14548	1.0
270.17386	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	ISOTRICHOTRIOL
Peak:m/z	Relative Intensity
53.03930	5.1
53.46143	3.4
55.01866	7.7
55.05510	85.6
57.03432	10.2
57.07067	10.1
57.11308	3.6
67.05502	83.5
67.94376	3.5
69.03408	11.0
69.07067	38.8
70.09025	10.4
71.04988	8.9
75.09493	4.3
79.05486	54.0
80.87524	4.9
81.03402	4.3
81.07052	100.0
81.07419	4.0
83.04980	34.6
83.08617	45.1
85.06547	8.2
91.05477	40.4
93.07040	71.3
95.04960	14.3
95.08593	44.1
97.06531	19.6
97.10162	72.2
98.22626	3.5
101.06741	3.4
103.50829	3.4
104.99303	11.8
105.07029	32.9
107.04946	8.1
107.08595	46.3
109.06466	5.8
109.10144	21.3
111.08077	12.0
111.11751	4.1
117.07042	18.5
118.43687	3.9
119.08607	16.3
121.06513	6.1
121.10132	30.4
123.08062	7.7
123.11722	6.1
125.05995	4.3
125.09628	51.9
129.07008	6.1
131.08559	28.1
133.06544	4.0
133.10118	8.5
135.08026	7.9
135.11700	10.2
137.09509	4.1
139.11174	17.5
139.96295	3.5
141.06978	5.1
143.08455	3.9
145.10143	9.9
147.11644	10.9
149.05496	3.3
149.09723	4.3
149.13277	13.4
153.09099	9.9
156.13892	4.0
157.10167	5.7
159.11700	11.9
161.13257	8.1
169.32620	3.8
171.10197	9.3
171.11697	7.1
173.13264	15.9
177.12720	4.5
185.94438	3.9
187.14854	12.7
189.11201	71.5
189.12781	6.9
191.14288	7.0
195.13779	8.0
197.13278	7.4
199.14809	4.7
203.12820	13.7
205.15967	9.2
207.13820	13.7
209.15370	10.4
213.08002	5.4
215.14369	10.9
223.16943	15.7
225.14827	11.5
233.15366	33.7
251.16489	10.8
269.08130	6.5
269.10788	8.3
269.17422	71.3
269.22296	23.0
287.11624	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
55.01876	3.1
55.05518	20.4
56.29567	2.1
57.03441	38.4
57.07090	3.0
58.93503	2.5
67.05508	85.8
69.07070	29.2
71.04992	7.4
74.30948	2.3
77.03936	2.2
79.05502	50.8
81.07061	100.0
82.07400	2.5
83.04982	11.0
83.08627	18.0
85.06551	6.1
87.26787	2.3
91.05479	38.1
91.85792	2.8
93.07053	75.1
95.04967	9.9
95.08614	31.3
97.06552	16.2
98.23068	15.7
98.97531	2.4
99.08086	4.5
104.99297	22.9
105.07026	14.1
107.08598	38.1
109.06507	2.9
109.10194	5.0
111.08069	7.7
117.07039	12.6
119.08604	4.8
121.10143	30.8
123.11732	4.0
131.08574	14.4
133.10153	19.3
135.11707	14.9
147.11664	5.7
149.09645	15.4
149.13257	41.5
150.13684	3.3
159.11705	26.9
161.13307	6.3
165.06995	2.9
166.44826	2.6
171.11644	3.6
177.09105	8.7
177.12770	18.8
181.24904	2.3
186.99553	3.2
195.07996	5.3
195.13785	16.1
209.11697	5.8
223.07481	11.0
226.13483	2.5
251.07054	78.8
252.07385	4.2
269.08054	17.4
269.10873	4.6
269.17383	81.5
269.22620	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.50591	0.8
51.02371	1.3
53.03941	1.2
55.01859	3.5
55.05512	22.2
57.03435	29.5
57.07063	4.5
65.03927	2.1
66.46404	0.9
67.05502	80.6
69.06716	1.6
69.07066	26.7
69.45352	3.8
71.01337	1.0
71.04989	6.8
77.03905	1.4
79.05490	46.1
81.03406	1.4
81.07053	100.0
83.04976	11.6
83.08617	20.4
85.06554	5.1
91.05475	26.2
93.07041	70.6
95.04964	8.4
95.08602	24.0
97.06530	17.4
97.10150	3.1
99.08081	4.4
103.03898	1.2
104.99263	8.7
105.04501	1.4
105.07030	11.5
107.04964	1.1
107.08589	35.3
109.01379	1.1
109.06500	3.5
109.10144	4.8
111.08086	8.4
113.05965	1.4
113.09671	1.6
117.07012	13.2
119.08553	4.2
121.06488	1.6
121.10147	19.4
123.11691	5.0
127.07526	1.6
131.08578	10.5
133.10133	13.8
133.11052	1.8
135.08029	2.8
135.11690	12.9
139.11177	1.8
147.11732	1.4
149.13248	42.9
151.11148	2.0
157.10162	1.6
159.11694	32.5
161.13229	3.1
167.14275	1.6
177.12729	14.9
179.14320	4.6
186.99570	1.3
195.13797	19.0
213.14865	1.6
269.17453	85.2
270.17615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
55.01866	2.9
55.05256	1.5
55.05513	21.2
57.03436	29.4
57.07068	3.1
59.05023	1.1
59.87514	1.1
60.53745	1.2
65.03946	1.5
67.05504	74.7
69.07065	27.9
69.92967	1.2
71.04977	6.0
79.05494	41.8
81.03410	2.5
81.07057	100.0
83.04983	10.8
83.08625	20.3
85.06535	5.4
91.05478	25.2
93.07042	66.8
95.04972	8.2
95.08604	28.4
97.06537	18.9
97.10162	2.6
99.04439	1.8
99.08096	6.7
101.32154	1.3
104.99258	10.5
105.04433	1.2
105.07023	12.3
107.08594	33.1
108.63178	1.1
109.06541	3.9
109.10140	4.2
111.08073	6.5
111.11714	1.2
113.09627	1.3
115.05410	1.2
117.07025	10.9
119.08566	5.2
121.06470	1.8
121.10149	18.0
123.11694	3.3
125.09570	1.2
129.07030	1.3
131.08559	11.8
133.10124	14.5
135.08054	3.5
135.11702	13.3
139.11176	2.2
145.10101	2.6
147.11685	2.8
149.09525	1.3
149.13260	41.9
151.11197	2.8
153.09055	1.2
157.10069	1.5
159.11697	27.1
161.13274	4.1
167.14384	1.5
171.11732	1.2
177.12741	13.6
179.14313	2.3
182.93384	1.1
185.13379	1.6
186.99554	2.0
187.14798	1.5
187.97714	1.1
195.13803	16.5
199.14713	1.7
210.08516	1.3
213.16489	1.6
241.19458	1.4
269.17462	81.4
269.22217	12.0
270.17798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.56488	0.7
55.05507	3.7
57.07063	1.4
58.47231	0.8
61.87222	0.7
65.03934	0.8
65.05608	0.8
65.21777	0.8
67.05501	7.4
69.07062	6.4
70.01320	1.1
70.01674	1.7
79.05487	5.0
81.07054	21.0
83.08616	2.7
91.05481	4.2
93.07043	12.4
94.71522	0.7
95.08599	15.5
97.10170	1.3
98.22709	0.8
104.99259	6.4
105.06341	1.3
105.07019	15.3
107.07921	1.3
107.08584	15.4
108.16093	0.7
109.10152	9.3
117.07012	4.1
119.08569	16.3
121.10134	9.6
123.11716	3.4
129.06998	2.7
131.08571	9.3
133.09186	1.0
133.10130	13.0
135.11697	4.8
137.13232	1.0
142.07733	1.9
143.08566	7.1
145.10115	16.1
147.11662	10.5
149.13232	3.1
156.09340	1.1
157.10118	12.9
158.10841	1.3
159.11690	15.8
161.13254	10.0
163.14832	3.9
171.11688	10.8
173.13255	11.8
175.14813	6.7
183.11630	0.9
185.13228	10.5
186.99565	1.3
187.14780	6.1
189.16431	1.5
198.13982	0.8
199.14807	11.4
200.15442	1.4
201.16386	3.2
213.16364	23.0
214.17009	1.4
218.91843	0.7
227.17912	7.6
241.19527	3.1
269.22626	100.0
270.22903	3.9
279.04944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.1
61.02905	1.8
65.02002	1.0
69.03427	4.8
69.07062	1.2
70.06587	1.3
70.12744	2.4
71.04979	1.1
72.08148	3.9
73.02910	1.3
73.06547	100.0
74.06883	1.1
80.05018	1.6
81.03388	2.1
84.08111	1.2
85.02893	14.4
86.09723	0.9
86.57956	0.9
87.04434	1.3
91.07593	8.0
95.06062	1.7
97.02895	3.9
97.06535	1.4
98.97562	2.2
105.17850	1.0
106.06533	1.5
107.06886	2.1
109.02883	1.2
110.07162	7.6
116.98596	1.9
122.06022	2.0
127.03905	5.0
131.16029	0.9
138.05478	1.4
143.11766	1.0
145.04961	4.3
150.09148	2.3
156.07669	1.2
163.05925	1.3
179.11720	1.9
209.12776	1.0
224.13904	3.9
227.07709	1.0
234.09531	1.0
238.19109	1.7
242.10246	3.2
252.08527	1.3
270.09726	12.8
270.14313	10.2
270.21771	1.7
270.27814	1.5
274.01257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.78578	0.1
55.05503	0.2
55.14465	0.1
58.06587	0.1
65.03923	0.1
67.01865	1.5
67.05494	0.2
68.99790	1.0
69.07070	0.2
81.07064	0.3
91.05496	1.6
93.07031	0.1
95.08612	0.2
104.24261	0.1
105.07047	0.1
107.08582	0.1
109.10094	0.2
111.00814	0.3
117.07016	0.1
119.04950	5.7
121.02894	1.4
127.03899	0.1
129.01848	0.3
140.67688	0.1
141.06993	0.3
145.02846	1.2
153.01834	10.7
154.02158	0.2
157.39287	0.1
159.08093	0.5
163.03932	0.9
169.06400	0.2
171.02859	0.9
187.03955	0.3
191.91629	0.1
197.05960	0.2
202.06343	0.2
203.07124	0.2
211.04019	0.2
211.11217	0.2
225.05435	0.6
229.05087	0.5
232.91316	0.1
243.06606	1.0
247.06102	0.2
253.04979	0.3
270.27948	0.5
271.06012	100.0
271.28040	0.3
272.06372	3.2
272.08850	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.03952	1.3
55.05507	0.9
56.05014	1.0
57.07077	1.3
58.06594	1.4
65.16435	0.7
67.05490	1.9
69.07056	1.1
69.49535	1.5
69.49931	3.0
79.05481	3.3
81.05799	1.4
81.07042	2.2
91.05474	2.3
93.05777	1.0
93.07045	1.1
94.06561	1.8
96.08131	3.5
100.07583	1.7
100.35938	0.7
101.94057	0.7
103.70401	0.8
104.07099	1.2
104.78111	0.7
105.07034	1.8
106.06540	2.8
108.08115	14.4
109.10181	1.0
115.05402	1.0
117.06992	1.0
119.08553	1.5
122.09664	1.4
128.06244	0.9
129.06979	1.0
134.06021	2.2
136.07530	1.4
142.07770	1.2
144.08070	1.2
145.06583	0.8
148.07581	1.2
154.06519	1.0
155.08559	1.2
157.10139	2.7
159.08023	7.8
165.06844	0.9
166.07809	1.4
168.08080	4.6
168.09322	1.1
168.91743	0.8
169.08838	5.3
170.09692	1.5
171.07997	0.8
171.09294	1.0
172.07559	1.7
173.09575	0.9
174.09065	2.5
181.10115	3.1
182.09566	1.4
183.08058	1.3
183.10402	6.2
183.11670	0.8
184.07533	1.0
186.09187	1.3
186.11517	2.6
196.07613	5.6
196.09744	0.8
197.08359	13.1
198.09198	1.7
198.12775	8.7
199.08640	8.8
199.12376	1.3
200.13036	1.2
207.89519	0.8
208.11212	1.4
210.09169	2.4
211.09903	20.7
213.10207	14.6
214.10953	5.7
215.15448	5.7
225.11276	1.1
225.13773	1.1
226.12259	42.2
227.08316	1.3
227.11757	18.9
228.12546	29.9
239.11816	1.6
241.09680	1.4
242.10446	2.0
243.14922	27.3
253.13434	4.8
253.15742	1.3
254.11745	3.3
254.24702	2.2
255.11298	11.6
256.12048	17.3
271.05994	2.9
271.14401	100.0
272.14780	2.5
272.25784	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.11132	0.4
59.21170	0.4
65.51034	0.3
69.94360	1.2
70.06585	1.6
72.08126	0.5
73.02890	0.4
74.17982	0.3
76.62873	0.3
77.03951	0.4
78.83854	0.4
79.05488	1.5
91.03953	0.4
91.05479	1.0
93.07010	0.7
95.04953	1.6
98.97588	2.0
105.04523	0.7
105.07007	0.7
107.04948	100.0
108.05295	1.5
110.06025	0.5
115.05430	5.1
116.98607	1.4
117.06998	1.1
119.04959	0.4
121.06491	1.2
123.04428	8.0
123.61398	0.3
131.04951	1.3
133.06514	1.1
134.99600	0.5
136.07590	0.6
137.05962	0.8
140.34500	0.4
143.04910	9.9
145.06479	7.3
147.04422	0.7
149.05957	1.2
155.06046	1.2
161.01115	0.5
161.05969	20.0
162.06401	0.5
164.07074	1.6
181.06445	0.8
181.10115	0.7
191.08559	1.3
194.07286	1.5
201.73183	0.3
209.09607	2.7
211.07399	0.6
213.12421	0.4
219.08095	0.7
226.06187	0.6
237.09044	3.5
240.07805	0.8
254.09317	0.7
254.17644	0.7
255.10149	29.3
256.10510	1.0
272.12802	52.7
273.13132	2.2
284.61987	0.4
290.94553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1281
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
54.72086	0.3
69.54056	0.9
69.54456	0.5
77.03933	0.4
79.05495	0.7
80.45215	0.4
91.05492	1.5
95.04958	1.3
98.23373	0.7
101.26853	0.3
103.05463	0.5
105.07000	0.5
107.04950	100.0
108.05289	1.8
115.05449	5.0
117.07014	1.0
119.04890	0.3
121.06512	1.7
123.04428	8.0
131.04907	0.7
133.06483	1.6
136.07510	0.5
137.05994	0.9
143.04926	9.4
145.06487	7.1
149.05991	1.2
155.06085	0.5
161.05969	19.4
164.07080	1.3
166.07780	0.5
181.10097	0.5
191.08453	1.6
194.07324	1.6
209.09653	3.4
219.08083	0.7
226.06216	0.6
237.09119	4.2
240.07849	1.3
255.10152	31.8
256.10577	0.9
272.12796	55.2
273.13156	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06932	0.6
53.98073	0.6
55.05511	1.3
56.05036	1.2
57.03443	1.4
57.80882	0.7
67.05501	2.9
68.05026	27.7
69.03441	0.6
69.07059	0.9
69.66751	1.3
70.06586	0.9
71.04980	0.9
79.05505	0.9
80.70184	0.6
81.07030	1.3
83.04972	1.9
83.08627	0.7
84.04502	68.2
85.02908	3.7
85.04832	1.0
86.06015	0.7
96.04485	9.1
98.06064	0.8
98.97596	1.4
102.05526	2.7
105.07018	0.8
109.10178	1.5
111.04478	1.3
111.87891	0.5
113.07128	10.9
114.05527	76.1
115.05838	0.7
116.98613	0.7
121.10153	0.9
127.11189	4.3
129.60028	0.6
130.05000	100.0
131.05302	0.7
137.02371	1.9
142.04991	55.0
143.05284	0.9
144.13840	1.4
145.10049	0.6
147.07672	0.8
159.07645	89.9
160.07957	1.3
170.07150	0.7
171.04414	0.8
181.06577	1.2
210.14879	2.2
217.04996	0.8
227.03477	0.8
227.17554	1.8
230.17570	1.3
245.04495	1.7
255.17209	1.4
256.15427	13.8
256.18555	0.7
256.19061	0.7
273.03903	16.3
273.13071	2.3
273.18109	28.9
274.04202	1.1
274.18298	0.9
281.40897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03948	1.1
55.01876	2.8
55.05504	11.6
57.03428	3.6
57.07064	3.2
59.18182	1.0
67.05213	1.1
67.05507	13.7
69.03427	1.4
69.07064	8.0
70.06592	2.0
70.58249	1.0
71.05006	1.9
77.62814	0.9
79.05500	14.2
80.87539	0.8
81.07062	15.4
83.04970	2.7
83.08643	4.5
83.09066	0.9
84.74014	0.9
85.05721	0.8
85.06519	1.2
88.07635	2.9
90.55515	0.9
91.04944	1.7
91.05479	26.0
93.07040	14.5
95.04974	4.6
95.08611	10.4
97.06525	2.6
98.97560	1.1
105.04516	1.3
105.06342	1.7
105.07029	24.1
106.08684	3.6
107.04946	3.9
107.08588	7.9
109.06512	5.0
109.10160	4.8
111.08064	1.9
115.05435	2.3
115.23112	0.9
116.06222	1.3
116.98637	2.0
117.07015	19.9
119.04939	1.5
119.08586	16.2
121.06502	3.4
121.10146	4.1
123.08074	4.1
128.06204	3.1
129.07002	10.2
130.07776	2.5
131.08569	22.8
133.06477	6.6
133.10123	11.3
135.08034	7.7
135.11714	2.9
137.09622	2.4
141.07001	2.2
142.07809	2.5
143.08560	12.6
144.09319	1.2
145.06465	3.3
145.10123	26.3
146.07224	1.2
147.08055	14.1
147.11699	4.0
149.09662	4.3
155.08536	3.8
157.06471	1.4
157.10112	12.1
159.08055	2.9
159.11691	12.4
161.09634	14.4
161.13254	1.3
163.11205	5.0
169.10147	2.1
171.11664	7.4
173.09637	4.1
173.13239	2.5
175.11150	5.5
177.12825	1.5
181.10062	1.7
183.11703	4.1
185.09509	1.0
185.13242	3.9
187.11113	2.7
189.12735	2.8
191.10716	1.5
195.11707	2.6
197.13330	1.0
199.11192	3.6
199.14830	2.8
201.12753	3.4
203.14194	1.3
209.13280	1.2
211.14827	2.0
213.12825	1.2
213.16385	3.0
217.15843	3.5
227.17946	4.1
237.16464	5.9
245.19043	7.6
250.13586	1.6
255.17438	14.2
256.17691	1.0
273.18466	100.0
273.26016	4.8
274.18814	4.2
274.23859	2.4
274.27353	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03955	0.6
55.01869	2.5
55.05508	26.5
57.03437	1.7
57.07058	0.9
59.04996	1.4
65.03943	0.7
67.05499	13.3
69.03418	1.2
69.07066	8.7
69.72200	1.1
71.04996	1.7
77.03925	0.9
79.05486	13.7
81.07053	16.9
83.04965	2.6
83.08617	9.9
85.06526	1.3
91.05474	28.6
91.22973	0.4
93.07037	12.2
95.04967	2.4
95.08600	9.5
97.06520	1.5
97.10171	6.6
98.23406	0.5
99.08099	0.6
101.06029	0.5
103.05474	1.6
105.04562	0.7
105.07023	27.6
107.04953	1.5
107.08588	7.1
109.06526	2.5
109.10154	1.6
111.08058	1.1
115.05457	3.6
116.06234	3.1
117.07010	25.4
119.04929	1.1
119.08572	12.0
121.06505	2.9
121.10139	1.5
123.08049	2.4
123.54604	0.5
125.09612	1.7
128.06213	7.1
129.07002	13.0
129.10812	0.4
130.07785	8.4
131.08562	64.1
132.08905	1.4
133.06505	3.2
133.10130	7.5
135.08061	1.8
135.11685	1.3
137.09657	0.6
141.06969	2.3
141.09122	1.0
142.07753	2.4
143.08551	53.1
144.09270	2.0
145.06474	1.3
145.10114	65.8
146.10455	1.1
147.08040	6.2
147.11646	2.4
149.09615	1.9
153.07111	0.6
155.06021	0.6
155.08525	2.6
156.09303	0.6
157.06467	0.6
157.10109	11.8
158.10808	1.5
159.08067	3.1
159.11678	12.1
159.12939	0.9
161.09608	6.7
163.11198	1.6
165.07027	0.6
166.07695	0.5
167.08597	1.2
169.10107	7.6
171.11682	8.2
173.09581	1.4
173.13284	2.7
175.11218	2.3
177.12723	1.0
180.09364	0.7
181.10088	3.4
182.10866	0.5
183.11711	2.7
185.09618	1.0
185.13190	2.7
187.11198	0.8
189.12756	0.7
195.11679	6.8
199.11150	1.3
199.14825	1.0
207.65421	0.5
209.13278	1.1
211.14778	1.5
213.12744	1.4
213.16357	0.8
221.32358	0.5
227.17896	3.5
231.13855	1.1
237.16365	12.2
238.16536	0.5
245.15292	0.6
245.18866	2.5
255.17413	15.9
256.17679	0.9
273.18460	100.0
274.18771	4.4
274.27313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	delta1,3-Hydroxybakuchiol
Peak:m/z	Relative Intensity
50.01615	0.2
52.03147	0.2
53.03937	0.7
55.01868	3.8
55.05252	0.3
55.05506	5.5
55.92720	0.2
57.03434	1.9
57.07068	0.5
62.06076	0.2
65.03935	5.8
67.05498	57.5
68.05829	0.6
68.99784	0.3
69.03419	1.2
69.07060	3.6
70.07229	0.2
70.07537	0.3
71.04971	0.4
77.03934	0.6
79.05486	11.9
81.03412	1.4
81.07049	9.4
83.04986	1.3
83.08607	0.9
85.06540	0.6
91.05471	13.2
93.07037	11.0
94.07334	0.2
95.01331	0.6
95.04959	100.0
95.08591	6.2
96.05272	1.0
97.06522	4.1
97.07117	0.3
97.10152	0.4
98.22814	0.3
103.05472	0.7
105.03394	0.2
105.04527	0.5
105.07018	10.5
107.04945	10.3
107.08582	4.4
109.02880	0.4
109.06510	3.7
109.10135	1.6
111.04436	0.3
111.08068	2.3
115.05464	1.1
116.06216	0.9
117.07011	4.2
119.04943	0.6
119.06097	0.2
119.08572	4.9
121.06488	3.5
121.10125	2.1
123.04443	0.5
123.08044	1.0
123.11724	0.2
125.09634	0.2
128.06200	1.3
129.06995	2.3
130.07774	0.6
131.04944	0.2
131.08551	7.3
132.05739	0.4
133.06473	2.7
133.10114	3.2
134.07152	0.2
135.08029	2.2
135.11673	3.6
137.05948	2.4
137.09586	0.5
141.06984	0.6
142.07806	0.5
143.08537	2.6
145.06473	1.1
145.10110	3.8
146.07263	0.3
147.08037	5.7
147.11647	1.3
149.09572	1.4
149.13245	1.4
155.08553	0.4
157.10117	1.2
157.84444	0.2
159.08003	0.9
159.11674	2.1
161.09624	1.5
161.13301	0.5
163.07506	1.1
163.11189	2.1
167.08362	0.2
169.10136	0.7
171.11662	1.1
173.09660	0.5
173.13252	0.3
173.27029	0.2
175.11217	0.7
177.12698	0.9
179.14340	0.2
181.10208	0.3
183.11702	0.2
185.09573	0.3
185.13237	0.9
187.11189	1.6
187.14825	0.2
195.11667	0.2
199.11098	0.2
199.14847	0.2
205.12210	1.1
217.15866	0.2
217.19312	0.2
227.17815	1.0
229.15755	0.2
231.17415	0.3
235.94327	0.2
237.16370	0.4
245.18970	1.5
255.17458	0.8
255.61296	0.2
272.29453	0.3
273.18472	18.5
273.29810	1.4
274.18808	0.4
274.27316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55869	0.9
55.05477	1.0
56.96564	7.7
60.05638	1.8
69.07059	1.9
70.06582	4.3
71.45682	0.9
72.08150	7.8
76.89804	0.9
82.99849	1.7
83.94466	1.0
84.08128	2.8
85.77388	0.8
86.09701	47.6
87.10029	1.7
92.05020	1.0
95.06066	1.8
96.04490	3.5
97.06521	3.2
98.97583	39.0
100.02431	1.4
101.00872	11.7
102.00963	1.5
109.55125	0.8
110.06031	2.1
113.02356	1.0
113.07109	1.5
114.11250	0.8
116.07053	1.6
116.98624	17.8
118.03519	3.0
119.01913	32.2
119.87263	1.0
120.01978	3.6
130.03548	1.3
131.01868	1.3
134.99658	4.9
137.02937	6.3
142.03471	1.1
143.01881	1.2
144.05038	1.6
145.03419	1.4
146.08096	1.2
149.02898	1.0
149.41518	1.0
154.03476	1.2
159.05067	1.0
160.06496	1.1
161.03004	1.1
168.08702	2.7
169.03423	1.2
171.14911	1.2
172.94373	1.5
175.11888	2.5
177.00925	4.2
186.09747	30.6
187.04533	1.7
187.09984	5.2
191.03928	1.0
194.53400	1.0
196.08160	1.1
197.06598	1.9
202.77722	0.9
203.02394	1.5
203.53958	2.5
204.10812	9.0
205.11005	1.1
206.99690	1.2
208.95729	0.9
212.54431	1.2
214.09239	46.1
214.95462	1.3
215.07558	2.4
215.09447	7.9
219.01994	1.8
224.08064	1.3
229.05704	1.3
232.10286	100.0
232.96321	3.5
233.06593	2.8
233.10500	19.9
234.10127	1.8
234.99773	1.6
242.07130	3.2
251.00864	1.2
251.07614	12.1
251.57709	5.1
255.11726	1.0
256.96472	3.7
260.08191	8.4
260.58246	3.7
261.03082	8.0
262.58286	0.9
269.08984	1.1
272.08292	2.0
274.09586	1.1
274.12097	1.2
274.18729	8.2
274.27408	1.2
274.97507	24.2
275.06790	1.0
290.09354	1.4
292.98511	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
55.67607	0.4
56.05037	0.9
57.03432	0.4
57.48577	0.3
63.00051	0.5
66.74183	0.3
67.05503	1.1
68.05031	32.8
68.37408	0.4
68.43522	0.3
69.05359	0.4
69.48022	1.5
70.06603	0.5
71.04981	0.4
74.06087	0.4
79.05517	0.5
81.07049	0.5
84.04505	44.9
84.08139	0.4
85.02905	1.5
85.04832	0.4
91.05473	0.6
93.07041	0.4
95.08600	0.4
96.04495	8.7
97.02940	0.5
98.06028	0.4
98.97609	0.7
102.05546	4.4
114.05531	81.6
115.05888	0.9
116.98646	0.6
130.05000	6.0
132.06584	2.3
142.04999	26.3
143.05386	0.4
160.06055	100.0
161.06400	1.6
210.14879	0.7
212.16446	1.2
228.15981	1.2
230.17543	3.6
256.15482	2.1
256.19083	2.3
257.11325	0.5
274.04419	0.9
274.16452	12.9
274.18976	1.0
274.27420	0.9
274.97495	0.6
275.16827	0.6
292.98669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22197	0.5
55.01871	1.0
55.05511	3.7
56.05034	8.1
58.06592	4.1
60.04521	0.8
62.06076	1.6
67.05503	6.8
69.03388	0.6
69.07072	3.2
70.06602	3.5
70.58635	1.1
71.04983	2.0
72.04512	8.0
72.08150	1.7
74.06078	5.0
79.05482	2.4
80.05019	1.4
81.07056	10.4
82.06592	3.0
83.08624	1.5
84.08133	5.8
85.06532	1.2
88.07623	1.2
91.05473	2.3
93.07040	1.9
95.08595	2.2
95.12372	0.6
96.08136	1.2
97.02884	0.6
98.06049	3.3
98.09670	1.5
98.97566	2.6
100.07610	1.2
105.07014	2.6
107.08572	2.6
109.06490	1.5
109.10157	4.6
110.09693	1.2
116.98627	1.0
119.97429	0.6
123.08013	0.9
123.11678	1.0
133.10104	2.3
134.98648	0.6
151.11116	1.1
158.70062	0.6
166.15912	2.0
168.13832	2.5
194.13731	0.9
194.15404	12.6
212.16446	40.3
213.16716	1.0
215.07150	0.7
230.17509	100.0
231.17757	2.5
256.19070	61.8
257.19431	1.8
274.04196	1.2
274.11072	0.7
274.20230	11.3
274.27368	1.2
274.97485	2.2
292.98465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62820	0.3
56.96572	2.4
60.08162	0.5
60.33684	0.3
68.14294	0.4
70.01545	0.9
70.06582	1.1
76.02194	0.4
76.51111	0.4
84.08131	1.4
86.09688	1.1
96.04486	1.8
97.06516	1.7
98.23443	0.8
98.97576	14.2
101.00858	0.5
106.06564	0.7
113.07127	1.0
114.05494	0.6
116.98618	8.2
128.03419	1.4
134.99678	3.0
144.06755	0.4
146.08101	1.7
152.03218	2.6
152.14314	0.4
158.04027	0.5
169.03546	0.4
187.04503	0.4
190.95332	0.5
216.01993	0.4
232.96339	0.8
250.97375	0.6
256.96487	2.0
257.09186	0.6
257.15405	0.4
261.22769	0.4
265.51535	0.4
274.97495	12.7
275.10999	100.0
275.97583	0.5
276.11380	2.5
284.04361	0.6
292.98489	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25366	0.3
56.96569	3.1
57.32946	0.3
58.99863	0.3
67.16782	0.3
69.03394	0.4
70.06571	1.0
70.95847	1.8
71.47353	0.3
72.08146	0.7
74.06039	0.4
80.04993	0.3
82.99862	0.3
83.04961	0.3
84.08127	3.2
85.02955	0.4
86.09687	1.0
89.12128	0.3
95.06081	0.6
95.29408	0.3
97.02881	0.4
98.97577	18.0
101.00869	3.3
103.02425	0.4
109.02824	0.3
113.02339	1.2
113.07087	0.5
116.98612	10.8
117.03970	0.6
119.01913	9.7
120.02013	0.6
125.07051	0.4
127.02395	1.2
129.10252	0.5
131.01897	0.4
133.03441	0.6
134.99643	4.1
137.02930	2.4
143.01903	0.8
145.03456	4.0
146.05969	0.6
146.08124	1.0
147.01253	0.5
153.00670	0.4
157.03452	0.6
159.02797	0.8
159.05048	2.4
161.02908	1.2
163.04526	0.9
169.03471	2.2
171.05087	0.4
172.94377	0.8
172.97742	0.4
175.04486	0.6
177.00905	1.9
177.06032	1.0
185.02965	1.4
185.06734	0.5
187.04492	4.3
189.02426	1.5
190.95088	1.7
190.98643	0.4
196.04335	0.3
197.02904	0.5
197.51129	0.4
203.02469	1.4
203.04079	1.0
204.04951	0.4
205.05550	0.8
207.03474	0.5
208.95988	1.5
213.02483	0.7
214.95174	0.4
215.04002	0.4
215.95708	0.5
219.01927	0.4
220.04547	1.8
221.01685	0.5
229.05617	1.7
231.03458	1.1
231.05975	0.4
232.96127	2.9
238.05725	0.9
247.06711	0.7
250.97131	1.6
251.00650	0.4
251.96169	0.4
252.96609	0.5
256.96350	2.7
257.04071	0.6
261.03116	1.4
274.97366	20.4
275.10989	100.0
275.97318	0.7
276.11392	2.2
292.98483	8.8
293.05783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
57.04551	2.3
67.05502	0.5
70.06599	0.3
71.46723	0.2
72.08154	9.5
73.04051	0.4
74.07188	0.6
76.01804	0.2
77.03911	0.4
81.07057	0.4
87.05643	0.3
89.10794	0.6
90.43157	0.3
91.05465	0.4
95.04933	0.5
97.06530	0.3
97.07642	0.6
98.06054	0.9
98.97556	0.5
103.05466	12.2
105.07036	0.6
114.09117	0.5
114.09458	0.4
114.10287	7.8
115.05446	0.3
115.08689	3.0
119.08631	0.3
128.11049	0.2
128.11835	8.3
129.10246	8.7
130.06502	0.6
131.04926	100.0
132.05264	1.6
144.08093	3.1
148.07584	1.0
201.12334	0.2
201.13863	15.1
202.12268	32.4
203.12602	1.0
215.06996	0.7
219.14938	5.9
244.14432	5.3
258.16028	7.2
275.18649	71.1
276.18915	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.51032	0.5
53.03939	0.8
55.01876	2.6
55.05257	0.9
55.05510	14.7
57.03436	5.6
57.07077	0.7
59.04997	0.9
65.03937	1.1
67.05502	21.1
69.03426	1.1
69.07069	7.2
71.04989	2.5
71.08591	0.8
71.49297	0.4
77.03912	1.0
79.05491	26.2
81.03415	0.6
81.07053	18.9
81.53540	0.4
83.04977	2.1
83.08631	3.9
85.06539	1.2
91.05479	30.5
93.07042	19.9
94.07339	0.5
95.04969	3.4
95.08600	9.5
97.06562	1.0
97.10163	2.7
98.26205	0.5
99.08094	0.5
103.05424	1.1
105.04530	0.7
105.07025	37.3
106.07322	0.6
107.04951	13.7
107.08589	17.9
109.06526	2.6
109.10154	8.9
111.08065	1.6
115.05401	1.0
117.07014	9.8
119.08581	27.7
120.08935	0.5
121.06519	2.0
121.10134	8.4
123.08055	1.8
123.11688	1.8
123.70396	0.4
125.09592	2.5
129.07011	2.4
131.08563	12.5
133.06499	0.7
133.10126	23.8
134.10480	0.4
135.08046	3.3
135.11661	3.4
137.09607	1.7
141.06978	0.8
143.08533	2.4
144.09235	0.5
145.10114	10.5
145.11224	0.8
146.10858	0.4
147.08054	0.8
147.11674	14.8
149.09613	24.1
149.13231	1.1
150.09972	0.7
151.11150	0.7
153.09079	1.5
155.08432	0.9
155.10622	0.7
157.10114	2.1
159.11697	8.4
161.09653	1.7
161.13268	6.0
163.11153	1.8
163.14824	0.6
167.10674	0.5
169.10144	1.8
169.12231	1.1
171.11674	1.5
172.57092	0.5
173.11745	1.5
173.13266	3.4
175.11147	0.7
175.14819	1.2
177.12766	1.3
179.10612	0.8
183.11705	1.6
185.13205	2.4
187.11320	1.1
187.13240	1.1
187.14821	1.1
191.14224	0.7
197.13290	2.0
201.16339	1.9
203.14287	4.3
211.14978	0.7
213.16519	0.9
215.14336	1.0
215.17975	1.0
219.17430	21.8
220.17700	0.7
229.19505	4.2
233.15248	1.0
239.17929	2.4
247.20551	1.3
257.18970	12.1
275.20053	100.0
276.20404	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03928	0.9
53.30972	0.5
55.01866	1.6
55.05256	0.8
55.05508	11.8
57.03437	7.2
57.07064	1.1
57.55383	0.5
62.95312	0.5
67.05162	0.9
67.05500	15.0
69.07064	9.1
69.80042	1.8
70.06593	1.5
71.04987	2.0
71.08652	0.6
77.03910	0.8
79.05042	0.9
79.05490	15.1
81.07053	14.9
83.04978	2.4
83.08607	5.1
85.06532	1.3
87.04428	0.5
88.07617	2.0
90.09362	0.5
91.05474	39.5
93.07037	14.8
95.04955	2.6
95.08025	0.8
95.08608	13.3
97.06529	2.0
97.10162	1.4
99.08062	1.0
102.21649	0.6
103.05457	1.4
105.07024	52.5
106.07372	0.8
106.08648	1.4
107.04942	2.2
107.08575	8.9
109.06512	4.3
109.10146	4.4
110.61469	0.6
111.08049	1.0
113.05924	0.9
117.07008	9.9
119.08572	35.6
120.08866	0.8
121.06491	1.7
121.10151	4.9
123.08075	1.5
123.11749	0.7
125.09657	0.9
129.06990	3.0
131.08554	13.5
133.10118	28.1
135.08032	2.0
135.11713	2.0
137.09590	1.2
137.34955	0.6
141.06993	1.2
143.08585	2.9
145.10115	11.8
147.08043	1.5
147.11679	21.8
149.09608	5.2
149.13264	0.8
151.11119	0.9
155.08569	1.6
157.10092	4.7
159.11687	10.5
161.09596	0.7
161.13239	6.0
163.11169	1.9
169.10074	2.2
171.11662	1.9
173.09599	0.7
173.13234	4.9
175.11186	1.3
175.14832	1.7
177.12761	1.2
183.11612	2.9
184.12291	0.6
185.13225	6.0
187.11156	1.0
189.06987	1.9
189.12733	0.9
191.08591	0.8
196.08525	0.5
197.13242	2.4
199.14833	0.7
201.12714	0.8
201.16321	1.1
203.14311	5.2
211.14804	1.0
215.14352	0.6
218.07274	1.3
219.07996	2.1
219.13849	1.1
219.17422	2.1
229.15775	0.7
229.19478	1.3
239.17999	4.4
247.07471	3.2
247.20758	1.4
248.08058	0.7
257.18982	9.8
274.27371	2.2
275.06989	13.8
275.20047	100.0
275.27731	14.0
276.07672	2.3
276.20425	3.8
299.61923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.46394	0.5
53.03949	0.9
55.01875	2.7
55.05513	10.2
57.03431	2.2
57.07061	1.5
65.03925	1.3
67.05505	21.3
68.49340	0.6
69.03416	1.8
69.07076	9.2
69.11682	1.9
69.12110	1.8
71.04984	2.8
71.08640	0.8
75.48723	0.4
77.03934	0.8
79.05495	20.2
81.03445	3.1
81.03835	0.5
81.07059	20.4
83.04972	2.7
83.08611	3.6
85.06532	2.0
91.05483	35.9
93.06442	0.9
93.07044	18.3
95.01873	0.6
95.04960	4.4
95.08608	11.8
97.06521	2.1
97.10154	1.6
97.58106	0.5
98.23437	1.3
99.08067	1.0
99.75927	0.6
103.05476	1.2
105.04510	0.9
105.07031	46.1
106.07356	1.0
107.04964	6.0
107.08592	13.1
109.06503	3.1
109.10153	6.0
111.08095	1.0
115.05476	0.9
117.07016	11.6
118.07802	0.5
119.08584	34.2
120.08948	0.9
121.06538	3.8
121.10155	7.1
123.03060	0.6
123.08062	2.5
123.11706	1.6
125.09548	0.9
125.13617	0.6
128.06230	0.7
129.07036	3.0
130.07765	0.6
131.08557	14.3
133.06471	0.8
133.10130	34.1
135.08052	2.9
135.11723	3.2
137.09637	2.6
141.06985	0.9
142.07826	0.7
143.08548	2.5
145.06502	0.6
145.10127	10.7
147.08052	1.8
147.11687	22.9
149.09631	7.9
149.13242	1.2
149.58292	0.5
151.11177	1.0
154.05563	0.5
155.08591	1.2
157.10074	2.9
159.08070	0.9
159.11710	10.2
161.09590	1.2
161.13274	7.0
163.11176	2.5
169.10127	1.3
171.11688	3.0
173.09627	0.8
173.13258	8.7
175.11124	1.0
175.14835	1.1
177.12727	1.7
180.66759	0.5
183.11702	2.5
183.59268	0.6
185.01483	0.6
185.13255	1.1
187.11157	1.3
187.14804	2.2
189.12749	0.8
197.13307	2.7
201.12750	1.3
205.12172	0.7
207.37775	0.6
213.16362	1.0
215.17941	1.3
219.13766	0.6
219.17435	0.9
229.19583	3.0
233.15297	1.2
239.17891	3.3
247.20537	3.7
257.19006	7.4
275.20065	100.0
276.20450	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02376	0.6
53.03936	1.2
55.01867	2.5
55.05260	0.7
55.05512	9.9
57.03428	1.1
57.07085	0.7
57.48409	0.5
65.03923	0.9
67.05502	16.8
69.07065	8.2
69.48968	2.5
71.04987	2.1
73.30113	0.5
77.03899	0.8
79.05496	19.7
81.07053	17.2
83.04973	2.3
83.08617	4.0
85.06526	0.8
91.05480	30.7
93.07042	17.0
95.04964	3.5
95.08604	11.1
95.56812	0.6
97.06525	2.5
97.10163	2.2
98.23406	0.8
103.05444	1.4
105.04556	0.7
105.07024	45.2
106.07352	1.0
107.04920	2.9
107.08587	13.4
107.09262	1.2
109.06532	3.1
109.10159	5.3
111.08055	1.1
115.05459	0.8
117.07007	9.5
119.08579	24.8
121.06492	2.7
121.10136	8.0
123.08038	2.7
123.11755	1.4
125.09645	1.5
129.06982	2.2
131.08562	12.9
132.09348	0.6
133.06505	1.1
133.10124	29.9
134.10509	0.9
135.08060	2.7
135.11703	3.7
137.09596	2.2
139.11229	0.6
141.06937	0.7
143.08560	2.5
145.10118	11.6
147.08022	1.5
147.11678	16.9
149.09621	5.6
149.13249	1.3
151.11205	2.9
155.08487	0.7
157.10114	2.5
159.11684	6.2
160.12402	0.7
161.09644	0.9
161.13260	5.4
163.11172	4.8
165.09184	1.1
165.12772	1.4
165.21722	0.5
169.10103	1.8
171.11700	2.1
173.13219	3.3
175.11226	1.7
175.14740	0.9
177.12726	1.6
183.11699	1.7
187.11226	1.4
187.14856	1.0
189.12717	1.0
191.14293	0.8
193.12274	0.6
197.13263	2.3
201.12799	0.9
204.64368	0.7
205.12244	0.7
208.72871	0.5
211.14809	1.0
215.17882	0.7
229.19571	2.8
233.19009	0.6
239.17978	4.4
247.20572	2.7
257.18997	9.6
267.91031	0.6
275.20053	100.0
276.20377	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03952	1.3
55.01867	2.5
55.05513	13.6
57.03434	4.9
57.07068	1.6
58.07412	0.6
65.03931	1.4
67.05506	20.3
69.03428	1.3
69.07071	9.8
69.50471	1.7
69.50879	1.1
69.55228	0.6
70.06593	2.3
70.19138	0.6
71.04987	1.6
71.29950	0.5
73.88552	0.5
75.29482	0.5
77.03928	1.1
79.05038	1.1
79.05498	20.7
81.07061	24.8
83.04987	2.3
83.08617	3.1
85.06544	1.7
88.07629	2.1
89.07925	0.7
91.05483	38.9
93.07047	18.5
93.07587	0.3
95.04436	0.6
95.04971	4.2
95.08021	0.9
95.08610	14.7
97.06525	2.0
97.10165	1.4
99.08047	0.7
102.09202	0.6
102.79169	0.5
103.05439	1.0
105.04530	0.8
105.07035	49.0
106.07378	1.0
106.08641	1.7
107.04948	4.2
107.08594	12.5
109.06546	4.9
109.10155	4.7
111.08058	0.8
115.05466	1.2
116.30503	0.5
117.07027	10.9
119.08586	33.4
121.06544	3.6
121.10141	6.7
123.08043	4.4
123.11694	1.2
125.09595	0.5
128.06241	0.9
129.07013	2.5
130.07800	1.2
131.08569	13.5
133.06487	0.7
133.10129	30.1
134.10509	0.6
135.08067	5.2
135.11652	3.5
137.09607	1.7
141.07031	0.9
143.08627	3.1
145.10121	11.5
147.08035	2.2
147.11690	15.6
149.09596	5.6
149.13269	1.1
151.11166	1.7
155.08525	1.0
157.10165	3.5
159.11707	8.2
160.12624	0.6
161.09619	1.8
161.13261	4.7
163.11249	3.2
169.10103	1.8
171.11685	1.9
173.13307	4.1
175.11249	1.4
175.14821	1.7
177.12758	1.2
183.11697	2.4
185.13226	3.7
187.11168	1.3
187.14867	0.8
189.07022	1.1
189.12802	0.7
191.08614	0.9
191.14323	0.8
193.12202	0.9
197.13249	2.5
199.14833	0.9
201.12730	1.0
201.16216	0.9
203.14291	2.8
211.14854	1.0
213.16360	1.2
218.07356	0.7
219.07997	0.9
219.17346	1.4
229.19548	1.4
239.17941	3.8
247.07487	1.5
247.20697	2.6
248.08232	0.7
257.19009	9.4
257.26596	1.1
258.59314	0.6
274.27420	2.5
275.07062	5.1
275.20068	100.0
275.27759	17.2
276.07727	1.2
276.20380	4.7
276.27597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03928	0.7
53.27699	0.4
55.05512	9.0
57.03446	0.7
65.03938	0.6
67.05504	9.5
69.07065	6.3
69.17071	2.5
70.06573	0.6
71.04972	1.3
79.05038	0.7
79.05488	11.0
81.07051	9.9
83.04963	0.8
83.08611	3.1
85.06532	0.9
87.04472	1.1
88.07605	0.7
91.05473	27.7
93.07040	9.6
95.04948	1.8
95.08607	9.2
97.06525	0.9
97.10134	0.9
98.97555	0.7
102.09151	0.5
103.05460	1.1
105.07022	42.5
106.07311	0.5
107.04956	1.0
107.08585	6.9
109.06513	2.1
109.10126	2.8
111.08055	1.2
113.05920	0.5
115.05443	0.7
116.98559	0.5
117.06197	0.4
117.07011	7.0
118.07803	0.5
119.08572	26.2
121.06496	1.1
121.10136	3.1
123.08076	1.3
125.09622	0.7
129.05473	0.7
129.06995	1.4
131.08554	9.0
133.10123	24.9
135.08032	1.3
135.11687	1.8
137.09583	1.0
141.06966	0.9
143.08548	1.2
144.09396	0.4
145.10110	7.9
146.10904	0.8
147.11676	19.4
148.12062	0.6
149.09604	2.2
149.13237	0.7
151.11113	0.6
155.08556	0.8
157.10100	1.8
159.11687	5.9
161.09607	1.0
161.13252	7.3
163.11165	2.5
169.10094	1.1
171.11646	1.4
173.13260	2.9
175.11171	0.7
175.14861	0.4
177.12764	0.5
183.11642	1.3
185.11552	0.5
185.13361	0.5
187.11176	0.7
187.14809	0.8
189.07005	0.7
189.12682	0.5
191.10698	0.5
196.35974	0.4
197.13269	1.4
201.12863	0.5
204.80075	0.4
211.14850	1.0
214.21582	0.8
215.10713	0.5
215.17935	0.9
229.19438	0.8
232.05197	0.5
233.15268	0.4
239.17946	2.9
247.07559	0.6
247.17126	0.4
257.19012	4.2
274.97360	0.6
275.06845	4.4
275.20044	100.0
276.07547	1.2
276.20447	3.3
276.25320	1.9
293.08136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03951	0.7
55.01865	1.4
55.05257	0.8
55.05512	11.3
57.03438	2.8
57.07067	0.9
65.03938	0.8
67.05159	0.8
67.05507	13.0
69.07066	7.7
70.26305	0.8
71.04993	2.1
77.03961	0.5
77.49899	0.5
79.05495	13.3
81.07063	14.7
83.04984	1.8
83.08624	4.5
85.06545	1.4
88.07592	0.6
91.05484	35.7
93.07053	12.1
95.04982	2.1
95.08610	11.3
97.06532	1.1
97.10163	1.6
98.22929	1.2
99.08092	0.6
103.05452	1.6
105.07033	55.4
106.07342	0.9
107.04958	1.3
107.08598	8.8
109.06506	1.8
109.10156	3.9
111.08061	0.8
113.05965	0.6
117.07018	10.0
117.07813	0.9
119.08588	31.9
121.06527	1.5
121.10152	4.6
123.08088	0.9
123.11684	0.8
125.09652	0.7
129.07033	2.3
131.08568	11.0
132.09290	0.5
133.10133	31.6
135.08083	1.4
135.11667	2.1
141.07008	1.0
143.08560	3.5
144.19647	0.5
145.10133	12.8
147.08127	0.6
147.11693	25.9
149.09596	3.3
151.11125	1.4
155.08586	1.1
157.06557	0.6
157.10144	2.7
159.11690	10.4
161.09616	1.2
161.13269	6.0
163.11223	2.0
167.10776	0.6
169.10158	1.8
171.08052	0.6
171.11705	2.5
172.08829	0.7
173.13293	3.5
174.10378	0.7
175.11166	0.9
179.10634	1.0
183.11722	2.6
183.13455	0.4
184.08936	1.1
185.13251	4.8
187.11133	0.6
187.14854	0.6
188.08360	1.4
189.09114	0.6
197.13261	2.5
200.08446	0.6
201.12764	0.8
201.16412	0.9
203.10724	1.4
203.14377	4.2
211.14810	1.1
213.16495	0.5
215.10773	3.7
215.14337	0.7
215.17932	0.7
219.13875	1.0
219.17365	1.0
229.15936	0.6
229.19531	1.0
233.11775	2.2
233.15375	0.5
239.17941	3.7
257.19034	9.1
275.12805	4.7
275.20071	100.0
276.20474	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1959
Annotation	MGK 264
Peak:m/z	Relative Intensity
54.17997	0.3
55.05504	1.6
57.03427	0.5
59.04999	3.1
67.05511	0.8
69.07050	0.7
70.07382	0.3
73.06552	0.3
75.51825	0.3
79.05505	0.7
80.05841	0.5
81.07050	0.8
82.07412	0.3
83.08569	0.4
91.05462	1.3
92.05787	0.6
93.07044	0.5
94.07391	0.6
95.04990	0.3
96.08919	0.4
97.06538	0.6
98.22611	0.6
105.07025	2.2
106.07377	1.4
107.08578	0.3
118.06535	12.0
118.07182	0.4
119.07301	0.6
119.08585	1.0
120.08125	0.6
120.08939	0.9
121.10097	0.3
131.08524	0.5
132.08073	4.5
132.08945	0.5
133.08844	2.5
133.09941	0.5
134.09625	1.0
134.10464	0.9
136.06216	0.4
146.09602	4.5
147.10429	0.7
147.11632	0.3
148.12007	0.7
162.58673	0.3
169.35350	0.2
176.14331	60.9
177.14659	1.4
205.06432	0.4
207.75688	0.3
209.11894	0.5
216.17458	0.5
218.11749	0.3
232.13539	0.4
232.66057	0.3
233.05974	0.3
233.14099	0.3
241.14458	0.3
249.09082	0.3
250.39314	0.3
258.19278	0.5
276.07767	2.2
276.19574	100.0
277.08551	0.6
277.17529	0.7
277.20047	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.3
57.03429	2.8
61.03334	2.2
69.03422	7.6
80.91747	2.4
85.02888	2.5
86.09721	3.4
97.02923	4.5
98.97591	100.0
101.00887	11.4
114.05502	3.8
115.03934	9.0
115.05888	3.0
116.98638	28.8
119.01937	12.0
131.01909	6.6
133.03485	4.9
134.99681	6.7
140.67108	2.7
143.01927	6.8
145.03525	2.8
147.81937	2.8
155.01898	2.7
161.02985	15.3
173.02977	2.8
176.04131	3.0
177.00908	3.1
187.04565	3.6
194.05208	2.5
197.02646	2.9
203.04012	2.6
210.45206	2.3
218.05164	4.1
219.01935	3.5
221.01712	3.3
225.28917	2.6
235.98697	2.9
236.06364	6.2
240.98773	5.3
245.01961	2.9
245.05139	5.1
258.99786	51.3
263.02933	19.5
276.97885	2.5
277.00861	59.2
277.03781	4.3
277.06934	31.1
295.02588	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86900	0.3
55.01873	0.4
55.05506	0.3
55.47678	0.3
56.05037	2.0
60.04118	0.3
67.73827	0.3
69.03452	0.7
69.07078	0.6
71.44445	0.4
71.44809	0.4
76.78020	0.3
79.05495	1.1
84.04508	44.2
85.04855	0.6
91.05511	0.9
93.07072	0.8
95.04966	0.5
97.06544	2.6
103.05469	3.4
107.04977	1.0
117.51679	0.3
120.08111	100.0
121.08425	1.7
123.44099	0.3
129.06964	0.3
130.06551	0.4
131.04944	2.1
137.05908	0.3
144.06607	0.6
147.04410	0.9
149.02365	0.8
149.06001	1.2
161.02347	0.7
163.03928	1.3
166.08647	36.2
167.08900	0.8
173.02364	1.2
186.09157	4.0
203.11842	0.6
206.07385	0.5
215.07065	3.0
220.34415	0.3
220.81340	0.3
225.51909	0.4
231.11296	23.9
232.11693	0.4
234.06721	1.2
249.09151	0.7
259.10672	1.3
260.12814	0.4
277.08597	2.9
277.11810	7.5
277.15192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.06487	1.0
55.01863	2.2
55.05516	16.9
57.07077	7.5
58.07407	4.0
67.05508	30.7
69.07066	15.3
69.32649	5.6
70.06599	3.3
71.05000	2.9
71.06928	3.9
71.08648	2.5
72.08980	1.5
76.28069	1.1
77.03953	2.1
79.05497	71.0
80.05811	0.9
81.07059	34.6
83.04980	2.9
83.08616	7.2
85.06563	2.8
88.07645	5.9
89.07982	4.4
90.08057	4.0
91.05482	24.2
93.07048	96.6
94.07361	2.0
95.04968	8.6
95.08611	27.0
95.09218	2.0
95.72260	1.0
97.06528	2.6
97.10185	3.9
98.23070	4.9
98.97596	1.0
99.08090	1.1
101.06042	1.5
102.09158	1.3
103.09531	1.4
105.04518	2.1
105.07037	16.3
106.07441	1.0
107.08584	49.3
108.09093	3.2
109.06535	2.2
109.09474	1.0
109.10165	14.9
117.07043	4.2
119.08581	10.9
121.06517	1.6
121.10149	46.5
123.08055	1.4
123.11721	2.9
125.09666	2.2
128.11652	1.0
129.07050	2.9
131.08565	4.3
133.10138	12.4
134.10481	1.1
135.08095	2.4
135.11696	49.6
136.12056	1.5
137.05946	1.2
137.09630	1.3
137.13260	1.1
139.03941	1.8
139.11208	1.4
143.08591	2.4
144.25597	1.0
145.10202	3.8
145.63947	1.3
147.07991	1.1
147.11703	8.7
149.02382	2.4
149.09662	2.6
149.13254	24.7
151.11136	1.2
157.10149	1.8
159.11711	3.5
161.09627	2.3
161.13254	5.9
163.11203	1.6
163.14832	6.7
170.57808	0.9
171.11716	2.6
173.13251	3.1
175.11156	2.2
175.14839	1.8
181.12274	2.4
185.13260	2.8
189.12746	1.3
195.13869	2.1
199.14859	2.4
207.13826	1.3
213.16454	2.5
217.19658	1.1
221.15445	3.1
231.17368	1.9
235.16949	3.8
241.19496	2.5
257.26794	1.7
259.20569	6.1
259.27325	5.3
277.05002	2.1
277.08395	1.3
277.13895	3.0
277.21652	91.8
277.28278	100.0
278.21973	3.8
285.04874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
51.02371	1.6
53.03701	1.0
53.03946	14.0
55.01865	7.5
55.05259	1.6
55.05509	25.8
57.03423	1.9
57.07069	6.3
59.04984	1.4
63.47021	0.7
65.03925	2.0
67.05502	66.3
69.03426	2.3
69.07065	38.4
69.56076	2.6
70.07362	1.1
71.04978	3.4
71.08626	9.1
73.06557	0.8
77.03919	2.2
79.05489	56.4
81.03413	58.8
81.07052	63.8
82.31112	0.9
83.04520	1.4
83.04974	13.9
83.08618	12.2
85.06532	3.8
85.10167	2.3
91.05474	33.6
93.07042	65.9
94.07362	0.9
95.04964	44.1
95.08598	31.5
96.08926	1.0
97.06555	5.1
97.10145	5.7
98.23080	3.0
99.08107	7.1
104.99258	1.4
105.04505	3.3
105.07024	28.5
107.04955	1.6
107.08592	36.8
107.09332	1.8
108.08970	0.8
109.06509	8.4
109.10150	16.0
111.08067	3.6
113.09643	2.6
117.07008	4.8
119.08566	17.4
119.09401	0.9
121.06488	2.9
121.10148	19.1
123.08054	3.4
123.11687	5.5
125.09638	7.7
129.07005	4.7
131.08554	6.4
133.10106	21.7
135.08058	4.1
135.11688	18.2
137.09634	2.1
137.13243	2.2
143.08556	4.6
145.10068	4.7
147.08012	2.5
147.11668	15.7
149.02342	1.9
149.09598	3.1
149.13239	13.0
150.13580	0.8
151.11172	40.5
152.11465	1.0
153.09102	3.0
153.12706	1.3
157.10121	4.3
159.11691	2.9
161.09613	2.5
161.13243	13.5
163.11227	2.4
163.14786	6.4
165.09108	1.6
165.12758	13.7
171.10324	1.6
171.11716	5.8
173.11710	1.5
173.13213	2.0
175.11133	2.7
175.14806	5.9
177.12740	3.3
179.10681	1.5
179.14307	7.8
181.12236	1.0
185.13315	3.2
189.12686	3.4
189.16360	1.1
193.12219	2.9
199.14760	2.3
203.14265	1.3
207.13846	5.9
217.19513	2.3
221.15393	4.8
231.17531	1.6
231.21063	8.5
232.21420	0.9
233.09219	0.9
235.16933	1.6
241.19464	5.0
249.22096	4.2
259.20526	9.2
277.09183	1.8
277.21613	100.0
278.21909	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	1.9
55.01875	9.0
55.05511	16.5
57.02323	0.4
57.03434	1.8
57.07072	3.7
59.04992	0.4
65.03935	1.2
67.05502	35.5
69.03419	1.2
69.07065	14.4
70.82863	0.3
71.04996	2.9
71.08628	16.4
77.03917	2.3
79.05490	42.7
80.05830	0.7
81.03416	5.1
81.07053	37.4
82.07384	0.7
83.04987	4.7
83.08617	9.8
85.06542	3.2
85.10172	1.0
91.05473	23.0
92.05799	0.5
93.07041	57.6
94.07378	1.1
95.04350	0.4
95.04964	10.2
95.08601	24.0
96.08913	0.4
97.06531	6.7
97.10177	3.3
99.08088	14.0
101.90581	0.4
103.05474	0.6
105.04511	1.6
105.07024	16.6
107.04967	3.5
107.08591	28.2
108.05730	0.6
109.06506	4.0
109.10154	11.7
109.10887	0.6
111.08080	7.7
113.09644	1.7
117.07014	4.5
119.04871	0.4
119.08569	12.6
121.06501	1.7
121.09258	0.8
121.10139	15.8
122.10509	0.5
123.08048	2.9
123.11736	3.6
125.09645	2.1
127.07531	0.6
128.06204	0.7
129.07013	2.8
131.08551	4.4
133.06488	0.7
133.10118	10.4
135.08070	2.3
135.11681	18.4
137.09599	3.1
137.13237	1.6
139.07491	1.0
139.11165	0.9
141.12770	2.8
143.08546	2.5
145.10117	6.5
147.08040	1.0
147.11681	9.3
149.09605	2.5
149.13248	12.5
151.11166	9.6
153.09071	0.6
153.12735	1.2
157.10135	2.6
159.11713	3.1
161.09613	1.6
161.13255	9.1
163.11180	13.0
163.14816	4.7
164.11632	0.5
165.12732	4.9
167.10664	0.7
167.14311	0.8
169.12260	1.6
171.11673	4.3
173.11942	0.5
173.13261	1.8
175.11195	2.0
175.14809	4.3
177.12766	1.4
177.16394	1.1
179.10582	0.4
179.14313	5.1
181.12244	1.1
185.13261	3.7
187.14806	0.6
189.12726	2.5
193.12199	1.3
193.15915	1.2
195.13811	1.1
199.14853	1.6
203.14317	1.2
207.13805	2.3
209.15294	0.5
217.19441	2.0
221.15338	3.2
231.17418	1.0
231.21071	2.6
235.16927	1.8
241.19501	5.1
249.22043	2.4
259.20566	11.1
277.21613	100.0
278.17648	0.4
278.21951	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.36799	0.7
53.03938	2.4
55.01869	3.6
55.05259	1.3
55.05513	22.0
57.03438	1.2
57.07084	4.8
59.04986	1.2
65.03941	1.4
67.05508	37.4
69.03432	1.3
69.06708	1.2
69.07069	17.4
69.25668	3.4
71.04977	2.7
71.08627	3.6
73.06573	1.0
77.03918	2.7
78.79031	0.8
79.05497	69.7
81.03431	0.9
81.07059	40.7
83.04968	3.3
83.08627	9.1
85.06546	2.5
85.69466	0.8
87.59575	0.8
91.05482	31.5
93.07047	100.0
94.07359	1.5
95.04977	9.6
95.08608	29.3
96.08944	0.9
97.06531	2.9
97.10172	5.4
98.22836	2.5
99.08106	1.9
101.91883	0.9
105.04507	2.5
105.07033	20.2
107.08599	49.3
109.06523	4.7
109.10164	14.4
111.08087	2.3
117.07030	3.5
119.08574	14.4
121.06522	1.5
121.10149	39.8
123.08064	3.0
123.11697	4.3
125.09634	2.6
129.07022	3.4
131.08595	4.1
133.10143	13.9
135.08031	1.9
135.11694	40.6
137.05948	1.5
137.09616	2.4
139.11148	1.8
143.08565	3.2
145.10133	3.6
147.11678	9.4
149.02446	1.3
149.09669	2.1
149.13263	21.0
150.13628	1.2
151.11194	2.3
157.10144	2.4
159.11699	3.8
161.09627	2.1
161.13240	5.6
163.11176	3.1
163.14850	6.5
165.12762	1.9
171.11739	3.6
173.13283	2.8
175.11093	2.0
175.14867	2.9
177.12729	1.3
177.16423	1.1
179.14412	1.1
181.12224	0.8
185.13248	2.6
189.12785	1.6
193.12251	2.1
195.13858	2.3
199.14742	1.3
200.02649	0.9
203.14362	1.2
207.13786	2.5
213.16464	1.2
217.19518	1.2
219.17281	0.9
221.15369	3.9
231.21161	1.6
235.16951	3.4
241.19566	2.8
259.20599	8.5
277.08682	2.9
277.21646	94.1
278.17480	1.2
278.22110	4.2
278.28406	1.4
283.12061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01864	5.9
55.05511	19.6
57.07069	4.8
59.04979	1.6
67.05159	2.1
67.05502	32.1
69.07064	19.8
69.63419	4.2
71.05000	3.2
71.08631	2.1
79.05492	57.3
81.07059	42.8
83.04961	3.8
83.08626	9.7
85.06522	2.9
91.05478	24.3
92.05828	1.6
93.07042	90.9
94.07379	1.7
95.04961	7.3
95.08607	26.1
95.09197	2.1
97.06527	3.7
97.10153	3.7
99.04484	1.9
99.08108	3.1
105.04533	3.5
105.07027	17.0
107.08595	41.3
109.06496	6.0
109.10146	12.9
111.04433	2.9
111.08099	3.0
114.69939	1.8
117.07012	4.0
119.08567	14.5
121.10143	38.0
123.08035	4.1
123.11722	4.0
125.09618	2.4
129.06981	2.5
131.08551	5.2
133.10121	14.6
135.08034	3.2
135.11694	48.4
137.05969	18.9
137.09598	2.7
137.13190	2.0
139.11134	1.6
143.08575	1.9
145.10124	5.7
147.11681	9.9
149.02341	2.4
149.09625	2.3
149.13257	21.1
151.11165	2.4
155.10564	1.4
159.11688	3.9
161.09639	1.8
161.13274	6.8
163.11183	5.0
163.14864	8.5
165.12817	2.1
171.11739	2.9
175.11189	2.4
175.14845	3.3
177.12651	2.1
179.14293	2.0
181.12169	1.8
185.13206	2.3
193.08623	1.9
193.12302	1.8
195.13782	2.3
203.14597	1.7
207.13770	2.9
213.16289	2.7
217.19563	2.6
221.15414	3.2
231.17488	3.1
235.13310	2.2
235.16850	3.4
241.19574	3.9
253.80460	1.7
259.20596	7.0
277.08566	4.2
277.11890	3.3
277.21622	100.0
278.17438	2.4
278.21887	4.1
278.25674	1.4
278.28357	8.7
289.92764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.73190	1.0
53.03933	3.0
53.18960	1.1
55.05509	18.7
57.07061	4.6
65.03954	1.3
67.05500	35.2
69.07069	14.3
69.57163	1.1
70.09950	3.1
71.04962	3.3
76.17534	1.1
77.03903	2.3
79.05488	69.2
80.05817	1.2
81.07050	34.7
83.08614	7.5
85.06561	2.1
91.05477	25.2
93.07038	100.0
95.04955	7.1
95.08601	25.9
97.06498	1.7
97.10149	4.8
105.04514	4.2
105.07012	12.3
107.08588	52.8
109.06509	2.2
109.10152	15.0
117.07011	4.1
119.08550	12.1
121.10141	45.0
123.11709	3.7
129.06979	1.9
131.08557	3.3
133.10117	13.3
135.08125	1.6
135.11685	55.8
136.12041	1.7
137.09650	1.8
143.08524	1.7
145.10114	2.9
147.11653	9.3
149.09637	1.9
149.13232	22.2
157.10107	1.3
159.11707	3.6
161.13229	4.5
163.11224	1.5
163.14798	5.8
171.11658	3.4
173.13274	1.7
175.14795	2.7
185.13228	2.4
193.12225	2.0
195.13812	2.1
203.14191	1.4
207.13823	2.5
213.16333	2.6
221.15335	2.7
235.16922	4.8
241.19501	1.6
259.20551	3.8
277.08652	2.7
277.21616	83.7
278.21912	3.9
292.14859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03931	2.8
55.01848	1.3
55.05507	17.0
57.07068	2.9
67.05500	29.9
69.07064	14.6
71.04972	2.6
73.06528	1.3
77.03927	3.8
79.05487	73.8
80.05827	1.2
81.06563	1.7
81.07050	33.2
81.77190	1.1
83.04984	1.2
83.08615	9.2
85.06519	2.5
91.05472	24.3
92.05788	1.1
93.07037	100.0
94.07348	1.6
95.04973	6.2
95.08597	22.4
97.06511	2.6
97.10155	4.5
101.05991	1.5
105.04501	3.3
105.07010	12.9
107.08586	49.9
109.06506	2.3
109.10140	11.2
111.08028	1.2
117.07031	2.5
119.08591	10.6
121.10131	43.0
123.08076	1.4
123.11688	2.5
124.56298	0.9
129.06987	1.2
131.08560	2.5
133.10114	12.3
134.21262	0.9
135.10638	2.2
135.11681	44.4
137.09572	1.2
143.08551	2.3
145.10060	3.1
147.11661	6.8
149.13240	21.1
157.10098	1.8
157.72850	1.1
159.11678	2.7
161.09605	1.2
161.13240	4.4
163.14769	6.2
165.12831	1.1
171.11641	2.2
173.13297	1.8
175.14822	1.7
185.13194	2.1
189.12740	1.3
192.26585	1.2
193.12187	1.0
195.13721	2.4
199.14844	2.3
207.13835	1.6
213.16270	1.4
221.15393	4.1
231.17427	1.0
235.16873	3.4
236.34679	1.2
241.19473	1.3
259.20599	2.9
277.21600	59.1
278.21957	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
50.01594	0.5
51.02360	0.8
53.03945	2.5
53.66143	0.5
55.01863	3.7
55.05505	20.3
55.64194	0.5
57.03425	1.6
57.07068	3.6
59.05005	0.7
65.03928	2.1
67.05498	45.3
68.05808	0.7
69.03442	0.9
69.07059	18.6
69.55614	1.9
69.76582	0.5
71.01386	0.4
71.04984	2.7
71.08625	33.0
73.06556	1.0
77.03922	2.0
79.05486	69.9
80.05830	1.0
81.03416	6.2
81.07049	56.9
82.07397	0.7
83.04979	6.7
83.08611	9.9
85.06540	3.2
91.05470	34.5
92.05785	0.7
93.07035	100.0
94.07364	2.0
95.04958	14.2
95.08596	38.5
96.08955	1.2
97.06521	6.1
97.10144	4.2
98.23438	0.5
99.08085	21.5
103.05471	0.7
104.99236	0.7
105.04522	3.1
105.07021	21.5
107.04930	5.0
107.08583	56.6
108.08925	0.9
109.06506	4.1
109.10139	10.5
111.08057	1.9
113.09631	2.1
115.05404	0.5
117.06997	4.9
117.23195	0.5
119.06049	1.0
119.08564	16.0
121.06498	1.7
121.10132	47.5
122.10483	0.7
123.08042	2.7
123.11675	1.9
125.09608	1.2
127.07613	0.6
127.11153	0.5
129.06998	1.8
131.08554	5.6
133.06522	0.5
133.10120	13.2
135.08066	1.5
135.11678	56.7
136.12024	0.8
137.09586	2.9
137.13239	0.7
139.11211	1.5
141.09081	3.5
143.08568	2.5
145.10101	5.2
147.08041	1.0
147.11688	6.7
149.09628	1.1
149.13232	16.1
151.11163	11.5
153.12726	0.7
157.09003	0.4
157.10060	2.9
159.11681	4.1
161.09575	1.3
161.13242	8.6
163.11174	6.2
163.14769	3.9
165.12790	1.7
167.10710	2.3
170.10794	0.5
171.11670	2.6
173.13263	2.0
175.11230	1.0
175.14780	2.9
177.12726	3.3
177.16350	0.7
179.14288	40.2
180.14615	0.9
181.12218	1.4
185.13260	2.0
189.12756	2.0
191.14285	0.6
193.12321	0.6
193.15903	0.7
195.13800	2.2
199.14923	1.3
203.14305	1.1
207.13834	1.9
213.16409	0.8
217.15948	0.9
221.15332	4.5
231.17383	1.0
231.21036	0.5
235.16913	3.6
241.19572	2.3
259.20499	5.1
277.21594	91.3
278.17447	0.9
278.21960	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.8
55.05511	15.9
56.05818	1.0
57.03437	4.6
57.07074	4.1
59.70579	0.7
65.03934	0.7
67.05502	31.7
68.05824	0.9
69.07068	12.0
70.06587	1.0
70.07399	0.8
71.04987	7.8
71.08626	3.1
71.46328	0.7
77.03950	1.1
79.05489	40.5
80.05806	1.1
81.07053	36.5
82.07382	1.9
83.04992	1.8
83.08614	7.0
85.06549	2.7
89.07980	0.9
91.05474	27.7
92.05795	3.6
93.07040	60.5
94.07381	3.2
95.04958	6.3
95.08603	25.3
96.05318	1.0
96.08939	1.3
97.06523	4.4
97.10175	2.6
99.08095	2.3
105.04484	1.8
105.07018	22.1
106.07337	4.0
107.07819	1.8
107.08587	33.4
108.08965	1.5
109.06509	3.1
109.10148	10.9
113.09677	1.4
117.07003	5.9
118.07365	1.1
119.08572	20.5
120.08918	3.6
121.06502	1.5
121.09269	1.9
121.10138	28.0
122.10486	1.2
123.08100	3.0
123.11687	4.7
125.09638	1.3
128.06277	1.2
129.07010	3.3
131.08563	9.8
133.10118	18.4
134.10475	1.7
135.08087	4.0
135.10826	1.1
135.11688	24.0
137.09636	2.1
137.13255	1.3
139.11246	0.9
143.08578	2.8
145.10115	6.0
146.10515	1.1
147.08092	2.3
147.11700	13.8
148.12024	2.2
149.02338	7.9
149.09628	2.3
149.13281	15.1
151.11221	2.2
153.09149	1.4
157.10201	3.7
159.11646	4.7
161.06064	0.9
161.09644	2.7
161.13335	6.5
162.06862	0.8
163.11232	2.2
163.14830	6.7
165.09113	1.0
165.12817	3.0
171.11682	3.9
173.13359	5.6
175.07579	2.4
175.11197	3.6
175.14793	4.0
177.12732	1.2
177.16438	0.9
179.10777	0.9
179.14349	1.2
181.12238	1.9
185.13277	4.4
187.14857	3.3
189.12825	2.3
189.16344	1.1
191.14365	2.2
193.08656	3.0
193.12289	2.9
195.13853	1.9
199.14832	1.0
203.14178	1.1
205.15945	1.9
207.13715	4.0
209.15298	0.8
213.16443	1.2
215.18015	1.1
217.12334	3.2
217.19490	7.2
221.15384	3.6
231.17461	1.8
231.21100	2.2
234.06746	0.8
235.13304	5.3
235.16963	1.7
241.19533	7.4
255.08981	0.9
259.17511	0.9
259.20590	11.2
277.08487	2.4
277.14429	3.8
277.21594	100.0
277.28201	14.7
278.17752	0.8
278.21906	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.04582	0.7
52.58233	0.6
53.03942	2.1
55.01879	1.6
55.05253	1.3
55.05508	16.2
57.03427	5.7
57.07072	3.3
58.07410	0.7
59.05001	1.3
65.03944	1.5
67.05502	32.3
68.05844	1.1
69.03419	0.7
69.07069	13.5
69.34483	0.8
70.61033	0.7
70.71029	1.1
71.04987	9.6
71.08629	1.0
77.03926	1.8
79.05488	41.2
80.05836	2.6
81.03418	0.9
81.07053	37.0
82.07373	1.1
83.04974	2.5
83.08617	7.4
85.06541	2.9
91.05471	25.7
91.80708	0.8
92.05810	1.8
93.07039	57.8
94.07389	2.0
94.97729	0.7
95.04967	6.3
95.08601	29.7
96.05268	0.7
96.08959	1.7
97.06527	5.0
97.10182	2.9
99.08092	3.1
101.06055	0.9
101.37461	0.7
105.04517	1.7
105.07024	22.1
106.07361	3.7
107.04986	1.1
107.07830	1.8
107.08585	33.8
108.08952	1.5
109.06528	4.6
109.10149	11.1
111.08089	2.6
113.05933	0.8
113.09664	2.4
114.98374	0.8
117.07017	5.7
118.07324	0.9
119.06045	0.9
119.08575	18.3
120.08866	4.0
121.06528	2.2
121.09293	1.3
121.10134	31.7
122.10442	0.9
123.08089	3.2
123.11660	4.1
125.09628	2.0
127.07585	1.2
129.06990	3.5
131.08539	8.2
133.10115	15.2
133.11021	1.2
134.10498	2.1
135.08075	2.3
135.11682	26.9
136.12036	1.3
137.09633	1.8
137.13210	2.0
143.08583	1.8
145.10126	8.0
146.10445	1.4
147.08080	2.1
147.11684	13.2
148.12042	1.1
149.02309	6.0
149.09637	1.8
149.12144	1.0
149.13258	17.3
151.11218	1.8
153.09151	1.6
157.10141	2.7
158.10512	1.0
159.11719	5.1
160.12013	0.9
161.09625	2.0
161.13297	6.7
163.11246	2.9
163.14838	6.3
165.12753	1.6
167.10762	1.0
171.11720	3.3
173.13248	5.8
175.07555	0.9
175.11212	3.0
175.14859	3.4
177.12799	2.0
179.10718	1.6
179.14261	1.1
181.12318	2.0
185.13286	3.3
187.14835	2.9
189.12776	2.7
189.16470	1.2
191.14381	2.9
193.08623	1.8
193.12289	2.9
195.13750	1.4
199.14835	1.1
201.16235	0.8
203.14311	1.7
205.15924	2.9
207.13750	5.1
213.16400	1.8
217.19533	5.0
221.15324	3.8
231.17570	1.7
231.21202	1.3
235.09604	1.0
235.13338	3.0
235.16989	1.9
241.19522	6.8
259.20535	9.6
277.05402	0.7
277.08182	3.7
277.14938	3.8
277.21591	100.0
277.28140	13.2
278.17734	1.2
278.21918	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05512	24.4
57.03426	0.8
57.06857	0.7
57.07076	7.9
59.04980	1.1
65.03951	0.8
67.05502	9.7
69.03421	2.3
69.07068	5.2
79.05489	7.0
81.03403	1.8
81.07058	11.0
83.04978	2.6
83.08620	15.9
85.02924	0.9
85.06523	1.6
86.09702	1.1
91.05494	3.9
93.07043	5.8
95.04947	1.5
95.08602	5.5
95.56983	0.6
97.06526	3.6
97.10168	39.2
98.10461	0.9
99.08105	0.8
105.07020	4.5
105.10252	0.9
107.08595	10.6
109.06541	1.0
109.10157	2.3
111.08044	1.4
117.06989	0.9
119.08570	3.6
120.08121	1.1
121.02873	2.9
121.10136	1.4
125.09630	36.9
129.07024	1.1
133.10132	2.5
135.08058	3.3
135.11676	1.0
137.13237	1.3
140.10738	1.6
143.08647	0.8
143.10638	2.5
145.10146	0.9
147.11652	3.5
149.02339	65.6
151.16356	0.8
153.09079	2.1
161.13193	5.8
164.04236	1.3
167.03450	0.8
171.10161	5.8
171.11719	2.0
173.11731	1.8
174.02724	1.0
174.54221	0.8
179.14383	4.0
187.13310	2.0
189.11217	100.0
190.11565	2.3
191.08636	1.2
191.11783	0.8
205.08693	1.1
207.13797	8.4
216.07401	2.2
219.08018	1.6
223.09715	0.8
225.14825	2.3
236.08380	0.9
245.55104	0.8
251.10655	3.4
251.32030	0.7
260.10062	0.9
278.14673	0.8
278.17645	2.9
278.20950	1.6
279.10178	4.1
279.15918	0.8
294.32913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	3.2
57.07064	5.0
58.06600	6.0
59.16079	1.4
60.40215	1.6
67.05488	2.0
69.07085	1.8
69.92647	3.5
70.06603	1.3
71.04990	3.1
71.08663	1.6
72.08151	2.8
74.06079	2.9
79.05525	2.9
81.03441	3.3
81.07068	1.9
81.59260	1.2
86.06087	3.0
88.07629	23.5
91.05479	3.4
93.07078	3.0
97.08931	1.5
98.06837	1.5
104.07107	2.6
105.07009	2.4
107.08633	3.6
118.08653	1.8
121.10162	1.9
124.12292	1.5
129.07030	1.8
131.08572	1.9
132.10188	4.7
133.10172	2.4
145.10027	1.9
147.11656	2.1
149.02347	30.1
149.09619	2.8
156.69656	1.5
162.11295	2.6
166.10820	1.7
167.05067	1.7
175.11211	3.9
186.18556	30.0
186.20082	2.8
193.12250	6.3
211.13295	23.1
225.14911	2.3
230.21155	8.7
231.35336	1.6
262.18112	2.2
278.23291	100.0
279.23816	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.5
55.01868	0.6
55.05262	0.6
55.05510	9.2
56.05833	1.1
56.55283	0.4
57.07072	3.4
58.06597	9.7
59.11956	0.5
65.03502	0.4
65.03937	0.6
67.05502	22.2
68.05823	1.1
69.07063	6.1
70.07412	0.8
71.05016	0.4
71.08620	2.0
72.08140	1.2
72.08968	0.7
79.05486	6.2
80.05827	2.7
81.07053	19.5
82.07388	2.3
83.04992	0.9
83.08626	3.9
86.00463	0.4
91.05462	2.0
92.05796	1.7
93.07034	6.9
94.07367	4.4
95.04946	1.4
95.08599	20.1
95.09219	1.0
96.05250	0.5
96.08922	1.7
97.06514	0.4
97.10154	1.4
98.09674	0.6
98.97552	0.8
99.08109	2.2
100.08384	0.5
102.02636	0.4
104.99277	1.1
105.07022	1.3
106.07338	1.4
107.08582	3.7
108.08931	1.9
109.10154	5.8
110.10497	1.1
119.08552	1.6
120.08900	0.9
121.02841	0.8
121.10165	2.8
122.10484	2.3
123.11670	0.9
124.08373	0.5
131.08505	0.5
132.08888	0.6
133.10158	1.1
134.10431	0.8
135.11685	2.4
136.12000	2.1
145.10155	0.5
146.10428	0.7
147.11725	0.5
148.11995	0.9
149.02333	19.5
149.13191	0.8
150.13589	1.1
151.11122	0.4
152.11520	0.6
162.13593	1.0
162.75572	0.4
163.11154	0.7
164.11493	0.8
165.12726	0.5
168.26561	0.4
179.14290	0.9
180.14586	1.4
192.05617	0.9
205.06334	0.5
232.73436	0.4
232.80360	0.5
235.07323	0.5
238.93265	0.5
242.19727	0.8
243.93199	0.4
250.22571	0.5
255.09067	1.2
260.20969	1.0
278.05643	1.1
278.09329	1.3
278.22064	12.3
278.28400	100.0
279.09509	0.9
279.28735	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	3.1
65.55258	0.8
69.03412	1.7
69.56838	2.7
71.04989	2.6
82.99839	4.1
84.08141	2.7
85.02910	1.9
88.49103	0.8
89.00910	1.0
92.79002	0.9
98.97585	1.4
100.07621	3.0
101.00888	52.1
107.49582	0.7
112.47474	0.8
113.00188	0.9
113.00857	5.3
115.02438	1.5
118.08678	10.5
119.01929	87.0
120.02009	1.9
121.01639	1.0
121.02851	1.0
124.02432	1.3
131.01918	12.1
133.03511	1.4
136.94038	34.8
137.02982	10.0
142.03514	1.9
143.01910	43.9
144.02069	1.0
145.03470	2.0
149.02330	24.5
157.03461	2.7
159.01410	8.0
161.02972	100.0
162.03041	1.8
171.01399	1.9
173.03004	6.8
175.04510	1.6
177.02478	24.8
177.04048	1.7
179.04047	2.7
184.04591	1.0
185.02977	1.7
187.04539	1.8
189.02455	4.8
189.04008	1.0
191.03995	4.7
195.03593	1.4
196.86926	1.4
203.04010	11.2
207.03516	0.8
219.03494	3.3
221.05112	1.4
233.05087	3.2
234.14569	0.8
237.02820	2.1
261.01941	1.7
261.04596	24.4
261.07361	1.2
278.95425	1.7
279.05627	36.4
280.13934	1.3
297.06793	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62214	1.2
56.96558	4.6
57.07075	9.7
70.06589	8.2
84.08157	2.5
94.93016	5.5
98.97578	68.0
98.99591	1.7
103.40649	1.3
110.97564	14.9
112.08795	2.1
112.14418	1.3
116.98615	29.5
118.08652	21.2
119.01923	1.7
121.02856	2.8
128.98579	10.6
134.99663	6.1
136.94017	100.0
137.57518	1.5
146.99657	4.4
149.02332	81.1
158.99637	32.9
162.11243	4.2
162.12439	2.6
167.03490	1.6
170.99611	9.6
177.00710	36.1
189.00700	17.9
195.01834	2.8
207.01721	7.6
219.01749	7.7
237.02846	5.0
278.09305	3.2
278.95142	6.1
279.04294	6.6
279.10983	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.05792	0.3
57.07076	8.5
65.03949	0.4
69.07066	12.7
69.53203	0.8
69.53600	0.4
76.05642	0.3
86.09703	100.0
87.10021	0.8
95.08585	0.3
98.97594	0.5
101.06120	0.3
103.05461	0.8
120.08099	9.5
121.02869	2.8
121.03937	0.5
130.52066	0.3
131.04883	0.3
136.07529	0.5
149.02335	69.0
150.02647	1.0
166.08624	5.8
167.03360	0.9
205.08644	0.6
233.16499	0.6
245.10176	0.3
279.09537	0.8
279.17044	4.1
289.91327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.82546	0.3
51.65974	0.3
57.07075	7.7
63.26112	0.3
64.00768	0.3
65.03917	0.6
65.22193	0.3
69.03425	0.3
69.07069	0.6
69.57005	1.1
77.03915	0.4
86.09709	15.0
91.05491	0.9
93.07033	1.7
103.05472	4.3
107.04982	0.3
114.05511	0.3
117.07012	0.3
120.08102	100.0
121.02863	2.4
121.04003	0.6
121.06507	0.3
121.08448	1.9
132.10201	2.1
136.07559	1.2
140.10707	0.7
141.11035	0.8
148.07640	0.4
149.02339	61.1
150.02672	1.1
160.07574	0.6
161.00616	0.3
162.05542	0.5
164.07036	0.6
165.09091	1.5
166.08638	1.4
167.03375	0.9
190.08748	0.5
191.08510	0.6
192.06544	0.6
205.08614	0.9
206.08121	0.8
219.08043	0.5
222.00381	0.3
233.16423	1.2
234.07445	1.7
251.10591	0.3
279.10101	1.1
279.17035	6.0
280.08038	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1818
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
55.01881	0.2
55.05520	2.7
56.96584	0.3
57.07079	12.0
60.05659	0.6
65.03947	1.2
67.05502	0.3
69.03424	0.4
70.06590	0.8
72.04539	0.4
72.08157	2.6
74.90147	0.2
79.05524	0.3
81.07064	0.3
84.08144	0.3
85.02903	0.2
95.04993	0.8
96.08091	0.3
97.02969	0.3
97.07664	2.7
98.06063	10.8
98.97590	1.5
99.08080	0.5
103.05485	1.2
104.99274	0.5
105.07024	0.9
106.06567	0.4
107.04967	0.3
113.10771	0.9
114.09177	2.3
114.10303	4.6
115.08696	4.9
116.98627	0.8
117.09152	0.3
118.06560	0.3
121.02869	4.1
121.03923	0.6
131.04929	7.5
140.08203	0.9
149.02347	100.0
150.02695	1.6
156.11371	1.2
157.10869	5.6
158.99648	0.5
159.11708	0.4
167.03403	1.3
172.08862	0.4
173.13953	1.6
177.00763	0.8
181.08621	0.4
187.11153	0.5
189.00621	0.3
190.09789	0.4
201.13870	3.2
202.12225	2.8
202.13676	0.2
205.08621	1.1
215.10701	0.4
219.15094	0.4
233.11557	0.5
244.14485	3.9
261.17056	0.7
279.09241	0.8
279.18167	24.4
279.68564	0.8
280.18396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.2
57.07060	4.3
58.07403	1.6
59.55802	1.1
68.99798	5.9
69.49625	5.2
71.01360	3.2
72.07263	1.1
79.05478	1.7
84.04497	13.9
86.09695	5.1
89.02335	1.1
91.05476	12.1
93.05798	1.8
93.06967	1.2
95.04961	1.7
98.23530	1.2
103.05446	3.4
104.05014	1.4
104.05768	1.4
106.06548	2.4
109.06515	1.7
115.05474	1.4
116.05000	1.9
117.05759	6.5
120.04468	37.3
120.08104	36.0
121.06507	26.4
121.08437	22.1
123.06760	1.5
124.07565	1.5
125.05983	1.3
126.10371	1.1
130.04999	2.5
130.06519	2.5
131.07321	3.6
132.04448	3.0
132.08060	1.9
133.05241	11.2
134.06007	8.4
136.07571	100.0
137.05978	2.7
137.07939	1.2
138.09128	7.0
139.07556	6.6
141.11075	1.3
143.09178	1.0
145.05226	4.0
145.06352	1.5
146.06004	19.8
147.06812	8.3
148.07562	27.0
149.02335	16.1
149.04704	1.5
149.07112	1.4
150.02660	15.6
150.09146	2.4
152.07060	13.5
157.05246	2.2
158.06064	1.8
160.07570	37.8
161.08162	1.5
162.05505	32.5
162.09135	18.6
164.07065	34.1
166.09402	2.1
172.07491	5.1
174.05464	1.5
175.06320	3.5
176.07062	7.4
178.08640	18.7
180.06558	2.9
187.14946	1.1
188.07082	28.1
190.08626	16.9
192.06552	26.5
200.07036	4.0
206.08127	39.1
208.06105	1.8
216.06557	18.9
218.08107	2.8
234.07599	93.3
235.07932	3.3
252.08647	4.8
262.07095	15.7
280.08148	75.4
280.11096	2.6
280.19043	2.5
281.08286	3.1
304.78488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.2
57.07062	0.2
67.05470	0.2
68.81026	0.1
69.03420	0.2
69.36932	0.2
69.37328	0.3
70.02948	0.3
70.17587	0.1
72.04509	0.5
73.02923	0.2
74.02438	3.7
75.02735	0.1
79.05476	0.3
81.07047	0.3
82.02979	0.2
85.02931	0.2
88.03986	0.4
89.86968	0.1
91.05462	0.8
93.05774	2.0
93.07050	0.4
95.04951	0.2
98.22744	0.2
98.97575	0.3
100.03969	0.3
104.04987	0.5
105.07021	0.2
106.06530	0.3
108.08122	0.2
109.06516	1.0
116.98605	0.3
117.05733	0.2
118.05029	0.5
119.10671	0.4
121.05258	0.6
121.06496	1.6
121.10138	0.5
124.07599	0.3
128.03395	0.2
130.04984	0.2
136.07571	100.0
137.05986	0.1
137.07910	2.1
138.09138	0.5
139.07529	0.4
145.06609	0.2
146.04510	0.5
146.06006	0.5
148.07574	0.4
148.29723	0.1
149.02345	0.3
150.02592	0.2
151.02831	0.2
159.06784	0.2
160.07632	0.3
162.05489	0.4
162.09129	0.6
164.07059	2.2
172.07533	0.5
176.06937	0.2
184.06334	0.3
185.07190	0.1
185.18094	0.1
186.07800	0.2
189.10283	0.9
190.08611	1.1
192.06575	1.3
199.08620	0.9
200.07057	0.7
201.10156	0.3
217.09731	1.5
218.08163	0.2
235.10768	0.6
245.09209	0.4
251.08997	0.2
258.99753	0.3
263.10284	5.3
264.08582	2.0
264.16174	0.2
269.03085	0.1
277.00739	0.3
281.11389	1.5
281.19101	0.5
282.16727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	0.2
68.05029	0.4
69.22552	0.6
70.02938	0.4
72.04511	0.5
74.02441	3.9
79.05486	0.2
81.07050	0.3
84.04498	0.2
87.04449	0.2
88.03967	0.2
89.56965	0.1
91.05478	0.9
93.05774	2.0
95.04965	0.2
97.70712	0.1
100.03976	0.4
104.04974	0.4
105.04537	0.2
108.08102	0.2
109.06509	1.0
118.05000	0.4
120.04462	0.4
121.05255	0.6
121.06507	1.5
124.07635	0.2
130.05019	0.2
136.07571	100.0
137.06207	0.1
137.07913	2.4
138.09137	0.4
139.07558	0.5
146.04480	0.6
146.06059	0.7
146.68257	0.1
148.07555	0.5
149.07082	0.2
152.07106	0.2
160.07567	0.2
162.05513	0.5
162.09103	0.8
164.07062	2.3
172.07608	0.3
174.05507	0.2
174.09157	0.2
184.06320	0.2
185.04700	0.1
188.07108	0.2
189.10234	0.8
190.08662	1.0
192.06535	1.0
199.08640	1.3
200.07030	0.7
200.09042	0.1
201.10199	0.4
217.09741	1.7
218.08177	0.1
227.08101	0.2
228.06517	0.1
235.10762	0.6
238.17970	1.2
245.09288	0.4
248.08029	0.1
255.00667	0.1
263.10260	5.5
264.08612	1.6
281.11484	1.2
282.20557	1.2
282.23062	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	0.1
56.05010	0.1
56.84365	0.1
58.94867	0.1
63.77296	0.1
68.05006	0.3
70.02956	0.4
72.04510	0.2
73.02901	0.1
74.02437	3.5
75.48694	0.1
77.03960	0.1
79.05478	0.3
81.07054	0.2
82.02939	0.1
84.04500	0.1
88.03990	0.3
91.05468	0.7
93.05776	2.0
95.04901	0.1
99.00795	0.2
100.03992	0.5
104.04990	0.4
106.06547	0.2
108.08092	0.2
109.06532	0.8
112.03960	0.1
117.05728	0.1
118.05035	0.4
121.05237	0.6
121.06506	1.5
124.07595	0.2
128.03418	0.1
130.05022	0.2
133.05209	0.1
136.07567	100.0
137.06010	0.2
137.07918	2.0
138.09120	0.5
139.07491	0.5
146.04514	0.5
146.05968	0.5
147.06844	0.2
148.07552	0.4
156.06850	0.2
159.06831	0.1
160.07564	0.2
161.07089	0.1
162.05534	0.4
162.09113	0.8
164.07063	2.4
164.08458	0.1
168.06808	0.1
172.07588	0.6
174.07811	0.1
174.09146	0.1
176.07040	0.1
184.06255	0.2
185.04741	0.1
185.07188	0.1
186.07880	0.2
187.08707	0.1
188.07088	0.2
189.10205	0.9
190.08612	1.0
192.06558	1.1
199.08647	1.0
200.07056	0.7
200.08879	0.1
201.10188	0.4
208.09665	0.1
217.09706	1.7
218.08183	0.1
227.08112	0.1
235.10793	0.6
245.09164	0.4
263.10254	4.9
264.08539	1.7
281.11322	1.3
282.11594	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20102	0.3
55.05523	0.3
56.05039	1.3
63.27983	0.3
64.18099	0.3
65.03928	0.7
67.05522	0.3
74.02436	0.4
76.87109	0.3
79.05507	2.1
81.07057	0.5
83.80976	0.3
84.04510	40.2
85.04840	0.3
91.05485	0.8
92.05000	3.8
93.07047	4.5
95.04964	0.5
98.97586	0.8
102.05539	0.9
105.07069	0.4
107.08601	1.1
108.08129	0.5
116.98622	0.4
119.08618	0.4
120.04473	100.0
121.04809	1.9
121.06482	0.6
121.10155	4.9
122.06011	0.4
122.06829	0.5
129.80312	0.3
130.05003	7.4
136.07565	2.7
137.07927	1.6
149.07907	0.7
149.09665	0.4
150.02632	0.3
152.07074	25.9
153.07368	0.6
160.07680	0.3
161.07953	1.4
162.05623	0.4
163.05888	0.7
163.09502	0.3
164.07074	0.3
165.07396	0.7
171.11838	0.4
185.07149	1.1
186.05548	2.7
189.07358	0.7
191.08939	0.7
193.06906	0.5
207.08426	1.0
217.06871	0.5
218.08168	0.6
232.06061	1.2
235.07938	2.3
249.08656	0.6
258.99646	0.5
263.07861	0.4
264.08627	0.8
264.15982	1.1
277.00702	0.6
281.08429	1.2
281.11212	0.9
281.18887	0.9
282.16782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	0.2
54.14594	0.2
55.01867	0.2
58.30817	0.1
64.11818	0.1
68.05022	0.2
69.03391	0.2
69.74181	0.3
69.74544	0.3
70.02948	0.3
72.04503	0.3
74.02444	3.5
79.05503	0.2
81.07064	0.3
83.08649	0.2
88.04000	0.5
91.05446	0.8
93.05767	1.5
98.22847	0.2
98.97576	0.7
100.03956	0.3
103.07626	0.2
104.05003	0.4
108.08022	0.1
109.06512	0.9
116.98617	0.2
118.05022	0.5
120.08102	0.7
121.05225	0.6
121.06499	1.8
136.07568	100.0
137.06091	0.2
137.07909	2.0
138.09148	0.5
139.07512	0.4
146.04466	0.5
146.06026	0.4
147.06808	0.2
148.07549	0.3
150.02692	0.2
150.07747	0.3
160.07608	0.2
162.05499	0.3
162.09148	0.5
164.07056	2.2
166.08659	0.4
172.07568	0.4
175.06306	0.2
184.06288	0.2
185.04787	0.2
188.07088	0.2
189.10214	0.9
190.08611	1.0
190.10117	0.2
192.06523	1.2
194.49838	0.1
199.08609	1.1
200.07024	0.6
201.10269	0.4
207.10271	0.2
217.09711	1.9
218.08037	0.3
223.43425	0.2
234.10100	0.2
235.10718	0.8
245.09300	0.3
258.99832	0.4
263.10272	5.2
264.08618	1.8
264.10873	0.2
277.00784	0.4
281.11444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02359	2.1
53.03939	4.1
55.01858	4.7
55.05514	31.6
57.03440	29.9
57.07046	1.7
61.62930	1.2
61.85747	1.1
65.03922	4.4
66.04711	1.0
67.05507	85.7
69.03423	1.5
69.07067	17.5
70.15035	3.2
71.04973	5.3
72.08154	1.4
73.06533	2.2
75.35680	1.1
77.03910	2.4
79.05496	100.0
79.45074	1.4
80.05793	2.1
81.03418	12.3
81.07059	61.5
82.07388	1.8
83.04985	33.4
83.08617	10.1
84.08147	1.6
85.02898	2.0
85.06532	4.1
85.13028	1.0
91.05484	66.0
93.07047	77.5
94.07374	1.5
95.04974	34.3
95.08610	42.0
97.06534	8.6
97.10143	4.9
98.97568	9.0
101.06010	1.2
103.00752	1.1
103.05467	2.3
104.99279	2.8
105.04482	4.3
105.07033	59.6
106.07359	1.8
107.04952	6.8
107.08594	21.1
109.06541	9.7
109.10167	9.2
111.08057	2.7
114.10259	2.0
115.05437	1.4
116.98589	4.7
117.07014	12.4
119.07754	2.0
119.08583	31.8
121.06472	3.2
121.10136	7.3
123.08073	8.8
127.07532	2.8
127.87701	1.1
129.07024	20.1
131.08511	3.2
133.10118	15.5
134.99669	1.7
135.07994	2.2
135.11661	3.7
136.07558	3.6
137.09570	2.3
141.09027	2.4
143.08563	12.1
145.10123	13.7
147.08041	3.7
147.11693	45.9
148.12045	2.0
149.02304	1.4
150.02693	1.6
151.11188	1.5
156.09320	1.4
157.10118	1.2
159.11624	1.7
161.09610	6.4
161.13260	15.9
163.11192	1.3
169.08705	1.6
169.10088	1.8
171.11693	35.8
179.14311	1.3
189.12738	14.9
193.87047	1.3
207.13797	16.2
258.99713	3.4
263.16272	1.5
263.20084	1.4
264.19757	2.3
277.00769	4.9
281.17416	57.5
281.20874	2.8
281.23401	2.8
282.17645	2.7
282.20523	1.5
282.23453	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03930	3.9
53.98718	1.4
55.01855	5.6
55.05268	1.8
55.05513	31.4
57.03434	32.5
57.07057	2.6
59.05000	1.3
65.03928	5.0
67.05502	90.3
69.03436	3.0
69.07066	21.1
71.04977	5.9
71.46445	1.6
73.06531	2.1
77.03886	1.3
79.05492	100.0
80.05811	1.3
81.03420	13.2
81.07053	60.5
83.04536	2.0
83.04980	30.4
83.08622	11.7
85.02917	2.0
85.06533	5.2
91.05480	64.0
91.06057	3.1
93.07041	75.7
95.04973	26.2
95.08597	38.6
97.06532	7.7
97.10175	6.5
98.97559	8.8
104.99254	3.3
105.04491	3.3
105.07025	49.0
107.04929	5.8
107.08598	21.9
107.78329	1.3
109.06525	10.2
109.10156	9.7
111.08066	3.2
116.98592	9.3
117.07022	11.3
119.08576	36.4
121.06467	6.6
121.10139	7.1
123.08091	11.6
127.07575	1.9
129.06995	19.4
131.08528	4.5
133.10114	14.9
134.99631	3.8
135.08028	2.4
135.11678	4.9
136.07539	5.0
137.09587	2.8
141.09018	1.4
143.08528	10.2
145.10110	12.9
147.08015	4.0
147.11682	42.4
150.02690	3.2
151.02826	2.4
159.10176	1.8
159.11594	1.5
161.09554	4.9
161.13239	17.9
163.11139	1.5
171.11676	33.1
179.14287	1.9
189.12714	14.0
190.24895	1.5
203.14349	1.5
207.13782	15.0
225.14734	1.8
258.99719	5.3
263.16458	2.9
263.20065	2.7
277.00848	8.8
281.13675	4.6
281.17383	67.2
282.17664	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	0.5
53.03946	5.8
55.01868	1.9
55.02970	0.6
55.05510	3.7
57.03431	0.7
57.07073	0.9
60.05639	1.9
62.53544	0.5
67.05504	10.5
69.06708	0.8
69.07067	13.5
70.06602	1.1
70.73617	0.8
72.08155	13.4
73.04039	0.9
73.34049	0.5
77.08948	0.5
79.05483	5.1
81.03416	30.9
81.07053	9.6
83.04975	5.6
91.05473	2.5
93.07039	2.1
95.04967	12.1
95.08611	1.5
97.07658	3.2
97.08182	0.7
98.06051	3.4
98.97546	0.9
105.07027	3.9
107.08583	3.0
109.06504	1.9
109.10140	2.3
109.77997	0.5
114.10289	28.5
115.08683	7.7
116.98594	0.8
119.08549	0.5
123.08070	0.7
123.11722	1.2
129.07030	0.6
131.08633	0.6
131.12952	1.0
133.10143	2.7
136.07573	0.7
140.08261	0.5
148.02132	0.5
150.02696	0.6
151.02802	0.8
151.11177	24.9
154.12212	0.7
168.13803	1.2
180.13817	3.4
182.11581	0.5
196.13411	0.9
210.14859	0.7
221.20137	12.0
222.18526	20.5
239.21135	1.3
258.99652	0.8
263.16296	0.5
264.20709	14.7
265.20743	0.6
277.00787	0.8
281.11673	1.3
281.23352	100.0
282.23669	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.3
56.96566	8.2
61.44822	0.3
70.06185	0.5
70.06535	0.5
71.95271	0.6
72.22800	0.3
78.95273	0.4
86.09689	0.7
96.75050	0.3
98.97578	100.0
99.97916	0.5
101.00874	0.3
109.07645	0.4
110.08434	1.7
111.09209	0.9
116.98615	47.4
119.01938	0.4
133.05104	0.4
134.99649	11.7
138.10237	0.3
140.00186	0.4
147.42252	0.3
150.07741	18.8
153.00694	1.0
160.06285	0.3
166.09756	0.5
174.97702	0.4
181.97414	0.3
188.96019	0.3
216.98703	0.9
222.08232	0.3
234.99800	1.2
240.98640	3.4
241.00859	0.3
250.05763	0.3
258.99747	44.2
259.06302	2.2
259.99921	1.5
264.06799	0.3
268.07196	0.6
277.00803	57.0
278.01010	1.9
279.01315	0.4
279.12512	0.5
279.62521	0.8
282.01389	0.6
282.04767	0.7
282.07578	1.7
282.11942	1.3
282.99924	0.8
295.01865	0.5
300.02386	0.4
300.08636	0.7
301.00989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97024	2.7
55.99836	2.3
56.96563	8.7
57.99109	2.7
64.35532	2.7
66.37100	2.3
70.08016	2.2
71.04962	2.3
71.44036	2.5
95.58842	2.5
98.97588	100.0
104.99296	4.1
114.56423	2.5
116.98630	68.1
134.09636	4.0
134.99660	33.0
149.02380	3.6
150.02679	6.3
153.00603	2.5
185.96265	2.5
258.99786	53.6
277.00821	78.1
282.22043	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.4
56.96284	0.5
56.96569	9.8
70.08122	0.7
71.95264	0.6
76.09969	0.3
79.25184	0.3
86.09711	0.6
89.88890	0.3
90.94744	0.3
91.36494	0.3
98.97590	100.0
99.97960	0.4
100.57538	0.3
109.07648	0.7
110.08433	1.2
111.09216	1.0
116.98631	42.2
120.08020	0.3
134.99666	9.9
140.00226	0.5
150.02725	0.4
150.07750	6.1
153.00754	0.6
174.97708	0.6
216.98773	0.7
222.58405	0.4
234.99820	0.8
240.98650	3.3
241.98822	0.3
250.56187	0.4
255.22731	0.3
258.99780	45.4
259.06525	1.3
260.00003	1.9
268.06927	0.4
277.00833	57.4
278.01065	2.4
279.12527	1.0
279.62424	1.1
282.01309	0.4
282.04633	0.4
282.07642	1.1
282.12280	0.5
282.99982	0.8
285.01318	0.3
288.06128	0.4
295.01895	0.6
300.02414	0.7
300.08484	0.7
301.01080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05508	0.5
56.96565	9.1
57.97812	0.4
60.22945	0.4
61.02926	0.8
62.99070	0.4
67.05487	1.6
69.03410	1.0
70.00298	1.2
71.55843	0.4
71.95244	0.8
72.08163	0.7
79.05492	0.5
81.07072	0.6
85.02909	3.9
85.06541	16.7
86.03261	0.4
88.03993	2.7
97.02881	0.6
98.97580	100.0
99.41644	0.4
99.97900	0.7
103.07581	8.4
104.10746	1.0
106.12714	0.4
109.02875	0.6
109.07630	0.9
109.10189	0.6
110.08433	2.6
111.09220	1.2
116.98620	53.3
120.08077	1.4
121.08444	0.6
121.18977	0.4
125.09499	0.4
127.03919	0.7
132.01907	0.4
134.57278	0.4
134.99657	16.0
136.06178	1.2
136.07542	0.8
140.06828	1.9
145.04985	1.6
146.08128	1.0
149.02296	0.4
150.02655	0.4
150.07745	4.9
151.02827	0.6
152.06827	3.8
153.00702	1.2
158.06618	0.7
159.08400	3.9
163.06018	0.8
167.87508	0.4
175.07901	0.6
176.07727	0.5
177.09412	0.6
198.96704	0.9
216.98450	0.5
219.02087	0.8
229.13849	0.4
234.99672	0.5
235.91599	0.4
240.98625	3.8
251.12465	0.7
252.12389	1.0
258.99756	55.0
260.00021	1.7
264.12656	0.7
269.13483	0.6
277.00803	68.7
278.01022	2.3
281.13477	1.3
282.01355	0.6
282.07697	1.7
282.13770	1.4
295.01852	1.0
300.02295	1.0
300.08667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05516	4.0
56.05030	0.9
56.27227	0.6
57.03424	2.2
59.51394	0.7
67.05496	2.3
69.03426	1.4
69.31910	3.1
70.02939	1.3
71.01342	0.6
74.02428	1.6
77.03916	1.5
79.05489	28.1
79.05949	1.4
81.07054	1.4
84.04503	11.0
85.02923	0.8
85.04839	4.3
85.06472	0.6
88.03992	8.0
91.05476	10.3
92.05013	1.1
93.07038	67.3
94.07394	0.9
95.04965	3.7
95.08598	0.8
97.02839	0.8
98.97564	5.2
101.84099	0.6
105.04525	1.0
105.07020	6.5
107.08585	20.7
109.82169	0.6
116.03442	2.0
116.98607	3.0
119.08541	1.8
120.04462	23.0
120.45594	0.7
121.02898	0.9
121.04803	24.0
121.10136	100.0
122.10470	1.0
123.08070	1.4
123.11709	1.8
130.05005	2.4
131.05334	1.4
131.08531	1.5
133.07593	0.9
134.04510	6.2
134.99666	1.3
135.51834	0.7
149.09604	6.0
152.07024	3.8
152.14346	1.3
153.07387	7.4
163.71916	0.6
165.41103	0.6
187.05707	0.8
209.11734	0.9
218.11737	1.9
236.08044	0.7
236.12761	5.5
236.20161	1.1
254.17389	1.2
258.99780	3.5
264.12231	3.8
265.16190	0.7
277.00867	5.0
278.01013	0.8
282.04056	0.9
282.13364	10.8
282.16769	29.0
282.24420	1.3
283.17429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1487
Annotation	Bharatamine
Peak:m/z	Relative Intensity
50.65762	0.2
59.11543	0.3
62.89346	0.3
67.05490	0.8
69.71591	0.2
69.88671	0.8
77.03935	0.9
79.05487	20.1
81.07056	0.8
85.02847	0.4
91.05477	1.0
93.07043	2.2
95.04946	1.1
95.08596	1.1
98.97566	1.5
103.05461	57.8
104.05773	0.7
105.04520	0.5
105.07018	2.9
107.04945	28.2
107.08596	0.6
108.05271	0.6
115.03896	0.4
116.98644	0.5
117.07019	0.4
118.06510	2.5
119.07321	1.8
119.08613	0.4
121.06452	1.7
131.04918	22.3
132.08037	0.5
134.09644	52.6
135.09964	1.2
135.11607	0.4
149.05981	2.0
162.04762	0.3
172.44405	0.3
178.85498	0.3
227.12822	0.4
258.99854	0.4
260.78964	0.3
277.00699	0.7
282.14856	100.0
283.06012	0.6
283.15237	4.5
283.20465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52307	0.4
55.05512	5.3
56.96563	0.4
57.03426	0.4
57.07074	0.4
58.06603	8.5
64.51381	0.3
65.03944	0.5
67.05504	11.1
68.05805	0.4
69.03433	0.9
69.07070	4.2
69.09628	1.9
70.06595	0.7
71.04979	1.4
71.93761	0.3
72.08151	0.6
79.05494	4.2
80.04991	0.3
81.03390	0.5
81.07056	13.8
83.04976	0.6
83.08616	2.0
85.02885	0.7
85.06537	1.0
91.05460	1.9
93.07055	4.0
94.06596	0.5
95.04978	0.8
95.08022	0.7
95.08607	11.0
97.06506	0.4
98.09657	0.6
98.97585	4.8
99.08085	0.6
105.07040	1.4
107.04932	0.5
107.08583	3.5
108.08145	0.7
108.08907	0.7
109.06530	0.6
109.10148	3.0
111.08064	0.4
116.98602	3.6
117.07024	0.8
119.08563	1.2
121.06491	0.5
121.10127	2.2
122.06021	0.4
123.08044	1.0
123.11689	0.9
124.07597	1.3
126.09193	0.5
131.08536	1.1
133.10098	1.2
134.09668	0.5
134.99667	1.9
135.08025	0.8
135.11700	1.7
136.08405	0.6
145.10074	1.7
147.11696	0.7
149.09590	0.7
149.13249	1.0
157.10104	0.4
159.11607	0.6
218.15390	0.9
232.80235	0.3
246.14896	0.7
258.99768	2.8
264.15945	3.6
264.20514	0.4
264.23288	1.2
265.14059	0.9
265.19315	0.4
277.00818	4.0
282.17780	2.4
282.24271	100.0
283.11530	5.3
283.15143	4.1
283.20746	1.9
283.24481	3.9
300.02322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05514	13.6
56.96573	1.3
57.03442	2.7
62.99077	2.5
63.59318	0.6
65.03932	1.4
67.05508	100.0
68.05841	1.0
69.03415	0.9
69.07067	2.0
71.05001	1.7
71.43567	0.7
72.25959	0.5
73.02917	1.0
73.06557	0.6
74.99094	1.4
79.05488	0.8
81.07073	6.3
83.08597	0.9
84.08153	0.7
85.02901	1.1
85.06542	0.6
87.02682	1.4
89.00608	1.2
89.02401	0.8
89.06033	1.6
93.00114	2.8
93.07042	0.6
95.04995	0.9
97.10176	0.7
98.97586	6.4
99.97987	0.7
102.98564	1.2
103.00156	0.6
104.99331	1.0
105.03743	1.4
107.08610	1.9
109.10164	48.0
116.98602	3.8
118.11954	0.5
120.04449	0.7
120.99588	11.5
121.00396	1.2
121.02881	8.4
127.03887	1.0
127.10384	0.7
127.11258	1.7
133.08612	1.6
134.99684	1.8
136.07584	1.3
138.05508	0.8
147.04759	1.9
152.03221	0.7
159.08369	0.9
175.04298	1.1
193.05321	15.0
195.03235	3.2
247.10039	7.9
253.47609	0.6
259.99979	2.1
260.62836	0.8
261.03238	1.2
264.83768	0.6
265.11057	33.7
278.01135	2.1
283.12122	9.5
283.17072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80530	0.5
55.01878	0.7
55.05507	5.1
56.96563	2.3
57.03429	1.9
59.04990	1.5
65.03939	2.2
67.05502	100.0
68.05831	1.6
69.03422	1.0
69.07075	3.7
69.94272	1.6
70.06598	0.7
71.04987	3.1
79.05493	1.3
81.07053	11.8
83.08617	0.8
85.02896	1.1
85.06551	2.1
88.67794	0.5
89.06031	0.9
89.19086	0.6
97.10175	0.9
98.22741	1.1
98.97575	7.0
99.08076	1.5
103.07606	1.3
104.07922	1.0
107.08615	1.9
109.10150	44.5
110.10486	0.6
116.98647	4.3
120.04479	2.6
120.99569	3.2
121.02850	4.4
124.07576	0.7
125.09641	0.7
127.11194	3.4
134.99667	3.2
136.06168	9.6
137.04704	1.2
137.06641	5.4
138.05534	0.8
156.27023	0.6
159.08371	3.4
180.99979	0.6
220.10327	0.8
247.07513	0.4
247.09966	14.0
259.99957	2.8
260.09766	1.8
260.99606	1.6
261.03091	1.8
265.11032	40.2
266.11411	1.4
278.00995	5.3
279.00714	1.4
283.12173	10.2
284.11032	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.4
65.23870	0.3
65.92605	0.3
67.05503	0.8
69.15141	0.7
69.15544	1.6
74.93682	0.4
77.81497	0.4
79.05513	0.4
81.07047	0.9
89.06072	0.4
91.05470	0.6
92.31976	0.3
93.07050	0.8
95.08570	0.6
98.22719	0.9
107.08613	0.7
119.08573	0.5
121.02957	0.4
127.03877	0.5
129.06990	0.4
133.10054	0.4
134.09584	0.4
135.10019	0.4
140.18317	0.4
145.04953	0.4
167.26958	0.4
207.64931	0.3
233.11470	2.3
251.12555	1.1
265.14154	2.2
269.12326	1.1
283.15173	100.0
284.15509	3.0
284.21967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74096	0.6
62.15712	0.8
64.51447	0.7
67.05499	0.8
70.16363	1.6
72.08212	0.7
79.05480	1.1
81.07046	0.8
84.83075	0.6
93.07062	0.9
98.22802	0.6
99.17469	0.6
104.94810	0.6
105.07023	0.7
154.46657	0.6
163.11211	1.4
164.19493	0.6
227.12816	1.9
233.11533	3.5
243.08102	0.6
247.11421	0.7
247.68837	0.6
265.14059	1.3
283.15167	100.0
284.15472	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82572	0.1
56.96471	1.1
56.96777	0.3
59.75354	0.1
61.02829	0.6
62.19744	0.1
69.03364	0.2
69.06979	0.4
70.06486	0.7
70.81870	0.3
74.63319	0.1
76.39513	0.1
82.99783	0.3
84.08052	0.2
85.02790	0.8
86.09604	0.6
87.04353	1.4
95.05956	0.6
96.06758	1.1
97.02824	0.3
97.06427	0.2
97.07552	0.5
98.97580	5.6
98.98154	0.3
99.97858	0.2
100.97061	0.2
100.97809	0.1
101.00874	2.3
105.05499	2.1
109.07643	1.5
110.08343	0.2
111.09074	0.1
115.34264	0.2
116.98624	2.8
119.01923	5.1
123.09119	0.3
124.07492	0.2
126.10147	0.7
134.99701	1.0
136.06136	0.2
137.02962	0.8
140.98747	0.6
145.04895	0.2
150.07617	0.2
152.05586	0.6
154.99998	0.2
158.99879	1.4
165.99638	0.3
170.09128	0.5
171.07614	0.3
177.00948	11.6
178.01080	0.7
182.99799	0.7
189.03644	0.3
189.86696	0.2
201.00923	2.3
210.13638	1.5
217.04095	2.6
218.04124	0.2
219.01999	18.5
220.02092	1.3
225.00899	2.2
225.03008	0.3
226.01149	0.2
227.55981	0.2
233.03445	0.4
236.00142	0.3
240.17026	0.6
241.99094	0.2
242.03308	0.3
243.01993	10.2
244.02100	1.0
245.52858	0.1
260.00061	0.6
260.04486	0.3
261.03049	100.0
262.03186	7.3
263.03546	0.4
266.03693	0.4
275.04547	0.2
278.01175	0.4
279.00616	3.1
284.00116	1.5
284.04611	2.9
284.07455	0.3
284.10880	0.5
284.16061	5.7
284.99847	0.6
285.05063	0.2
285.14365	0.5
302.01126	1.7
302.06119	0.2
303.00885	0.6
303.03922	0.2
303.18112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1281
Annotation	N-Phenylacetylphenylalanine
Peak:m/z	Relative Intensity
50.67782	0.1
58.06603	0.2
64.52029	0.2
68.39288	0.2
70.06599	0.2
70.61785	0.2
79.05473	0.2
80.92852	0.1
84.04502	0.2
91.05473	0.6
95.04955	0.2
98.97579	0.4
103.05464	0.3
107.04249	0.3
107.04948	4.0
116.98598	0.3
119.04918	0.3
120.04494	0.3
123.04423	0.4
131.04922	1.0
133.06488	0.2
134.05992	0.4
136.07559	0.2
137.05981	0.7
145.00687	0.2
145.06512	0.2
146.06012	0.2
147.04373	0.6
149.05949	0.4
160.05118	0.2
160.07536	0.9
162.05467	0.4
162.09105	0.2
167.08484	0.5
176.07056	3.4
176.08595	0.2
177.07889	2.3
178.08653	1.5
179.08588	0.4
181.06422	0.4
183.08072	0.2
189.07071	0.2
190.08641	0.3
191.09247	0.2
195.08037	1.5
203.04953	0.2
203.17970	0.1
207.08029	1.5
217.06448	0.2
223.07452	1.0
235.07507	0.6
236.62445	0.2
238.12294	0.2
241.08521	0.4
250.08597	0.3
253.08482	0.2
254.08122	1.6
268.09766	1.7
269.10464	2.7
282.11053	0.2
284.12787	100.0
285.13123	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Amabiline
Peak:m/z	Relative Intensity
53.03949	1.0
56.86324	0.4
62.33283	0.4
67.05492	0.9
68.05001	0.5
70.06592	14.7
70.71584	0.9
71.08613	0.4
73.06548	1.0
79.05509	0.6
80.05002	4.5
81.05809	0.7
81.07069	1.0
82.06586	0.5
82.91631	0.4
83.58811	0.4
85.02899	0.4
86.09673	0.5
86.23366	0.4
90.06374	0.5
93.07051	0.5
94.06565	8.9
95.08600	0.5
98.97571	1.1
105.07032	1.0
107.07333	1.5
109.08894	0.8
110.09678	8.6
116.98621	1.1
120.08096	3.2
122.09664	79.6
123.10477	12.6
140.10695	52.6
141.11073	0.9
176.61989	0.4
194.15413	1.6
211.49208	0.5
240.16022	0.9
261.03116	0.6
279.00443	0.5
284.18552	100.0
285.18921	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88361	0.3
53.03930	0.9
55.01872	0.6
55.05268	0.4
55.05510	5.3
56.05032	0.7
57.03426	0.7
57.07050	0.7
58.06342	0.5
58.06599	6.8
63.00805	0.3
64.13646	0.3
67.05500	12.1
69.03412	0.8
69.06763	0.4
69.07062	3.9
69.20808	1.9
70.06573	0.8
71.04968	1.3
72.08128	1.0
79.05052	0.5
79.05489	8.4
81.03417	7.3
81.07053	10.7
82.06561	0.9
82.07362	0.6
83.04964	0.7
83.08615	2.4
84.08116	1.4
85.02893	1.3
85.06529	1.1
86.09708	0.4
91.04950	0.4
91.05479	5.7
93.07040	11.1
94.07366	0.3
95.04974	2.5
95.08604	12.4
96.08095	0.8
97.06508	0.5
98.09687	3.6
98.97567	0.7
99.08083	0.4
105.07033	3.8
107.04935	0.9
107.08586	4.2
107.58920	0.3
108.08131	0.5
109.10131	2.7
111.08065	0.7
112.11239	0.5
119.08574	4.1
121.02824	0.4
121.06472	0.8
121.10131	3.6
122.03175	0.3
123.11673	0.6
124.11215	3.0
127.03883	0.4
129.06946	0.7
131.08554	0.8
133.10117	2.0
135.11705	2.0
138.02994	0.3
147.07965	0.4
147.11656	1.4
149.13226	1.0
150.12746	0.4
151.07523	0.4
152.14278	0.7
153.86595	0.3
157.10117	0.7
161.13219	0.7
165.01799	1.2
166.02121	0.7
172.30186	0.3
175.11168	1.1
175.14883	0.5
178.15959	0.5
192.17435	0.5
193.12262	3.5
206.19011	1.1
213.25912	0.3
214.06137	0.3
222.22101	0.4
229.04903	0.3
229.91393	0.3
240.15932	1.4
248.23715	10.5
249.24089	0.3
253.08511	0.6
255.06369	0.4
266.24777	100.0
267.15973	1.4
267.25131	4.8
269.48810	0.3
283.06058	1.2
284.06552	5.8
284.12875	4.2
284.15631	0.6
284.18576	1.8
284.25827	22.4
285.03961	0.4
285.07150	0.6
285.13425	1.7
285.26132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3314
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
55.05508	0.7
56.26527	0.4
57.07080	6.7
58.06610	1.6
60.08167	20.9
67.05496	0.6
69.07075	1.0
79.90155	0.3
81.07057	0.7
85.10181	1.5
88.07613	0.5
89.06071	0.4
91.05476	0.4
93.07022	0.7
95.08598	0.8
98.97593	0.8
109.10089	0.6
116.98634	0.6
120.96653	0.5
134.99576	0.4
159.11649	0.4
177.37213	0.4
264.96140	0.4
279.00656	0.5
284.33121	100.0
285.24295	1.9
285.33420	4.5
294.03787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.05481	0.1
63.71349	0.1
67.05492	0.4
69.07066	0.2
69.68551	0.4
76.82233	0.2
79.05496	0.3
80.55379	0.1
81.03391	0.4
81.07030	0.5
83.08629	0.2
91.05512	0.2
93.07017	0.3
95.08622	0.3
98.22742	0.3
105.07026	0.4
107.08583	0.4
109.10108	0.2
117.06995	0.2
119.08557	0.5
121.10068	0.2
131.08549	0.4
131.69302	0.1
133.06470	1.7
133.10150	0.2
135.04419	0.3
143.08568	0.2
145.10101	0.4
147.11653	0.4
153.01776	1.8
157.10100	0.3
159.04440	0.2
159.11737	0.3
161.13168	0.2
171.02885	0.2
171.11713	0.2
173.13306	0.2
175.14761	0.2
177.05475	0.3
183.11644	0.2
193.12221	0.2
227.17944	0.2
238.69482	0.2
240.23428	0.2
242.05719	32.0
243.06049	1.3
267.21121	0.6
270.05209	15.9
271.05527	0.7
285.07541	100.0
285.21863	1.3
286.07907	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
57.03429	8.1
63.37434	1.7
65.03947	2.7
67.05501	4.9
69.07049	2.3
70.06594	4.8
75.04476	3.5
79.05511	9.8
81.03413	25.6
81.07061	5.7
83.08607	7.1
91.05482	19.9
93.07039	5.6
94.05534	1.7
95.04954	11.9
100.11244	4.7
103.05453	3.7
105.03374	4.4
105.07034	23.6
106.04211	4.1
107.04951	22.5
107.08585	2.0
109.06509	8.0
109.10158	1.6
111.04436	2.4
115.05463	5.6
118.04173	4.3
119.04942	22.9
119.08569	3.7
121.06499	13.6
123.04433	2.5
123.08074	3.4
125.05992	2.0
125.60217	2.0
129.07018	2.1
131.04996	2.6
133.06509	18.0
134.03632	3.4
135.04434	8.5
135.51208	2.0
136.05173	6.9
137.05984	5.7
140.04660	11.4
142.66699	1.7
146.03668	1.9
147.04424	7.8
147.11638	2.9
149.05989	18.6
151.07532	16.5
151.11430	1.7
153.05460	100.0
157.10100	2.5
161.05980	38.0
165.05550	3.6
165.07004	4.5
167.07036	20.3
168.07819	84.9
169.08151	2.2
175.11084	2.6
177.05605	1.9
179.07004	9.4
181.08652	3.8
182.09558	2.1
193.06691	3.7
193.08586	48.9
193.12201	12.9
196.07309	78.9
205.81441	2.0
209.08112	10.6
210.06688	2.1
211.09642	75.9
212.09990	2.7
213.00563	1.7
221.06003	3.9
225.09129	7.7
253.08647	10.7
267.15924	2.3
269.11627	2.1
285.07806	1.8
285.10825	10.8
285.18158	6.7
285.24228	2.1
286.19919	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1599
Annotation	Mersicarpine
Peak:m/z	Relative Intensity
50.29929	0.6
60.08147	1.8
66.37888	0.6
67.05508	0.6
69.97879	0.6
71.08607	0.7
79.14375	0.7
91.05485	0.6
94.63731	0.7
95.08611	0.8
120.96603	1.0
183.86234	0.7
184.09930	1.2
196.09966	2.0
199.12309	1.0
199.53302	0.6
204.74065	0.7
209.10727	1.3
209.89426	0.7
210.11514	1.9
212.09439	5.5
225.13887	3.7
227.11792	30.4
228.12190	0.7
238.05829	1.5
240.08942	4.4
242.14183	1.0
243.73033	0.8
253.08528	0.8
253.13556	0.9
255.11292	100.0
256.11661	3.5
257.16479	1.9
270.13614	2.8
284.33127	4.9
285.15982	53.6
285.33456	2.7
286.16315	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36833	0.4
53.03952	3.1
53.11750	0.5
55.01871	2.2
55.05511	7.2
57.03439	5.5
61.79144	0.4
65.03951	0.7
65.14536	0.4
66.38380	0.4
66.93181	0.4
67.05502	12.3
69.03430	2.4
69.07074	3.0
69.42578	1.0
69.42976	1.5
71.04990	2.0
73.07150	0.4
79.05491	13.1
81.03417	100.0
81.07055	12.6
82.03749	1.6
83.04978	5.0
83.08617	20.0
85.02900	2.7
85.06570	0.8
91.05481	14.0
93.07048	8.5
95.04967	26.1
95.08610	6.2
97.02906	2.7
97.06546	1.4
97.10160	1.6
99.08050	0.6
105.04531	0.6
105.07027	13.2
106.07369	0.6
107.04959	5.5
107.08580	4.3
108.08962	0.5
109.06531	2.8
109.10165	2.2
111.04440	1.7
111.08076	10.0
115.05483	0.9
117.07014	1.4
119.04980	0.5
119.08582	11.1
121.06499	1.8
121.10121	5.1
123.08063	1.5
123.11710	1.5
125.06031	0.5
125.09633	0.9
129.07001	8.5
131.08556	7.8
133.06480	3.3
133.10143	4.3
135.08044	0.6
135.11688	0.8
137.09590	0.8
141.06990	0.5
142.07785	1.9
143.08543	0.9
145.10081	2.8
147.08046	3.4
147.11688	8.7
149.09579	4.4
149.13284	0.6
155.08565	0.7
157.10126	10.2
158.10432	0.5
159.11699	1.7
161.13277	0.7
163.11186	0.5
165.12718	2.2
166.12941	0.5
169.10152	1.0
171.11708	1.3
173.13260	1.3
175.11179	11.5
183.11687	1.0
185.13229	0.9
187.14827	0.9
193.12239	53.3
194.12582	1.8
195.10016	1.8
199.14836	0.6
211.13216	5.2
211.14861	0.9
215.14436	0.5
225.16400	0.5
227.17899	1.8
239.14627	0.5
253.08611	1.3
267.15906	13.8
267.21091	2.0
268.16296	0.5
280.84250	0.5
285.12164	0.5
285.17175	3.5
285.22092	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
54.92793	0.6
55.01881	2.4
55.05508	6.3
57.03442	5.3
65.03956	0.7
67.05505	14.5
69.03436	2.2
69.07065	3.2
70.06594	0.6
71.05000	2.1
79.05491	13.3
80.05828	0.5
81.03414	100.0
81.07053	12.5
81.07516	0.4
81.57587	0.6
82.03750	1.4
83.04982	4.1
83.08614	21.3
85.02898	3.5
85.06535	1.0
86.50542	0.7
91.05473	14.4
93.07040	9.5
95.04964	26.5
95.08593	4.0
97.02882	2.0
97.06503	1.4
97.10152	1.8
99.51560	0.6
103.03972	0.6
105.07027	12.8
107.04950	6.0
107.08598	5.0
109.06492	3.1
109.10136	2.5
111.04427	1.9
111.08076	10.0
113.06015	0.7
115.05416	1.5
117.06956	1.0
119.04909	0.6
119.08580	12.0
121.06504	1.6
121.10136	8.0
123.04416	0.7
123.08029	2.3
123.11715	0.9
125.09583	0.6
128.96432	0.6
129.07005	9.2
131.08556	9.8
133.06505	2.9
133.10114	7.2
135.08063	0.6
137.05914	1.7
137.09590	0.8
142.07750	2.2
143.08524	0.6
145.10074	1.8
146.03592	2.0
147.08072	3.2
147.10600	0.9
147.11690	12.6
149.09587	8.4
153.07002	0.8
155.08583	0.6
157.10129	11.4
161.05959	6.7
163.11290	0.6
165.01820	0.8
165.07001	7.1
165.12666	2.1
166.13210	0.8
175.11185	18.3
181.06377	0.7
182.07298	2.8
183.02779	0.9
193.06474	6.1
193.12234	55.4
194.07181	1.2
194.12439	1.5
197.09561	0.8
199.14766	0.8
206.08917	0.6
210.05057	0.7
210.06752	7.1
211.07275	0.8
211.13203	6.1
221.05963	6.6
225.06924	1.0
225.09088	18.5
226.09186	0.9
227.06924	0.7
227.17950	0.7
238.06111	2.4
239.06853	1.2
249.14742	0.7
253.08571	29.8
254.08923	2.1
267.15894	16.4
267.20621	0.9
267.24942	0.7
268.15875	0.9
269.30518	0.6
270.08749	1.6
285.03864	1.6
285.07785	1.2
285.11023	24.9
285.16757	2.8
285.21805	3.7
285.25870	2.2
286.11380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40765	0.7
53.03942	2.4
55.01881	2.8
55.05512	6.9
55.73712	0.6
57.03438	6.6
65.03929	0.8
66.92891	0.6
67.05505	12.6
69.03423	2.2
69.07063	2.3
69.62578	0.8
69.62918	1.9
70.06612	0.6
71.04980	2.3
79.05490	14.1
81.03416	100.0
81.07053	12.3
81.84827	0.6
82.03761	1.1
83.04981	4.7
83.08619	20.3
85.02901	2.7
85.06515	1.0
91.05476	16.5
93.07037	9.6
95.04964	28.0
95.08618	4.0
97.02895	2.0
97.06526	1.9
97.10171	1.5
99.08078	0.6
103.03950	0.9
105.07023	13.0
107.04956	6.8
107.08614	3.6
109.06531	2.0
109.10144	1.5
111.04465	1.7
111.08076	11.5
113.19074	0.6
115.05438	1.9
117.07043	1.9
119.04974	0.6
119.08586	11.5
121.06500	1.3
121.10126	5.9
123.08051	2.0
129.07005	9.5
131.08568	8.4
133.06445	2.8
133.10115	6.5
135.08086	0.7
137.09639	1.4
142.07796	2.3
143.08562	0.8
145.10149	2.1
146.03644	2.2
147.08066	2.8
147.11681	9.5
147.19145	0.6
149.09610	8.3
151.11279	0.8
155.08493	0.6
157.10115	11.7
161.05957	5.3
163.11206	0.8
165.06985	6.5
165.12761	1.9
173.09541	0.8
175.11168	14.4
182.07292	2.6
187.14862	0.6
193.06488	5.6
193.12231	49.8
194.07268	0.6
194.12592	1.0
199.14969	0.7
210.06786	6.1
211.07507	0.7
211.13226	5.0
221.06026	7.3
223.13281	0.7
224.08159	0.6
225.09099	15.2
226.09508	0.8
238.06287	2.2
239.06863	1.1
253.08575	21.4
254.09344	2.1
267.09866	0.7
267.15900	16.9
270.08841	1.5
285.04269	1.4
285.11075	19.7
285.16974	2.9
285.21558	3.0
286.11731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01867	2.0
55.05513	6.4
57.03438	5.0
58.08566	0.4
65.03942	1.0
66.58928	0.5
67.05157	1.0
67.05503	14.1
67.05864	0.9
69.03436	2.3
69.07064	2.9
71.04991	1.9
71.22571	0.8
79.05495	12.6
81.03415	100.0
81.07050	16.9
82.03751	0.7
83.04978	5.3
83.08118	1.1
83.08617	22.5
85.02908	3.4
85.06543	0.8
87.69225	0.5
91.05477	17.5
91.41155	0.7
93.07038	8.0
95.04964	24.7
95.08607	6.1
97.02894	2.8
97.06555	1.4
97.10184	1.7
98.42654	0.4
103.05412	0.5
105.07020	11.5
107.04956	6.2
107.08589	6.1
109.06499	3.4
109.10159	2.9
109.43993	0.6
109.79089	0.6
111.04436	1.6
111.08085	10.5
115.05456	1.4
117.07016	2.1
119.08588	10.0
120.08904	0.6
121.06485	1.7
121.10147	5.7
123.08085	1.4
123.11757	1.2
125.09646	1.1
128.06213	0.7
129.06993	7.4
131.08566	8.4
133.06488	3.5
133.10136	5.1
135.08064	0.7
135.11688	1.0
137.06006	0.5
137.09607	1.2
140.88849	0.5
142.07771	2.8
143.08563	1.6
145.10121	3.6
147.08022	2.7
147.11697	7.3
149.09586	4.0
149.13295	0.6
151.11192	0.8
155.08531	1.0
157.10120	11.5
159.11711	2.6
161.13272	1.4
163.11255	0.5
165.06985	0.8
165.12750	1.1
169.10165	1.2
171.11668	2.3
173.13260	1.6
175.11188	13.7
175.12648	1.0
176.11575	0.7
181.09987	0.6
183.11794	1.2
185.13341	1.4
187.14810	1.1
189.16347	0.7
193.12238	51.8
194.12604	1.8
195.09885	0.8
197.13333	1.5
199.14867	0.8
201.12712	0.5
201.16415	0.8
211.13297	5.1
211.14905	1.2
213.16415	0.6
221.06017	0.8
225.09148	0.9
225.16338	0.6
227.17982	2.2
247.71469	0.5
253.08635	2.2
257.22528	0.6
267.15924	14.7
267.20889	4.5
268.16327	0.5
285.07935	0.9
285.11285	1.8
285.17139	2.6
285.22067	11.8
285.25739	1.0
285.26288	0.9
286.22549	0.6
305.24744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.206
Annotation	Secoisolancifolide
Peak:m/z	Relative Intensity
55.01874	2.6
55.05515	10.6
56.70150	1.8
57.03428	5.5
57.07078	3.8
67.05509	17.8
69.07072	14.7
72.37513	1.9
79.05481	9.6
81.07050	27.2
83.04974	2.2
83.08618	17.3
85.06538	5.7
91.05489	6.5
93.07040	14.9
95.08604	27.2
97.06533	7.0
97.10168	5.4
99.04447	49.6
105.07029	2.6
107.08617	10.6
109.06527	6.4
109.10149	13.9
111.08106	6.3
111.11816	2.1
117.07014	2.2
119.08583	4.4
120.96630	3.2
121.10161	7.7
121.59045	1.9
123.11715	4.6
131.08543	4.4
133.10152	6.2
135.11740	2.5
136.00597	2.0
145.10143	2.9
147.11633	2.9
149.13266	8.3
157.10155	3.0
159.11714	4.4
161.13246	1.9
167.14265	3.5
189.16389	5.2
195.13824	6.2
207.17444	4.6
211.16902	3.3
225.18481	100.0
226.18797	4.2
229.17993	2.2
230.24841	2.8
231.15863	6.6
243.19531	33.6
249.18491	30.7
257.76654	1.7
267.19482	22.2
274.82779	1.8
285.19116	2.6
285.22275	7.1
285.25620	1.8
285.33383	8.9
286.31152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.53044	9.3
51.56333	8.2
53.46735	8.2
55.05496	21.1
57.07086	10.1
58.34507	8.8
58.61970	9.1
67.05502	37.0
69.07054	67.4
69.31026	49.0
77.84410	14.7
79.05504	24.0
81.07053	47.6
81.71442	9.5
83.08588	13.9
91.05461	21.4
93.07059	38.7
95.04952	18.7
95.08603	39.1
97.06527	25.6
105.07025	87.5
107.08620	45.9
109.06517	32.8
109.10171	32.5
110.10564	10.1
111.08073	8.7
119.08579	100.0
121.06514	13.4
121.10150	39.4
121.90488	9.1
123.11716	26.3
123.49821	9.1
131.08549	12.3
133.10146	57.0
135.11720	10.8
145.10158	20.1
146.07301	12.0
147.11630	26.3
157.10147	12.2
159.11681	19.5
161.09625	99.2
164.07526	8.5
175.14807	53.0
193.15843	10.1
205.45363	9.5
211.14824	18.6
285.22198	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05504	5.0
58.49486	1.1
60.28317	1.2
65.69033	1.1
67.05506	12.2
69.07076	6.9
69.65100	4.6
71.04976	2.1
79.05489	12.0
81.03410	2.1
81.07053	27.7
83.04939	1.8
83.08604	2.3
85.06530	2.6
91.05479	12.3
93.07040	21.7
95.04942	4.1
95.08030	1.6
95.08605	22.2
97.06521	3.7
97.10168	1.5
105.07021	23.6
107.08583	19.9
109.06497	2.8
109.10171	12.0
111.08118	1.4
117.07001	4.9
119.08564	16.9
121.06519	2.5
121.10142	13.4
123.08057	2.9
123.11687	4.5
124.73907	1.3
128.06177	1.7
129.06984	4.5
130.07765	1.4
131.08548	17.9
133.10135	13.3
134.32602	1.2
135.08041	1.5
135.11649	8.3
141.06970	4.1
142.07773	2.1
143.08542	10.5
145.10133	17.6
147.11658	13.0
149.09631	1.8
149.13226	5.3
155.08588	7.1
157.10112	14.1
159.11688	18.6
161.09572	2.5
161.13272	6.0
163.11169	3.3
163.14819	3.1
169.10101	9.0
170.10602	1.2
171.11673	11.6
173.09676	1.3
173.13245	10.5
175.11148	3.1
175.14818	5.4
177.12819	1.6
182.11026	1.5
183.11690	8.2
185.13229	9.8
187.14856	5.0
189.12749	2.1
189.16365	2.3
191.14404	2.1
197.13243	10.0
199.14746	6.3
201.12814	1.7
201.16422	5.0
209.13252	1.5
211.14754	10.3
212.15379	1.9
213.16376	4.4
215.14291	1.8
215.17924	2.0
225.16406	9.0
227.17928	7.4
229.15900	4.1
239.17961	3.8
240.23230	5.3
241.19408	2.6
242.05762	3.9
257.22546	3.7
267.21088	35.4
270.05310	1.8
285.07599	15.3
285.10538	2.4
285.22092	100.0
286.22388	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.05515	71.2
57.03437	5.1
57.07079	15.7
67.05507	63.0
69.03386	2.1
69.07075	100.0
69.62402	2.3
71.04996	8.5
71.08632	4.8
71.23132	2.2
79.05507	28.5
81.07063	94.5
83.05011	5.3
83.08624	58.6
85.06569	10.8
85.10222	2.1
87.04441	2.5
91.05489	22.8
93.07049	39.3
93.07601	3.1
95.04971	4.6
95.08614	99.0
97.06538	17.9
97.10175	56.2
98.97613	2.3
99.04474	5.2
99.08099	13.1
105.07041	25.2
107.08594	31.8
109.06555	4.6
109.10159	44.9
111.08080	11.7
111.11743	26.6
113.06008	2.6
113.09638	4.4
117.07040	4.0
119.08580	23.7
121.10152	47.5
123.08083	5.4
123.11718	19.5
125.09642	8.6
125.13298	7.0
129.07053	2.4
129.09143	2.5
131.08591	4.1
133.10136	30.1
135.10744	4.9
135.11703	41.5
137.09625	8.4
137.13235	11.8
139.11211	12.4
143.10701	3.0
145.10161	4.4
147.11690	24.6
149.13272	14.2
151.11227	6.1
151.14845	12.2
153.12787	8.9
155.08577	3.5
155.10681	4.2
159.11728	3.6
161.13266	22.9
165.12772	9.0
171.11664	3.0
175.14857	10.1
177.16463	4.0
179.14386	9.8
191.17973	2.5
193.15923	5.1
193.19537	3.7
217.19534	55.4
223.20621	2.4
225.18523	6.9
227.18047	3.7
235.20599	39.5
240.23216	3.0
243.19667	4.0
249.18460	4.0
253.21655	9.9
285.07657	9.3
285.18719	5.1
285.22034	6.6
285.24600	5.2
286.27512	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1437
Annotation	N-Methylhigenamine
Peak:m/z	Relative Intensity
55.01874	0.3
55.05508	0.4
58.06592	0.9
67.05499	1.0
70.02962	0.6
70.06592	6.0
70.75603	0.4
70.75938	0.4
72.08146	0.3
77.03935	0.6
79.05493	0.6
81.07056	0.7
84.08135	0.4
85.02860	0.3
86.09705	1.2
87.05597	0.5
91.05478	2.1
93.07036	0.9
95.04968	1.5
95.08596	0.4
96.04457	0.3
97.06468	0.3
103.05455	0.5
105.04488	0.4
105.07018	0.6
107.04945	71.5
108.04539	0.6
108.05283	1.5
109.10155	1.0
111.07991	0.4
115.05437	3.4
116.07091	1.9
117.06995	1.4
119.04949	1.7
121.06500	5.3
122.06010	0.5
123.04408	8.3
127.08677	1.7
131.04938	1.4
133.06450	2.5
135.04430	0.8
135.08041	0.3
136.11200	0.7
137.05980	1.2
137.09593	1.0
139.07513	0.5
140.94475	0.3
143.04904	7.6
143.11757	0.9
145.06476	5.9
147.08015	0.4
149.05991	2.2
150.09103	0.4
154.12245	0.5
155.06071	0.5
155.08144	1.4
161.05968	14.7
162.06384	0.5
163.07538	0.8
164.10773	0.5
166.08611	0.7
166.12347	0.4
167.07051	0.4
172.13327	0.9
178.08611	1.9
178.12215	0.4
179.08484	0.7
180.10231	0.4
180.13834	1.1
182.07216	0.5
182.11734	0.4
188.10638	0.4
191.08548	1.1
194.07257	1.2
195.06546	1.4
197.09541	1.6
206.11693	2.2
209.09578	2.4
210.11345	0.5
219.08015	0.6
222.06659	0.5
224.12820	2.0
225.09132	0.7
226.06160	0.4
237.09071	3.6
240.07802	1.0
240.15779	0.4
241.15436	0.7
242.13879	0.7
243.10097	2.5
255.10143	14.3
256.10455	0.6
257.11652	0.8
286.14343	100.0
287.15289	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1437
Annotation	N-Methylhigenamine
Peak:m/z	Relative Intensity
58.06585	0.9
58.49485	0.3
69.50537	1.6
70.06589	1.7
77.03914	0.5
79.05481	0.8
86.09714	1.1
90.50896	0.4
91.05478	2.0
93.07037	0.5
95.04953	1.6
98.23422	0.5
103.05474	0.6
105.04498	0.6
105.07008	1.0
107.04946	86.0
108.05296	1.5
109.02902	0.4
115.05453	4.8
116.07069	3.1
117.07018	1.6
119.04939	2.5
121.06496	5.8
123.04418	10.1
123.05276	0.7
124.11227	1.1
131.04921	1.1
133.06517	2.5
135.04407	0.8
137.05971	1.6
142.12277	3.6
143.04904	9.3
143.11755	0.7
143.86287	0.3
145.06482	7.7
145.07561	0.6
146.07185	0.3
147.04451	0.4
147.07985	0.5
148.05238	0.4
149.05981	2.1
155.06041	0.6
161.05971	18.0
162.06367	0.5
163.07516	0.8
166.08690	0.5
178.08682	2.2
179.08650	0.5
181.06404	0.5
181.10086	0.5
182.07315	0.6
191.08580	0.9
194.07260	1.1
195.08018	0.4
197.09631	1.4
207.07976	0.4
209.09624	2.7
219.08054	0.4
225.09149	0.6
226.06172	0.7
237.09074	2.8
240.00847	0.4
240.07806	0.8
243.10170	2.6
255.10139	16.9
256.10452	1.0
257.11761	0.8
286.14346	100.0
286.20026	6.6
287.05536	0.5
287.14624	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1437
Annotation	(R,S)-Coclaurine
Peak:m/z	Relative Intensity
55.01871	0.5
55.05493	0.4
57.03418	0.4
67.05496	0.4
69.03428	0.3
69.94540	0.7
69.94902	0.7
77.03938	0.4
79.05491	1.6
81.03412	2.3
81.07043	0.9
82.03748	1.1
83.04974	0.8
84.08955	0.4
85.02876	0.5
91.05471	1.9
93.07040	0.9
95.04948	1.6
96.05350	0.5
96.70954	0.3
103.05475	1.1
105.06997	0.5
107.04954	100.0
108.05287	1.9
109.10068	0.4
112.08456	0.3
115.05461	9.1
117.07022	1.5
119.04939	1.0
121.02863	2.8
121.06504	3.6
131.04938	1.4
133.06369	0.3
137.05980	8.1
143.04919	13.9
143.06044	0.7
144.05710	0.3
145.06487	7.3
151.07541	0.8
153.01807	1.3
155.05992	0.7
157.06459	0.5
160.05188	1.2
161.05914	0.5
163.06322	0.4
163.07562	1.4
165.01811	0.4
165.06964	0.6
166.07747	0.6
175.07553	7.0
178.08633	4.9
180.45592	0.3
181.06531	0.9
181.10097	0.6
183.08136	0.7
190.07741	0.8
191.08556	2.6
194.07262	3.0
194.12634	1.3
195.08051	0.5
209.09616	7.3
210.10039	0.4
213.05421	0.5
219.08080	1.5
237.09084	7.8
238.09624	0.9
239.07008	1.3
250.14473	0.6
251.10753	0.9
254.09323	1.1
268.15741	1.1
268.25555	0.6
269.11716	27.8
270.12119	1.1
286.14377	68.8
287.02310	0.8
287.05505	12.9
287.14670	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59492	0.5
55.05386	0.7
55.05613	0.8
56.05149	0.6
57.03509	0.5
59.05107	0.8
60.95940	0.6
61.03055	1.5
64.70533	0.4
68.35531	0.6
70.06292	4.7
70.06726	20.0
70.79352	0.5
71.05122	1.6
72.08266	1.0
79.05588	1.1
81.06675	0.7
81.07195	4.8
82.05420	1.0
83.06247	3.9
86.09832	0.6
93.04679	2.4
95.06242	6.7
98.52785	0.5
98.97720	1.9
101.00986	1.1
102.97029	3.7
107.05104	4.1
107.06194	0.9
110.06093	1.4
110.07318	43.3
111.05679	0.8
111.07618	0.6
112.06905	1.8
112.07759	22.4
112.08853	1.2
116.07179	1.1
116.98778	1.5
119.02071	3.4
120.02088	0.8
120.97898	2.7
121.01812	1.7
121.07733	1.0
123.04491	0.7
124.04046	0.9
124.07729	0.7
134.95538	0.5
136.18913	0.4
136.99805	0.6
137.03081	1.1
138.99026	1.1
140.05417	0.6
140.07060	15.6
143.05051	0.8
145.03722	0.5
156.03438	1.1
156.07680	7.5
157.09871	1.6
158.06729	0.9
160.99745	0.7
161.02977	0.5
161.06049	1.0
163.12297	25.3
166.06305	0.9
169.03427	0.5
170.06799	0.5
177.01067	0.6
178.01181	1.7
179.00706	11.5
180.00909	0.5
186.04385	1.0
187.10876	0.9
188.07730	0.9
190.13411	5.4
190.95502	0.6
193.13565	0.7
199.33565	0.5
202.84317	0.5
203.00821	1.3
204.05547	0.8
208.14447	6.0
208.16051	0.6
218.06743	0.6
219.02014	1.9
219.03963	2.3
219.11343	0.9
220.02164	1.8
221.01791	16.2
222.01884	0.5
227.00612	2.5
236.13974	4.6
240.17052	3.8
242.08537	0.6
244.98088	1.1
244.99152	0.7
245.01764	9.3
246.02180	0.5
254.14980	10.9
255.10147	1.0
260.10004	0.7
261.02972	0.9
262.03198	5.2
263.02853	100.0
264.03058	6.9
280.00653	0.5
281.00134	2.8
285.99948	0.7
286.04211	2.6
286.14291	8.0
286.17535	45.5
287.11026	13.9
287.17831	1.7
304.01193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2013
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
53.72728	0.1
55.05503	1.4
62.86555	0.2
68.05018	0.4
69.57820	0.4
69.58172	0.4
70.06586	2.9
73.06557	1.8
79.05478	0.3
81.07035	0.6
82.06576	1.4
83.07359	0.3
84.08142	2.3
86.09675	0.4
91.05482	0.3
93.07040	0.2
95.08568	0.2
96.08115	3.3
99.08084	0.2
107.04945	4.5
109.06497	0.2
109.08897	0.3
115.05430	0.3
116.07099	0.9
117.09166	0.2
121.06547	0.2
122.09663	1.7
123.04408	0.3
124.11224	30.5
125.12093	1.6
136.07445	0.2
140.10699	0.2
142.12260	54.0
143.04912	0.5
143.12650	1.2
145.06454	0.3
157.10904	0.2
161.05965	1.2
168.90216	0.2
196.16879	0.2
196.62477	0.2
197.10229	0.2
224.16420	0.2
242.17538	1.9
244.57915	0.2
255.10181	0.9
268.19092	1.6
286.14435	5.5
286.20096	100.0
287.05466	0.4
287.14517	0.3
287.20450	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.05781	0.1
55.01865	0.3
58.86146	0.1
65.03939	0.4
67.01858	0.3
68.99793	2.4
69.03419	0.3
69.52869	0.3
69.53255	0.4
77.03948	0.1
77.33836	0.1
78.54408	0.1
79.05480	0.5
81.03412	0.3
81.07011	0.3
91.05460	0.2
95.04971	0.3
97.02905	0.2
103.05457	0.3
105.03392	1.0
107.04945	1.2
109.02863	0.9
111.00799	1.6
111.04449	0.3
115.05519	0.2
117.07025	0.2
121.02866	7.6
121.03797	0.3
121.06499	0.3
127.03844	0.2
129.07002	0.4
133.02827	1.0
135.04396	0.3
135.07976	0.2
137.02354	2.4
141.06987	0.3
145.06459	0.6
147.04410	1.6
149.05963	0.2
153.01822	10.5
155.05998	0.2
157.06480	1.3
161.05975	0.5
163.07527	0.2
165.01831	3.5
167.08542	0.2
171.04420	0.6
175.03833	0.2
183.02884	1.7
185.05978	1.3
189.05511	0.3
195.08043	0.4
197.05934	0.4
201.05501	0.1
203.03389	0.2
203.07104	0.2
213.05469	3.2
223.07599	0.2
227.10730	0.2
229.04942	0.5
231.06549	1.3
241.04947	2.0
243.06453	0.2
244.14934	0.2
255.10216	0.2
258.05231	2.5
259.05908	0.9
269.04532	0.4
287.05484	100.0
288.05807	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03942	0.1
55.01864	0.1
55.05515	0.1
58.06578	0.1
65.03941	0.2
66.80628	0.1
67.01859	0.2
67.05495	0.1
68.99784	1.4
69.03406	0.2
69.45408	0.2
71.01322	0.1
77.03921	0.1
79.05484	0.4
81.03408	0.2
81.07053	0.1
91.05466	0.1
95.04980	0.3
95.08633	0.1
97.02903	0.1
98.09669	0.1
98.71124	0.1
103.05433	0.1
105.03385	0.7
105.04460	0.1
107.04939	0.8
109.02867	0.5
109.10202	0.1
111.00798	1.2
111.04446	0.3
115.05451	0.2
117.07012	0.1
119.04910	0.1
121.02861	4.9
121.03895	0.2
121.06502	0.1
122.03287	0.1
123.04423	0.1
127.03894	0.2
128.06294	0.1
129.06981	0.2
129.83017	0.1
133.02834	0.8
135.04424	0.2
137.02336	1.4
139.05476	0.1
140.58003	0.1
141.06973	0.2
145.06514	0.4
147.04391	1.0
153.01816	7.2
154.02177	0.1
157.06483	0.9
157.07684	0.1
161.05963	0.3
163.03857	0.1
165.01825	2.8
166.02458	0.1
169.06544	0.1
171.04375	0.4
175.03915	0.1
175.07611	0.1
179.03413	0.1
183.02893	1.2
185.05980	0.8
189.05501	0.2
197.05992	0.3
199.03896	0.1
201.05499	0.1
203.03461	0.1
203.07028	0.2
213.05450	2.3
214.05824	0.1
216.04190	0.1
217.04886	0.1
219.06476	0.1
229.04973	0.2
230.05696	0.1
231.06473	0.9
241.04926	1.3
242.05582	0.1
243.06522	0.2
245.04364	0.1
258.05255	1.7
259.06021	0.7
263.05429	0.1
268.26245	0.1
269.04233	0.3
286.27435	0.4
287.05475	100.0
288.05807	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.96561	1.5
64.99751	0.4
68.91096	0.4
70.06599	3.1
70.22262	1.0
72.08139	1.4
81.07036	0.4
84.08099	0.6
86.09692	0.5
87.76411	0.4
96.06857	0.6
98.97571	0.6
98.98470	1.0
111.11741	0.4
112.07581	0.6
116.07026	0.5
120.08078	1.0
124.04017	0.4
125.04328	0.5
125.07108	2.0
125.13408	0.4
140.07086	0.6
157.56485	0.5
171.07715	2.2
204.03333	0.5
213.03912	0.7
222.04370	1.0
269.15002	1.0
287.04486	2.5
287.11005	100.0
287.16150	2.9
288.11337	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44561	1.0
55.01871	2.6
55.05520	4.9
56.05032	7.8
58.06625	1.3
60.04536	1.7
67.05502	25.3
68.05022	2.9
69.03437	1.8
69.07066	6.7
70.02953	15.6
70.06583	7.6
71.01364	1.1
71.04991	3.0
72.08155	1.2
73.02932	2.2
74.64116	1.1
79.05493	7.5
80.05029	3.7
81.07053	7.3
82.02945	2.0
82.06604	4.0
83.05008	1.3
83.08637	1.4
84.04514	3.5
84.08179	2.8
85.02926	1.5
85.06592	1.3
86.09717	1.4
87.05586	15.6
88.03969	4.9
91.05466	8.4
93.07040	11.5
94.06596	1.9
95.01332	2.2
95.04996	3.5
95.08609	13.9
96.00889	1.1
96.04496	7.2
96.08144	1.3
97.06552	3.7
99.00797	2.4
100.04014	2.7
105.07022	1.4
107.04955	9.4
107.08603	3.9
108.04501	19.7
108.05306	5.1
109.05277	2.5
109.06500	2.4
109.10154	25.6
110.06051	2.2
111.08114	1.2
111.11706	1.6
112.07618	1.1
116.07150	1.3
119.08558	8.2
119.68972	1.2
121.02897	1.3
121.06536	3.9
122.06051	3.9
123.04462	1.8
123.08179	1.5
126.05536	2.2
135.08041	5.0
136.07573	4.6
136.11192	12.7
136.12077	1.3
137.05991	1.6
137.09607	22.6
137.10632	1.2
139.07556	2.3
140.07098	1.2
145.06520	1.1
148.11237	1.4
153.01865	1.8
154.05011	2.4
154.12257	13.0
155.03430	2.2
155.10706	2.5
160.11273	1.2
161.06004	1.4
162.12857	3.4
163.07625	1.3
164.10703	12.3
166.12296	5.8
167.07089	2.7
172.13327	17.7
173.11722	6.6
178.12245	14.3
178.13535	1.0
180.13818	27.4
182.11758	11.1
184.13394	4.3
188.10716	7.5
195.06494	9.9
196.13522	2.0
198.15010	3.0
206.11757	61.1
207.12222	1.7
208.13332	1.4
209.08124	1.4
210.11230	9.3
221.11307	1.0
223.14497	2.7
224.12799	47.6
225.13153	1.3
226.14439	1.4
227.09187	1.9
228.12363	4.7
234.11195	1.1
241.15475	22.3
242.13844	15.9
243.14838	1.3
243.17188	4.5
245.09415	1.2
251.14198	1.6
252.12439	4.5
256.10480	2.3
258.39600	1.1
269.14996	2.8
270.13452	2.6
287.05527	17.7
287.16092	100.0
288.05869	1.4
288.16180	1.2
288.20529	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
52.81240	0.5
53.03942	0.6
55.01873	1.0
55.05507	5.7
57.07063	1.3
65.03944	1.0
67.05504	11.2
67.31158	0.4
69.07059	4.0
69.56670	1.1
69.57060	1.0
71.04987	0.6
71.08636	0.5
72.08160	0.5
77.03918	0.9
79.05492	15.8
79.64173	0.4
81.03421	0.6
81.07057	12.2
83.05009	1.1
83.08617	2.2
85.10161	0.5
86.31798	0.4
91.05479	12.4
93.07043	42.8
94.07368	0.6
95.04980	3.4
95.08012	1.0
95.08604	14.1
97.10168	1.3
101.37746	0.5
103.05465	1.0
103.74120	0.5
105.04514	1.7
105.07027	18.3
105.07737	0.9
106.07872	0.8
106.08646	0.6
107.04981	1.3
107.08586	14.0
109.06522	1.3
109.10157	14.3
111.04452	6.9
115.05455	0.5
117.07029	2.1
119.08572	15.4
121.10143	100.0
122.10446	2.5
123.08064	2.0
123.11712	3.0
125.05977	1.2
128.06233	0.6
129.06999	2.1
131.08548	5.4
133.06505	0.5
133.07642	0.9
133.10129	10.0
135.08047	0.8
135.11691	8.6
137.06000	1.0
137.13268	1.0
139.07603	0.8
140.00221	0.5
141.06946	0.7
142.07805	1.2
143.08557	5.0
145.10124	6.6
147.08029	2.1
147.11668	5.2
149.09608	0.8
149.13219	2.2
151.07553	1.4
155.08525	1.8
156.09367	1.5
157.10133	4.6
158.10689	0.5
159.08102	1.0
159.11705	5.5
161.09570	0.8
161.13232	2.7
163.07542	0.5
163.14810	0.8
165.09116	2.1
169.10126	1.4
171.08061	0.9
171.11673	4.6
173.09627	2.0
173.13260	3.0
175.07527	0.6
175.14821	0.8
177.09151	0.9
177.16368	1.5
179.10664	1.0
183.11691	1.3
185.09570	1.7
185.13271	4.3
187.11177	1.5
187.14799	4.6
189.08981	0.7
189.16373	6.5
191.10655	1.6
193.12311	0.9
195.11722	0.5
197.13264	0.6
199.11154	2.9
199.14851	2.5
201.12740	0.9
201.16383	0.8
203.10658	1.3
205.12244	1.0
209.13298	0.8
213.12764	2.2
213.16368	1.3
217.12259	3.7
225.16386	2.0
227.14320	0.9
227.17947	5.5
231.13829	3.0
231.25175	1.0
241.15933	1.0
241.19543	5.9
245.15485	1.1
251.17941	1.7
269.19000	9.4
287.05563	0.9
287.16730	1.1
287.20053	23.3
287.23050	0.8
287.28217	0.7
287.31329	8.7
288.20444	1.4
288.28931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	Retinol
Peak:m/z	Relative Intensity
54.24435	1.7
55.05501	11.7
57.07063	3.3
60.35647	1.7
66.71063	1.5
67.05497	24.0
69.03447	1.7
69.07079	15.2
69.74516	5.3
71.04983	2.5
72.08161	1.9
79.05489	16.9
81.06570	2.5
81.07052	52.7
82.91331	1.6
83.08598	5.6
83.27821	1.5
91.05468	18.5
93.07037	33.6
95.04960	7.9
95.08599	44.6
97.06540	2.1
97.10151	2.9
105.07022	33.9
107.04951	1.7
107.08590	27.7
109.06522	3.7
109.10150	31.5
111.11722	1.7
117.07020	6.1
119.08566	28.7
121.10151	24.8
123.08047	3.1
123.11698	14.0
125.09576	2.7
129.07030	4.2
131.08565	17.1
133.10120	26.7
135.08105	2.2
135.11679	13.4
137.13226	2.8
142.07739	3.3
143.08572	10.2
144.09267	2.0
145.10109	24.2
146.10464	1.9
147.11679	23.4
149.09607	3.4
149.13266	14.7
151.11163	4.3
156.09285	2.2
157.10106	15.0
159.11665	27.4
161.13249	20.9
163.11153	3.3
163.14862	4.3
165.12732	3.6
171.11685	11.8
173.13268	12.7
175.14809	8.9
177.12770	3.3
179.14354	2.3
185.13228	11.4
187.14856	8.1
189.12711	3.6
189.16324	5.4
191.14334	4.3
199.14827	8.3
201.16298	4.3
203.17934	2.5
205.15831	2.0
206.75548	1.7
213.16383	14.5
215.17952	2.9
217.15753	2.6
227.17960	7.5
229.19560	2.8
231.17519	4.9
259.24271	2.3
269.22623	49.7
270.23013	3.1
287.05386	3.1
287.23660	100.0
287.31216	11.2
288.24011	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03948	0.5
54.26687	0.4
55.05513	0.4
56.96566	0.7
57.03427	1.0
60.04521	0.7
60.05658	0.4
61.02914	0.7
64.48917	0.5
69.03427	2.3
70.06594	3.0
70.21165	0.5
70.21473	0.7
71.04970	1.0
72.08150	1.1
73.02915	0.6
73.25536	0.4
74.06068	0.5
79.05491	0.6
81.03402	1.6
81.07066	0.6
84.08136	1.2
85.02892	5.0
86.09713	3.4
87.43758	0.4
88.13774	0.4
95.04948	0.5
97.02883	1.6
98.97582	1.7
98.98504	0.5
99.04471	1.0
99.54252	0.5
109.02863	1.9
116.07084	0.5
116.98605	0.5
117.79848	0.5
127.03911	100.0
128.04250	1.3
129.10213	0.6
143.11794	1.0
145.04921	1.0
152.03191	1.4
159.07658	0.5
168.11050	0.4
172.94394	0.5
173.12833	2.1
175.11932	0.6
181.31427	0.4
186.07527	0.5
201.12477	0.7
208.96622	0.5
271.10205	0.9
272.13504	0.5
288.20102	0.6
288.22983	0.8
289.08948	0.9
289.12457	6.7
289.15848	1.0
289.20554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
55.05516	7.5
57.07079	1.6
57.53523	1.0
67.05502	2.3
67.11826	0.9
69.03423	14.3
69.07077	4.8
79.05498	5.1
81.06612	0.9
81.07036	4.4
83.04975	19.6
83.08627	2.6
91.05470	5.4
93.07040	9.2
95.04974	1.5
95.08591	3.3
97.06529	1.6
103.05450	1.0
105.07018	12.8
107.04950	0.9
107.08585	22.8
109.06491	3.7
109.10152	2.9
111.08153	0.9
117.07024	1.3
119.08588	7.4
121.06512	3.9
121.10136	100.0
122.10456	2.2
123.08064	2.9
131.00941	0.9
131.08551	7.4
133.07593	1.8
133.10136	8.1
134.53909	1.1
135.08069	10.9
135.11699	4.1
137.09615	17.2
143.08531	1.8
145.10114	2.8
147.11708	4.3
148.12364	1.3
149.09679	5.3
149.13248	88.1
150.13539	1.9
151.11215	2.0
155.40651	1.0
158.10913	3.3
161.09663	2.1
163.14810	7.2
171.51425	1.0
173.13245	8.6
191.14296	53.7
192.14673	1.6
289.11035	26.5
289.13760	0.9
290.11502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05503	5.5
55.10286	0.6
57.07065	1.0
64.59405	0.7
67.05474	3.2
68.19584	0.7
69.03436	13.7
69.07065	6.1
69.42138	3.7
71.04984	1.5
79.05517	4.0
81.03407	0.9
81.07057	4.2
83.04987	12.0
83.08592	2.2
85.06563	1.1
91.05475	6.1
93.07042	7.5
95.04946	2.3
95.08601	6.1
97.06503	2.6
99.04433	1.2
103.59789	0.7
105.07038	7.3
107.04935	1.8
107.08600	20.4
109.06537	4.2
109.10123	2.4
111.08070	1.9
117.07083	1.6
119.08588	6.0
121.05730	0.8
121.06511	9.6
121.10153	17.6
123.08061	2.9
123.11706	1.0
125.06002	0.9
131.08595	7.6
133.06459	0.8
133.10112	6.8
135.08078	11.1
135.11668	2.1
136.08804	1.3
137.09596	2.4
139.07571	1.1
142.07925	0.8
143.08530	1.8
144.09341	0.8
145.10103	3.1
147.07994	0.7
147.11671	6.3
149.09639	6.0
149.13264	9.3
151.07544	2.5
158.10907	3.6
159.08075	1.5
161.09593	3.7
163.14821	1.7
165.12770	4.9
169.12241	1.4
171.11711	1.2
173.13257	10.8
175.11235	1.8
176.11948	2.1
189.12735	1.3
191.10672	2.6
191.14316	100.0
192.14642	3.0
193.12192	1.7
199.11212	1.4
207.13824	1.3
209.15393	4.3
211.13240	1.6
217.12260	4.3
229.14363	0.9
235.13342	4.8
253.14410	2.1
289.06149	1.3
289.11072	33.3
289.14297	2.3
289.18063	3.1
290.11380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57436	1.7
51.14532	2.2
55.01867	5.3
55.05506	12.6
67.05499	12.3
69.03435	6.3
69.07070	17.0
69.23839	11.8
71.04984	10.3
73.55501	2.1
77.62170	1.5
79.05504	22.6
80.55239	1.6
81.07056	47.1
83.04981	21.3
83.08623	6.8
85.06547	7.7
89.66391	1.7
91.05478	20.6
93.07047	55.7
95.04955	15.6
95.08613	46.0
97.06533	33.1
98.23431	3.4
98.35551	1.7
99.04447	24.7
100.52771	1.7
105.07029	39.2
105.07735	2.3
107.04957	5.2
107.08598	33.8
109.06514	34.9
109.10155	6.3
111.08080	21.2
113.06041	4.3
115.07533	2.3
119.04979	2.0
119.08586	23.4
121.05622	4.1
121.06505	85.3
121.10158	16.2
123.04414	3.2
123.08095	7.1
123.11704	11.0
125.05980	16.3
127.07587	8.3
129.07008	4.4
131.08582	8.7
133.06502	2.8
133.10114	26.6
135.04440	4.7
135.08011	18.2
135.11664	2.8
137.05998	3.5
139.07544	27.7
141.05522	3.2
142.07800	2.3
143.07053	6.8
143.08577	7.2
145.10120	7.3
147.08035	5.4
147.11678	59.4
149.09631	6.3
149.13286	6.9
151.07521	4.0
151.11211	8.4
155.08476	2.1
156.09206	2.8
157.08621	10.5
157.10133	17.2
159.06566	15.2
159.07983	2.7
161.09691	2.4
161.13249	10.5
163.14795	2.2
165.12743	19.0
169.12230	21.2
171.11702	15.7
173.09567	3.7
173.13257	6.7
175.11163	31.6
181.10112	2.5
189.09184	2.1
189.12750	23.3
191.10663	2.6
191.14320	45.9
193.12224	35.4
199.11176	25.5
207.13762	15.8
208.14125	2.1
211.13295	40.4
217.12234	100.0
218.12556	2.7
229.14325	13.8
235.13275	97.8
236.13765	2.3
253.14354	59.1
254.14688	2.7
271.15372	2.8
289.10999	19.1
289.18054	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
50.76798	0.5
53.03928	1.2
55.01876	1.4
55.05509	22.8
57.03443	0.7
57.07064	2.6
58.85122	0.5
59.04989	1.4
64.97812	1.1
65.03934	1.2
67.05162	0.9
67.05501	14.5
69.03413	2.7
69.07065	13.5
69.73873	2.2
71.04980	1.7
71.08621	1.0
73.06546	1.8
79.05484	17.2
81.07051	22.3
83.04971	1.4
83.08611	5.6
83.60347	0.6
85.06532	2.2
91.05474	26.4
92.05795	0.6
93.07040	23.1
95.04957	3.3
95.08595	15.0
97.06523	2.5
97.10164	3.5
99.08088	1.4
103.05408	0.9
105.04491	0.9
105.07022	45.3
106.07382	0.8
107.04939	1.7
107.08588	18.8
107.09280	0.7
109.06515	6.6
109.10146	6.0
111.08058	2.2
117.07004	7.8
119.08572	38.0
120.08875	0.8
121.06488	17.0
121.10133	7.3
123.08066	3.2
123.11660	1.2
125.09643	1.8
129.06990	2.5
131.08560	14.5
133.10117	19.8
133.41132	0.6
135.08034	9.7
135.11700	3.1
137.05919	1.0
137.09579	0.8
141.06947	0.8
142.07750	0.8
143.08528	3.1
145.06468	0.9
145.10124	15.3
147.08038	3.2
147.11674	18.1
149.09628	2.8
149.13239	2.8
155.08534	2.5
157.10124	4.6
159.08003	1.6
159.11671	12.9
161.09637	2.1
161.13248	11.4
163.07579	0.7
163.11179	10.1
163.14812	1.1
165.12755	2.6
169.10132	1.5
171.11665	3.9
173.09639	1.3
173.13246	7.6
175.11209	1.5
175.14786	3.3
177.12711	14.5
177.16322	0.8
179.10683	0.8
179.14276	1.3
183.11668	3.1
185.13237	1.4
187.11232	0.8
187.14777	3.4
189.12720	1.5
189.16321	1.1
191.14282	2.4
197.13191	3.4
201.12743	2.3
203.14236	1.7
205.15845	1.7
211.14883	1.3
213.16391	0.8
215.14331	1.8
215.17938	1.0
229.15941	1.3
233.15359	2.2
233.22638	1.1
239.17961	4.9
243.21069	1.8
247.06177	3.5
247.16797	1.4
253.19339	1.4
257.18967	7.4
261.22116	18.3
271.20557	5.5
289.21573	100.0
289.28793	2.0
290.08099	9.7
290.19064	0.7
290.21933	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Pipataline
Peak:m/z	Relative Intensity
55.01860	1.2
55.05259	1.0
55.05512	13.6
57.07048	0.7
59.05003	1.2
65.03940	1.0
67.05502	15.2
69.07067	10.3
71.04993	0.8
71.46589	0.6
73.06544	1.7
73.81388	0.6
76.44977	0.7
79.05489	14.7
81.07055	16.6
81.24904	0.8
83.04971	1.1
83.08617	6.8
85.06544	3.0
91.05475	37.5
93.07038	13.1
95.04948	1.9
95.08601	14.9
95.09195	0.9
96.08912	0.8
97.06519	1.0
97.10173	1.3
99.08076	1.1
102.19848	0.7
103.05437	1.7
105.07027	53.9
106.07362	1.2
107.08588	8.6
109.06506	0.9
109.10162	6.0
111.08041	1.4
115.05460	1.1
117.07013	12.4
119.08575	45.8
120.08952	1.2
121.10134	4.9
123.08070	0.9
123.11696	0.9
129.07008	2.5
131.08566	14.8
133.10120	29.6
135.08037	1.2
135.11705	2.0
137.09637	0.7
141.06999	1.6
142.21573	0.7
143.08539	2.6
145.10115	17.7
147.11679	23.6
147.12842	1.3
148.12006	1.0
149.09642	1.3
149.13239	0.9
155.08585	1.3
156.56467	0.7
157.10147	5.7
159.11696	16.8
161.09628	1.3
161.13243	10.9
163.11171	1.2
169.10152	3.6
171.11685	3.3
173.13251	11.3
175.14780	1.1
183.11684	3.1
184.74747	0.7
185.13374	1.8
187.11208	1.4
187.14848	1.3
189.12628	0.6
197.13271	2.1
201.12683	2.0
207.13879	0.7
211.14871	1.6
213.16399	1.5
215.14345	1.3
215.17888	3.5
229.15787	1.0
229.19469	1.8
239.17900	7.8
257.18970	12.8
265.55579	0.6
289.21600	100.0
290.22021	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	Epoxycembrene A
Peak:m/z	Relative Intensity
53.03917	0.1
55.01858	0.3
55.05262	0.1
55.05509	2.3
57.07075	1.1
67.05161	0.1
67.05500	2.5
69.03417	0.4
69.07064	4.2
70.05769	0.1
70.06110	0.3
71.04978	0.3
71.08632	0.5
79.05488	1.7
79.05936	0.1
81.07052	3.7
83.04972	0.1
83.08624	1.4
85.06548	0.3
85.10143	0.1
91.05470	1.3
93.07037	4.0
94.07378	0.1
95.04958	0.8
95.08599	2.3
97.06522	0.2
97.10166	0.3
99.08102	0.2
101.09656	0.2
105.07027	1.8
107.04942	0.3
107.08590	3.0
109.06516	2.6
109.10157	0.9
111.08057	0.1
117.06996	0.4
118.31817	0.1
119.08571	1.5
121.06500	3.2
121.10127	1.5
122.07333	0.2
123.08092	0.7
123.11697	0.6
129.72205	0.1
131.08539	0.7
133.10123	1.1
135.07040	0.2
135.08054	2.8
135.11668	0.7
136.08801	0.3
137.09595	0.2
137.13255	0.2
139.11140	0.1
143.08586	0.1
144.09348	0.2
145.06520	0.1
145.10121	1.0
147.08084	0.1
147.11661	0.6
148.08780	0.2
149.09618	1.0
149.13245	0.7
151.11139	0.3
151.14795	0.1
159.11662	0.7
161.09596	0.4
161.13275	0.6
162.10371	0.2
163.11211	0.7
163.14821	0.4
165.12782	0.8
173.13286	0.4
175.11169	0.4
175.14809	0.4
177.12740	2.8
177.16364	0.3
179.14291	0.2
187.14828	0.4
189.12810	0.2
189.16386	0.8
191.14330	0.6
191.18011	0.2
192.14980	0.2
201.16397	0.3
203.18001	0.2
205.15849	0.8
205.19362	0.1
215.18054	0.2
217.19647	0.1
219.17412	0.4
219.20720	0.1
231.17361	0.2
231.21075	0.1
233.18906	0.2
247.20624	0.1
250.46408	0.1
261.25803	0.4
271.24225	0.9
289.25223	100.0
290.25558	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19420	0.6
53.03953	0.9
55.01870	1.0
55.05519	5.6
56.05025	2.2
57.03434	7.3
57.07069	2.6
58.99577	5.1
67.05164	1.0
67.05505	18.0
68.05807	0.7
69.07061	3.0
71.04994	1.6
71.08612	2.2
71.22106	0.8
76.02228	31.2
77.00671	0.6
79.05476	4.1
80.05841	0.7
81.03407	2.0
81.07047	5.1
83.08608	2.8
84.04512	5.7
85.06527	1.2
86.99039	2.5
88.02213	0.7
88.03976	1.9
89.00627	1.5
91.05486	3.7
93.07050	4.4
95.04958	2.1
95.08605	2.4
96.08947	0.9
97.06528	1.6
97.10167	2.2
99.08078	1.9
105.00087	5.6
105.07034	3.0
107.04915	1.0
107.08592	1.8
109.06543	2.7
109.10149	8.5
117.07021	1.9
118.03237	12.8
118.07408	0.7
119.08590	3.0
120.08915	1.3
121.06506	1.3
121.10134	1.5
122.02721	100.0
123.03056	0.8
127.11195	24.7
129.07030	1.0
130.05005	4.0
131.08548	2.7
133.06508	0.9
133.10152	1.1
135.08096	2.3
135.11708	1.4
135.73309	0.7
137.09528	0.8
143.08588	1.2
145.10121	2.2
146.02704	9.5
147.08092	1.3
147.11693	0.8
149.09607	1.4
157.10138	1.3
159.08356	11.4
159.11679	1.8
160.08458	1.1
161.09599	1.2
164.03760	67.9
173.11772	1.6
195.58942	0.7
202.12668	0.7
205.06509	1.2
213.72980	0.7
223.13354	1.9
234.06525	1.2
248.13164	1.7
249.11292	0.7
261.05435	0.9
263.07016	1.2
272.17334	1.5
272.20142	1.1
273.18564	3.0
290.05789	3.4
290.17694	9.1
290.21133	3.4
291.06485	5.3
291.15994	1.3
291.19571	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95133	0.8
54.99486	0.8
55.05500	3.7
56.05029	2.1
58.06593	2.3
60.04514	1.4
61.01554	0.9
62.06088	18.0
67.05515	4.4
69.07058	2.2
70.06593	5.1
70.60950	1.2
70.61300	1.0
70.92827	0.8
72.04514	10.3
72.08144	1.8
74.06073	1.9
76.33012	1.0
79.05499	4.5
80.05019	1.2
81.03416	3.4
81.07053	8.6
82.06565	2.8
83.04972	1.9
83.08623	1.2
86.06073	6.8
88.07617	3.2
91.05481	3.5
93.07039	4.6
95.04977	2.1
95.08591	4.3
96.08115	1.5
97.06506	1.7
97.10161	1.4
98.06037	4.8
98.23436	1.0
100.07600	5.2
104.07117	7.9
105.07021	1.1
107.08580	2.5
109.06558	1.0
112.07587	1.5
114.09138	1.7
116.07097	3.7
117.06982	0.8
119.08570	1.4
119.20427	0.8
121.10129	2.8
123.08064	1.5
124.07603	1.7
125.09592	0.8
131.08566	1.7
133.10161	0.9
136.49107	0.8
138.12749	2.1
147.11658	1.0
149.09653	1.6
157.10071	1.0
175.11180	1.2
182.15349	4.2
193.12225	3.6
198.14915	1.1
204.75395	0.8
210.14879	27.3
211.13318	13.8
211.15234	1.1
226.18001	3.5
228.15935	53.6
229.16434	1.6
236.16463	1.8
244.19026	2.4
246.17009	13.2
254.17468	8.6
272.18542	100.0
273.18823	4.2
273.39911	0.9
290.19492	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2113
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01866	1.1
55.05507	1.2
57.07057	0.8
59.04974	0.2
67.05492	0.7
69.07066	2.7
69.26535	0.9
70.06596	0.9
73.02917	2.5
73.06554	1.6
79.05476	0.6
81.07040	0.9
83.04966	0.3
84.08085	0.2
85.10131	0.2
88.07632	1.2
91.05454	0.8
93.07024	0.6
95.04935	0.2
95.08572	0.3
97.06523	0.5
99.48708	0.2
101.05981	0.3
105.07018	0.3
106.06537	0.2
106.08674	0.2
107.04927	0.3
107.08552	0.3
114.07219	0.5
116.36181	0.2
117.05716	0.2
117.07009	0.2
118.06535	9.1
119.07293	0.3
119.08540	0.5
120.08085	0.3
121.06489	0.2
131.08556	0.4
132.08076	3.4
132.10178	1.1
133.08881	1.5
133.09801	0.3
134.09637	0.8
135.08018	0.5
141.65317	0.2
145.10121	0.3
146.09630	2.8
147.08023	0.2
147.10439	0.4
147.11591	0.2
150.11229	1.1
160.11171	0.4
161.09662	0.2
176.14331	40.4
177.14720	1.4
202.15909	0.8
204.10268	0.2
232.13231	0.9
233.13980	0.3
245.18861	0.2
246.14795	1.3
246.24226	0.5
247.15579	0.2
254.22853	0.7
255.17413	0.2
258.99496	0.2
260.16446	0.8
273.18411	0.4
290.21118	100.0
290.26770	6.1
291.16367	0.4
291.21738	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12539	5.0
56.51619	4.6
56.96554	24.1
63.30474	4.4
64.02930	4.9
65.31915	4.4
70.06593	8.1
70.91560	7.7
71.12698	4.8
84.08147	9.2
84.96067	5.4
98.97581	44.1
114.61665	4.6
116.59727	5.2
116.98653	23.3
118.08641	7.2
119.01932	11.4
124.99147	11.2
128.44926	5.1
130.08623	15.8
130.79204	4.7
133.03491	5.4
134.99654	8.5
139.01572	4.7
143.00186	10.2
161.01216	7.7
177.00893	8.9
218.01292	8.0
219.01784	9.2
219.03642	8.4
222.08804	5.2
227.84042	4.7
235.02800	4.6
236.02321	10.0
290.94778	12.1
291.08389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	68.3
68.16174	9.2
70.06611	21.7
70.08324	22.3
70.08665	12.3
84.08171	48.7
85.59006	9.0
85.81760	8.5
86.09724	43.8
87.10027	14.0
98.97592	83.1
98.98475	12.7
102.85721	9.5
116.98634	35.9
118.08706	12.7
120.06564	13.5
120.08141	10.4
124.99218	10.9
127.12334	18.4
143.00194	28.0
143.11917	10.1
144.12221	12.3
161.01274	18.6
173.12871	22.6
174.02293	10.3
174.13310	12.4
218.04738	10.6
227.05124	12.2
273.05557	25.7
290.94714	28.9
291.03775	11.2
291.08551	100.0
291.13461	22.8
291.16885	13.6
297.62711	9.3
309.07712	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1703
Annotation	CL 22T
Peak:m/z	Relative Intensity
50.99324	0.5
51.35241	0.4
55.01857	1.9
55.05500	0.5
57.03424	0.9
57.83404	0.3
67.05497	1.2
67.30064	0.4
69.07059	1.0
69.90946	1.3
72.04512	20.8
73.02904	0.4
79.05493	1.5
80.93707	0.4
81.07043	1.8
83.04943	0.6
88.77438	0.4
91.05460	1.8
93.07055	0.5
95.04955	0.6
95.08603	0.7
97.06532	2.5
99.00802	0.5
99.07716	0.4
105.07040	1.0
107.04963	0.8
107.08587	1.4
109.06507	1.8
116.03423	1.1
117.07040	0.8
118.06538	10.3
119.08540	0.8
121.06466	0.5
121.10143	0.6
129.07007	0.5
131.08543	0.8
132.08066	4.0
133.02809	0.5
133.08838	1.6
134.09634	0.9
135.04407	0.5
135.08051	1.8
143.08586	0.5
144.08084	3.0
145.08882	0.5
145.10088	0.6
146.09631	3.4
149.09641	0.6
158.09666	1.3
159.10490	0.7
159.11722	0.7
160.11224	0.5
161.02315	0.7
163.03925	1.3
171.09207	0.5
172.11267	0.7
173.02348	1.3
174.10489	0.5
176.14334	78.7
177.14713	2.4
187.08684	0.9
188.07077	0.5
189.10225	1.3
202.15881	31.8
203.11781	1.2
203.16246	1.1
215.07010	2.1
215.11810	0.7
217.13338	1.2
217.15881	0.9
229.16962	4.6
233.08127	0.9
245.16464	11.4
246.14803	2.1
247.18044	25.7
248.18382	1.2
273.15933	6.9
273.18542	1.3
274.14346	30.4
275.14685	1.2
291.16983	100.0
292.17340	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.91332	0.6
53.03944	4.0
55.01871	7.6
55.05511	11.1
56.05016	1.4
57.03426	1.8
57.07074	1.4
65.03931	1.0
67.05499	20.0
69.03423	2.0
69.06714	1.0
69.07064	15.3
69.29406	4.0
71.04989	4.6
74.06065	0.9
77.03920	1.1
79.05488	33.2
81.03417	17.3
81.07052	69.9
82.07384	1.0
83.04961	5.3
83.08620	3.6
85.06529	2.0
88.07610	2.0
89.07948	1.3
90.97488	0.6
91.05474	20.9
93.07040	21.7
95.01337	0.8
95.04972	11.8
95.08603	8.6
97.06520	5.1
97.10181	1.9
99.08075	1.6
99.94401	0.7
103.05485	1.3
105.04504	2.0
105.06342	1.3
105.07018	16.6
107.04949	52.8
107.08581	9.4
107.30428	0.7
109.06512	31.4
109.10141	2.8
111.08090	2.1
115.05443	1.5
116.06183	0.7
117.07013	11.6
118.08578	0.7
119.04929	2.3
119.08565	11.2
121.06500	7.2
121.10129	8.9
123.04412	1.1
123.08075	6.4
123.11704	0.7
125.09632	1.5
128.06212	1.5
129.06989	5.0
130.07774	1.3
131.04926	1.0
131.08562	10.2
133.06511	4.3
133.10112	7.2
135.08049	6.0
135.11696	6.1
137.05980	3.7
137.09622	2.6
139.07489	1.1
141.07018	0.9
142.07796	1.3
143.08553	4.2
145.06435	2.3
145.10120	10.9
147.08040	4.4
147.11702	3.3
149.09601	20.9
149.13301	0.9
151.11209	1.2
155.08560	2.6
157.06526	0.7
157.10120	5.6
159.08092	1.8
159.11696	3.1
160.47018	0.7
161.09610	6.1
161.13322	0.8
163.11169	9.6
165.12712	0.9
171.11655	2.5
173.09593	5.5
173.13242	1.6
175.11163	6.8
177.09148	1.3
177.12779	3.4
179.10678	0.8
181.10210	0.8
181.12209	1.2
185.09593	1.6
185.13202	1.3
187.11092	1.4
189.12724	1.8
191.10660	2.5
193.12250	2.3
195.11731	1.0
199.11148	1.0
203.10741	1.0
205.06512	0.8
209.11702	1.3
213.16277	1.0
218.31163	0.6
221.11696	2.8
227.12730	2.0
227.17712	0.7
235.07350	0.8
235.13261	2.2
237.16281	0.9
243.25156	4.1
243.27380	0.8
245.18994	1.8
247.07674	1.4
249.14864	1.0
255.17468	2.4
263.06934	0.9
263.19897	1.1
273.18475	15.6
274.18848	0.8
291.06439	2.5
291.10025	3.9
291.19498	100.0
291.26965	12.1
292.19800	4.7
292.22598	1.1
292.26770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.33463	1.0
52.29515	0.9
53.03939	2.9
55.01875	16.3
55.05255	1.6
55.05512	23.8
57.03439	9.4
57.07067	2.4
59.04995	1.1
65.03930	3.4
67.05505	39.9
69.03437	4.3
69.07069	16.3
69.80249	1.8
69.80611	1.8
70.06580	4.7
71.04984	5.2
71.06937	1.1
71.12932	0.9
71.61346	0.9
77.03924	1.7
79.05493	44.6
80.05822	1.0
81.03430	7.0
81.07058	59.1
83.04995	7.2
83.08614	9.9
85.02903	1.5
85.06541	2.9
88.07635	5.2
88.17261	0.9
89.07957	1.3
91.05479	30.2
91.41433	0.8
93.07049	27.9
94.48738	0.9
95.04972	30.1
95.08611	16.6
97.06534	7.4
97.10161	7.0
98.23453	1.1
99.04459	1.3
99.08083	0.9
102.07920	0.9
102.09161	2.9
103.05463	1.4
105.03373	1.5
105.04520	2.2
105.07030	23.3
107.04958	17.4
107.08592	21.2
109.06517	27.2
109.10146	7.5
111.04448	1.9
111.08079	3.0
115.05482	2.3
116.06274	1.2
117.07020	16.8
119.04951	2.0
119.08578	25.9
121.06503	13.0
121.10152	9.9
123.04408	1.3
123.07260	1.5
123.08073	17.5
125.09601	6.0
128.06233	3.1
129.07024	9.9
131.08575	18.2
133.06491	5.7
133.10129	7.6
135.08047	25.7
135.11693	5.6
137.09641	4.9
141.06969	1.7
143.08539	8.9
145.10118	17.0
147.08047	13.2
147.11668	4.9
149.09608	12.9
149.13257	1.8
153.09077	4.4
155.08574	1.6
157.10109	7.8
159.08054	2.5
159.11685	5.6
161.09615	8.9
161.13242	1.7
163.11177	8.7
165.09128	3.9
169.10165	1.7
171.11670	5.2
173.11818	0.9
173.13235	2.0
175.11237	4.7
177.12796	2.2
178.14996	1.1
179.10707	1.5
181.12160	1.3
185.09581	1.0
185.13206	2.2
187.11188	1.6
189.11229	2.8
189.12698	1.7
193.12270	3.2
195.11656	1.9
199.11147	2.2
199.14830	2.2
201.12785	0.9
203.14369	1.0
205.12228	1.1
213.12778	1.8
217.15804	5.7
223.13321	3.7
227.17863	2.7
228.23178	2.1
229.23557	11.9
231.13837	1.2
237.16490	2.2
245.19070	2.9
249.14885	4.7
255.17325	5.4
273.18484	34.1
274.18793	2.2
291.19553	100.0
291.27182	33.4
292.19958	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03945	4.4
55.01877	2.1
55.05511	5.6
59.87297	0.5
65.03944	1.3
67.05500	10.1
69.03426	0.9
69.07076	3.6
69.24034	2.9
71.04988	1.5
78.14423	0.5
79.05489	27.7
81.03427	4.1
81.07053	94.8
82.07394	1.2
83.04990	1.4
83.08622	1.0
85.06533	0.8
91.05479	9.9
93.07043	8.5
95.01376	0.8
95.04965	6.0
95.08604	6.2
97.06532	0.8
97.10166	1.2
105.04519	0.7
105.07019	6.3
107.04951	5.4
107.08580	4.1
109.06513	100.0
109.10163	1.2
110.06853	2.1
115.05505	0.7
117.07022	4.2
119.04912	0.8
119.08564	4.7
121.06489	2.4
121.10085	2.9
123.08057	2.0
125.09604	0.6
129.06982	2.0
130.07782	0.6
131.08557	4.4
133.06442	0.8
133.10133	1.3
135.08044	1.7
135.11649	1.0
141.31456	0.5
143.08543	2.0
145.10129	4.9
147.08058	2.5
149.09627	2.3
157.10124	1.5
159.11702	1.7
161.09627	4.1
163.11139	1.9
169.28697	0.7
171.11697	1.0
175.48347	0.5
185.13290	0.6
188.54323	0.6
191.10588	1.1
227.17950	0.6
242.36014	0.5
245.19055	0.8
249.14854	0.8
254.75523	0.5
255.17203	0.6
273.18448	9.0
274.18921	0.7
291.19516	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01865	10.0
55.05509	21.6
60.08039	3.5
63.67344	4.5
67.05495	18.2
67.50732	3.6
69.03410	4.3
69.07071	7.8
71.38106	5.1
79.05491	36.0
81.07048	46.4
83.08612	9.2
85.02363	4.3
91.05466	25.2
93.07036	17.4
95.04961	13.9
95.08597	12.9
97.10173	5.2
105.07035	16.0
107.04932	19.7
107.08607	9.9
109.10184	6.7
117.07027	17.4
119.08572	39.9
121.06505	20.1
121.10153	8.0
125.09657	13.2
129.06996	5.9
131.08572	10.9
131.34288	4.6
133.06548	4.6
133.10139	4.0
135.08047	7.3
143.08572	10.5
145.10106	16.4
147.08026	21.7
149.09584	16.5
157.10080	5.1
159.08006	5.0
161.09596	9.1
163.11081	4.3
171.11812	5.6
189.11177	3.9
223.13358	6.0
245.18704	4.2
249.14777	14.6
255.17522	4.6
273.18448	45.4
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.51597	1.2
53.03943	1.8
55.01868	8.1
55.05509	15.6
60.35256	1.4
67.05499	15.3
69.03416	4.7
69.07066	6.6
70.53787	2.3
71.04986	1.7
72.88228	1.2
79.05044	2.6
79.05490	39.1
81.03439	1.8
81.07054	41.9
83.04959	4.1
83.08616	9.7
85.06527	1.5
91.05476	22.2
93.07043	19.2
95.04967	13.8
95.08613	9.5
97.06513	2.1
97.10152	8.2
100.68324	1.3
105.04512	1.8
105.07030	18.4
107.04960	11.5
107.08593	11.7
109.06511	4.4
109.10147	3.8
115.05406	2.9
117.07016	18.6
119.04934	3.0
119.08572	32.0
121.06526	16.0
121.10184	8.1
123.08118	3.0
125.09628	8.8
128.06204	3.1
129.06967	8.1
131.08562	10.6
133.06477	5.2
133.10109	4.7
135.08061	7.8
136.43567	1.5
143.08589	6.8
145.06418	1.6
145.10118	14.7
147.08052	22.4
147.11610	2.5
149.09612	5.2
157.06462	1.7
157.10130	5.3
159.08043	2.5
159.11659	4.8
161.09612	7.4
163.11174	3.8
171.11688	2.9
175.11137	2.5
177.09126	1.6
185.13245	3.3
189.11256	7.2
189.12674	1.7
195.11659	2.1
199.11093	2.7
203.61511	1.5
213.12642	2.7
223.13264	4.9
227.17989	1.5
231.13957	1.9
237.16325	2.2
245.19016	3.0
249.14833	13.9
255.17416	4.8
273.18488	42.0
291.19519	100.0
292.19928	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03951	1.1
55.01870	3.6
55.05507	9.4
57.03431	1.6
59.82556	0.8
59.90842	0.7
65.03938	4.4
65.50193	0.6
66.05188	0.6
67.05499	50.6
69.03418	1.8
69.07064	5.5
69.13994	4.2
69.14397	1.0
71.04986	1.1
77.03905	0.8
79.05485	13.4
81.03413	1.6
81.07053	15.8
83.04951	1.0
83.08621	2.4
86.42879	0.7
91.05474	13.6
92.90002	0.7
93.07034	14.4
95.04962	100.0
95.08598	7.8
96.05306	1.5
97.06522	5.6
97.10175	1.4
103.05515	1.0
105.07023	13.3
107.04955	7.8
107.08581	7.8
109.06492	7.0
109.10165	2.3
111.08067	2.5
116.06209	1.1
117.07006	3.9
119.08559	4.1
121.06485	7.4
121.10133	2.9
123.08064	2.3
123.11713	1.0
125.54848	0.8
128.06216	1.4
129.07004	2.9
131.08557	12.0
133.06528	4.0
133.10146	3.7
135.08040	2.6
135.11682	4.6
137.05978	3.2
143.08540	9.0
145.06454	1.0
145.10109	6.4
147.08018	5.6
147.11681	2.8
149.09682	1.8
149.13268	1.8
157.10088	1.8
159.07973	1.0
159.11710	2.0
161.09641	2.2
161.13155	0.8
163.11223	1.5
167.81519	0.9
169.10147	1.3
171.11711	2.2
173.09587	1.0
173.13333	0.7
177.12720	2.5
181.10202	0.8
185.13327	1.3
187.11201	2.4
205.12183	1.7
219.92685	0.7
227.17944	1.3
237.16335	1.7
245.18869	1.5
255.17462	1.3
273.18457	20.8
274.18863	0.9
291.19528	3.8
295.16953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.02365	1.2
53.03928	2.7
55.01871	9.5
55.05259	1.3
55.05509	20.3
57.03412	1.4
58.30697	0.8
65.03946	1.3
67.05497	18.8
69.03420	4.0
69.07061	7.0
69.12225	5.5
71.04979	2.2
77.03912	3.1
79.05486	44.4
81.03414	3.5
81.07050	47.3
83.04967	2.7
83.08609	8.7
84.76125	0.8
85.06538	1.3
91.05470	24.8
93.07040	22.4
95.04956	17.4
95.08601	13.2
97.06558	1.7
97.10162	10.1
103.05445	2.1
105.03398	4.1
105.04510	2.7
105.07025	15.3
107.04945	17.5
107.08585	11.0
109.06523	4.1
109.10178	4.1
111.08048	1.2
115.05423	3.7
116.06222	1.4
117.07017	19.7
119.04941	4.0
119.08572	37.2
121.06503	21.5
121.10139	7.2
122.71461	0.9
123.08040	3.4
125.09600	9.2
125.88997	0.9
128.06212	1.1
129.06998	9.5
130.07816	1.1
131.08557	11.0
132.05721	1.1
133.06470	6.2
133.10126	3.6
135.04372	1.2
135.08044	8.1
135.11665	2.5
137.09615	1.7
143.08566	7.2
145.06496	1.9
145.10123	14.3
147.08047	19.1
147.11661	1.5
149.09622	6.6
155.08537	0.9
157.06523	1.1
157.10059	5.5
159.08046	4.2
159.11687	5.9
161.09599	7.3
163.11151	3.4
169.10138	1.1
171.10237	1.4
171.11565	4.3
173.09595	1.0
173.11858	1.0
173.13339	0.8
175.11217	2.2
185.09576	1.0
185.13254	3.5
187.11177	1.3
189.11220	7.9
195.11629	1.4
199.11151	1.4
203.14302	2.3
212.64713	1.0
213.12700	1.2
223.13263	6.0
227.17912	1.8
231.13747	2.3
237.16338	1.2
245.18979	3.7
249.14856	12.7
254.64413	0.9
255.17387	7.2
273.18472	38.8
274.18845	1.8
291.19513	100.0
292.19858	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	3.3
55.01865	11.7
55.05505	25.1
57.03448	1.8
57.52005	1.5
67.05509	19.9
69.03420	7.4
69.07079	11.9
70.63449	3.5
71.04986	2.5
77.03918	2.3
79.05492	49.6
81.03416	6.5
81.07052	52.8
83.04967	3.7
83.08606	10.9
91.05476	30.9
93.07042	26.2
95.04968	20.3
95.08595	16.6
97.06532	2.9
97.10151	12.0
105.03359	4.6
105.04495	2.3
105.07018	17.8
107.04955	32.1
107.08597	17.0
109.06544	5.7
109.10139	5.2
115.05461	3.6
117.07011	29.0
119.04961	4.0
119.08574	45.1
121.05698	3.1
121.06502	25.5
121.10145	10.9
123.08040	4.5
125.09626	9.0
129.07011	10.1
130.07797	1.9
131.08569	15.9
133.06491	6.3
133.10164	3.5
135.04420	1.9
135.08028	10.6
135.11633	3.0
143.08557	7.1
145.10121	20.2
147.08031	26.8
147.11688	1.8
149.09613	17.4
157.06467	2.1
157.10120	8.2
159.08014	3.8
159.11678	7.1
161.09578	8.7
163.11208	4.6
171.11697	4.9
173.13266	1.7
175.11243	3.1
185.13277	4.7
189.11237	5.8
195.11696	2.2
199.11101	2.2
205.12338	2.2
213.12633	2.6
223.13274	5.1
227.17966	2.4
227.90317	1.6
231.13802	1.7
237.16258	2.3
249.14893	16.9
255.17422	6.5
273.18475	43.1
291.19540	100.0
292.19910	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	4.8
55.01878	14.2
55.05511	25.9
67.05495	19.7
69.03425	7.3
69.07059	9.3
69.71495	7.5
70.02890	2.2
71.04981	3.1
74.60201	2.0
77.03934	2.5
79.05492	58.2
81.03402	4.4
81.07051	53.6
83.04961	4.6
83.08614	12.0
91.05475	34.2
93.07054	24.0
93.51444	2.2
95.04969	22.1
95.08603	17.6
97.06572	2.1
97.10179	12.6
98.23383	4.4
105.03407	3.8
105.04529	2.9
105.07015	20.8
107.04951	15.5
107.08578	18.8
109.06525	6.0
109.10178	5.4
111.08048	2.5
115.05435	3.3
117.07025	25.0
119.04941	4.6
119.08580	44.2
121.06513	27.5
121.10120	8.7
125.09602	10.5
128.06180	5.5
129.06984	9.4
131.08565	13.4
133.06499	5.3
133.10138	5.0
135.08032	9.3
135.08963	2.1
138.40987	2.3
143.08548	9.6
145.10126	23.0
147.08040	26.1
147.11681	4.2
149.09578	10.9
149.39537	2.2
157.10152	8.2
159.08087	4.2
159.11682	4.1
161.09628	9.5
163.11156	3.9
171.11601	5.3
175.11247	2.9
185.13216	4.8
189.11208	8.5
192.49567	2.3
198.13588	2.4
199.11301	3.5
203.14383	3.0
212.50264	2.4
223.13313	3.5
227.18022	4.3
245.19098	3.6
249.14867	18.7
255.17503	5.4
273.18497	37.0
291.19525	100.0
292.19958	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03952	3.5
55.01878	12.2
55.05257	1.8
55.05510	24.5
56.97860	1.2
57.03442	1.6
58.42626	1.3
65.03921	1.3
67.05507	24.1
69.03416	5.3
69.07063	10.3
71.04993	3.1
71.05998	2.6
77.03922	2.5
79.05492	53.2
81.03406	3.3
81.07056	49.7
83.04976	4.5
83.08615	12.9
85.06506	1.6
91.05478	31.8
93.07043	27.3
95.04967	21.9
95.08607	15.8
97.06512	2.0
97.10167	13.5
103.05457	2.8
105.03391	4.0
105.04512	3.6
105.07038	22.7
107.04953	21.9
107.08592	15.8
109.06519	6.2
109.10144	5.8
111.08051	2.5
115.05455	3.9
116.06219	1.5
117.07016	24.1
119.05010	6.2
119.08583	48.3
121.06509	28.1
121.10134	11.0
123.08075	4.9
125.09624	13.3
128.06267	2.4
129.07008	10.5
131.04982	1.5
131.08566	16.7
132.05728	2.0
133.06508	7.1
133.10143	7.7
135.08044	11.1
135.11646	3.1
137.09634	2.4
141.73624	1.3
143.08601	10.3
144.09378	1.9
145.06544	2.5
145.10121	20.6
147.08041	28.4
147.11624	1.7
149.09622	12.8
157.06512	2.4
157.10121	7.9
159.08051	4.4
159.11710	6.9
161.09644	9.2
163.11209	5.8
169.10219	2.0
171.11676	4.5
175.11214	2.7
185.09621	1.6
185.13239	4.0
189.11232	6.4
195.11668	2.1
199.11139	3.3
203.14404	1.6
213.12761	3.0
223.13284	4.9
227.17921	1.8
231.13728	2.6
245.19031	3.7
249.14879	19.2
255.17343	6.4
273.18484	41.2
274.19110	1.9
291.19543	100.0
292.19913	5.3
293.85770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	3.0
54.10814	1.5
55.01874	13.3
55.05260	3.0
55.05511	48.8
56.50051	1.4
57.03421	6.2
57.20975	1.4
62.77866	1.4
64.04074	1.5
65.03928	1.5
65.46773	1.6
67.05157	2.6
67.05501	37.3
69.03416	8.5
69.07065	12.1
69.81364	3.3
71.04980	4.5
77.03917	3.3
79.05492	56.4
81.03411	3.7
81.07053	57.6
83.04986	10.3
83.08623	20.9
84.17941	1.9
85.06539	3.0
91.05478	65.8
92.05771	1.9
93.07047	27.8
95.04943	12.6
95.08601	16.6
97.06506	2.9
97.10162	26.2
101.09666	1.4
105.03396	4.0
105.04515	2.4
105.07024	32.2
107.04954	19.4
107.08594	21.6
109.06512	8.4
109.10132	8.6
111.08067	4.0
115.05452	4.7
117.07019	30.2
119.04903	4.5
119.08577	72.9
119.14360	1.5
121.06509	13.9
121.10152	8.8
121.10888	1.5
123.08064	4.3
125.09628	24.3
128.06241	3.8
129.07007	13.9
131.08556	31.6
132.05719	3.0
133.06482	5.9
133.10124	9.2
135.08034	15.3
135.11655	4.5
137.09657	2.2
143.08572	20.3
145.06462	3.4
145.10123	27.2
147.08049	48.1
147.11679	3.3
149.09608	6.1
151.07512	2.0
153.09079	3.0
154.66315	1.5
155.08516	2.6
157.10101	8.2
159.08110	2.7
159.11690	9.3
161.09541	8.3
163.11183	4.5
169.10080	2.2
171.08081	2.3
171.10234	3.8
171.11601	3.6
173.09657	1.8
173.59627	1.7
175.11203	5.0
181.10141	2.9
185.13248	4.8
187.34525	1.7
189.11229	13.4
193.12285	2.3
195.11726	2.6
199.11174	1.8
199.14737	2.3
203.14325	2.1
213.12781	2.9
217.15845	2.7
227.17940	3.8
231.17451	2.2
245.18922	3.2
249.14772	6.6
255.17410	11.4
258.62827	1.7
273.18469	100.0
274.18823	4.3
291.12335	1.8
291.19534	63.3
292.19919	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	3.3
55.01871	11.6
55.05513	23.1
67.03631	2.0
67.05199	2.6
67.05512	23.6
67.45038	1.8
69.03424	5.6
69.07062	8.0
69.11638	11.5
71.04977	2.8
77.03937	2.5
79.05498	53.1
79.60435	1.7
79.73840	2.1
81.03416	2.9
81.07057	47.4
83.04984	3.6
83.08613	8.2
91.05495	28.6
93.07054	27.3
95.04982	16.3
95.08614	17.1
97.06482	2.5
97.10165	8.2
99.99837	1.9
101.13469	2.2
103.05477	3.6
105.03403	4.1
105.04568	2.4
105.07032	21.5
107.04949	23.9
107.08595	15.5
109.06510	2.6
109.10177	4.6
115.05451	3.0
116.06297	3.0
117.07028	23.2
119.04961	4.7
119.08591	35.1
121.06503	21.2
121.10134	6.6
123.08061	2.7
125.09637	7.4
128.06242	3.2
129.07014	8.9
129.54811	2.1
131.08543	10.7
132.05750	2.8
133.06497	7.8
133.10143	5.8
135.08084	6.8
135.11674	2.3
141.06960	2.4
143.08543	6.2
145.10127	17.1
147.08057	22.7
149.09621	8.6
157.10179	5.2
159.07991	2.2
159.11749	3.4
161.09613	6.5
163.11208	5.8
170.50444	1.8
171.11732	2.2
173.09749	2.1
175.11172	2.2
185.09494	1.9
187.11185	2.4
189.11221	6.6
195.11673	2.2
213.12791	2.3
223.13290	4.1
249.14806	14.5
249.86467	1.8
255.17462	6.3
273.18488	35.2
291.19550	100.0
292.19852	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03934	0.3
55.01873	1.8
55.05510	6.8
57.03436	0.5
57.07076	0.3
59.04989	0.5
65.03938	0.4
67.05499	5.3
68.83199	0.2
69.03426	1.1
69.07067	3.5
71.04986	1.0
71.22704	0.2
73.06535	0.2
73.94118	0.2
77.03915	0.5
79.05489	7.1
81.03405	0.9
81.07055	7.1
83.04990	1.0
83.08619	3.3
85.06535	0.2
91.05476	6.8
93.07037	7.3
94.04197	0.3
95.04963	2.4
95.08601	3.1
96.02249	0.2
97.06525	0.9
97.09586	0.3
97.10165	3.1
103.05461	0.4
105.03410	0.3
105.04531	0.2
105.07022	5.8
107.04950	2.6
107.08590	3.6
108.05754	0.3
108.08869	0.2
109.06513	1.5
109.10151	1.1
111.08093	0.5
115.05455	0.3
116.06259	0.4
117.07030	2.1
119.04932	1.4
119.08567	5.3
120.05743	0.3
121.06509	2.2
121.10124	1.7
123.08063	1.2
125.09628	1.3
128.06212	0.4
129.06999	1.6
129.07814	0.2
130.07771	0.7
131.08566	2.9
133.06476	2.9
133.10124	1.3
133.19476	0.2
134.07236	0.7
135.08061	1.3
135.11700	0.8
137.09596	0.5
142.07764	0.4
143.08569	1.5
145.06488	0.2
145.10115	2.5
147.08046	3.7
147.11653	0.8
149.09602	1.5
149.13303	0.5
153.09094	0.2
155.08522	0.2
157.10097	0.9
159.08064	0.2
159.11676	0.6
161.09657	1.3
161.13272	0.4
162.10387	1.0
163.11211	1.0
163.14793	0.2
165.09120	0.4
171.11694	0.4
175.11201	0.9
177.12825	0.3
183.11700	0.3
185.13329	0.5
189.11185	0.5
189.12732	0.5
192.71584	0.2
217.19426	0.3
223.13141	1.2
227.17963	0.4
227.59935	0.2
245.18762	0.3
249.14868	2.5
255.17468	0.6
259.20636	0.4
261.14886	0.4
262.15726	0.2
263.16382	0.3
267.68890	0.2
273.18515	3.2
291.19525	100.0
292.19858	4.9
292.22745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03951	2.7
55.01871	6.1
55.05511	23.0
57.03432	2.0
57.07097	1.8
63.13836	1.5
64.62166	1.5
67.05161	2.4
67.05506	38.7
69.03431	4.9
69.07066	14.9
71.04974	2.2
71.49307	1.8
79.05495	78.4
80.05841	2.7
80.31474	1.5
81.07056	62.4
82.06937	1.6
83.04985	3.8
83.08620	13.9
85.06544	3.2
91.05476	37.3
93.07047	100.0
94.07367	2.0
95.04971	12.9
95.08611	38.1
97.06535	4.7
97.10180	9.1
98.22598	3.0
99.08106	2.1
105.04496	3.1
105.07037	22.6
107.02362	1.8
107.04971	10.8
107.08593	59.7
109.06520	7.4
109.10160	18.4
111.08049	2.2
117.07035	14.6
119.04971	2.5
119.08582	32.6
121.06507	14.1
121.09260	2.8
121.10140	52.5
122.10561	1.5
123.08056	4.7
123.11698	3.8
125.09644	7.6
129.06987	7.8
131.08574	14.2
133.06479	2.6
133.10149	17.9
135.08076	7.9
135.11691	59.5
137.09627	2.7
143.08562	6.9
145.10124	14.5
147.08058	12.3
147.11697	12.0
149.09599	10.4
149.13257	36.2
149.14417	1.8
151.11169	1.7
157.10123	7.9
159.08012	2.3
159.11679	9.8
161.09583	5.2
161.13284	11.3
163.11201	6.4
163.14825	10.7
171.11696	5.6
173.09671	2.4
173.13148	3.3
175.11272	2.7
175.14835	7.3
177.12727	4.3
185.13278	7.6
189.11159	2.2
199.14862	4.0
217.15871	2.9
217.19569	2.9
221.15352	2.8
223.13255	3.5
231.17642	1.9
241.19476	7.0
244.49242	1.7
249.14838	8.0
249.18510	3.4
249.49066	1.7
255.17427	3.0
259.20590	9.3
273.18481	17.4
274.18918	2.0
291.16266	2.4
291.19543	57.7
291.23166	78.5
292.19910	3.4
292.23438	3.9
304.91748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
54.25261	1.3
55.01873	8.5
55.05510	25.0
57.03436	2.2
57.07069	3.4
65.03926	2.9
67.05158	2.4
67.05505	46.2
69.03418	2.4
69.07056	19.6
71.04996	3.0
73.06571	1.5
79.05490	85.2
81.03402	2.0
81.07052	76.0
82.07384	2.5
83.04974	3.4
83.08619	13.5
85.06538	3.8
91.05474	40.9
92.05826	1.6
93.07040	100.0
94.07378	1.6
95.04967	17.0
95.08604	34.9
97.06549	2.4
97.10186	9.4
98.23682	1.6
99.08093	1.8
105.04525	4.5
105.07027	28.0
107.04936	13.0
107.08586	57.1
108.08922	1.8
109.06516	30.0
109.10159	20.2
111.08083	2.8
116.06258	1.6
117.07022	12.7
119.04959	1.9
119.08575	29.1
121.06499	10.6
121.10136	45.6
121.29339	1.5
123.08065	4.7
123.11710	3.6
125.09638	6.9
129.07005	7.1
131.08556	12.4
133.06474	2.5
133.10143	18.1
135.08073	9.9
135.11682	51.0
136.12001	2.0
137.09601	4.3
143.08546	8.5
145.10100	13.4
147.08075	9.6
147.11691	11.8
149.09625	17.1
149.13254	25.7
151.11261	2.2
156.70039	1.3
156.87946	1.4
157.10132	5.7
159.11697	7.5
161.09596	7.5
161.13252	6.6
163.11198	8.0
163.14850	6.9
165.09061	1.5
167.10669	1.8
171.10202	1.8
171.11700	4.6
173.13263	2.6
174.76295	1.4
175.11226	3.2
175.14795	5.5
177.12744	4.0
178.08475	1.4
185.13284	5.3
187.11279	1.5
189.11200	3.8
189.12756	3.7
195.11816	2.2
195.13759	1.8
199.14806	3.4
209.15390	1.8
213.16417	2.3
217.15863	2.9
221.15395	2.2
223.13129	2.0
227.18080	2.3
229.04663	1.7
231.17334	3.0
235.16954	2.2
241.19475	4.0
249.14771	5.1
249.18428	1.8
255.17360	3.2
259.20547	7.8
273.18427	18.8
291.19516	65.3
291.23148	65.1
291.26093	9.8
292.19772	3.4
292.23404	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.0
55.01880	7.1
55.05516	28.6
57.03441	3.0
57.07077	3.7
59.05000	1.7
64.65916	1.2
65.03950	2.0
67.05509	41.7
69.03448	3.4
69.07072	21.8
71.05007	1.7
71.08654	1.5
73.06567	1.4
77.03917	1.8
79.05497	82.9
80.05849	1.4
81.03429	5.2
81.07061	74.9
82.07391	2.1
83.04993	5.0
83.08626	12.0
85.06553	2.9
91.05483	35.4
93.07050	100.0
94.07384	2.1
95.04971	14.7
95.08614	32.9
97.06555	3.8
97.10175	8.7
98.23069	1.4
99.08086	2.0
101.06037	1.6
105.04538	4.0
105.07030	26.9
107.04953	16.4
107.08600	49.9
109.06522	15.9
109.10163	13.3
111.08109	3.7
115.05460	2.1
116.06265	1.0
117.07037	15.1
119.04940	1.5
119.08584	32.0
121.06526	9.1
121.10146	41.1
121.10973	2.3
121.29250	1.2
123.08103	5.5
123.11709	3.6
125.09615	7.8
128.06221	2.1
129.07014	8.6
131.08559	13.5
133.06543	2.4
133.10126	15.6
135.08055	7.7
135.11699	48.9
136.12073	1.4
137.09654	2.2
142.07808	1.4
143.08560	7.0
145.06471	1.5
145.10132	16.4
147.08073	8.9
147.11702	11.6
149.09636	10.8
149.13284	28.0
151.11115	1.3
153.09158	1.5
157.10114	7.0
159.08049	1.7
159.11681	7.3
161.09604	6.4
161.13268	9.5
163.11205	5.7
163.14822	8.4
167.10683	1.4
171.11754	5.3
173.13274	3.9
175.11218	4.0
175.14882	4.4
177.12791	3.4
181.12300	1.4
185.13278	4.7
189.11282	2.7
189.12773	2.0
193.12289	2.1
199.14928	1.9
203.14342	2.5
213.12848	1.3
217.15804	2.0
221.15269	1.5
231.13971	1.4
231.17474	2.0
235.16872	1.7
237.16496	1.4
241.19562	4.6
245.19057	2.3
249.14778	6.5
249.18518	1.6
255.17503	3.3
259.20676	6.8
273.18506	20.1
274.18829	1.4
291.10147	1.6
291.19574	60.6
291.23221	53.1
292.20081	3.0
292.23425	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	eucatropine
Peak:m/z	Relative Intensity
53.17256	0.2
55.05513	0.8
58.84344	0.1
62.50160	0.2
67.05493	0.5
69.07063	0.2
70.81419	0.3
77.05218	0.1
81.07023	0.2
84.64222	0.1
85.30650	0.1
91.05481	1.1
92.04996	4.4
93.05796	0.9
94.06554	0.7
106.06546	1.6
109.10144	0.2
110.06112	0.2
117.05751	1.2
118.06535	14.2
119.07342	1.7
120.08097	0.9
130.06502	1.2
131.07268	0.5
132.08109	1.8
133.08885	0.3
134.09622	0.5
144.08072	0.5
145.08788	0.3
146.09599	0.8
160.11186	0.4
162.09135	12.9
163.09914	3.0
164.10701	0.4
174.10519	0.2
176.10701	0.6
176.14349	0.6
190.08592	0.4
197.84660	0.2
202.15887	3.1
203.16231	0.2
205.70181	0.2
230.15382	17.4
231.15822	0.8
246.14848	0.7
248.16409	1.1
274.17953	0.7
292.19025	100.0
293.08273	0.4
293.16037	0.3
293.19351	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95052	0.2
55.05503	1.0
55.80899	0.3
67.05508	0.6
68.53181	0.2
69.07065	0.6
70.06593	0.3
77.39083	0.2
79.05482	0.4
81.07070	0.6
83.05008	0.3
91.05480	1.3
92.04996	3.4
93.05804	0.7
94.06567	0.7
95.08624	0.3
98.06821	0.2
99.08111	0.4
106.06563	1.4
107.08560	0.4
109.10168	0.3
117.05770	0.8
118.06535	13.3
119.07361	1.1
119.08603	0.5
120.08107	0.9
120.90543	0.2
130.06532	1.2
131.07304	0.6
132.08061	1.3
133.08894	0.3
134.09648	0.6
136.06166	5.8
144.08113	0.8
146.09660	0.7
147.11641	0.3
159.08347	0.4
162.09129	12.3
163.09914	3.3
164.10631	0.5
176.10625	0.3
185.09959	1.0
192.14561	0.2
202.15916	2.4
230.15393	17.5
231.15700	0.4
248.16536	1.2
274.14505	0.3
274.17822	0.4
292.19061	100.0
293.19540	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.05033	3.1
58.06587	1.2
60.04535	0.6
62.06081	1.0
67.05502	2.7
69.03410	0.5
69.07076	1.9
69.50904	1.1
69.51299	0.6
70.06596	1.4
71.04996	0.8
72.04521	2.8
72.08157	0.8
74.06081	4.2
77.22946	0.3
79.05482	1.2
80.04990	0.6
81.07056	4.6
82.06562	0.7
84.08128	2.2
85.06531	0.5
91.05473	1.4
92.38124	0.5
93.07020	1.4
94.06571	0.4
95.08597	1.5
96.08137	0.6
98.06056	2.0
98.97517	0.4
98.98454	0.5
100.07629	1.0
105.07050	0.6
107.08588	1.1
109.06493	0.7
109.10133	1.9
110.09676	0.6
121.10118	0.5
123.11718	0.5
124.11224	0.4
133.10141	0.8
149.09644	0.6
151.11183	0.5
166.15912	0.5
168.13791	1.2
170.70317	0.4
184.16862	0.5
185.15460	0.4
194.15401	5.7
196.65715	0.4
212.16444	19.0
213.09070	0.5
213.16785	0.4
230.17509	100.0
231.17856	3.7
256.18967	0.9
257.08044	0.7
269.10657	0.4
274.17303	0.7
274.20126	10.1
274.23108	0.5
275.20468	0.7
292.11053	0.4
292.15433	1.7
292.18549	0.7
292.21521	4.1
296.70358	0.4
297.77359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61216	0.7
56.96554	1.5
58.15332	0.7
58.97078	0.6
67.05477	0.7
69.21535	1.6
69.21951	2.6
81.07058	0.8
98.97581	6.7
98.98471	1.4
101.00866	1.3
116.98627	4.2
119.01942	3.3
134.99699	1.8
137.02986	0.9
153.00833	0.9
158.99869	3.3
160.04517	1.1
177.00941	27.2
178.01047	1.9
185.01436	1.0
202.99536	0.8
203.02507	19.2
205.00421	1.7
210.99466	1.7
219.01984	11.0
220.02193	1.1
221.01770	1.9
229.00383	7.9
230.00525	0.7
230.93384	0.8
247.01489	100.0
248.01620	6.9
252.02138	0.9
256.96585	1.5
259.00052	1.9
260.00473	0.8
261.03033	4.2
262.03156	1.0
269.98511	1.8
270.03073	7.6
270.48215	0.8
270.98279	1.2
272.94577	0.8
274.97330	1.9
275.19995	1.7
277.00845	1.3
278.47308	1.0
278.97110	1.1
284.99896	0.9
290.98819	1.6
292.98572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02327	1.2
54.80702	1.4
59.07366	1.4
70.51156	3.5
75.72790	1.3
102.82433	1.5
116.61823	1.5
117.08311	1.4
118.08641	17.4
131.98451	1.3
132.02086	17.7
139.82303	1.5
156.04187	5.0
175.11909	5.3
176.01086	36.6
191.98222	1.7
194.04286	2.3
212.02806	1.3
221.06514	1.4
293.06311	100.0
293.11288	4.0
310.14752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.4
55.01870	3.7
55.05507	3.2
56.96561	5.8
57.03178	1.8
57.03437	23.5
57.07075	17.3
59.04991	3.2
61.02923	2.5
67.01865	3.7
67.05504	6.3
68.10616	1.0
69.03428	99.0
70.03755	1.2
70.06570	1.0
70.12440	2.1
70.12791	1.5
71.04984	10.7
72.08159	1.3
73.02935	1.6
73.36975	1.0
79.05507	1.6
81.03413	30.1
81.07066	2.4
83.04978	21.6
84.08148	3.7
85.02901	37.9
85.06538	25.2
86.09682	1.0
87.04470	3.2
91.05475	2.5
93.07078	2.5
95.04968	7.5
97.02889	100.0
97.06529	3.7
98.03224	1.2
98.97576	12.0
98.98491	2.1
99.04451	14.3
101.02382	1.2
101.06078	1.2
103.05470	2.5
103.07576	73.6
105.07009	1.6
109.02876	25.7
109.06507	1.1
110.07150	1.6
111.04434	8.0
113.06010	12.0
114.10319	1.4
115.03940	1.6
116.98618	6.9
119.01930	2.0
120.08083	1.3
121.06486	2.3
125.06020	1.6
127.03909	93.0
128.04257	1.2
129.05507	5.5
129.10239	1.4
131.04919	7.2
131.07039	2.2
134.99611	4.6
137.05966	1.4
139.03893	3.2
141.05447	8.0
143.01857	1.2
145.04953	60.2
146.05267	1.2
147.22830	1.2
149.06050	2.1
152.65842	0.9
153.05479	9.1
161.02974	3.2
161.07166	2.8
163.06351	1.2
173.14008	1.5
177.01077	1.4
195.06511	1.7
197.01112	1.4
203.02527	1.7
213.07573	20.8
230.11092	1.2
231.08629	13.9
234.14857	1.2
247.01469	2.9
257.09937	1.4
274.97534	10.3
275.11270	1.1
275.20081	1.9
291.75137	1.0
292.95187	1.0
292.98486	4.5
293.06366	9.4
293.11523	3.2
294.19174	1.0
297.98810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.04239	1.0
55.01873	10.0
55.05518	15.5
57.07070	1.3
65.03945	1.7
67.05510	24.8
69.03439	2.4
69.07072	12.4
69.80112	2.9
69.80499	2.5
71.04984	2.8
79.05502	28.8
81.03409	2.3
81.07060	39.2
83.04969	5.8
83.08632	8.2
85.06531	2.9
91.05485	20.0
93.07049	28.2
95.04971	12.3
95.08614	22.9
97.06525	12.4
97.10179	7.1
105.07046	22.1
107.04962	3.7
107.07922	2.4
107.08595	32.5
109.06528	13.0
109.10168	8.9
111.04428	1.2
111.08073	3.7
113.05972	1.2
117.07001	7.7
119.08569	12.6
121.06504	5.3
121.10155	10.5
123.08084	8.5
123.11788	1.6
125.09659	7.9
129.07007	1.6
131.08571	17.4
133.06517	2.4
133.10149	12.3
135.08061	9.3
135.11707	5.1
137.09641	1.7
143.08568	2.5
145.06407	1.7
145.10156	12.1
146.80835	1.2
147.07997	2.4
147.11685	8.2
149.09645	11.8
149.13257	4.4
155.08444	1.8
157.10114	4.0
159.11684	9.5
161.09641	2.5
161.13271	2.1
163.11241	5.9
165.12743	2.2
169.09999	1.4
171.11728	2.8
173.09662	1.3
173.13258	4.3
175.11169	3.6
177.12781	2.9
183.11699	4.0
187.11142	1.9
187.14742	1.5
189.11258	7.0
189.12729	1.9
191.14302	3.8
197.13400	1.4
201.12727	4.8
207.13782	2.2
215.17885	2.0
217.06348	1.4
219.08032	1.8
219.13821	4.6
223.13268	4.8
233.15292	1.7
235.07623	3.2
235.17000	1.9
239.17938	2.6
247.07458	1.9
247.20566	2.1
257.18964	10.2
262.09949	3.0
263.07062	4.4
266.34146	1.3
272.01129	1.3
275.20081	100.0
276.20361	3.9
278.09412	5.0
293.08340	2.7
293.11722	15.5
293.21106	92.4
294.21381	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	4.8
55.01661	1.8
55.01871	18.7
55.05258	2.1
55.05508	37.2
57.03431	7.5
57.07059	3.2
61.35897	1.4
65.03937	2.7
67.05502	63.5
69.03420	5.0
69.07065	32.6
70.10722	1.3
70.70959	2.0
70.71281	2.2
71.04981	5.9
75.84533	1.5
79.05488	53.7
81.03417	11.1
81.07053	100.0
83.04990	11.2
83.08611	17.6
85.06531	6.8
91.04943	2.8
91.05479	46.6
93.06453	3.0
93.07038	44.3
95.04967	49.2
95.08595	42.9
97.06531	19.9
97.10172	10.6
99.08096	2.8
105.07020	49.0
107.04963	13.6
107.08588	46.8
109.06516	20.7
109.10149	32.4
111.08067	11.2
117.07011	9.9
119.07744	2.6
119.08564	37.6
121.06498	7.4
121.10127	23.4
123.04436	2.7
123.08063	19.7
123.11708	10.0
125.09633	8.9
129.06964	4.1
131.08559	15.7
133.06572	1.7
133.10121	44.7
135.08061	5.6
135.11661	9.2
137.05980	20.2
137.09596	12.4
137.13264	1.4
139.11201	2.6
141.06949	1.6
141.09071	1.6
143.08548	4.0
145.06413	2.1
145.10106	16.3
147.07986	3.7
147.11667	19.5
149.09607	15.0
149.13229	5.1
151.11163	18.0
155.08525	1.6
157.10155	2.9
159.11697	12.9
161.09579	2.6
161.13289	5.3
163.11182	13.7
165.09061	3.7
165.12735	3.3
169.10034	2.8
169.12238	2.6
171.11679	2.2
173.09569	2.2
173.13210	7.1
175.14816	2.6
177.12703	5.4
179.14278	2.7
183.11612	3.2
185.13228	2.4
187.11113	2.1
187.14938	2.1
189.11168	3.3
193.12184	1.9
197.13231	1.8
205.12267	2.6
207.13841	3.3
215.12573	1.6
219.17429	2.7
223.13348	9.3
229.19513	4.2
237.14931	2.2
239.17952	3.6
247.20563	7.5
251.16333	2.6
257.19025	10.3
257.21249	1.8
275.20050	97.5
276.20370	3.4
293.11597	5.8
293.21057	68.2
294.21338	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	4.6
55.01870	8.8
55.05510	23.5
56.45210	1.5
56.64900	1.6
56.96552	2.1
57.03426	4.9
57.07070	2.0
65.03938	3.4
66.72254	1.5
67.05156	3.2
67.05505	52.8
69.03428	1.7
69.07069	19.6
69.16338	3.9
69.16745	6.5
71.04982	5.7
79.05043	2.9
79.05491	48.2
81.03403	8.0
81.07053	100.0
83.04974	6.8
83.08622	14.3
85.06566	2.7
91.05479	35.5
92.05856	1.7
92.25732	1.5
93.07045	36.9
95.04963	19.3
95.08601	29.2
97.06505	10.0
97.10160	6.5
98.22711	4.1
98.97504	1.6
105.07027	35.7
105.67666	1.5
107.04941	7.6
107.08584	26.5
109.06519	34.5
109.10168	14.3
111.08073	6.1
111.11636	1.6
117.07002	12.0
119.08591	28.5
121.06496	7.0
121.10156	15.4
123.08050	10.1
123.11691	6.2
125.09644	8.4
129.06973	3.3
131.08566	18.3
133.10124	28.0
135.08032	5.7
135.11703	10.7
137.09602	6.8
143.08514	4.0
145.10114	12.3
147.08058	2.7
147.11679	15.8
149.09593	16.3
149.13284	5.6
151.11176	8.0
155.08607	2.9
157.10092	5.5
159.11732	11.0
161.09589	2.3
161.13274	5.5
163.11160	13.0
163.14880	2.0
165.09081	2.4
165.12732	2.1
169.10152	2.2
171.11636	5.0
173.13336	5.3
175.11162	5.4
177.12796	4.1
187.11180	2.1
187.14818	2.7
189.11162	3.3
193.12169	3.4
197.13255	2.8
201.12723	2.4
205.12177	2.0
218.22609	1.7
219.17453	2.5
229.19542	4.3
239.17961	5.6
241.11009	2.5
247.20549	7.2
253.11194	6.1
257.18964	13.3
259.12143	2.0
271.12204	5.2
275.20047	85.0
276.20331	2.4
276.26440	1.7
293.12888	3.6
293.21021	34.6
293.27725	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	12.4
53.77125	0.9
55.01871	11.2
55.05507	27.5
57.03419	2.4
57.07053	1.2
59.04998	1.6
65.03920	2.8
67.05502	41.1
69.03435	2.5
69.07064	46.9
69.11053	0.8
69.32938	4.8
71.04986	3.4
77.03926	1.4
79.05489	52.6
80.05844	0.9
81.03415	42.2
81.03896	2.2
81.07052	47.5
82.07392	1.2
83.04989	9.9
83.08623	12.9
85.06567	2.1
86.64580	0.9
91.05476	37.6
92.05787	1.3
93.07040	31.8
95.01315	4.0
95.04960	15.0
95.08017	1.8
95.08599	28.9
97.06534	12.1
97.10165	19.5
99.08074	1.5
101.09682	0.9
103.05452	1.5
105.04491	1.1
105.07027	45.6
106.07397	1.1
107.04951	19.3
107.08588	88.8
108.08936	2.0
109.06510	6.2
109.10143	7.1
111.08050	3.0
115.05464	1.2
117.07018	10.5
119.06119	0.9
119.08574	21.7
121.06481	3.6
121.10156	9.8
123.08076	8.9
123.11706	1.9
125.09630	18.9
129.06985	2.6
131.08563	14.6
133.06551	1.1
133.10126	23.9
135.08090	5.8
135.11687	9.5
137.09641	2.8
141.06999	2.8
143.08553	2.9
145.06454	4.9
145.10127	16.2
147.11693	14.2
149.08464	1.6
149.09610	16.6
149.13258	2.8
151.11183	5.3
153.09149	1.5
155.08574	1.2
157.10110	2.5
159.08047	1.2
159.11682	11.0
161.09619	1.8
161.13287	5.7
163.11185	6.3
165.09105	2.2
167.10721	1.2
169.10120	3.8
171.10202	2.1
171.11681	3.6
173.13289	3.3
175.11136	0.9
177.12755	4.2
179.14310	16.4
181.12248	1.8
183.11714	2.6
185.13322	1.6
187.11230	4.8
189.11200	11.5
191.14188	1.1
195.13806	1.9
197.13162	1.4
205.12248	2.2
223.13258	1.5
229.19559	1.9
233.15419	1.4
239.17891	3.4
247.20668	2.4
249.82359	1.0
257.18954	9.3
262.87924	1.3
275.20053	85.4
276.20331	3.6
293.21082	100.0
294.21393	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03776	0.4
53.03944	4.2
55.01871	2.0
55.05510	5.3
57.03438	1.2
65.03934	1.2
67.05160	1.0
67.05506	15.8
69.03439	0.5
69.07070	13.1
69.32895	1.1
69.33296	1.7
71.04994	1.7
74.25885	0.6
77.03893	0.7
79.05493	30.9
80.05830	0.7
81.03419	9.0
81.07056	100.0
82.07387	1.3
83.04993	2.8
83.08606	1.7
85.06528	1.0
91.05483	13.5
93.07047	9.9
95.01327	0.6
95.04971	4.8
95.08612	9.6
97.06543	4.2
97.10170	0.8
99.08107	1.6
105.07031	15.3
107.04940	4.0
107.07916	0.4
107.08592	11.0
109.06518	51.0
109.10165	3.4
110.06837	0.7
111.08092	0.7
117.07043	4.4
119.08584	9.4
121.06509	1.4
121.10146	3.9
122.55222	0.5
123.08073	3.6
123.11704	1.4
125.09629	2.7
127.07564	1.0
129.06992	1.3
131.08583	5.7
133.10139	13.3
133.11127	0.7
135.08067	1.8
135.11702	3.0
137.09628	1.0
141.06924	0.8
143.91621	0.6
145.06502	1.0
145.10110	3.9
147.11696	8.6
149.09630	6.3
149.13292	2.5
151.11159	3.1
155.08513	0.7
157.10123	3.4
159.11671	3.8
161.13240	2.0
163.11169	3.8
163.14796	0.8
165.12749	2.1
169.10120	0.8
171.11678	1.0
173.13234	0.9
175.11206	4.2
177.12756	1.8
178.03575	0.7
179.14278	3.1
187.11197	1.2
189.11224	0.8
193.12253	4.1
197.13266	1.0
205.15828	0.6
229.19572	0.8
239.17908	1.6
240.15384	0.6
247.20718	0.8
257.18921	2.8
275.20068	38.2
276.20282	1.6
293.21094	45.2
294.21472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	6.0
55.05504	9.5
57.03421	1.3
57.07070	22.7
58.17211	0.6
60.74029	0.6
63.45164	0.8
65.03927	0.7
67.05497	13.9
68.99787	1.6
69.03420	2.9
69.07063	6.7
69.09916	4.8
71.01334	1.5
71.04975	2.2
71.08624	1.8
72.30630	0.6
79.05489	16.5
81.03420	3.2
81.07050	36.0
82.07330	0.7
83.04600	0.6
83.04985	6.4
83.08611	5.9
85.02903	1.3
85.06525	1.2
91.04938	1.1
91.05473	12.8
93.07034	12.7
95.04959	11.4
95.08595	8.9
97.06518	4.5
97.10167	2.9
99.08067	1.8
105.07019	14.9
107.04333	1.1
107.04950	9.7
107.08584	9.9
108.05704	2.0
109.02878	3.3
109.06503	7.5
109.10152	3.8
111.04433	12.0
111.08063	2.9
112.97635	0.6
117.07013	1.8
119.08565	8.1
121.06508	9.2
121.10132	6.7
123.08112	3.9
123.11699	2.4
125.05987	4.7
125.09608	2.8
127.07523	1.3
129.06978	1.0
131.08546	6.0
133.06479	1.1
133.10101	7.4
135.04425	4.0
135.07999	3.3
135.11656	3.1
136.08502	0.6
137.02344	0.8
137.09602	2.7
139.03896	1.3
139.07497	1.8
141.09023	0.8
143.08545	0.9
145.10118	6.3
147.08043	1.1
147.11700	5.9
149.09607	6.0
149.13239	1.6
151.11186	4.6
153.05447	9.9
153.09100	1.3
157.10135	1.8
159.08072	1.0
159.11700	2.4
161.09532	0.9
161.13274	1.2
163.03877	3.1
163.11172	5.5
164.11963	1.3
165.12752	2.4
167.10667	2.0
171.11691	1.1
173.09607	1.1
173.13278	1.9
175.07516	2.1
175.11168	1.0
177.09126	1.6
177.12766	2.7
181.04938	14.4
181.12210	4.2
185.13196	0.7
189.11157	1.2
189.12721	1.0
191.10646	19.8
191.14322	1.0
192.10867	0.9
193.08600	1.1
193.12187	0.8
195.10153	6.7
195.13747	1.2
203.07019	0.9
209.11702	37.7
210.12038	1.5
219.10161	4.9
219.17487	1.1
223.13344	1.1
229.19437	0.7
237.11185	67.3
238.11485	1.7
239.18018	1.0
247.20572	2.3
257.18985	2.8
265.17911	3.0
275.20038	32.0
276.20264	1.1
291.08389	1.3
293.10034	2.2
293.21060	100.0
294.21399	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.24739	1.2
53.03944	3.0
55.01889	6.9
55.05508	21.4
57.03440	19.4
57.07085	6.7
59.05006	1.6
62.75984	1.4
64.08751	1.2
64.68554	1.4
65.03945	1.6
67.05506	43.5
68.00279	1.2
69.03418	2.2
69.07068	17.3
71.04993	4.6
73.73045	1.2
77.03912	1.8
79.05046	1.7
79.05500	29.5
81.03425	6.2
81.07063	42.9
83.04969	7.1
83.08624	8.2
85.06544	7.4
90.78363	1.3
91.05487	30.1
93.07047	36.3
95.04972	13.0
95.08618	24.9
97.06541	4.6
97.10198	1.6
99.04462	6.0
105.04562	1.5
105.07034	24.6
107.04973	7.3
107.08591	22.5
109.06528	7.8
109.10168	16.8
111.04450	10.5
111.08086	3.7
117.07030	12.9
119.08597	16.3
121.06507	4.7
121.10151	11.9
123.08076	10.3
123.11700	1.8
125.09636	4.5
129.07014	3.8
131.08566	18.6
133.10139	19.5
135.08060	4.3
135.11668	8.3
137.09625	19.0
143.08569	3.6
145.10126	11.8
147.11693	5.5
149.09624	8.3
149.13281	2.4
151.11192	4.8
153.12735	2.4
159.11705	5.5
161.13225	3.2
163.11200	3.1
163.14793	2.2
165.09137	3.8
167.10677	3.8
169.10161	2.3
173.09581	1.6
173.13277	3.2
177.12822	2.8
183.11665	1.4
185.13304	4.6
191.14259	2.5
197.13298	1.5
201.16412	4.8
203.14349	3.2
209.11777	1.7
219.17450	100.0
220.17850	3.9
221.15521	2.4
223.13297	2.6
229.19536	2.7
237.11261	1.8
239.17975	2.3
247.20526	8.0
257.18964	5.2
265.21643	4.0
275.20065	43.1
275.22940	3.0
276.20517	2.6
293.21121	56.4
294.21381	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	1.7
54.80690	1.5
55.01871	63.4
55.05512	20.1
57.03432	2.0
59.05001	1.7
67.05508	23.5
69.03436	1.7
69.07068	14.6
70.97337	3.1
73.09647	1.5
75.58436	2.0
79.05491	30.5
81.07061	29.2
83.05003	7.9
83.08622	6.0
85.06541	1.8
91.05478	17.8
93.07050	18.0
95.04964	8.7
95.08617	12.7
97.06528	100.0
97.10171	4.3
105.04502	1.7
105.07034	15.4
107.04955	17.2
107.08593	18.5
109.06496	7.8
109.10133	10.8
116.31277	1.8
117.07016	5.0
119.08562	13.2
121.06497	4.2
121.10155	7.9
123.08116	3.1
123.11696	2.6
125.09602	6.1
131.08563	6.3
133.10123	9.7
135.08073	4.0
135.11659	3.2
137.09595	2.1
139.07558	3.8
145.10117	5.7
147.11678	6.6
149.09598	20.0
149.13263	3.1
151.11169	4.1
157.44208	1.6
159.11697	3.5
161.13258	3.0
163.11166	6.9
165.09009	2.3
167.10693	1.6
173.13312	2.5
175.88757	1.6
177.12744	2.8
179.14331	7.3
187.11119	2.8
189.11201	2.6
191.21254	1.6
205.19347	1.9
215.17909	2.3
229.19551	4.1
233.84837	1.9
239.17760	2.6
247.20599	5.0
257.19043	5.4
275.20065	54.8
276.20407	2.5
293.21091	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	20.8
55.01872	10.9
55.05507	45.5
62.85287	1.5
65.03941	1.7
67.05498	37.1
69.07065	16.0
69.44702	4.7
69.45106	4.6
72.60577	1.7
78.97043	1.5
79.05492	24.6
81.02966	2.8
81.03413	39.6
81.07056	36.5
83.04958	5.8
83.08617	71.8
85.06540	3.3
91.05476	23.6
93.07040	21.5
95.04963	16.1
95.08602	16.1
97.06523	7.6
98.23398	3.3
100.52451	1.7
105.07021	16.3
107.04240	3.4
107.04948	36.5
107.08590	13.7
109.06502	7.5
109.10104	2.4
111.08076	18.3
117.07046	8.5
119.08573	14.9
121.06447	2.5
121.10133	19.8
123.08054	5.0
129.07037	4.0
131.04924	2.9
131.08554	7.1
133.09212	1.9
133.10106	9.7
135.08096	2.3
135.11668	9.0
143.08539	2.5
145.06502	7.4
145.10121	23.1
147.11691	8.3
149.09607	12.1
151.11139	2.5
155.08524	7.1
159.11719	4.7
161.13231	2.6
163.11172	25.3
165.12782	9.0
173.09596	17.5
175.11037	2.4
181.12170	4.0
191.10623	8.5
209.11697	2.9
219.17355	2.0
229.19566	3.3
239.17912	2.4
257.19067	6.2
275.20090	36.4
276.20465	2.8
293.21088	100.0
294.21521	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03955	2.1
53.41919	1.2
55.01873	3.8
55.05512	14.8
57.03445	1.9
57.07067	4.9
59.29023	1.1
67.05499	12.8
69.03404	1.6
69.07087	6.7
69.43398	3.7
69.43794	2.9
71.04983	2.8
71.08627	2.1
73.32613	1.4
74.22217	1.2
75.24574	1.2
79.05479	11.0
81.03416	11.4
81.07060	13.8
83.04986	2.9
83.08627	9.3
85.02901	3.4
85.06564	1.4
87.39118	1.2
91.05480	8.9
93.07043	10.5
95.04971	100.0
95.08609	11.9
96.05325	1.5
97.06544	1.5
97.10168	5.4
105.07039	6.1
107.04953	7.8
107.08607	8.1
109.06530	4.8
109.10172	2.6
111.08103	2.6
117.07012	3.5
117.49296	1.2
119.08557	5.9
121.06525	3.6
121.10155	4.8
123.08060	3.0
125.09652	3.6
129.07043	1.7
131.08603	2.8
133.10130	3.6
135.08038	2.3
135.11679	4.3
137.09668	1.5
141.06999	1.1
141.19000	1.4
145.10115	10.6
147.08057	3.7
149.09627	9.9
151.11189	15.4
159.11717	4.0
163.11185	16.6
165.12825	2.8
177.12772	3.0
187.11176	2.7
189.11243	2.2
205.12297	4.5
205.28929	1.1
223.13287	22.1
266.67993	1.2
275.20053	15.5
291.66959	1.6
293.21118	50.9
294.21429	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.23736	1.8
53.03947	4.2
55.01865	6.5
55.05517	17.7
57.03443	21.1
59.04989	2.1
67.05511	29.2
69.03438	1.9
69.07068	20.8
69.70174	7.1
71.05000	2.4
79.05505	39.1
81.03419	4.8
81.07061	38.9
83.04974	3.3
83.08624	9.7
85.06557	10.0
91.05487	38.9
93.07050	53.3
95.04984	13.4
95.08626	24.2
97.06532	7.9
97.10166	10.6
98.22818	3.4
98.23375	3.3
105.04499	2.4
105.07043	44.9
107.04935	5.4
107.08601	49.8
109.06526	12.7
109.10138	8.9
111.08093	3.5
117.07032	14.7
119.08596	36.4
121.06521	2.7
121.10159	17.2
123.08078	5.5
125.09639	7.5
126.37156	1.9
129.07013	7.8
131.08556	17.2
133.10146	24.8
135.08028	4.0
135.11693	6.2
137.09642	3.0
143.08551	7.7
145.10115	17.0
147.08076	2.9
147.11674	21.0
149.09576	9.6
151.11218	5.3
157.10146	5.0
159.11682	20.7
161.09653	2.7
161.13266	7.5
163.11174	7.0
165.09236	2.8
171.11684	3.0
173.09579	2.1
173.13298	6.7
175.11241	3.2
175.14803	2.9
177.05443	2.2
177.12805	3.7
178.06244	2.8
183.11688	4.0
185.13289	19.9
187.11157	2.3
187.14763	2.1
189.11218	2.8
201.16432	6.1
203.14278	14.8
211.14894	1.9
219.17430	35.7
221.15379	25.6
229.19505	2.6
233.11700	5.4
239.17914	8.2
247.20590	2.3
257.18994	17.2
275.20078	100.0
276.20319	5.6
293.21069	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.91113	1.7
53.03946	3.5
55.01873	6.6
55.05518	26.8
57.03428	5.2
57.07084	2.5
67.05161	2.8
67.05507	48.1
69.03439	3.6
69.07074	31.1
69.45411	8.0
71.04991	5.7
79.05498	43.5
81.03416	7.0
81.07061	100.0
83.04985	8.4
83.08640	12.3
85.06544	2.6
91.05489	31.1
93.07046	34.9
95.04978	24.7
95.08614	31.9
97.06535	9.7
97.10158	3.2
98.22849	5.9
105.04509	2.5
105.07039	36.6
107.04960	9.5
107.08608	16.8
107.62627	1.8
109.06525	22.9
109.10164	16.2
111.08078	6.4
117.07037	9.8
119.08597	32.8
121.06507	3.4
121.10148	15.6
123.08065	15.2
123.11703	11.0
125.09636	2.8
129.07024	3.5
131.08572	15.1
133.10144	23.4
135.08057	4.5
135.11681	7.9
137.09583	9.3
145.10152	9.1
147.11684	19.6
149.09621	6.8
149.13272	2.2
151.11192	3.9
157.10153	2.5
159.11710	7.8
161.13304	3.5
163.11198	7.3
165.12769	3.6
171.11690	2.9
173.13297	6.3
175.11102	2.0
177.12741	4.2
177.53149	1.5
183.11707	2.0
185.13297	1.8
193.12256	2.9
197.13307	2.7
219.13647	1.9
221.15286	1.9
237.14911	2.0
239.17976	2.6
247.20610	3.2
257.19006	5.5
275.20059	53.0
293.17969	2.9
293.21136	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02345	0.6
55.01818	2.2
55.02058	0.7
55.05451	7.6
55.86266	0.6
57.03397	1.0
57.07020	1.7
58.46587	0.6
65.03876	0.8
67.05441	20.4
67.05823	1.4
69.03364	0.7
69.07005	15.5
69.07411	0.9
69.72736	2.3
71.04948	1.3
73.06516	0.6
77.03879	0.8
78.16027	0.7
79.05497	10.8
81.03369	1.1
81.07056	21.7
83.04984	4.4
83.08620	4.1
85.06485	0.8
88.61298	0.5
91.05478	13.0
93.07050	14.5
95.04969	5.5
95.08605	14.0
97.06451	2.7
97.10114	1.0
98.22787	0.7
100.30040	0.6
105.07034	16.8
106.44631	0.6
107.04968	4.8
107.08604	10.1
109.06528	8.1
109.10152	7.3
111.08033	1.6
117.07024	4.8
119.08595	9.8
121.06496	6.6
121.10146	5.4
123.08086	3.6
123.11629	2.5
129.06927	1.8
131.07689	0.7
131.08572	10.3
133.06432	2.4
133.10133	14.3
135.07957	2.7
135.11711	4.1
137.05920	0.7
137.09544	2.6
143.08472	1.8
145.06470	1.2
145.10141	8.4
147.07991	2.8
147.11690	7.7
149.09592	3.7
149.13152	1.7
151.11186	4.7
155.08531	1.5
157.10075	1.5
159.08046	1.1
159.11665	4.2
161.09641	3.1
161.13176	2.3
163.11183	4.0
165.12672	1.0
169.10156	0.7
171.11699	1.7
173.09590	1.7
173.13239	4.0
175.11116	2.2
175.14803	0.8
177.12717	1.2
183.11635	1.8
184.98758	0.6
185.13228	0.8
187.11052	2.0
191.14317	3.1
197.13174	0.9
199.14809	0.9
201.12679	2.0
203.14435	0.8
205.19481	1.1
207.13760	2.3
215.17882	1.6
219.13863	5.9
229.19484	2.1
233.19121	0.9
239.17844	2.1
247.20474	3.6
257.19022	13.4
258.19421	0.8
275.20071	100.0
276.20557	4.0
293.11899	1.1
293.21115	33.2
294.21338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.03171	0.8
53.03943	3.8
55.01871	12.4
55.05510	26.1
57.03430	1.8
57.07055	1.7
59.04985	1.0
65.03926	1.3
65.59003	0.7
67.05502	40.9
69.03417	3.1
69.06711	1.5
69.07065	22.3
69.58044	1.7
69.58434	1.4
71.05003	3.7
73.06541	0.9
77.03902	1.8
79.05489	39.9
81.03411	6.7
81.07053	56.3
82.07376	1.2
83.04969	6.1
83.08614	13.1
85.06537	2.2
91.05479	30.2
91.06059	1.6
93.07040	30.3
94.87729	0.7
95.04961	12.6
95.08601	27.9
97.06522	13.0
97.10159	13.0
98.23476	1.2
99.08054	1.2
103.05460	1.0
105.04496	1.0
105.07025	33.2
107.04953	8.9
107.08588	41.3
109.06516	13.4
109.10150	12.4
111.08056	2.8
111.25410	0.7
117.07034	9.2
119.06068	1.1
119.08579	22.0
121.06503	5.2
121.10133	15.3
123.08041	6.7
123.11708	6.1
125.09631	11.2
128.06207	0.9
129.07011	3.5
131.08548	12.7
133.06456	1.7
133.10117	22.1
135.08058	6.6
135.11690	6.8
137.09596	7.2
139.11134	1.3
141.06956	1.0
143.08549	2.0
143.10732	0.9
145.06537	1.1
145.10106	12.2
147.07985	1.7
147.11679	15.0
149.09610	15.4
149.13251	3.1
151.11183	6.5
153.09087	1.5
155.08577	1.4
157.10129	3.4
159.08008	1.1
159.11688	11.1
161.09639	1.5
161.13264	5.9
162.67386	0.8
163.11186	8.7
163.14790	1.5
164.09309	0.8
165.09103	5.5
165.12720	2.2
169.10207	1.7
171.10240	1.3
171.11673	3.2
173.09537	1.0
173.11919	1.4
173.13222	5.3
175.11215	1.7
175.14746	1.4
177.12773	4.2
179.10728	1.2
179.14293	1.6
181.12126	0.9
183.11787	1.6
185.13286	1.0
187.11162	2.5
189.11214	7.5
189.12679	1.4
191.14232	1.8
193.12337	1.3
197.13246	1.7
201.12778	1.7
211.14842	0.9
215.17888	1.0
223.13371	1.1
229.15906	1.0
229.19505	3.1
231.17577	0.9
233.15225	0.9
239.17979	5.9
247.20546	6.3
257.18979	13.2
265.21490	2.1
275.20047	100.0
276.20364	4.7
293.21085	29.7
294.21280	1.9
294.24341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.33249	1.7
53.03961	1.9
55.01865	4.8
55.05517	21.4
57.03438	19.4
57.07075	5.1
67.05509	31.5
69.07065	14.6
69.87183	4.5
71.04988	2.5
77.03935	2.2
79.05501	40.2
80.23792	1.6
81.07062	39.0
83.04976	7.9
83.08620	13.6
85.06554	5.2
91.05486	34.1
93.07055	44.8
95.04977	27.3
95.08617	26.3
97.06527	7.9
97.10184	9.9
98.23126	5.3
99.08094	1.7
105.04527	2.3
105.07041	38.9
107.04955	7.9
107.08600	38.2
107.09340	2.0
109.06525	9.5
109.10146	10.4
111.08109	4.2
117.07023	9.4
119.08604	24.6
121.06530	3.5
121.10159	15.2
123.08063	5.3
123.11731	1.9
124.34322	1.6
125.09644	6.7
129.03322	1.9
129.07010	5.6
131.08586	13.9
133.10130	20.4
135.08076	4.1
135.11699	7.2
137.09657	4.3
143.08560	6.1
145.10146	14.6
147.08000	1.8
147.11679	19.4
149.06236	2.0
149.09612	13.8
151.11179	5.7
157.10182	5.3
159.11703	14.3
161.09668	2.9
161.13264	7.0
163.11186	12.8
165.08932	2.4
167.10641	2.3
169.10123	3.0
171.11678	3.3
173.13306	7.3
175.11183	3.6
175.14819	2.2
177.12773	5.2
181.12230	1.6
183.11739	2.2
185.13248	11.0
189.11234	5.5
197.13310	3.1
201.16391	4.4
203.14307	12.6
209.11742	4.1
219.17444	24.2
221.15356	13.4
223.13312	10.4
229.19417	4.2
237.11189	5.8
239.17961	4.6
247.20645	4.9
257.18924	14.7
275.20078	100.0
276.20554	3.5
285.63904	1.8
293.21140	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01870	7.4
55.05509	21.0
57.07068	3.2
67.05500	14.7
69.07058	5.7
71.04972	3.8
71.12916	1.8
79.05492	12.6
81.03421	5.0
81.07047	16.0
83.04969	3.4
83.08614	8.6
85.02889	2.7
91.05476	9.8
93.07040	13.2
95.04963	100.0
95.08616	11.6
97.06535	2.1
98.22852	1.9
105.07017	9.6
107.04955	10.0
107.08582	7.6
109.06504	5.8
109.10140	4.5
111.08086	2.9
117.07002	3.5
119.08601	8.3
121.06485	5.6
121.10158	4.4
123.08052	3.9
125.09626	2.7
131.08571	4.6
133.10175	3.4
135.08035	3.1
135.11703	3.3
137.09657	1.5
143.08577	1.9
145.10088	8.5
147.08026	4.5
147.11600	1.6
149.09619	11.2
151.11168	4.4
154.58287	1.6
159.11629	2.3
163.11174	14.8
165.12755	2.8
187.11140	2.4
189.11227	1.7
205.12300	3.3
223.13303	23.2
237.11200	1.8
257.19168	2.7
275.20050	18.6
293.21082	53.5
294.21301	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.90849	1.7
51.02367	1.7
53.03951	2.9
55.01871	5.0
55.05517	27.7
56.96571	4.6
57.03444	18.3
57.07087	2.5
58.14721	1.6
58.54708	1.6
59.05005	2.1
65.03944	2.2
67.05507	52.6
69.03434	18.1
69.07072	17.3
70.51981	2.6
71.04994	23.9
77.03924	1.9
79.05499	52.3
79.60219	1.4
81.03426	4.0
81.07060	74.8
83.04983	6.6
83.08627	14.3
85.06554	5.6
91.05482	53.7
91.06052	2.0
93.07052	58.5
95.04964	12.2
95.08613	48.4
97.06539	14.7
97.10160	5.3
98.97604	4.9
99.08088	2.6
105.07035	46.4
107.04984	8.5
107.07904	3.4
107.08588	31.9
109.06520	16.6
109.10160	17.7
111.08072	15.1
113.06028	2.3
115.05506	2.0
116.98563	1.8
117.07033	20.0
119.08591	36.5
121.06528	3.5
121.10143	21.7
123.08078	17.6
123.11720	2.8
125.09626	5.4
128.06258	1.5
129.07007	6.9
129.48415	1.5
131.08578	30.9
133.10136	26.8
135.08069	7.4
135.11716	11.4
135.27449	1.6
137.09628	7.5
143.08571	4.5
145.10132	19.3
147.11700	20.8
148.11935	1.8
149.09616	13.8
149.13336	2.7
151.11195	5.8
157.10161	6.3
159.11681	19.1
161.09608	2.2
161.13272	8.5
163.11208	9.1
165.12741	3.9
169.10147	2.6
171.11682	4.7
173.13261	14.1
175.11205	3.6
175.14844	2.5
177.12753	6.4
183.11726	2.2
185.13243	8.6
187.14825	9.5
189.11186	2.3
189.12668	3.5
189.16476	2.1
191.03761	1.9
191.14259	3.2
193.05316	3.5
197.13342	4.7
201.16403	5.2
203.14304	5.8
205.15862	24.5
211.06444	7.2
219.17480	10.6
221.15408	6.1
229.19493	4.6
231.24049	1.6
233.15274	2.0
239.18019	6.1
247.20663	6.9
257.19098	12.4
275.20074	100.0
276.20416	4.1
292.27423	4.6
293.10718	4.5
293.17810	3.1
293.21085	26.8
293.27756	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.81781	1.8
52.88932	1.7
55.01872	4.3
55.05509	21.1
57.03431	3.3
57.07064	2.1
59.04958	2.0
64.25906	2.0
65.03913	2.6
67.05498	50.7
69.07062	17.7
71.04984	5.7
79.05486	31.2
81.03404	3.1
81.07051	45.4
83.04993	5.5
83.08623	10.7
83.09033	1.7
85.93825	2.0
91.05472	35.0
93.07033	26.8
95.04957	10.9
95.08598	27.6
97.06529	5.9
97.10150	2.8
105.07025	39.1
107.04952	10.1
107.08587	18.9
109.06508	10.0
109.10139	17.7
111.08100	2.2
117.06998	11.8
119.08575	28.3
121.06499	4.1
121.10135	14.4
123.08089	3.9
123.11739	4.8
125.09571	2.2
128.81883	2.1
129.07010	2.6
131.08565	18.1
133.10112	32.2
135.08049	9.7
135.11679	5.7
137.09592	6.8
141.07010	2.0
145.10146	13.5
147.11673	28.4
149.09596	11.8
151.11130	2.1
155.08516	1.8
159.11661	13.0
161.13257	8.3
163.11142	6.0
163.14809	2.5
165.43857	1.9
165.62109	2.2
169.10094	2.2
171.11681	2.5
173.13242	8.5
177.12808	3.2
197.13135	2.9
203.12740	2.3
219.17336	2.5
223.13281	2.9
229.19537	2.8
231.79953	1.9
237.11255	2.5
239.17914	3.5
247.20555	5.7
257.18970	6.4
262.36005	1.7
275.20038	100.0
276.20340	5.4
293.21060	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03925	1.6
55.01865	2.2
55.05508	13.7
57.03441	1.3
57.07070	2.8
59.04992	0.9
60.78253	0.8
63.85514	0.8
65.03942	2.3
67.05502	98.4
68.05867	1.1
68.14362	0.9
69.07061	11.1
69.64967	0.8
69.65298	3.0
73.05464	1.0
73.06555	1.1
79.05491	18.6
81.03416	1.7
81.07054	100.0
82.07381	1.4
83.04985	2.6
83.08617	10.1
85.06555	2.6
91.05469	9.4
93.07034	18.1
95.04967	19.0
95.08603	85.6
96.08964	1.4
97.06529	3.3
97.10156	4.1
99.08096	2.0
101.06003	1.8
105.07039	7.4
107.04976	1.8
107.08590	13.7
109.06532	4.0
109.10152	35.1
110.10521	1.3
111.04467	1.6
111.08073	2.1
117.07028	3.1
118.12267	0.9
119.08570	8.1
119.75993	0.9
121.06493	1.7
121.10139	9.9
123.08050	3.3
123.11700	21.5
123.12531	1.6
125.09608	2.7
131.08559	8.4
133.10117	5.0
135.08029	2.8
135.11714	8.9
137.09639	3.2
137.13257	12.2
139.11159	1.2
140.88060	0.9
141.09195	1.0
145.10138	7.2
147.11671	7.1
149.09618	5.8
149.13205	4.5
151.11192	3.8
151.14812	5.9
159.11685	7.7
161.13234	4.1
163.11163	7.8
163.14828	3.3
165.12776	3.3
165.16457	1.6
171.11658	1.1
173.13202	7.4
173.81964	0.9
175.14781	2.1
177.12770	4.8
177.16365	2.5
179.14352	2.0
181.12192	1.6
187.14818	4.3
191.10666	1.0
191.14349	3.7
195.13846	1.1
205.15869	1.1
209.11743	2.4
209.15314	1.7
219.21115	1.0
223.13275	5.7
223.16861	2.2
233.22716	1.5
237.11188	3.6
237.18481	1.1
243.21153	7.4
251.20033	1.2
256.54306	0.9
257.19119	1.0
261.22131	8.7
275.20053	10.5
293.21082	15.7
293.24734	20.2
294.25092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.5
55.05513	14.7
57.03433	5.9
57.26401	2.7
60.04554	3.4
67.05505	38.2
69.07082	15.6
69.48589	3.3
69.48927	12.3
70.06580	3.7
71.01334	2.9
71.04997	9.5
72.08168	3.1
73.02917	4.0
79.05507	35.5
81.03429	7.8
81.07058	29.5
83.04984	10.3
83.08636	6.1
84.08138	3.3
85.02895	7.5
85.06538	16.7
91.05476	20.6
93.07057	41.8
95.04999	18.9
95.08600	21.1
96.04535	3.3
97.02895	13.7
97.06561	9.4
97.10165	4.0
98.22700	5.5
99.04471	3.9
105.07046	9.4
107.04969	14.0
107.08605	25.3
109.06540	4.9
109.10161	19.5
111.04457	17.9
111.08093	5.7
114.76572	3.1
115.03959	5.5
117.07032	9.7
119.08611	15.6
121.06553	4.9
121.10162	34.0
125.06001	4.7
125.09637	4.5
131.08560	16.1
135.11716	18.3
137.09636	4.6
139.11182	7.1
145.10152	22.1
147.08095	5.5
149.09654	18.8
154.12306	3.9
155.10641	9.2
163.11169	21.5
167.10709	14.2
168.85339	3.8
169.15025	3.3
172.13399	5.0
173.09596	9.8
173.11728	29.6
181.12279	7.1
185.11826	7.3
187.13293	6.1
191.10645	32.8
199.13338	11.3
209.11739	100.0
217.14459	5.0
223.13304	4.5
227.12794	66.6
241.14340	9.1
244.15469	8.7
278.17902	4.0
294.09207	4.0
294.14185	4.4
294.17062	8.2
294.19821	26.0
295.15115	10.2
295.20026	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
55.05513	13.4
57.03436	6.7
59.04984	3.3
67.05501	37.0
69.03429	5.4
69.07051	13.5
71.04995	12.7
79.05489	32.3
81.03405	10.9
81.07054	30.4
83.04994	10.2
84.08134	3.3
85.02882	5.3
85.06548	13.8
86.09705	3.0
87.04472	3.2
91.05471	21.3
93.07042	39.5
95.04965	14.6
95.08596	15.5
97.02892	18.0
97.06527	12.2
97.10136	2.8
105.07033	9.3
107.04955	14.6
107.08593	25.3
109.06510	4.0
109.10141	18.4
111.04417	13.7
115.03937	3.7
117.07005	8.2
119.08579	9.6
120.08153	2.5
121.06520	6.6
121.10141	44.5
123.08041	4.8
123.11665	3.4
125.05968	3.8
131.04893	3.0
131.08574	16.1
133.10139	6.3
135.08008	5.1
135.11697	18.3
137.09682	6.1
138.52563	2.4
139.11172	6.8
145.10109	19.3
147.08090	3.8
149.09592	14.9
154.12335	3.8
155.10641	6.5
163.11176	21.4
167.10715	13.0
172.13239	4.5
173.09624	11.1
173.11734	26.4
181.12192	8.9
185.11772	4.5
187.13359	6.3
191.10666	30.0
192.10921	4.9
199.13318	12.2
209.11720	100.0
210.12103	3.7
226.14464	3.1
227.12737	74.7
241.14313	8.0
244.15446	9.1
271.08325	3.2
294.08597	3.0
294.13965	5.5
294.17023	5.7
294.20084	16.9
295.09506	3.9
295.15237	14.4
295.18781	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05261	1.6
55.05510	27.8
57.03417	3.7
59.05002	100.0
60.89995	1.1
65.24569	1.1
66.04128	1.2
67.05500	10.9
69.03426	2.7
69.07059	5.7
69.32182	5.5
70.06602	1.8
71.04998	8.9
75.20667	1.2
79.05490	9.1
81.03414	2.3
81.07053	11.3
83.04974	3.2
83.08610	10.6
85.02892	3.5
85.06553	1.5
87.04464	37.6
89.06005	2.2
91.05470	4.4
93.07050	8.1
95.08592	3.4
97.06531	2.3
97.10161	17.2
98.23358	2.2
99.04445	4.0
105.07030	1.9
107.08588	7.7
109.10160	4.7
111.04442	1.8
117.05503	1.2
119.08568	1.6
121.10124	2.9
125.09640	12.5
130.08615	1.3
135.11700	1.9
145.10114	2.1
149.13205	9.4
155.10686	2.3
161.43471	1.2
163.11142	3.9
167.14328	2.9
173.11742	5.7
181.12244	1.2
184.16927	3.2
209.20888	1.5
266.21124	5.2
276.20349	2.4
276.23157	1.9
294.13766	3.5
294.17294	4.5
294.20706	10.7
294.24274	10.2
295.15170	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
53.88354	2.1
55.01878	14.9
55.05512	83.9
55.05782	4.0
57.03443	14.3
59.05001	75.3
67.05503	32.1
69.03431	8.4
69.07060	17.1
71.04993	36.1
71.08627	6.4
73.58607	2.2
79.05499	26.1
81.03421	9.3
81.07053	29.1
83.04987	13.1
83.08618	39.0
85.02898	13.6
85.06542	2.3
87.04469	100.0
89.06021	8.5
91.01918	2.4
91.05478	12.4
93.07045	21.2
95.04973	7.3
95.08589	14.2
97.02918	2.7
97.06534	7.0
97.10169	75.4
99.04444	29.5
99.08087	7.8
100.11246	4.3
101.06020	2.9
105.07046	9.9
106.07407	3.0
107.04925	4.6
107.08596	23.9
108.08913	3.2
109.06496	2.8
109.10167	7.0
111.04431	6.3
111.08102	3.1
115.03956	2.6
117.05502	8.4
117.07009	3.9
119.08556	7.4
121.06451	2.3
121.10123	9.1
123.08089	3.2
125.09624	57.6
129.07045	2.7
131.08609	9.0
133.10120	4.6
135.11679	8.8
143.10648	5.4
145.10165	10.5
149.09579	4.7
151.11174	4.5
153.12738	8.6
155.10698	2.6
157.10107	2.7
161.13251	2.4
163.11156	16.9
165.53828	2.6
168.11575	2.5
168.17485	9.4
173.09686	3.8
173.11697	9.6
189.11209	3.9
195.08066	6.6
208.05241	5.5
223.07483	6.7
229.09210	2.6
246.25533	2.4
248.16325	3.3
251.06938	7.3
259.20398	2.6
263.07095	3.0
265.04968	6.7
265.08481	3.7
276.20462	5.7
277.21539	11.3
277.51349	3.0
279.06525	8.1
294.05243	11.9
294.08743	37.9
294.13171	20.1
294.17062	6.8
294.21341	4.6
294.24329	9.6
295.05823	6.6
295.09198	5.7
295.15152	12.7
295.23563	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01871	2.6
57.03145	1.8
57.03435	52.2
59.04987	3.3
60.04525	5.4
61.02920	13.6
69.03426	61.5
69.52825	1.2
71.01350	8.3
71.05013	1.4
71.46500	1.0
72.16544	0.9
73.02914	100.0
79.05517	1.1
79.76700	1.0
81.03414	6.9
81.07058	1.3
85.02901	75.1
86.09718	1.1
87.04460	10.1
91.03922	1.4
91.05466	2.5
93.07029	2.5
94.06634	1.1
95.04944	1.1
97.02888	75.6
97.06538	1.9
98.03222	1.6
99.04443	3.5
102.05543	2.4
103.03896	2.1
103.05444	1.4
107.04923	1.4
109.02882	6.2
115.03928	71.0
120.08097	28.1
123.04417	1.7
126.71852	1.2
127.03903	17.6
133.04956	25.6
133.05923	1.9
136.07573	3.6
145.04962	17.5
151.03957	2.1
157.05096	1.0
163.05988	5.4
166.08635	13.6
211.06050	1.4
223.05986	2.5
241.07048	4.8
259.08069	2.6
264.14047	1.4
294.09457	1.2
295.05960	1.5
295.16519	1.8
295.20444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03933	1.4
55.01864	2.1
55.05504	1.0
57.03433	23.3
59.04993	4.1
61.02923	2.5
67.05499	1.9
69.03425	100.0
70.03756	1.7
71.01356	2.3
71.04983	3.5
73.02911	7.1
74.71440	0.5
75.04485	2.6
79.05482	1.5
81.03416	17.1
81.07056	1.0
83.01333	0.7
83.04991	2.5
85.02900	60.7
87.04464	43.6
91.03923	0.9
91.05453	0.8
93.07028	1.2
95.04981	3.1
96.67343	0.6
97.02888	59.0
97.06538	1.1
98.03225	0.9
99.04447	14.0
101.02393	1.6
103.03938	8.3
107.04979	1.8
109.02873	6.0
111.04424	2.7
113.02339	0.8
115.03925	52.3
117.05505	1.7
120.08100	1.0
121.06503	1.0
123.04401	3.5
125.02409	0.9
127.03912	11.6
129.05472	0.6
133.04961	53.0
135.04459	1.2
136.07600	1.6
137.06015	1.1
139.03905	2.5
141.05490	0.7
143.03412	0.8
145.04951	21.9
147.04483	1.1
149.05969	0.6
151.03912	6.6
157.04999	1.4
161.04497	2.5
163.03929	0.9
163.05931	0.8
165.05486	1.3
169.04945	6.1
175.06174	1.0
181.04945	0.9
187.06056	1.7
193.04962	0.9
199.06017	1.1
211.05968	1.5
223.05997	1.0
229.07077	2.3
240.76035	0.7
241.07129	4.7
259.08182	2.4
277.09152	5.7
277.16312	0.9
295.05768	1.1
295.11044	1.2
295.16660	3.7
296.18506	1.1
314.16479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.03914	0.5
56.05036	1.3
57.03438	2.7
57.65604	0.5
61.02928	3.7
67.05486	0.6
68.63982	0.5
69.03425	6.3
69.07064	3.8
71.01346	0.6
71.04985	3.6
71.45485	0.5
72.08162	0.7
73.02910	2.9
74.00683	0.6
79.05466	1.1
81.03406	2.2
81.07069	0.8
84.04501	31.2
84.08109	0.6
85.02901	31.6
86.09696	2.7
87.04454	1.5
87.08109	5.0
91.03957	1.8
91.05473	3.4
93.07030	1.5
93.15195	0.5
97.02888	8.1
98.13536	0.5
99.04427	1.8
99.08080	4.2
102.05548	0.7
103.05456	7.4
104.99283	0.5
106.06550	1.3
107.04945	3.1
109.02866	2.1
115.03922	2.0
117.09123	9.8
119.04923	2.1
119.08569	0.6
120.08096	100.0
121.06485	0.6
121.08445	2.2
126.80067	0.5
127.03910	7.3
130.04980	5.8
131.04918	4.8
133.02844	2.3
133.04984	0.6
133.07574	1.0
134.08139	1.0
134.09625	1.9
135.22963	0.5
136.07561	10.9
138.56477	0.5
145.04955	9.3
149.05934	1.8
150.07748	7.3
151.03841	0.9
158.06035	0.6
163.06038	1.5
166.08626	46.3
167.08987	0.9
178.12262	1.3
179.03419	1.3
186.09122	6.4
232.09674	5.5
268.06281	0.8
271.58160	0.5
277.11624	0.7
278.10168	5.9
295.07843	2.3
295.12900	6.7
295.16867	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
53.03947	0.3
55.01870	0.7
57.03446	1.6
61.02922	1.7
65.03915	0.3
69.03071	0.4
69.03427	4.0
69.07061	2.3
70.06585	0.6
70.45215	0.6
71.31622	0.3
73.02923	1.4
74.02424	0.5
79.05478	0.3
79.16362	0.2
79.89734	0.3
81.03404	0.9
81.07060	0.8
84.04496	0.3
84.08160	0.3
85.02903	14.6
86.09700	5.0
87.04445	0.7
87.08102	0.9
91.03954	0.8
91.05477	20.1
93.07057	0.4
97.02891	4.1
99.04427	0.7
99.08081	0.4
107.04940	0.8
107.08549	0.3
109.02845	1.5
109.06522	0.7
115.03926	0.8
117.09133	1.4
118.06550	0.8
119.04939	15.4
119.29538	0.3
120.08102	1.2
121.06516	2.5
122.05991	0.3
127.03905	3.5
130.08583	0.7
132.10196	2.1
136.07570	100.0
137.07951	2.2
140.07085	0.6
145.04948	4.3
147.04369	0.5
147.39670	0.3
148.11241	0.3
149.02267	0.3
150.07733	0.5
151.03923	0.7
161.10715	0.5
163.06027	0.9
168.06546	0.5
169.23798	0.3
233.71806	0.3
236.12686	0.4
249.13469	0.3
249.15996	1.1
250.14418	0.9
277.11783	0.5
278.13937	1.2
295.13153	0.5
295.16531	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01863	6.1
55.05507	3.7
57.07082	0.7
67.05506	4.5
69.03423	0.5
69.07067	2.7
69.71301	0.9
71.08631	0.5
77.03930	0.4
79.05501	4.3
81.07058	29.2
82.07394	0.5
83.04979	1.3
83.08617	1.7
85.06543	0.5
91.05476	1.5
93.07047	4.0
95.04943	0.5
95.08611	4.6
97.06513	0.8
97.10130	0.4
98.22230	0.5
101.09646	0.7
105.07021	2.1
107.08586	3.7
109.06519	11.0
109.10145	2.1
111.04444	11.1
111.08073	0.7
117.63621	0.4
119.08570	3.2
121.10146	3.3
123.08067	1.3
123.11732	1.7
125.05975	4.0
131.08583	1.1
133.10103	3.2
135.08046	1.9
135.11697	3.9
137.05977	100.0
137.13255	1.5
138.06319	1.5
143.08571	0.6
145.10078	0.7
147.08046	1.2
147.11700	4.4
148.65218	0.4
149.09578	2.3
149.13239	1.2
151.07552	2.1
157.10110	0.6
159.11661	0.7
161.09621	4.7
161.13248	1.8
163.11235	2.1
163.14789	0.6
165.09100	1.5
165.12755	0.5
167.10617	0.8
171.11691	0.6
174.16580	0.5
175.11177	3.7
175.14841	0.9
179.10658	1.8
181.12146	0.8
182.02948	0.4
189.12762	1.2
193.12219	1.2
197.13338	0.5
203.17947	4.8
213.16393	2.6
221.18997	1.8
231.17442	7.6
241.15800	1.2
249.18521	11.4
277.17984	55.2
278.18301	2.5
295.16086	0.5
295.19141	5.8
295.22375	0.5
314.28571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.70628	0.7
53.03959	0.8
55.01618	1.1
55.01872	13.9
55.05512	7.4
57.07066	1.6
67.05160	0.8
67.05502	10.5
69.03430	1.4
69.07059	5.7
70.06853	1.6
70.07176	0.7
71.04957	0.9
71.08624	2.3
79.05496	7.0
81.03397	0.8
81.07056	31.2
82.07379	1.2
83.04959	4.0
83.08615	4.6
85.06546	0.7
91.05472	5.2
93.07044	6.9
94.85876	0.6
95.04940	1.5
95.08611	7.0
97.06524	2.2
97.10152	1.4
105.07029	4.2
107.08583	5.9
109.06522	11.6
109.10152	2.9
111.04433	12.9
111.08070	10.2
117.06977	1.0
119.08604	4.8
121.10148	4.6
123.08067	2.1
123.11682	2.3
125.05975	3.7
125.09669	0.9
129.07018	0.8
131.08571	2.5
131.33278	0.6
133.10114	6.0
135.08064	2.6
135.11676	4.9
137.05977	100.0
137.09592	1.9
137.13228	1.3
138.06331	2.4
139.11154	1.0
143.08485	1.1
145.10115	2.7
147.11710	5.2
149.09659	3.9
149.13251	2.9
151.07535	2.5
151.11183	2.8
157.10133	1.6
159.11713	0.9
161.09627	4.3
161.13254	3.0
163.11224	3.0
163.14865	0.9
165.09096	1.8
165.12782	2.2
171.11684	1.3
173.13152	0.8
175.11174	4.7
175.14821	1.1
178.82809	0.6
179.10680	2.0
181.12263	1.0
189.11182	0.7
189.12756	1.3
193.12216	1.7
203.18010	4.5
213.16362	1.9
221.15501	0.9
221.19006	2.2
231.17416	9.0
231.21007	0.8
241.15828	1.4
241.19507	0.7
249.18492	10.9
259.20520	2.3
277.17990	50.7
277.21561	12.1
278.18414	2.3
278.21634	0.8
295.13281	1.0
295.19025	6.7
295.22641	8.5
296.25595	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03940	3.6
54.45537	2.9
54.64226	2.4
55.01863	3.1
55.05506	20.3
57.03415	4.5
57.07072	33.5
59.84425	2.4
63.08022	2.5
67.05497	32.0
69.07056	19.3
70.71007	4.1
71.04961	3.3
71.08614	5.9
78.84219	2.4
79.05492	28.6
81.03404	14.4
81.07054	33.2
83.04975	12.8
83.08626	6.3
85.10179	79.2
91.05481	34.8
93.07032	27.0
95.04996	13.1
95.08591	29.5
97.06516	7.3
97.10165	6.9
99.08096	5.5
105.07023	21.0
107.04948	26.2
107.08584	20.4
109.06517	4.0
109.10171	7.1
111.08070	6.6
113.09639	100.0
119.08561	11.5
121.10130	7.3
122.93049	2.6
123.08060	6.3
129.06985	4.6
131.08560	4.0
133.10135	8.1
135.11662	7.4
137.09569	2.9
143.08514	3.6
145.10138	5.6
147.11702	13.0
149.09622	11.7
149.13235	8.9
151.11172	4.7
161.13243	10.0
162.16359	3.0
163.11189	16.7
165.12746	53.6
167.14284	3.2
171.11615	3.5
172.99754	2.4
175.11098	12.2
175.14804	6.5
179.14314	3.2
181.12367	5.2
193.12268	2.8
207.13812	4.6
241.19534	5.3
249.22130	3.0
259.20557	7.7
277.21622	61.7
279.23013	2.6
294.57312	2.9
295.22769	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	12.7
55.01867	6.2
55.05510	20.5
57.03424	1.2
57.07067	4.6
65.03945	1.1
67.05505	41.3
69.03439	1.1
69.07065	35.0
71.04972	3.1
71.08640	5.2
79.05492	31.6
81.03414	56.5
81.07053	37.7
83.04977	18.1
83.08612	11.5
85.06561	1.9
85.10152	1.1
91.05477	19.1
93.07043	33.8
95.04966	31.8
95.08601	16.5
97.06522	3.9
97.10155	6.0
99.08099	1.4
105.07027	18.7
106.07334	1.0
107.08582	24.1
107.09257	2.1
109.06499	8.2
109.10146	11.1
111.08083	4.4
117.07021	4.0
119.08575	8.1
121.06534	1.4
121.10132	11.1
123.08050	4.9
123.11723	5.6
125.09636	9.6
129.07031	3.2
131.08556	5.0
133.10126	12.9
135.08069	2.9
135.11708	9.9
137.06001	1.5
137.09654	1.5
137.13202	2.0
143.08551	3.1
145.10150	2.3
147.11673	11.1
149.09705	1.2
149.13228	10.1
151.11172	29.3
153.09190	2.3
153.12672	1.3
157.10129	2.5
159.11714	1.7
161.09633	1.5
161.13257	15.9
163.11154	1.3
163.14824	4.0
165.12738	4.8
167.10640	1.3
171.10263	1.5
171.11682	3.5
173.13214	4.6
175.14825	3.9
177.12755	3.2
177.16373	1.2
179.10657	1.5
179.14320	4.1
180.96284	0.9
181.12238	1.4
185.13266	4.1
189.11174	2.7
189.12762	2.4
193.12155	1.3
199.14799	2.1
207.13828	3.9
217.19563	1.5
219.53169	1.0
221.15366	3.2
231.17441	2.1
231.21034	6.0
235.16884	2.4
241.19530	8.4
249.22073	4.9
259.20514	7.0
277.21616	100.0
278.21964	4.8
279.23190	1.4
295.22797	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	3.0
55.01869	8.0
55.05519	28.1
57.03434	6.1
57.07063	3.3
59.05000	1.7
65.03926	2.6
67.05511	75.9
69.03426	2.7
69.07073	47.8
69.47202	7.5
71.05002	10.3
71.08635	57.1
73.06560	1.6
77.03944	2.4
79.05501	43.5
81.03416	5.8
81.07061	57.5
83.04979	10.3
83.08615	11.6
85.06523	4.3
91.05479	27.0
93.07050	68.1
95.04972	11.0
95.08611	100.0
97.06544	13.4
97.10170	7.4
98.22777	3.7
98.23445	3.9
99.07452	3.0
99.08104	54.3
105.04539	1.9
105.07036	20.7
106.31410	1.6
107.04986	4.8
107.08604	24.1
109.06514	4.7
109.10186	9.7
111.08060	4.9
111.11704	3.2
113.09624	2.8
117.07021	6.6
119.08585	22.3
121.09285	2.1
121.10146	32.5
122.10438	1.7
123.08092	6.1
123.11780	4.0
125.09644	6.9
129.07005	2.1
131.08549	6.0
133.10117	17.2
135.11713	22.5
137.09619	5.5
137.13237	1.6
139.11194	10.4
141.12723	3.8
143.08569	5.0
145.10117	8.2
147.11694	14.0
149.09644	3.0
149.13261	8.7
151.11186	41.7
157.10193	2.1
159.11668	4.7
161.13274	24.2
163.11183	22.9
163.14845	2.5
165.12752	4.2
171.11755	5.8
173.13231	2.8
175.14909	3.0
179.14305	17.5
185.13257	4.7
186.25641	1.6
187.13232	1.8
189.12787	3.7
195.13797	2.3
199.14795	3.3
200.30711	1.9
203.12762	5.8
221.15266	3.5
241.19588	9.0
249.22070	2.7
259.20590	21.5
277.21631	86.6
278.21902	3.5
295.19208	1.6
295.22565	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.87538	1.4
53.03942	3.9
55.01622	1.4
55.01870	9.4
55.05513	83.1
57.03420	2.0
67.05505	42.0
69.07069	21.8
69.71268	5.7
69.71624	1.7
71.04983	2.8
73.34526	1.2
73.51942	1.3
79.05489	23.7
81.03416	7.7
81.07054	44.8
83.04986	6.0
83.08621	100.0
85.06532	4.4
91.05472	27.8
93.07043	21.2
95.04970	10.0
95.08607	18.7
97.06522	7.5
97.10169	4.4
98.23385	2.3
98.63364	1.6
99.08090	3.6
105.07027	22.9
107.04977	1.8
107.08591	14.8
109.06517	7.7
109.10169	8.3
111.08085	25.6
111.33767	1.3
113.06013	2.2
113.70167	1.3
117.07022	3.0
119.08582	15.4
119.24639	1.5
121.10153	14.5
122.10447	1.2
123.08085	3.0
123.11736	4.0
125.09613	2.1
127.07561	1.6
129.07027	6.9
129.09102	3.9
131.08559	9.1
133.10130	31.9
135.11714	8.9
137.09581	1.4
139.11168	13.4
141.78595	1.3
144.27231	1.3
145.10135	4.8
147.11685	21.9
149.09569	7.0
149.13249	23.4
151.11188	10.3
157.10139	10.2
159.11705	4.1
161.13278	6.8
163.11220	2.0
165.12769	15.6
167.14296	4.0
171.11720	3.1
173.13312	2.5
175.11220	10.5
175.14798	3.8
179.14349	3.9
185.13266	2.9
189.12770	3.1
193.12202	3.5
199.14748	2.7
221.15306	3.2
231.21024	1.8
241.19478	5.1
249.22157	1.9
259.20575	9.8
260.20947	1.5
277.21634	63.8
278.21957	2.4
295.22705	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.30200	1.3
53.03954	3.9
54.75237	1.3
55.01875	18.4
55.05513	68.9
57.03436	13.2
57.06861	1.4
57.07076	16.7
59.05000	3.1
65.03925	3.3
67.05507	96.5
68.05827	1.3
69.03427	9.8
69.06713	2.7
69.07070	51.5
70.74326	2.7
71.04996	10.8
71.08635	21.0
73.06547	2.4
77.03928	3.2
79.05497	73.8
81.03425	9.5
81.07059	100.0
82.07402	2.5
83.04982	28.0
83.08623	31.7
85.06552	8.0
85.10175	4.6
87.04417	1.5
91.05482	52.3
93.07049	89.0
95.04968	30.8
95.08611	67.1
97.06538	23.8
97.10168	16.6
99.08092	17.8
105.04530	1.5
105.07034	38.5
107.04955	4.0
107.08594	38.6
109.06512	12.8
109.10168	22.8
111.08088	18.5
111.11700	1.9
113.09621	3.5
117.07015	10.7
119.08583	27.2
121.06495	2.4
121.10144	31.4
123.08061	8.8
123.11692	11.9
125.09631	10.9
129.07019	9.1
131.08556	12.8
133.10139	37.6
135.08022	2.1
135.11694	27.5
137.09622	4.7
137.13252	4.2
139.11189	26.1
143.08585	5.3
145.10121	6.7
147.08037	3.0
147.11682	23.3
149.09610	4.1
149.13271	17.4
151.11209	10.7
153.12775	6.7
157.10126	9.8
159.11671	7.8
161.09654	1.9
161.13272	16.3
163.11168	4.5
163.14821	4.1
165.12749	10.0
171.11682	5.8
173.13245	3.9
175.09866	1.5
175.11133	8.4
175.14812	6.8
177.12772	4.4
179.14330	5.5
185.13260	4.4
189.11261	3.7
191.17899	2.2
193.12274	10.1
193.15810	1.6
195.13809	4.2
199.14812	3.2
207.13811	5.4
211.13304	2.2
221.15340	5.9
231.21069	5.3
241.19528	5.9
249.22208	4.9
259.20639	10.1
277.21646	81.4
278.21887	3.9
295.22672	82.3
296.23019	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.45965	2.6
55.01878	21.0
55.05513	63.8
57.03431	8.6
57.07076	14.6
65.03941	3.4
67.05505	78.8
69.03440	13.6
69.07069	48.4
70.77019	5.4
71.05000	8.4
71.08631	22.1
73.06535	4.2
74.77726	3.1
77.03933	3.1
79.05495	71.7
81.03432	9.7
81.07059	100.0
83.04991	27.2
83.08621	27.0
85.06561	7.9
85.10201	2.8
91.05488	44.1
93.07051	79.7
93.07603	5.4
94.07366	3.3
95.04969	23.5
95.08610	63.7
97.06522	21.3
97.10186	15.9
98.22876	3.8
99.08097	17.0
105.07035	32.2
105.35697	3.2
107.08598	38.7
109.06514	6.8
109.10171	24.9
111.08070	13.0
111.68501	2.7
117.07015	9.9
119.08589	25.4
121.06512	3.2
121.10162	29.7
123.08074	8.3
123.11706	7.4
125.09655	11.6
129.07008	7.7
131.08534	17.7
133.06563	2.8
133.10136	37.6
135.08046	4.7
135.11707	21.5
137.09604	4.7
139.11198	21.4
143.08611	5.1
145.10133	6.2
147.08025	3.6
147.11703	20.8
149.09624	4.3
149.13286	12.7
151.11201	14.2
153.12752	6.2
157.10176	9.7
159.11703	6.4
161.09633	3.1
161.13216	13.5
163.11205	6.1
163.14780	3.9
165.12791	14.1
173.13220	3.4
175.11203	8.3
175.14890	8.0
177.12679	3.7
179.14363	5.5
183.37013	3.1
185.13358	4.4
193.12274	7.7
195.13783	5.3
199.14767	3.1
207.13918	4.5
221.15424	3.6
231.21162	3.4
241.19498	5.6
249.22112	6.0
259.20615	6.6
277.21646	85.6
278.21896	3.8
295.22644	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01886	2.4
55.05521	14.7
55.82430	1.8
67.05505	33.6
69.07075	12.0
71.08643	36.6
76.84599	1.8
77.03931	1.8
79.05497	36.6
81.03407	6.3
81.06618	3.7
81.07059	38.6
83.04991	10.0
83.08620	7.3
85.06548	2.2
91.05484	16.3
93.03956	1.5
93.07050	46.7
95.04960	6.5
95.08612	28.8
97.06536	8.5
97.10165	5.2
98.23470	3.2
99.08100	33.9
102.21970	2.7
105.07040	12.2
107.04947	5.7
107.08604	22.3
109.06532	2.5
109.10187	10.0
117.07003	3.8
119.08573	9.6
121.10142	24.1
123.11714	2.3
131.08617	2.7
132.45415	2.3
133.10132	7.6
135.11693	32.3
137.09637	5.4
141.09109	3.4
145.10165	2.2
147.11668	3.3
149.13242	9.8
151.11163	12.7
159.11687	3.3
161.13290	7.5
163.11186	4.0
172.77931	1.8
179.14317	100.0
180.14632	3.2
181.12273	2.1
185.13298	2.3
188.53464	2.0
216.52083	2.0
221.15381	3.7
235.16959	5.5
259.20615	3.9
277.21637	42.5
295.22852	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.27689	1.4
53.03946	15.2
53.83554	1.7
55.01868	4.8
55.05507	22.7
57.03439	1.6
57.07067	6.0
65.03935	1.7
67.05502	51.1
69.03419	2.5
69.07064	38.3
69.86883	2.2
69.87230	4.1
71.08624	4.0
77.03947	1.5
77.41579	1.4
79.05489	34.0
81.03414	66.0
81.07056	42.1
83.04973	15.5
83.08620	8.4
85.06554	2.0
85.10182	3.1
91.05471	17.2
93.07039	29.2
95.04968	35.2
95.08595	16.2
97.06532	4.8
97.10175	6.0
98.23409	3.0
99.08089	3.4
105.04539	1.8
105.07025	20.4
107.08589	19.2
109.06535	8.7
109.10133	13.0
111.08105	3.1
113.09696	2.3
117.07008	3.1
119.08585	10.3
121.06458	1.6
121.10153	9.8
123.08051	2.5
123.11683	7.4
125.09628	8.1
131.08557	3.5
133.10114	15.1
135.08032	3.7
135.11702	7.6
137.09613	1.5
137.13228	2.1
143.08551	2.6
145.10143	4.5
147.11664	11.8
148.56273	1.5
149.13222	8.8
151.11174	44.5
153.09099	4.3
157.10138	1.6
159.11682	1.8
161.13269	12.1
163.14832	6.3
165.12753	9.6
171.11650	4.6
175.11269	3.6
175.14838	4.3
177.12767	2.8
179.14296	4.6
185.13289	1.7
189.12772	3.0
191.17973	1.6
193.12306	3.4
207.13770	4.3
217.19521	2.2
221.15378	2.5
231.21094	12.5
241.19528	5.6
242.29387	1.8
249.22195	5.1
259.20596	9.1
277.21619	100.0
278.21976	6.3
295.22610	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	4.7
55.01875	28.3
55.05514	63.6
56.05854	6.7
57.03445	4.9
57.07075	11.7
59.04996	14.2
60.05331	5.3
60.30347	2.6
67.05513	62.7
69.03431	9.6
69.07070	32.1
71.05025	14.2
71.08636	50.5
79.05496	40.1
80.05817	3.5
81.03428	11.4
81.07063	62.7
83.04988	14.8
83.08624	49.4
83.09099	3.9
84.08976	3.9
85.02917	4.8
85.06567	8.6
85.10196	8.8
87.04469	18.5
88.04829	6.9
89.06060	3.2
91.05480	36.3
93.07051	41.4
95.04988	19.8
95.08612	39.5
97.06529	19.4
97.10167	21.0
98.10507	6.3
99.04454	5.5
99.08090	46.3
99.08700	3.5
100.11270	29.9
105.07040	27.9
107.04987	8.0
107.08600	32.2
109.06511	6.2
109.10158	18.5
111.04469	3.6
111.08088	38.3
111.21633	2.8
113.09651	12.4
117.07028	7.6
119.08591	18.6
121.06554	3.3
121.10154	25.2
123.08083	6.2
123.11753	3.5
125.09641	21.8
126.10007	8.0
129.07040	6.2
131.08572	8.7
133.10124	22.4
135.11699	13.4
137.13249	3.6
139.07603	4.1
139.11182	8.1
145.10176	9.8
147.11699	25.3
149.09621	4.6
149.13303	14.9
151.07599	3.6
151.11174	47.3
153.12708	4.5
157.10172	5.0
161.13243	18.9
163.11171	25.0
165.12798	22.3
168.17500	45.9
175.11214	3.5
175.14903	5.3
177.12802	3.9
179.14346	12.8
185.13231	3.6
188.10373	3.2
189.11234	9.3
193.12358	3.4
221.15352	3.5
237.05397	3.8
241.19478	6.8
243.25374	3.3
249.22107	4.7
259.20575	16.3
277.21646	100.0
295.06039	8.7
295.09491	18.3
295.15213	71.3
295.23254	54.8
296.06674	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	5.4
55.01871	19.5
55.05511	49.8
55.35897	1.7
57.03411	4.7
57.07057	5.7
59.04978	1.9
65.03912	2.5
67.05502	86.3
68.05846	1.8
69.03418	7.1
69.07061	39.5
69.34889	8.2
70.06600	2.3
71.04983	7.8
71.08627	28.1
72.08134	1.5
72.37347	1.3
77.03895	1.7
79.05039	3.0
79.05490	52.5
79.05944	3.2
81.03413	15.5
81.07053	70.7
82.07377	3.7
83.04973	19.1
83.08614	30.7
85.06539	5.5
91.04946	2.0
91.05479	34.5
93.07041	57.1
94.07395	2.2
95.04963	19.6
95.08024	3.0
95.08607	57.6
97.06506	13.4
97.10171	34.1
98.09701	1.6
99.08089	21.0
105.07023	24.0
107.04949	4.1
107.08588	41.2
107.44366	1.4
108.08934	2.2
109.06512	8.2
109.10155	36.7
111.08077	4.9
111.62991	1.6
113.09648	1.9
117.07022	10.6
119.08581	24.0
121.06522	2.4
121.10132	24.8
123.08068	16.3
123.11715	8.0
125.09634	20.8
129.06967	3.7
131.08545	6.8
133.10127	14.0
135.08035	5.0
135.11671	21.5
137.09598	21.5
139.11169	8.8
143.08530	5.9
145.10146	8.2
147.07993	1.6
147.11649	11.9
149.02313	2.0
149.09561	2.2
149.13231	12.0
151.07527	2.6
151.11176	24.2
153.12704	3.2
155.10701	2.6
157.10150	3.8
159.11668	6.1
161.13263	14.2
163.11174	9.6
163.14861	3.3
165.09164	3.0
165.12747	5.8
167.14320	1.7
171.10237	2.8
171.11673	4.1
173.11795	2.2
173.13263	4.7
175.11189	1.6
175.14807	6.2
177.12737	2.3
179.14297	7.8
181.12224	6.0
185.13249	4.6
187.14734	2.1
189.11214	15.5
189.12703	2.2
193.15842	1.6
195.13837	2.3
199.14757	3.3
221.15326	4.0
231.21042	8.3
241.19501	8.3
249.22148	12.5
259.20560	11.7
277.21603	100.0
278.17563	1.7
278.21814	5.2
295.05994	1.7
295.15189	2.5
295.18964	3.3
295.22614	55.7
313.35803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03952	3.9
55.01875	14.7
55.05515	55.0
55.34724	1.1
57.03445	13.8
57.07080	12.9
61.10012	1.3
65.03938	3.9
67.05506	82.6
68.05832	2.0
69.03436	10.6
69.07069	53.0
69.07447	2.6
69.79382	4.6
71.04990	10.0
71.08634	50.9
73.06554	1.6
77.03972	1.4
79.05496	67.2
81.03423	8.1
81.07059	100.0
83.04983	25.8
83.05433	2.0
83.08620	26.7
85.02862	1.6
85.06546	9.8
85.10182	2.1
91.05482	35.9
91.06057	2.0
93.07047	85.0
95.04972	19.3
95.05532	1.8
95.08610	61.5
96.08948	1.9
97.06535	27.2
97.07113	2.1
97.10166	10.2
98.31460	1.3
99.08099	40.1
99.08725	2.6
101.06036	1.6
101.09678	1.5
105.04538	2.8
105.07030	31.3
107.04972	5.7
107.08598	42.1
109.06526	6.3
109.10162	22.1
111.08087	9.8
111.11702	4.0
113.09669	3.7
117.07033	8.3
119.08585	24.8
121.06524	3.5
121.10154	35.5
123.08076	6.5
123.11710	6.3
125.09628	7.5
125.50811	1.2
127.11245	1.3
129.07021	5.0
131.08566	11.1
133.06511	3.6
133.07574	1.2
133.10138	27.9
135.08029	2.8
135.11694	43.6
137.09650	7.1
137.13271	3.1
139.07574	2.3
139.11186	16.1
141.09109	1.7
141.12776	1.8
143.08572	3.0
145.10120	8.4
147.08029	2.1
147.11693	15.1
149.09641	3.0
149.13275	15.7
151.07549	1.3
151.11195	25.0
153.12756	10.8
157.10143	5.4
159.11728	8.0
161.09712	2.5
161.13269	17.8
163.11185	11.8
163.14836	3.4
165.12753	6.5
167.10773	1.7
167.14294	2.5
171.11693	3.1
173.13281	2.8
175.11212	5.0
175.14882	3.5
177.12778	3.9
179.14308	40.5
185.13263	3.3
189.12759	2.1
193.12234	4.3
193.15935	2.0
195.13850	3.9
199.14931	1.5
203.14452	1.6
207.13843	3.6
217.14328	12.9
221.15379	3.4
231.17441	2.8
231.21156	2.8
235.16930	1.9
241.19492	7.0
249.22169	4.0
259.17032	3.5
259.20557	10.8
277.21640	79.5
278.21942	4.5
295.22644	38.0
296.23099	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.30191	0.7
53.03938	3.0
55.01876	6.6
55.05515	25.1
56.05834	0.7
57.03437	4.6
57.07081	6.5
57.38860	0.6
59.05002	1.2
65.03912	1.6
67.05505	40.5
68.05820	0.8
68.08795	0.7
69.03432	4.3
69.06703	1.3
69.07066	18.3
71.04995	4.6
71.08633	23.1
73.06545	0.8
76.53848	0.7
77.03925	0.6
79.05495	23.7
80.04946	0.7
81.03423	13.9
81.07059	35.5
82.07390	1.2
83.04975	10.5
83.08621	11.5
85.06545	4.8
85.10195	3.6
91.05482	15.8
92.05840	0.7
93.07046	28.8
95.03599	0.6
95.04973	18.3
95.05585	0.6
95.08607	28.5
97.06532	8.7
97.10174	9.7
99.08102	16.1
105.07030	9.6
107.04980	1.6
107.08598	17.0
107.74423	0.6
109.06518	5.1
109.10165	16.6
111.04442	1.8
111.08083	3.3
111.11696	0.8
113.09640	5.7
117.06993	3.2
119.08594	10.4
121.06533	1.0
121.10148	13.1
123.08062	3.3
123.11703	3.5
125.09625	5.8
127.11183	2.1
129.06985	2.1
131.08588	3.7
133.06493	0.9
133.10117	8.2
135.08075	1.3
135.11691	7.5
137.05994	11.7
137.09595	7.7
137.13275	1.2
139.11166	3.6
141.12804	0.8
143.08571	1.8
145.10129	4.8
147.11671	5.9
149.09634	3.0
149.13249	4.0
151.11182	17.0
153.12715	2.5
155.08719	0.6
155.10718	1.6
157.10181	1.3
159.11693	2.6
161.09621	1.2
161.13266	5.8
163.11238	5.8
163.14818	1.2
165.12772	7.9
167.10674	1.6
167.14258	0.9
169.12209	1.1
171.11722	2.4
173.13290	2.4
175.11264	0.9
175.14844	2.3
179.10692	0.7
179.14320	5.5
181.12247	1.2
185.13303	0.9
187.13271	0.8
189.11246	4.8
193.12271	1.1
199.14923	1.3
203.18027	1.0
207.13837	0.8
217.15916	0.9
221.12988	0.8
221.15341	3.4
231.17456	1.5
231.21162	0.8
235.17072	0.9
241.19522	1.8
249.18552	1.2
249.22218	1.4
259.20526	3.8
277.18106	5.7
277.21619	63.0
278.22070	3.2
279.23074	0.9
295.22696	100.0
296.22971	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1346
Annotation	2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
53.03949	0.4
55.01871	0.4
56.66581	0.2
57.03434	1.3
59.90551	0.2
60.04527	2.7
61.02933	2.6
68.05032	10.2
69.03435	14.3
70.06591	1.1
71.05010	0.9
73.02927	1.0
80.05028	2.7
81.03433	2.0
82.06567	0.2
85.02911	17.7
86.06049	0.3
87.04470	1.0
91.03972	1.1
97.02895	4.3
98.06061	16.4
99.04460	0.7
99.06378	0.3
109.02882	1.5
112.07637	0.2
113.77101	0.2
115.03893	0.2
116.07100	18.1
117.07475	0.2
118.08652	0.2
119.01981	0.2
127.03921	3.2
130.05786	0.2
134.08136	100.0
135.08485	1.3
140.07060	0.3
145.04961	2.8
146.05215	0.2
158.08099	0.3
176.09190	1.1
177.00969	0.7
182.11769	0.2
199.54347	0.2
214.84106	0.3
219.01984	1.6
219.56122	0.2
220.02135	0.3
240.25650	0.2
272.94348	0.3
278.12387	0.7
296.13412	8.8
297.04303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.5
67.05481	1.9
69.07060	1.0
69.66544	2.2
72.44652	0.6
81.07050	1.8
91.05440	0.7
93.07032	1.7
95.08597	2.3
97.06479	0.6
98.97577	19.0
105.07015	0.7
107.04934	0.8
107.08591	0.9
111.08108	0.8
116.98621	10.2
119.08533	0.7
121.10141	0.8
133.10100	1.0
134.99660	5.0
135.04520	0.6
139.11244	0.6
145.10086	0.8
149.09628	0.9
153.00676	0.7
159.11707	1.0
165.35252	0.6
185.04863	0.9
228.24983	0.6
232.96452	1.5
238.21547	1.0
250.97562	1.3
256.96460	2.5
274.97495	19.8
292.98557	9.6
297.16696	100.0
297.26181	1.6
297.99066	2.2
298.17059	3.4
315.11102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40738	2.7
52.79534	2.6
53.03944	10.1
55.01869	11.3
55.05511	14.0
56.15561	2.7
57.03445	25.0
57.07071	3.5
59.04995	3.0
61.02925	9.8
63.25456	2.4
65.03950	3.9
67.05508	27.6
69.03432	55.4
69.07063	13.7
71.01352	3.6
71.05003	13.3
71.44498	2.8
73.02911	13.3
79.05495	31.1
81.03432	24.9
81.06618	4.6
81.07063	52.5
82.43641	2.8
83.04984	12.1
85.02408	3.6
85.02911	70.0
87.04465	6.1
91.03955	2.9
91.05483	33.5
93.07053	98.8
95.04973	17.8
95.08608	41.3
97.02897	37.3
97.06532	9.0
98.97590	32.7
99.04470	24.1
101.02406	4.3
102.99968	2.6
103.03945	10.9
105.04513	3.5
105.07037	59.4
107.04967	6.2
107.08601	96.1
109.02885	11.2
109.06515	14.6
109.10162	37.0
111.04447	11.4
115.03921	11.7
115.05455	2.8
116.98651	18.0
117.07034	9.4
119.08587	37.1
121.06506	19.0
121.10154	65.2
123.04436	6.6
123.08078	7.1
123.11750	16.2
127.03941	24.7
129.05472	3.6
129.06989	5.8
130.07777	3.6
131.08571	16.3
133.04948	4.7
133.06487	4.6
133.10139	37.5
134.99664	4.8
135.08078	12.3
135.11697	100.0
137.06004	5.0
137.09618	9.2
142.07835	4.1
143.08585	12.9
144.09386	3.0
145.04988	10.5
145.06468	4.1
145.10129	27.1
147.08031	8.5
147.11707	32.1
149.05951	4.1
149.09636	9.1
149.13293	5.8
151.07481	3.3
151.11189	7.2
153.12744	51.4
155.08556	5.6
156.09335	3.5
157.10150	13.1
159.07993	6.3
159.11717	19.8
161.09613	7.2
161.13249	10.5
163.11185	10.4
165.12772	10.7
169.05241	2.7
171.11696	8.0
173.09688	3.7
173.13261	6.5
175.11224	14.8
177.12711	18.1
187.11165	3.9
189.12741	9.6
191.14334	3.4
197.08101	3.2
197.13266	3.5
201.12805	8.4
205.12512	3.2
207.13760	4.4
219.13858	10.6
231.13815	6.1
233.15404	3.5
239.18155	3.0
243.13771	8.7
256.76801	2.7
256.96509	3.4
261.14880	24.1
274.97607	26.1
279.15900	28.5
292.98633	14.5
297.13217	5.4
297.16870	55.0
297.22430	5.3
298.20218	6.1
315.99799	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	8R-Hydroxylinoleic acid
Peak:m/z	Relative Intensity
50.41750	1.0
55.05510	9.0
57.03437	2.1
57.07076	29.4
67.05160	2.2
67.05505	33.5
69.07057	10.1
71.04968	1.6
71.08619	1.5
72.21020	1.1
79.05489	14.0
81.07056	33.7
81.47726	1.0
83.04978	3.7
83.08627	8.9
85.06560	1.1
85.10180	72.6
89.06046	1.2
91.04933	1.8
91.05479	22.4
93.07042	13.4
95.04959	1.7
95.08610	23.3
97.06520	3.8
97.10159	4.4
98.97575	14.1
99.08073	2.7
105.07038	9.8
107.08591	10.8
109.10157	8.3
111.08099	4.5
113.09642	100.0
114.09974	1.8
116.98627	8.0
117.06979	2.1
119.08606	2.1
121.10149	11.8
123.11699	3.3
123.98582	1.2
125.09625	1.6
131.08580	6.6
131.10658	4.6
133.10129	41.5
134.99634	1.6
135.08037	2.2
135.11679	3.9
137.13249	2.5
141.12682	2.8
145.10130	2.3
147.11682	4.1
149.09634	7.0
149.12096	2.0
149.13264	29.2
150.13629	1.3
151.11183	8.7
151.14787	1.2
153.12717	2.0
159.11649	3.7
163.14799	1.7
165.12714	3.4
167.14310	16.7
173.13275	2.2
181.15845	5.7
187.14787	1.7
195.17511	2.0
233.22598	2.3
237.40730	1.3
243.21056	9.6
251.23654	2.7
256.96451	2.1
261.22177	19.8
262.22552	1.9
263.29324	1.0
274.97528	15.6
279.23199	78.8
280.23535	4.1
280.26486	1.2
292.98529	6.9
297.24246	12.1
297.99365	1.5
299.11768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	9R-HODE
Peak:m/z	Relative Intensity
54.39479	1.2
55.01890	1.4
55.05515	8.3
56.96561	1.2
57.03442	1.8
57.06816	2.1
57.07081	28.6
65.03935	1.3
67.05154	2.4
67.05507	32.8
69.07079	8.9
69.83829	3.2
70.99117	1.4
79.05486	11.3
81.07059	30.3
83.04977	4.4
83.08620	10.4
85.06570	1.6
85.10186	71.9
91.05491	19.8
93.07056	14.7
95.04948	2.3
95.08610	22.5
97.06525	4.2
97.10161	4.6
98.22924	2.0
98.23459	1.4
98.97585	9.6
99.08104	2.0
105.07043	9.2
107.08604	12.0
109.06525	2.4
109.10152	6.6
111.08088	3.7
113.09652	100.0
114.09996	2.1
116.98655	3.0
121.10159	8.5
123.11720	4.5
125.09658	1.7
131.08591	4.7
131.10692	3.6
133.10133	43.3
134.10471	1.6
134.99678	1.5
135.08093	1.6
135.11694	4.8
141.12787	2.1
145.10139	1.6
147.11696	3.5
149.09682	7.5
149.13260	30.4
151.11214	10.1
151.14760	1.8
153.12752	2.6
155.14229	1.2
159.11685	4.0
161.27150	1.1
163.14822	2.7
165.12804	1.8
167.14320	13.9
173.13274	2.4
181.15872	4.9
192.44502	1.1
203.38258	1.1
214.17580	1.4
217.19632	1.2
233.22688	3.1
243.21088	8.6
261.22177	19.9
262.22275	1.2
274.97583	9.1
279.23199	80.1
280.23587	3.3
292.98553	5.0
297.24277	9.2
303.93924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28234	0.3
56.96548	0.5
61.67845	0.3
66.12698	0.3
70.45419	0.7
74.09719	3.2
82.37470	0.3
85.02895	1.1
94.93006	0.9
96.92806	1.1
97.02892	0.4
98.97575	1.5
101.05988	0.5
110.08349	0.3
111.09247	0.4
112.05254	1.4
112.89576	0.7
116.98616	1.1
116.99645	0.3
119.01904	0.6
123.09232	0.3
130.06284	3.3
132.10289	0.3
136.06181	0.6
136.94014	0.4
139.91463	1.4
140.06810	5.2
145.04959	0.5
156.04204	100.0
157.04552	1.3
158.03964	0.4
176.07829	0.3
177.00952	0.8
178.09789	0.4
182.05795	0.9
193.10832	1.0
196.94348	0.5
197.02849	0.3
201.07181	1.0
203.02505	0.5
218.09857	1.4
219.02011	1.5
239.11302	1.1
243.02020	0.7
261.03064	5.5
262.03311	0.5
274.97275	0.8
279.89838	0.3
292.98447	0.7
298.08859	0.6
298.11942	0.3
298.99384	0.3
314.75198	0.3
316.07486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
56.56169	0.1
56.96562	0.3
57.03429	0.2
61.01150	5.9
69.03421	0.4
69.80073	0.4
69.80416	0.2
74.87032	0.1
75.02704	2.2
94.04045	0.4
97.02894	1.3
98.97575	2.7
103.02177	0.3
116.98611	1.2
119.03516	0.8
124.18547	0.2
131.50284	0.1
134.99626	0.3
136.06178	100.0
137.04649	0.4
137.06660	1.0
145.03180	1.5
163.04251	1.1
206.78816	0.2
256.96475	0.3
274.97507	2.1
292.98651	0.8
298.06311	0.2
298.09653	4.2
299.10110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	Anibacanine
Peak:m/z	Relative Intensity
58.06588	0.2
69.92273	0.4
91.05506	0.7
98.97598	0.3
103.05459	0.2
107.04945	0.6
112.67499	0.1
119.04939	0.2
121.06504	6.1
122.06804	0.3
123.04427	0.4
131.04916	0.5
134.06004	0.3
135.08075	0.4
137.05965	0.5
144.08128	0.2
145.06453	0.4
147.04381	0.4
148.07521	0.5
149.05928	0.5
149.08293	0.2
150.71161	0.1
151.17021	0.2
159.06749	0.2
160.07576	2.0
162.05484	0.5
162.09082	0.4
163.07530	0.6
176.07050	3.1
177.07849	3.1
178.08650	0.2
190.08632	2.2
191.09140	0.2
194.07164	0.2
195.08064	0.2
201.07884	0.4
202.08684	0.3
209.09625	0.8
214.08633	0.4
221.09647	0.6
222.09213	0.2
226.12221	0.5
236.08450	0.2
237.09186	0.7
237.11252	0.2
238.12408	0.3
240.07916	0.3
240.10181	0.8
251.07011	0.2
252.07883	0.2
254.11780	3.4
255.10242	0.3
255.12482	1.4
266.11768	0.5
267.09467	0.2
268.09650	2.8
274.97427	0.2
282.11261	2.3
283.12024	7.8
284.12323	0.4
298.14359	100.0
299.14713	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88481	4.6
55.05521	5.2
56.96560	20.9
62.33964	4.0
64.13945	4.3
67.05476	5.8
69.07076	8.7
71.07052	8.4
79.05484	7.3
81.07051	12.5
91.05470	7.4
93.07030	9.3
95.08629	9.0
98.97590	9.7
105.07037	7.3
107.08547	5.3
109.10130	5.5
119.08601	8.8
120.80600	3.8
133.10121	6.9
139.00711	4.6
145.10104	9.2
157.07603	6.4
157.10150	5.3
169.10037	4.0
181.04976	15.2
185.04840	12.7
202.71866	4.5
203.05666	5.2
223.06398	6.2
223.14713	5.2
235.06046	10.1
239.11790	5.5
249.07939	10.2
267.06149	5.1
267.09030	100.0
275.97800	11.5
281.13177	6.3
285.10107	99.4
299.05380	5.1
299.12094	62.4
299.19962	25.0
317.12711	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48756	2.2
56.96564	23.6
61.45611	2.4
67.05482	3.8
69.16434	15.6
71.89938	2.7
71.95197	2.2
79.05470	2.7
81.07037	5.6
91.05463	4.2
92.64608	2.4
93.07044	6.6
95.04937	2.6
95.08604	4.9
97.12049	2.6
98.97571	4.6
105.07057	6.2
107.08601	5.9
116.98611	2.7
119.08583	5.2
129.06956	3.6
131.08536	2.8
133.10126	6.0
143.08467	3.6
144.29205	2.5
145.10123	5.7
147.11589	2.4
157.01704	3.2
157.10182	4.4
158.88898	2.5
159.11644	3.9
165.01982	3.7
167.03761	3.6
169.10112	2.9
171.03291	4.1
171.11668	2.7
185.04803	12.6
197.13335	3.4
203.05888	11.3
211.06357	5.3
216.10872	2.4
223.06360	3.6
231.07028	2.7
249.07970	10.7
249.19577	2.3
253.19635	3.1
255.09061	4.5
267.09036	100.0
275.97974	4.1
281.13589	4.3
285.10089	91.2
286.10724	3.7
299.12180	50.4
299.19986	21.0
308.11743	5.4
317.12704	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
64.95911	0.6
67.05513	3.0
67.41785	0.6
69.03421	0.9
69.07064	1.5
69.66228	0.6
70.06564	0.6
79.05502	2.6
81.07059	3.1
83.04935	0.7
83.08575	0.8
85.06558	0.7
88.72914	0.6
91.05477	4.0
93.07055	3.4
95.04962	2.8
95.08609	2.5
98.97604	1.9
99.04464	1.5
105.07034	2.7
107.05003	0.9
107.08637	1.6
109.06544	1.1
109.10170	0.8
111.04458	1.0
116.98609	1.4
117.07014	1.4
119.08582	6.4
121.06516	1.8
121.10169	1.5
123.08030	0.6
123.11689	0.7
129.06999	1.8
131.08571	1.4
133.10135	2.8
134.99643	0.7
135.04373	0.6
135.08072	1.9
137.06033	0.9
137.09657	1.0
141.88992	0.6
143.08566	2.2
145.10120	2.7
147.08084	1.4
147.11678	1.2
149.09724	0.7
155.08580	1.4
157.10110	1.4
159.11703	2.1
161.09622	0.9
163.11302	0.8
164.43236	0.7
169.10138	1.3
171.11700	1.4
173.09624	0.7
173.13254	0.8
175.11314	1.0
179.08563	0.7
183.11694	1.3
185.13300	1.1
195.11679	1.0
197.13300	1.4
199.14838	1.0
211.14938	0.7
217.12276	0.7
221.11589	0.8
223.14856	0.9
225.09032	0.7
225.10973	1.2
225.12924	0.8
225.16539	0.7
229.12192	1.3
239.12477	1.4
253.19687	1.4
256.07156	1.3
256.09656	9.5
263.18274	0.7
267.12054	36.3
275.97626	0.8
277.00916	0.7
281.13544	3.3
281.19022	2.1
285.07675	1.4
299.14676	100.0
299.19669	11.6
300.12308	18.7
300.15146	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98947	0.5
55.01868	1.1
55.05500	1.3
57.03432	0.7
62.03489	0.6
67.05501	1.8
69.03420	3.2
69.07053	1.1
70.06581	1.4
71.04978	0.8
71.12236	0.5
72.08113	0.6
79.05515	1.2
81.03452	0.8
81.07043	2.7
83.04974	1.3
83.08643	0.8
85.02896	1.1
91.05475	3.4
93.07030	2.6
95.04963	1.8
95.08598	2.0
103.03963	0.9
105.07034	3.5
107.08590	4.8
109.06500	0.8
109.10152	1.4
111.04365	1.0
116.98615	1.2
117.07033	0.7
119.08556	3.4
121.02883	3.2
121.06487	0.7
121.10151	1.0
125.09590	0.7
129.05467	0.8
129.06970	0.9
131.04918	0.6
131.08531	2.0
133.06357	0.6
133.10104	2.3
135.08067	2.8
137.02342	0.9
141.01842	1.0
142.07784	0.6
143.08528	1.4
145.10121	1.3
147.08038	0.6
147.11736	1.1
149.09607	0.8
155.08501	0.9
157.10135	1.2
159.11748	1.1
161.09622	1.1
161.13242	0.7
163.03865	0.8
165.01857	0.9
167.08575	0.6
169.10210	1.9
171.11647	1.0
172.35652	0.6
172.37296	0.5
180.11133	0.9
183.11688	0.7
197.13216	0.9
199.14731	0.9
208.10687	0.6
209.11331	0.7
211.14780	0.7
225.10933	1.7
229.12166	0.7
239.10472	0.8
239.12517	4.4
253.19586	1.0
267.12015	39.9
268.12378	1.7
275.97781	1.6
281.13586	3.5
281.19055	2.0
299.05536	18.7
299.14642	100.0
299.19574	6.4
300.05847	1.2
300.14984	4.4
312.77002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77437	0.8
56.96568	9.0
69.78769	1.8
70.06593	2.5
70.95885	0.9
72.08134	0.8
81.07020	0.7
84.08150	2.7
85.02895	1.3
85.06567	1.0
86.09694	1.9
95.06097	0.9
96.06873	2.0
97.07684	1.1
98.06062	1.2
98.97582	100.0
99.97921	0.9
101.00895	2.0
107.04977	1.1
109.07669	4.7
116.07066	1.6
116.98623	48.3
119.01929	2.8
120.08089	1.0
121.06520	2.8
121.08620	1.4
126.10286	1.6
133.01154	0.8
133.03445	0.9
134.08113	1.8
134.99652	15.1
138.09154	4.0
145.03520	1.3
149.00543	1.7
161.03050	1.2
168.05164	2.0
170.09265	2.4
177.00917	4.0
178.00952	3.6
179.00731	1.3
182.01019	0.9
186.06079	2.1
192.94861	1.1
193.03209	9.9
203.02588	1.1
204.02693	2.6
205.00505	1.8
205.02260	1.8
210.95930	1.5
216.98624	1.4
219.02000	7.8
220.02164	3.3
221.01823	1.1
222.04527	1.0
225.46603	0.9
232.00444	0.9
233.03619	4.3
234.95872	2.6
240.11526	1.0
240.98610	5.5
246.03758	1.4
249.94624	1.0
250.01474	1.0
252.96971	2.3
258.11810	5.2
258.99728	61.8
259.99954	2.6
263.02908	6.8
268.16577	4.3
273.03165	1.0
275.99429	2.8
276.97174	5.5
277.00790	70.8
277.54825	1.1
278.01035	2.3
282.01141	1.1
294.98135	3.6
299.97986	2.5
300.02280	0.9
300.10226	3.1
300.13083	1.5
300.19318	7.1
300.97537	1.7
301.02466	2.6
317.98981	3.0
318.08939	2.3
319.15445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1594
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
55.05503	0.5
55.89849	0.4
56.05751	0.5
58.06605	1.7
65.03981	0.4
67.05499	0.7
68.88394	0.4
70.06579	0.8
70.27966	0.6
71.04987	0.8
79.05478	1.2
81.03431	0.6
81.07063	0.7
86.09715	0.5
88.92041	0.4
89.06035	0.8
90.05565	0.7
91.05474	1.6
93.07056	1.1
95.04974	1.3
95.08651	0.4
98.22776	0.5
98.97562	1.0
100.11291	0.5
103.05457	1.1
105.07056	1.0
107.04949	86.8
108.05275	1.3
109.06519	0.5
111.04424	0.4
112.83299	0.4
114.05570	0.4
114.09114	0.7
115.05445	5.2
116.07123	0.6
117.07015	1.3
119.04929	1.2
120.08098	1.2
121.06496	5.4
121.08888	0.6
121.10086	0.5
122.09653	0.9
129.06975	0.5
130.08673	0.4
131.04910	2.9
133.06470	1.2
134.07925	0.5
137.05960	8.0
138.06563	0.8
138.09093	0.9
139.09912	1.5
142.12241	0.7
143.04913	9.3
144.05647	0.7
145.06473	7.0
147.08041	0.7
149.05948	1.1
151.07523	1.9
154.36478	0.4
156.10165	4.1
157.10289	0.5
159.14879	0.5
160.05206	2.4
162.06816	0.8
163.07588	2.6
165.06955	0.5
166.07814	0.8
175.07533	12.9
176.08194	0.5
178.08641	1.0
179.08519	0.9
180.10243	0.8
181.06483	1.2
181.10085	1.2
182.07231	1.5
183.07909	0.7
190.07742	0.8
191.08540	3.0
192.10188	1.4
194.07277	2.4
195.08096	0.5
197.05894	0.5
197.09593	4.3
199.88365	0.4
208.08734	0.6
209.09601	7.2
210.14867	1.5
211.07468	0.6
211.11156	1.1
211.13106	0.9
219.08073	1.6
222.06810	0.6
225.09085	2.0
228.15739	0.5
237.09071	8.8
238.09776	0.6
239.06935	1.3
239.10632	1.0
254.09299	1.9
254.17506	0.8
256.15387	1.1
257.11728	2.3
258.99774	0.8
269.11725	20.0
270.11948	0.6
271.13193	1.1
276.97342	0.4
277.00742	0.8
280.11987	0.5
282.24219	1.8
284.09097	0.9
285.10004	0.7
300.15796	100.0
301.12375	0.9
301.16150	4.7
301.21344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1596
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
55.01868	0.8
55.05504	1.5
56.05030	0.8
58.06588	2.3
60.04514	0.6
67.05510	1.4
68.05037	1.0
69.03423	0.9
69.07056	0.8
69.54003	2.6
70.06583	2.6
79.05471	2.0
80.05016	2.2
81.03413	1.1
81.05795	0.6
81.07051	2.6
82.06576	1.0
83.04964	0.9
84.08135	0.9
86.06065	2.8
86.09721	1.4
89.06007	1.5
90.05576	1.2
91.05482	3.7
93.07036	2.9
94.06554	1.5
95.04964	2.5
96.04460	0.7
96.08125	3.5
98.97587	2.2
100.11267	1.1
103.05477	0.9
105.04568	0.8
105.07030	2.1
107.04951	100.0
108.05241	1.6
108.08114	2.7
109.06524	0.9
109.08932	1.0
110.06040	1.3
110.09661	2.4
111.06824	1.5
114.09161	3.1
115.05460	4.4
116.07101	1.0
116.98611	1.2
117.07028	1.5
119.04931	2.2
119.08574	1.1
120.08098	12.4
121.02876	1.0
121.06512	7.3
121.08891	4.3
122.09663	11.2
124.07578	2.6
126.09195	1.7
128.07115	0.8
130.08661	0.9
131.04944	2.9
133.06544	1.0
134.99583	0.7
135.08083	0.7
137.05981	10.3
138.09148	4.7
139.09924	17.0
139.10994	0.6
142.08641	1.8
142.12308	1.1
143.04903	9.8
144.05624	1.0
145.06499	8.0
149.05980	1.9
151.07549	1.9
155.06010	0.7
156.10199	53.4
157.10536	1.3
159.14973	1.4
160.05203	2.8
163.07520	1.9
165.06996	0.8
175.07545	14.3
178.08658	1.5
179.08455	1.2
179.10753	0.7
181.06502	1.0
181.10031	1.1
182.07195	1.5
191.08568	2.7
192.10223	2.1
193.12148	0.9
194.07240	2.6
194.11913	0.6
197.09558	4.2
208.08672	0.6
209.09610	8.9
210.14929	4.3
211.07581	0.8
211.11311	0.9
211.13330	1.9
218.38832	0.7
219.08093	2.0
225.09073	2.0
228.15981	1.7
236.16393	0.7
237.09097	11.6
238.09836	0.6
239.06985	1.4
239.10625	1.1
240.12473	0.6
254.09309	2.6
254.17535	1.3
256.15405	2.2
257.11804	2.6
258.99731	1.0
269.11710	24.3
269.18509	1.2
270.12039	0.8
271.13184	1.1
277.00891	0.7
282.17062	1.6
283.17664	1.4
300.05838	3.4
300.15771	87.1
300.18195	80.3
301.16254	4.8
301.18674	2.7
301.22021	1.3
319.95599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1594
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
50.43968	0.4
56.05042	0.7
56.96566	0.7
58.06597	91.2
59.06942	0.6
69.07070	0.4
69.45521	0.8
69.45923	1.1
70.06590	21.2
70.82983	0.4
71.07371	0.8
72.08153	1.2
81.03390	0.5
84.08148	0.4
85.02910	0.6
86.09713	5.3
88.43704	0.4
89.06044	1.2
91.05477	1.2
93.07039	0.4
98.97592	1.0
107.04946	27.7
108.05270	0.6
115.05460	1.2
116.07088	6.5
116.98636	1.0
117.07014	1.1
119.04951	0.5
121.06490	4.7
123.04424	2.8
127.03976	0.5
128.23764	0.4
131.04948	0.6
133.06508	0.4
133.08597	0.5
134.99599	0.5
137.05075	0.4
137.05986	2.4
138.09154	0.5
141.10205	4.1
143.04924	3.2
145.06485	2.7
147.08008	1.0
157.13339	2.0
159.08032	0.4
161.05965	6.2
163.07515	1.5
169.09702	3.0
177.93741	0.4
178.08606	1.0
179.09261	0.6
180.10237	0.6
193.10686	0.4
209.09641	0.9
229.15442	5.1
237.09071	0.8
239.59708	0.4
255.10117	6.7
257.11777	2.3
258.99796	0.8
276.97574	0.4
277.00784	1.0
283.17218	0.4
284.09122	4.5
285.09970	3.1
300.12326	9.7
300.15866	100.0
301.12527	12.4
301.16235	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1595
Annotation	(-)-4'-O-Methylcoclaurine
Peak:m/z	Relative Intensity
50.01593	0.3
55.01871	0.4
57.03426	0.4
58.06592	0.7
67.05511	1.3
68.99763	0.3
69.07056	0.6
69.35512	1.6
70.06606	0.7
78.04726	0.5
79.05492	1.1
81.07053	1.0
85.02938	0.4
85.06544	0.3
89.06048	0.4
91.05473	3.8
93.07041	1.5
95.04961	1.2
95.08614	0.6
97.02897	0.9
97.06575	0.4
100.11282	0.4
103.05498	0.5
105.04523	0.6
105.07023	4.1
107.04952	1.4
107.08578	0.7
109.06519	0.7
115.05447	5.0
117.07027	0.8
119.04949	0.5
119.08569	0.3
121.06502	92.2
122.06844	1.8
123.04429	9.1
123.05190	0.3
123.39793	0.3
124.51804	0.3
129.07031	0.4
131.04900	0.5
131.08543	0.4
133.06468	1.5
134.07361	0.3
134.19778	0.3
135.04468	0.9
135.08054	7.9
135.42339	0.3
137.05949	1.6
137.07803	0.3
143.04912	11.6
144.05617	1.0
144.10329	0.3
145.06544	0.6
147.04459	0.3
147.08041	0.8
149.05966	1.2
149.09634	0.4
159.08047	5.4
161.05975	19.2
162.06400	0.9
163.07564	0.6
164.10677	0.5
175.07416	0.4
177.32011	0.3
178.08693	4.2
179.08630	0.6
189.05489	0.5
191.08531	0.5
191.10716	0.3
192.10176	0.6
196.08942	0.5
197.09584	0.3
208.08862	1.2
209.09691	0.5
211.11171	1.4
217.04935	2.1
219.08072	0.3
223.11160	1.6
236.08353	0.5
239.07076	0.5
239.10693	1.1
240.07777	0.8
241.08670	0.5
242.09439	0.4
245.04373	2.0
251.10608	1.6
254.09300	1.1
257.11661	1.9
258.80930	0.3
269.11722	13.5
270.12149	0.6
271.13171	0.6
273.03876	3.1
300.15915	100.0
301.03378	4.7
301.16251	4.6
301.21603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1808
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
50.16452	0.5
51.00209	0.6
52.62514	0.6
53.03952	1.1
55.01856	1.8
55.05495	1.9
65.03941	1.4
67.05498	5.7
69.07053	1.9
70.03222	1.5
71.04986	1.5
72.04507	1.2
79.05485	4.4
80.04990	0.8
81.03413	1.7
81.07047	4.6
82.02908	0.8
82.06544	0.8
83.04966	1.5
83.08627	0.9
85.18557	0.7
86.06007	1.1
89.05995	0.9
91.05481	6.1
93.07046	4.4
94.06567	3.2
95.04980	4.0
95.08591	3.5
96.04483	2.2
97.06511	1.8
98.06053	1.0
105.07023	5.9
106.06544	3.3
107.04948	2.3
107.07352	0.8
107.08585	1.6
108.04493	3.2
108.08138	1.5
109.02863	4.6
109.06538	0.9
109.10129	1.5
110.06020	2.3
111.04441	2.4
111.08090	0.6
116.98587	0.8
117.06989	2.5
119.08591	5.0
120.04491	1.3
121.06492	1.6
121.10114	1.4
122.06026	21.1
123.04417	5.1
123.08031	0.8
124.07619	1.0
125.06011	0.8
128.06178	0.8
131.08546	1.7
132.04427	1.2
133.10130	3.5
134.05984	2.9
135.06804	5.3
135.11642	0.8
136.07571	12.2
138.05450	0.7
140.07043	1.6
143.08543	1.9
145.10136	1.6
146.05972	1.0
147.07990	1.1
147.11636	0.8
148.03917	1.1
148.07559	1.3
149.08371	1.2
151.11197	0.7
152.07054	1.0
161.09610	4.7
165.08945	0.8
171.08043	1.3
176.14542	0.7
188.10753	1.5
189.09106	2.4
193.12242	32.3
194.12672	0.9
203.73129	0.8
204.13780	3.5
214.12282	1.4
222.14906	2.1
225.11221	0.9
232.13376	4.0
239.07040	0.7
239.12733	1.1
240.15843	1.0
241.08844	0.8
242.05783	0.7
250.14384	100.0
251.14709	3.6
256.22791	3.0
268.15433	91.7
269.15735	3.8
276.97418	0.6
282.17090	3.1
285.07513	2.1
300.09854	2.0
300.17953	1.8
300.25192	1.3
301.10822	2.2
301.21539	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
57.02150	0.3
57.92715	0.3
61.92850	0.3
66.86443	0.3
68.05019	0.7
70.06583	0.9
71.06707	0.3
73.06543	0.7
73.94203	0.3
79.05489	0.4
79.89738	0.3
80.05013	1.3
84.04504	0.6
86.06065	2.5
86.09705	1.9
90.05596	0.3
90.69112	0.4
91.05467	0.4
93.07048	0.6
94.06582	0.7
95.04989	0.6
96.04472	0.4
96.08125	2.9
98.97599	0.5
107.04945	2.3
107.08559	0.3
108.08115	2.6
108.72468	0.4
109.06470	0.3
109.08899	0.8
110.06046	1.2
110.09674	2.1
111.06819	1.2
120.08095	9.7
121.08884	3.9
122.09669	8.7
124.07578	2.1
126.09147	0.8
132.10237	0.6
138.09134	3.4
139.09924	13.3
140.10661	0.4
156.10197	42.5
157.10548	1.0
175.07378	0.4
210.14903	1.8
211.13354	0.3
237.09004	0.4
256.15442	0.9
269.11749	0.6
300.18073	100.0
301.18478	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00927	3.3
54.62387	3.2
55.05507	9.8
56.96562	5.1
63.98148	3.9
67.05497	16.7
69.03424	11.6
69.07066	17.6
69.90588	10.4
71.04981	22.6
79.05472	21.0
81.07052	46.1
83.04980	33.3
85.06524	9.3
89.06034	7.3
91.05466	19.9
93.07037	53.1
95.04991	24.9
95.05510	3.5
95.08598	6.1
97.06538	26.9
98.23393	4.4
98.97568	12.3
99.04453	11.5
99.08095	15.9
105.04586	3.7
105.07020	54.5
107.08592	50.3
109.06515	36.1
111.04441	4.1
116.98595	8.1
117.07026	12.6
119.08566	22.2
121.06509	6.3
121.10127	29.3
123.08075	7.2
125.05984	54.1
125.09594	6.7
127.07526	4.1
129.06953	6.8
130.07791	4.0
131.08571	28.7
133.06516	5.3
133.08597	4.4
133.10135	7.8
135.08084	8.4
135.11681	15.2
137.05965	16.3
141.09087	13.9
143.07028	83.7
143.08580	8.1
145.06448	3.6
145.10120	100.0
146.08858	4.1
147.11665	5.9
151.07532	5.2
154.07750	4.5
157.10094	4.2
159.11662	39.6
161.09618	5.4
161.13225	6.7
163.11200	36.9
169.08681	5.2
169.10100	11.7
170.24332	3.9
173.09602	32.8
181.12201	4.0
187.11168	78.7
189.12755	7.1
191.10646	41.6
195.13797	17.8
205.12253	47.4
209.11763	11.5
215.10663	52.1
219.13829	16.2
223.13301	10.7
231.16043	3.8
233.11707	46.4
238.32240	3.8
247.13309	22.2
251.12764	32.2
265.14380	24.3
276.97382	6.6
283.15265	49.5
283.20474	6.1
300.12466	5.3
300.20319	4.7
300.23224	41.9
301.21585	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2165
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.45140	1.2
52.76263	1.1
53.03924	1.4
55.01868	2.2
55.05510	9.8
57.03437	2.0
65.03915	1.5
67.05513	23.9
69.03436	3.2
69.07072	9.2
71.04996	2.5
77.03915	1.6
79.05496	20.6
81.07063	39.0
81.71283	1.2
83.04995	4.8
83.08608	3.0
85.06537	1.4
91.05489	23.0
93.07050	34.6
95.04969	8.0
95.08609	31.6
97.06529	7.8
97.10191	1.3
103.05440	1.3
105.07040	36.0
107.04986	1.2
107.08598	30.9
109.06538	9.7
109.10165	14.6
111.08080	6.0
115.05505	1.3
117.07030	7.3
119.08585	25.8
121.06502	7.9
121.10143	16.3
123.08035	5.8
123.11703	4.7
125.09657	2.7
128.06252	3.6
129.07010	7.3
130.07773	1.5
131.08577	23.0
133.06462	2.0
133.10136	22.3
135.08055	8.1
135.11711	10.8
137.09595	5.7
139.11096	1.8
141.06985	3.3
142.07838	3.0
143.08566	16.2
144.09299	2.6
145.06482	1.9
145.10130	26.8
145.50139	1.5
147.08046	4.8
147.11685	14.1
149.09648	9.9
149.13263	5.0
151.11182	2.6
153.06998	4.2
155.08536	10.6
156.09348	4.1
157.10138	23.5
159.08047	2.4
159.11705	20.0
161.09615	8.0
161.13274	8.6
163.11218	5.0
163.14853	1.2
165.06967	2.1
167.08536	1.4
169.10132	12.5
171.11708	11.2
172.12344	1.5
173.09679	4.2
173.13293	9.7
175.11234	7.2
175.14810	3.0
177.12772	3.4
179.08511	1.3
179.14383	1.9
181.06493	2.1
181.10173	4.8
181.12230	1.2
183.11655	12.5
185.13261	15.2
187.11194	5.0
187.14810	5.8
189.12798	2.5
191.14253	1.8
194.10997	1.9
195.11722	5.3
197.13329	7.7
199.11070	2.2
199.14807	10.7
201.12791	4.4
201.16310	2.7
203.14421	2.7
209.13332	5.7
210.14050	1.4
211.14848	5.7
213.09039	1.3
213.12866	3.0
213.16347	6.1
215.14346	3.1
215.17937	5.4
223.14871	5.4
224.15816	1.3
225.16368	18.5
227.14351	5.3
227.17979	6.1
229.15825	1.6
239.17874	2.8
241.15872	3.1
241.19574	1.8
243.17465	16.6
253.19499	2.5
255.17535	2.2
255.21068	14.0
265.19662	13.2
271.20615	4.1
273.22070	2.9
283.10516	1.6
283.20554	31.5
283.23663	1.9
286.04791	2.8
301.07089	5.3
301.10846	8.7
301.21631	100.0
302.17493	2.0
302.21945	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05502	2.6
57.03419	0.6
57.07060	0.8
67.05498	6.0
69.03425	0.9
69.07061	4.0
69.55692	2.5
71.04977	2.0
79.05497	6.6
81.03447	0.7
81.07053	13.6
83.04967	1.5
83.08607	1.3
85.06525	1.0
91.05473	5.6
91.53299	0.5
93.07040	10.7
95.04967	10.5
95.08608	9.5
97.06533	3.4
98.22671	1.3
98.97580	1.2
99.04462	1.0
102.96819	0.6
105.04482	0.6
105.07027	11.3
107.08599	8.3
109.06510	3.3
109.10155	5.6
111.04394	0.6
111.08089	1.5
116.98620	0.8
117.07026	2.8
119.08578	10.4
121.06539	1.8
121.10146	5.9
123.08121	2.7
123.11716	2.0
125.09657	0.9
128.06204	0.8
129.07013	2.8
130.07840	0.9
131.08586	6.1
133.06541	0.7
133.10130	5.9
135.08034	2.6
135.11690	2.1
137.09598	1.3
141.06963	0.9
142.07784	1.2
143.08594	4.4
144.09331	1.5
145.10121	10.6
147.08054	1.1
147.11679	5.0
149.09592	1.5
149.13264	1.7
153.01823	1.0
153.07001	0.8
155.08527	2.2
157.10106	5.7
159.08023	0.7
159.11690	7.0
161.09645	1.9
161.13261	2.2
163.11151	1.5
163.14769	0.8
165.07043	0.6
167.08583	0.9
169.10133	2.5
171.11687	6.0
173.09663	1.1
173.13295	3.4
175.11215	2.3
175.14864	1.5
175.21664	0.6
177.12854	1.0
181.10104	2.4
183.11674	3.9
185.13251	4.2
187.11244	1.1
187.14786	4.1
189.12740	1.2
189.16347	1.0
194.10811	0.8
195.11543	1.4
197.11539	0.8
197.13284	2.4
199.11180	1.1
199.14806	2.8
201.12737	1.7
201.16339	2.4
203.14375	0.8
204.32164	0.6
209.13269	3.2
211.14777	1.7
213.12811	1.0
213.16409	1.6
215.14296	1.3
215.17975	0.9
223.14909	1.6
225.16371	4.1
227.14360	1.3
227.17986	2.2
229.04967	1.7
229.15941	1.9
233.15343	0.6
237.16481	0.9
239.17830	0.8
241.08757	0.7
241.15927	1.4
241.19281	1.1
243.17458	3.9
245.18884	0.8
253.19595	1.1
255.21161	3.7
257.18900	0.7
258.05219	40.1
259.05655	2.2
265.19516	4.5
269.17407	0.9
271.20551	0.8
273.22037	0.7
283.20544	14.2
286.04697	52.7
287.04968	2.7
301.07065	100.0
301.21609	31.8
302.07385	7.3
302.22110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.06323	1.2
53.03941	1.5
55.01855	2.2
55.05510	11.3
57.03435	3.0
57.07059	3.4
59.04982	1.3
60.22992	1.1
65.03945	1.8
67.05508	17.0
69.03429	5.9
69.07065	17.8
69.23392	7.1
71.04980	4.4
77.03951	1.8
79.05489	20.0
81.03415	1.6
81.07053	40.6
81.32419	1.3
83.04987	3.4
83.08614	4.8
85.06530	3.4
91.05471	23.3
93.07043	41.6
95.04964	12.5
95.08601	32.5
95.09209	1.8
97.06537	6.8
97.10143	1.8
98.97579	2.1
99.08079	2.2
102.88156	1.3
105.04465	1.7
105.07027	38.8
107.04934	2.3
107.08588	42.1
109.06512	11.0
109.10147	21.0
111.08072	3.2
117.07021	9.9
119.07323	1.3
119.08582	33.0
121.06528	6.9
121.10133	24.7
123.08041	7.1
123.11713	9.2
125.09657	2.8
127.07568	1.3
127.11217	1.6
128.06235	3.8
129.07021	7.6
130.07758	3.1
130.64325	1.2
131.08560	22.6
133.06496	2.0
133.10127	29.1
134.10445	1.5
135.08034	7.7
135.11682	26.5
137.09615	6.3
137.13216	2.0
139.11157	3.0
141.06993	2.0
142.07768	4.4
143.08556	19.8
144.09323	3.6
145.10115	30.3
147.08043	5.9
147.11679	18.4
149.09581	7.7
149.13242	4.9
151.03696	1.4
151.11195	6.3
153.06998	3.1
153.09113	1.5
155.08568	5.9
155.10600	1.5
156.09358	4.6
157.10123	21.5
159.08075	2.0
159.11681	26.3
160.08714	1.4
161.09613	8.2
161.13234	11.1
163.11183	9.8
163.14726	1.7
165.06963	1.5
165.09126	1.4
167.08594	2.0
169.10162	10.1
171.11700	16.6
173.09605	4.4
173.13237	17.0
175.11203	6.7
175.14832	5.2
177.12756	3.7
179.08553	2.0
181.06412	1.9
181.10141	5.1
182.10942	1.7
183.11664	6.9
185.09659	2.6
185.13269	14.7
187.11148	4.2
187.14781	9.6
189.12767	4.9
189.16486	2.7
191.10626	2.1
191.14355	3.6
194.10953	3.1
195.08076	1.5
195.11722	5.8
196.12378	1.8
197.05794	1.3
197.13246	6.4
199.11322	2.4
199.14798	13.3
201.12752	4.2
201.16435	3.3
203.14311	2.4
205.12218	1.8
205.15874	1.5
209.13223	10.8
210.13927	1.8
211.14781	5.4
213.12727	3.1
213.16380	7.8
215.14304	3.5
215.17920	3.7
217.15714	2.6
223.14796	6.9
225.16325	8.1
227.14432	6.4
227.17955	5.2
229.15910	1.8
231.13860	2.3
235.14748	1.6
237.16339	3.1
239.18011	2.1
241.08583	1.9
241.15941	3.3
241.19498	3.8
243.17438	3.8
245.15428	2.6
255.17476	3.0
255.21060	22.4
265.19531	13.4
273.22089	2.9
283.20557	44.4
284.21078	1.7
301.07602	1.4
301.10602	8.5
301.14304	3.9
301.21597	100.0
302.21918	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01324	0.7
53.03941	1.8
53.42817	1.1
55.01889	1.1
55.85242	0.7
56.96579	0.9
57.03437	2.6
57.07046	1.0
58.06594	1.1
61.02934	2.5
65.03937	1.8
67.05510	30.6
69.03436	16.0
69.07077	8.0
69.72578	2.7
69.72944	1.5
70.06597	2.4
71.05036	1.0
72.08160	1.5
73.02934	2.3
77.59972	0.8
81.03423	3.9
84.08152	5.8
85.02915	35.3
86.03271	1.0
86.09709	4.4
94.05416	0.8
94.06606	1.8
95.04975	48.2
96.05310	1.8
96.08128	1.4
97.02901	31.3
98.22746	1.5
98.97611	2.9
99.04475	1.4
103.03964	3.2
105.07057	0.8
107.04937	1.5
109.02892	5.9
110.07207	0.9
112.07614	35.6
113.06030	3.3
113.07983	1.4
116.98655	1.9
118.14257	0.7
122.06046	1.9
122.09699	3.4
124.07619	2.0
125.09644	0.9
127.03936	6.1
129.10295	1.0
130.06467	0.8
134.06042	1.3
136.07622	2.5
137.05994	2.4
140.07077	100.0
140.10718	3.5
141.07481	1.4
145.05005	3.1
150.09200	1.0
152.07086	1.2
154.08659	6.0
156.97028	0.8
158.08138	0.9
158.11798	7.2
164.07062	2.0
177.05479	1.1
178.08693	2.4
182.08148	62.8
183.08463	1.1
194.08113	1.0
206.08144	11.0
218.08168	2.9
236.09212	3.6
248.09195	8.0
266.10172	0.9
278.96808	2.2
278.99829	0.9
286.10422	0.9
296.97879	0.9
302.12863	22.2
302.19751	14.0
303.09558	0.9
303.14017	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1963
Annotation	Floridimine
Peak:m/z	Relative Intensity
55.05510	0.8
58.06590	0.6
69.07060	0.8
70.06579	1.2
72.07792	0.5
72.08156	6.9
73.06538	0.8
73.82941	0.3
79.05493	0.4
81.07049	1.1
82.06558	0.4
83.07358	4.8
84.04510	0.3
84.08143	4.4
85.02918	0.6
86.09700	9.1
93.07045	0.4
94.93768	0.2
95.08621	0.6
96.08130	0.9
97.02893	0.4
97.08900	0.7
98.97568	0.4
100.07598	0.4
102.96883	0.3
107.04933	0.5
110.09685	2.6
113.91010	0.3
116.98594	0.3
118.08617	0.6
120.08099	0.4
122.09692	1.7
123.10494	0.3
124.11229	10.9
132.10190	0.8
137.05988	0.5
140.10703	6.8
141.11485	8.6
143.11765	4.3
157.13347	2.8
158.11757	100.0
159.12119	2.3
171.11290	2.7
176.07095	0.8
182.08125	0.3
185.12842	1.8
189.12358	0.6
189.31166	0.3
217.39697	0.3
258.17014	1.2
266.17395	0.4
278.96741	0.9
278.99677	0.3
284.12781	0.6
284.18475	1.5
296.97794	0.5
302.19595	96.3
303.14041	0.3
303.19879	4.3
305.44604	0.3
313.58972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05496	0.5
56.05025	0.7
57.03440	0.5
57.07903	0.4
61.02914	2.2
65.03947	0.5
66.27838	0.4
67.05499	1.9
68.99776	2.1
69.03436	0.8
69.07063	7.0
70.06586	1.1
71.45962	0.4
72.08144	0.7
73.02904	1.1
73.03848	0.4
75.05602	15.1
76.61109	0.4
79.05492	0.7
81.03423	1.2
81.07054	2.6
84.08162	0.5
85.02892	3.7
86.09702	95.9
87.05602	0.6
87.10035	1.9
88.04019	0.7
91.03960	2.5
91.05485	1.0
93.03429	0.9
93.07034	1.1
94.06562	0.4
95.04961	1.2
95.08599	1.2
97.02880	1.5
97.10233	0.4
98.06057	0.9
98.97627	0.6
102.96835	0.5
105.07018	0.9
106.05004	0.6
107.08608	0.6
109.02885	1.4
111.00785	1.4
116.07085	1.6
117.06967	0.7
121.02866	2.0
123.04449	0.7
127.03893	1.9
132.10194	11.7
135.04419	0.6
137.02345	7.2
137.03358	0.9
137.05972	1.0
143.11794	88.9
144.12149	1.6
145.04996	1.5
145.06506	0.8
149.02388	0.8
153.01816	9.3
155.04875	0.8
161.05974	0.7
162.05501	0.9
163.03944	0.8
163.06007	2.0
165.01888	2.6
171.11279	26.7
172.11676	0.7
173.06044	0.9
176.07053	0.8
176.37923	0.5
179.03345	0.6
183.02873	1.1
183.04381	0.9
187.03955	0.8
189.12366	1.2
201.05493	4.4
204.06505	0.9
207.02878	0.5
212.16429	0.6
213.05409	0.6
218.05290	0.6
219.06435	0.7
220.13416	1.1
229.04961	8.3
238.14336	0.9
239.03378	0.8
243.11577	0.5
245.18687	0.6
247.06000	1.0
257.04416	3.8
258.16983	1.0
274.04642	2.2
278.96799	1.0
280.37143	0.5
284.19055	0.6
285.03928	1.8
285.12216	0.5
302.04050	2.2
302.13580	2.1
302.19675	1.8
302.25858	0.5
303.04968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05499	0.5
57.03445	0.6
58.20095	0.4
61.02924	1.6
65.03919	0.6
67.05505	1.3
68.99789	1.7
69.03439	0.7
69.07073	6.5
70.06590	0.9
72.08155	0.5
73.02929	0.7
75.05605	13.9
75.06031	0.7
77.74650	0.4
79.05508	0.9
81.03415	1.5
81.07056	1.5
82.06593	0.4
84.08125	0.5
85.02899	2.5
86.09711	85.6
87.05627	0.4
87.10049	1.2
91.03958	2.9
91.05482	0.9
93.07041	0.6
95.04974	1.1
95.08599	0.6
97.02911	0.9
97.06573	0.5
98.06070	1.0
98.97603	0.6
105.07030	1.0
107.04978	0.5
109.02903	1.0
109.10136	0.7
111.00816	1.9
115.05434	0.4
116.07076	1.2
116.98607	0.4
117.06972	0.6
120.18131	0.4
121.02853	1.7
123.04408	0.6
127.03916	1.6
131.04912	0.4
132.10214	9.2
133.10231	0.5
135.04445	0.5
137.02359	8.1
137.03366	0.9
137.06009	1.7
143.11803	75.9
144.12219	1.0
145.04926	2.0
147.04271	0.5
149.02382	1.0
153.01826	9.1
155.04959	0.7
162.05508	0.9
163.03923	1.3
163.06044	1.5
165.01831	3.9
168.13734	0.4
171.11288	21.2
173.06017	1.7
176.07056	1.3
179.03444	0.4
183.02878	1.1
183.04344	1.1
187.03912	0.7
189.10634	0.4
189.12338	0.8
191.03465	0.4
201.05449	4.4
204.06572	1.2
218.05290	0.6
219.06529	0.6
220.13309	0.8
228.04233	0.7
229.04953	9.6
230.20525	0.7
238.14330	0.9
246.04858	0.7
247.06012	1.1
256.19217	0.5
257.04446	4.5
258.17136	0.6
274.04626	2.0
278.96872	0.9
284.18481	1.0
285.03912	2.8
302.03888	2.1
302.13766	1.2
302.16699	0.7
302.19553	2.6
303.04993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04883	0.3
55.93526	0.3
56.96557	2.5
61.78461	0.3
67.05500	0.3
69.07049	0.5
70.06583	2.5
71.86986	0.3
72.08154	4.0
75.05598	0.5
79.05507	0.5
81.04554	0.4
82.99498	0.3
82.99905	0.9
84.04475	0.5
84.07277	0.3
84.08150	2.1
85.02898	0.3
86.09710	3.2
86.88109	0.3
87.05593	0.6
98.97578	9.5
98.98251	0.5
99.97929	0.5
101.00894	2.6
102.96868	0.7
107.04965	1.2
110.07175	0.9
110.08411	0.3
112.07581	0.4
116.98611	6.4
117.98964	0.4
118.08759	0.4
118.98186	0.4
119.01913	10.7
120.02057	0.8
120.97912	0.7
121.01668	0.4
129.10258	1.1
133.06114	1.6
134.05907	0.3
134.99673	3.2
137.02953	3.0
137.06062	0.4
140.08218	0.5
141.10179	0.7
142.03476	0.4
143.11804	1.4
146.05991	1.2
148.07556	1.8
155.00188	1.0
156.10120	0.3
158.06053	0.5
158.99911	0.9
160.99644	0.8
173.01245	0.6
174.97658	0.6
175.12044	0.3
176.04045	0.5
177.00941	11.1
177.02496	0.7
178.01021	4.1
179.00693	10.2
180.00908	0.7
180.98122	0.3
182.99895	0.6
186.05519	0.4
187.15535	0.8
198.99347	0.4
201.00903	2.0
202.01016	0.6
203.00761	1.1
203.09372	0.5
210.06142	0.7
217.02299	0.6
217.04126	2.2
218.04280	0.8
218.06685	2.5
219.02005	20.7
220.02145	7.8
220.04401	0.5
221.01762	15.9
221.10463	0.5
222.02106	0.5
222.06108	0.4
224.86673	0.4
225.00900	2.4
226.01300	1.2
233.01678	0.7
233.03627	0.8
233.05504	0.4
234.03740	0.7
234.05998	0.8
234.99789	1.2
235.03343	11.2
236.03581	0.7
236.07724	1.1
236.99530	0.5
242.06587	0.7
242.98302	0.5
243.01984	11.8
244.02077	4.0
245.01744	0.6
253.00815	0.5
257.01669	0.5
260.07629	3.2
261.03113	100.0
262.00226	1.3
262.03180	35.5
262.99573	0.5
263.02869	8.1
275.02774	5.1
278.08740	1.5
279.02795	7.7
279.54904	0.4
279.97916	0.3
280.01007	1.0
281.00256	0.7
282.99734	0.4
284.04874	1.7
284.99661	2.4
285.04779	1.5
286.00024	0.4
286.05673	3.3
301.00861	0.5
303.02295	12.0
303.05725	4.9
303.10629	1.4
303.15234	0.5
303.20825	0.6
304.02545	0.8
304.06497	4.3
320.98270	0.8
321.03421	7.7
322.03894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84799	0.2
64.92798	0.2
66.76792	0.2
69.98415	0.5
69.98768	0.2
78.62563	0.2
82.99876	0.2
98.97577	1.2
101.00887	2.4
102.00989	0.3
107.04938	0.3
116.81094	0.2
116.98653	0.6
119.01928	5.8
120.02061	0.5
120.98080	0.2
134.99846	0.4
137.02960	0.7
137.72688	0.2
140.98857	0.3
158.99911	1.7
160.00044	0.3
165.99635	0.4
177.00955	10.4
178.01073	2.8
179.00711	0.5
182.99919	0.7
199.02942	0.2
201.00963	2.5
202.01064	0.7
205.41205	0.2
217.04097	2.3
218.04091	0.7
219.02022	18.2
220.02115	5.3
221.01889	1.4
225.00862	2.9
226.01195	0.7
236.99940	0.3
243.02005	12.2
244.02113	3.8
245.01732	0.5
256.96841	0.2
261.03064	100.0
262.03204	32.3
263.02887	6.3
277.00894	0.2
279.00751	0.9
279.03989	0.3
282.99951	0.4
284.04752	1.1
284.99878	2.5
285.04852	1.1
285.99960	0.3
286.04462	0.4
301.00964	0.5
303.00830	3.4
303.05527	6.4
304.01215	0.2
304.05460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.27652	0.2
53.03930	0.2
53.49372	0.2
54.25106	0.2
55.01842	0.3
65.03938	0.4
67.01860	0.2
68.99783	1.8
69.03403	0.2
69.11701	0.5
69.12103	0.8
81.03403	0.5
85.46032	0.2
86.09714	1.4
91.05483	0.3
92.60525	0.2
93.03415	0.5
94.65494	0.2
95.04967	0.7
97.02850	0.2
98.22666	0.3
99.82111	0.2
107.04998	0.3
109.02892	1.0
111.00803	2.1
117.06964	0.2
121.02879	2.2
123.04408	0.5
127.03915	0.5
129.06985	0.3
131.04939	0.2
135.04413	0.4
137.02348	7.8
137.03447	0.6
143.11807	1.1
145.06485	0.8
149.02327	1.0
153.01816	9.3
155.04900	0.8
159.04434	0.3
161.05969	0.6
162.15526	0.2
163.03923	1.2
165.01830	3.7
166.02533	0.4
173.02531	0.2
173.05937	1.5
177.05521	0.3
179.03494	0.4
181.06516	0.2
183.02858	1.2
183.04414	1.1
187.03911	0.7
191.03387	0.4
195.02901	0.6
201.05492	4.3
202.05676	0.3
205.04869	0.3
207.02934	0.3
211.03757	0.4
215.03345	0.2
219.06590	0.5
228.04164	0.5
229.04951	8.4
230.05345	0.4
239.03510	0.5
247.06166	1.0
257.04446	4.6
274.04645	1.5
275.05386	0.3
285.03958	2.5
292.91315	0.2
303.04971	100.0
304.05292	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.01870	0.3
55.05507	0.2
57.03490	0.1
65.03938	0.5
67.01862	0.2
67.05489	0.6
68.99787	1.9
69.03420	0.4
69.07059	0.5
70.06578	0.1
70.08823	0.3
71.04983	0.2
75.04428	0.2
75.05606	0.9
81.03415	0.7
81.07047	0.5
82.06552	0.2
83.04996	0.2
83.08620	0.1
84.08134	0.2
85.02898	0.3
85.71369	0.1
86.09707	5.7
87.10034	0.6
91.05468	0.3
93.03394	0.6
93.07038	0.2
95.04968	0.8
95.08595	0.3
97.02878	0.2
105.03397	0.2
105.07009	0.3
107.04945	0.2
107.08581	0.2
109.02855	1.0
110.07149	0.2
111.00790	2.0
111.04390	0.2
113.51852	0.1
115.05489	0.3
117.06978	0.2
119.05103	0.2
121.02870	2.2
123.04443	0.6
123.11672	0.2
127.03902	0.6
128.06233	0.2
129.07062	0.1
131.04892	0.2
131.08600	0.2
132.10176	0.6
135.04417	0.4
137.02350	6.9
137.03462	0.6
137.05969	0.8
143.11797	4.9
144.12157	0.8
145.06488	0.6
149.02362	0.8
153.01823	9.2
154.02107	0.2
155.04871	0.9
161.05989	0.8
163.03931	1.2
165.01833	3.9
165.05493	0.2
166.02618	0.4
171.11295	1.1
172.11613	0.3
173.05934	1.6
177.01826	0.2
177.05522	0.2
179.03374	0.4
183.02892	1.4
183.04402	1.1
185.05986	0.2
187.03891	0.8
191.03380	0.4
191.07048	0.3
195.02939	0.5
201.05463	4.3
205.05043	0.4
207.02893	0.2
211.03886	0.4
213.05536	0.2
215.03273	0.2
219.02928	0.4
219.06532	0.4
228.04178	0.6
229.04964	9.6
230.05261	0.3
239.03493	0.4
245.04472	0.2
246.05257	0.2
247.05986	1.3
248.06493	0.2
257.04443	5.3
258.04831	0.3
274.04724	1.5
275.05353	0.3
285.03946	2.7
286.04626	0.2
302.19617	0.2
303.04968	100.0
304.05298	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.01867	0.3
55.05508	0.1
57.14313	0.1
60.04513	0.1
62.37606	0.1
65.03943	0.4
67.01853	0.3
67.05502	0.3
68.99426	0.1
68.99783	1.8
69.03419	0.2
79.05487	0.1
81.03410	0.7
81.07040	0.2
83.08605	0.1
85.02895	0.1
86.09701	0.1
87.72013	0.1
91.05470	0.3
93.03402	0.6
93.07030	0.1
95.04967	0.9
95.08605	0.1
97.02885	0.1
103.05450	0.1
104.55724	0.1
105.03390	0.2
105.07008	0.2
107.01293	0.1
107.04948	0.2
107.08608	0.1
109.02877	1.0
110.03609	0.1
110.20737	0.1
111.00799	1.7
111.04421	0.1
115.05431	0.2
117.07007	0.3
119.04915	0.1
120.75425	0.1
121.02856	2.0
121.03768	0.1
123.04413	0.6
127.03931	0.4
128.06232	0.1
129.06975	0.1
131.04916	0.4
131.08586	0.1
133.02838	0.1
133.06450	0.1
135.04390	0.5
137.02339	7.2
137.03403	0.4
137.05942	0.4
138.02626	0.1
139.80103	0.1
143.04887	0.1
143.11812	0.1
145.02837	0.1
145.06468	0.5
145.10136	0.1
149.02328	0.7
149.05977	0.1
151.03831	0.1
153.01816	9.0
154.02110	0.2
155.04912	0.8
155.06035	0.1
157.06509	0.2
159.04398	0.3
161.05978	0.6
163.03906	1.2
165.01825	3.6
166.02655	0.6
171.02975	0.1
171.04370	0.1
173.02431	0.1
173.05981	1.1
177.01781	0.2
177.05429	0.2
179.03374	0.4
183.02859	1.4
183.04410	0.8
183.11307	0.1
184.03310	0.1
184.05063	0.1
185.05968	0.1
187.03876	0.7
191.03430	0.4
191.06999	0.2
193.12268	0.2
194.01958	0.1
195.02879	0.5
201.05450	3.8
202.05803	0.1
205.04948	0.4
207.02933	0.2
211.03931	0.3
213.05469	0.2
215.03358	0.2
217.04939	0.1
219.02855	0.3
219.06570	0.4
228.04222	0.5
229.04951	8.6
230.05345	0.3
232.03748	0.1
233.04314	0.1
239.03497	0.4
245.04410	0.2
246.05225	0.1
247.06013	1.2
256.03601	0.2
257.04434	4.5
258.04886	0.3
261.03802	0.1
267.02979	0.1
267.16010	0.1
274.04691	1.3
275.05341	0.4
285.03934	2.2
286.04501	0.2
302.04095	0.1
303.04962	100.0
304.05304	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20609	0.6
56.96564	29.8
57.64970	0.5
62.85134	0.5
69.07055	0.8
70.06601	0.6
70.14258	1.7
70.69337	0.6
71.95268	0.5
72.08147	1.7
73.06577	0.7
74.97636	1.3
84.08169	0.5
85.02903	0.6
86.09689	1.5
97.99200	0.9
98.97584	12.4
107.04940	1.5
110.07164	1.3
116.98628	8.6
117.05753	0.8
131.00206	0.6
132.08089	3.9
134.99661	1.8
140.51544	0.7
144.96861	0.9
156.01187	1.0
159.11307	0.9
173.97716	0.6
174.02275	22.9
188.03821	6.9
192.03323	34.5
193.03642	0.9
195.18279	0.6
197.03960	1.4
204.03336	1.7
206.04901	12.0
207.02020	1.3
208.02834	1.0
210.04347	4.8
215.04919	20.8
217.06496	18.5
218.06757	0.6
220.02785	2.5
222.04407	2.8
224.05957	2.1
225.03113	0.7
229.02769	1.4
231.04405	2.0
233.05995	10.9
234.04407	0.9
235.07515	14.1
238.03879	0.9
243.04401	9.5
247.03943	2.5
249.05415	1.2
258.04404	3.5
261.05469	100.0
262.05872	3.8
276.05307	1.3
279.06519	61.3
280.06787	2.2
284.07059	2.5
286.03857	1.9
303.06644	6.1
303.10507	4.7
303.14090	14.0
304.05002	0.9
304.09399	0.6
318.07779	0.7
321.11868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56099	0.6
56.96567	3.4
69.07059	1.0
70.06596	3.4
71.45663	0.8
72.08148	2.1
74.02454	0.7
81.04530	0.5
82.99894	1.6
83.06109	0.9
84.08141	2.7
86.09698	2.2
87.05593	0.7
98.22755	0.7
98.97589	10.7
100.97166	0.6
101.00889	13.2
102.00948	0.9
102.96883	1.1
103.05478	0.7
104.53145	0.6
106.81573	0.6
107.04955	3.7
110.07170	8.4
112.07602	0.7
116.98618	6.4
118.08627	1.5
119.01930	39.7
120.02014	2.3
120.08114	1.8
121.01669	0.8
128.10732	1.0
130.03476	1.4
130.06508	0.7
131.04860	0.9
133.05208	0.8
133.06096	2.6
134.06024	1.7
134.99692	1.8
137.02962	10.0
138.72069	0.6
143.11790	1.4
146.06009	9.8
148.07573	18.8
149.07941	0.7
158.06021	4.7
158.99905	1.1
159.06837	0.8
160.99672	0.6
161.02956	0.8
165.05373	0.7
172.77551	0.6
173.01321	0.8
174.02602	0.6
174.04166	0.6
175.08682	0.5
176.04088	0.7
177.00963	10.5
178.01068	3.3
179.00758	2.5
183.05331	0.6
186.05501	2.9
187.15520	2.8
200.05574	2.6
201.00945	1.7
202.01064	0.7
202.03584	0.8
203.09402	0.9
204.05113	1.1
205.02188	0.9
210.06178	1.9
215.04182	1.3
216.98653	0.7
217.04074	2.5
218.06633	23.1
219.02019	21.6
219.03687	0.6
219.07065	1.8
220.02156	6.7
220.04567	4.2
221.01833	5.2
222.02046	0.6
222.06120	1.2
225.00990	2.7
232.04573	1.1
232.08211	0.9
232.60497	0.6
233.05409	3.5
234.06056	3.3
234.99710	1.9
235.03314	5.0
235.09322	0.6
235.70683	0.6
236.07695	9.4
242.06587	8.1
243.02010	10.6
243.06850	0.8
244.02177	3.2
244.04640	2.2
245.01917	1.2
251.06462	0.7
256.96323	0.8
258.06088	2.8
258.99976	0.9
260.07700	31.9
260.99832	3.8
261.03082	100.0
261.07635	3.4
262.00284	1.4
262.03198	34.7
262.99081	0.9
262.99963	1.0
263.02930	8.3
275.02805	1.0
276.07306	2.3
278.08759	11.6
279.00323	4.1
279.08588	1.2
279.98270	0.8
280.01031	1.0
284.04605	1.0
284.99792	2.7
285.04651	1.4
285.07379	1.3
286.05615	28.6
287.05762	1.8
302.97659	0.6
303.01379	2.2
303.05533	2.9
303.07971	8.2
303.10696	5.0
303.14703	1.0
304.06677	35.9
305.06833	3.4
320.97952	0.7
321.03500	1.0
321.09409	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	41.3
60.12450	5.9
61.45061	6.6
65.10790	5.9
65.29426	5.3
70.04536	16.1
70.06580	28.8
71.03075	5.9
71.64051	5.5
72.08144	11.3
78.98557	5.9
83.06068	8.3
84.08128	19.6
84.94444	6.9
86.09701	74.6
98.97596	25.9
107.04930	28.5
110.07152	44.3
116.98606	17.0
123.04459	12.4
124.07619	9.6
124.08571	7.0
125.07104	25.3
129.10196	9.6
133.05949	7.9
141.05348	10.5
141.10181	7.7
142.09732	7.3
143.11754	14.2
155.00122	9.9
155.11768	12.2
157.13284	11.2
183.11244	8.8
187.15591	12.3
188.84830	7.1
200.13876	15.0
211.92528	6.0
239.13849	8.4
241.05945	5.9
261.03021	11.0
271.16516	18.5
278.91565	6.0
279.00497	7.0
286.14426	7.2
303.08328	100.0
303.10837	50.2
303.18729	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43469	2.1
53.03925	3.9
55.01855	5.6
55.05513	19.1
57.03437	3.3
59.04982	2.1
65.03947	2.3
67.05213	2.2
67.05508	29.8
69.03429	4.2
69.06748	2.6
69.07067	23.6
69.36918	9.0
71.01347	2.4
71.04984	10.2
73.06535	2.4
79.05493	29.0
80.67868	2.2
81.07058	71.8
82.07404	2.0
83.04986	19.8
83.08613	13.7
85.06548	12.5
91.05477	29.3
93.07044	100.0
95.04965	24.2
95.08022	4.1
95.08608	69.3
97.02956	1.7
97.06535	42.0
99.04454	19.2
99.08105	4.3
105.04510	3.6
105.07027	55.9
106.07352	2.2
107.04914	4.2
107.08596	49.4
109.06516	26.0
109.10168	20.6
110.07024	2.0
111.04453	2.9
111.08077	23.0
113.05969	4.7
115.07554	2.6
117.07002	6.3
119.07745	2.9
119.08582	43.6
121.06501	45.8
121.10159	21.8
123.04444	6.0
123.08067	12.6
123.11694	12.4
125.05968	25.2
125.09621	4.3
127.07549	12.0
128.06297	2.3
129.06981	6.2
129.60634	1.8
131.08568	16.6
133.06470	3.7
133.10124	41.6
135.04408	3.8
135.08049	11.7
135.11668	8.9
137.05952	16.0
137.09578	3.3
138.05501	6.0
138.09114	2.6
139.07533	36.2
139.11250	1.9
141.05417	3.5
142.07774	6.5
143.07019	15.7
143.08553	10.4
145.10086	18.4
147.08026	5.4
147.11685	75.7
148.04039	2.0
149.09636	4.5
149.13263	13.6
151.07513	6.0
151.11171	6.2
153.09048	4.7
155.07112	3.7
155.08495	4.7
157.08591	25.7
157.10109	23.6
159.06557	11.6
159.11688	12.3
161.05962	3.6
161.09624	5.0
161.13252	18.8
163.11171	3.0
163.14796	4.5
165.09109	2.7
165.12761	26.8
166.05019	12.5
169.08681	2.4
169.10129	3.2
169.12231	7.8
171.10178	4.4
171.11674	19.7
173.08118	5.8
173.09653	6.2
173.13239	7.2
175.11186	53.4
175.14742	2.3
177.12656	2.1
181.10107	4.1
183.11662	5.8
185.13278	3.7
187.14862	3.9
189.12741	37.6
190.12987	2.1
191.10611	5.0
191.14304	2.9
193.12257	42.9
197.13214	2.9
199.11217	14.7
199.14830	3.4
201.16406	2.8
203.10727	3.2
207.13821	18.5
209.15387	3.4
211.13264	13.3
211.14949	3.3
213.16425	2.7
217.12238	73.0
218.07210	3.1
218.12593	2.5
221.15370	5.1
225.14804	19.3
227.17911	9.7
229.14270	2.5
235.13281	59.2
243.15878	10.0
246.06708	7.0
249.14857	19.1
250.14850	2.3
253.14313	41.5
257.12836	6.3
260.04556	2.8
267.15970	23.3
267.20944	6.6
272.11472	3.5
274.09323	2.4
275.06918	9.2
285.12305	5.9
285.16995	9.1
285.22046	15.9
303.06421	33.4
303.10104	1.2
303.13309	35.7
303.23154	33.8
304.06927	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05508	17.5
57.07065	5.5
62.17022	3.2
65.03944	2.8
65.32475	2.3
67.05505	20.9
69.07066	16.8
72.04515	3.4
79.05481	19.3
81.07054	48.9
83.08624	7.5
84.55781	3.2
91.05472	26.1
93.07040	29.3
95.04963	4.5
95.08602	49.9
97.06505	5.5
97.10185	4.3
100.74087	2.4
104.99271	2.6
105.07027	39.1
107.08583	33.3
109.06526	4.6
109.10161	40.4
111.08066	3.5
113.05984	4.4
117.07024	5.0
119.08572	32.1
119.84615	2.6
121.06483	4.3
121.10157	20.5
123.08087	7.6
123.11710	18.1
125.09633	4.9
129.07018	5.7
129.79599	3.4
131.08589	18.1
133.10126	24.2
135.08031	5.1
135.11691	11.1
137.09560	3.4
137.13232	4.7
141.06998	2.6
143.08609	4.7
145.10074	17.8
147.11700	20.4
149.13232	22.9
151.11185	5.7
155.08632	3.9
157.10107	8.3
159.11710	11.0
161.09645	3.1
161.13242	20.0
163.11142	4.1
163.14859	7.0
165.12769	4.4
169.10051	4.2
171.11671	6.4
173.13234	12.6
175.11159	5.4
175.14854	10.7
177.12788	3.0
179.10689	3.4
183.11748	3.6
185.13286	7.9
187.14833	10.5
189.16360	4.3
191.14336	4.3
191.77861	2.5
199.14836	6.3
201.16367	9.5
203.14282	3.6
205.15967	4.6
211.14720	5.6
215.17998	4.4
225.16360	3.3
227.17946	4.9
229.19545	5.0
243.21159	4.1
245.22563	3.8
255.21136	10.1
257.22632	21.1
267.21155	12.9
273.22098	13.4
285.22162	38.0
303.19781	5.9
303.23184	100.0
303.26846	27.7
303.30527	6.1
304.23471	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.82569	2.6
55.05508	15.6
56.96564	5.9
57.03425	3.4
57.07060	5.2
63.47466	3.2
67.05500	30.4
68.09116	2.5
69.03425	5.8
69.07064	30.7
70.01949	7.3
71.04977	8.3
79.05489	34.9
81.07058	70.8
83.04946	5.4
83.08608	10.3
85.06534	6.4
91.05478	38.8
93.07047	70.5
95.04942	11.0
95.08603	62.1
96.96959	2.7
97.06502	12.0
97.10158	7.1
99.04457	3.2
99.08103	7.6
104.83191	2.6
104.99274	3.9
105.07024	57.4
107.04972	3.0
107.07915	5.0
107.08588	57.3
109.06481	8.9
109.10149	35.9
111.08091	7.8
113.05949	2.7
117.07002	11.6
119.07748	4.0
119.08572	61.3
119.77150	2.8
121.06506	5.6
121.10141	39.7
123.08034	12.0
123.11704	18.7
125.09623	3.6
127.11191	3.8
129.07005	7.4
130.07706	3.1
131.08560	30.9
133.10109	45.6
135.08047	7.6
135.10928	2.9
135.11703	32.0
137.09599	10.2
137.13248	5.7
139.11130	5.8
141.06949	2.9
142.07698	2.9
143.08598	13.1
145.10127	36.1
147.08020	9.6
147.11690	33.7
149.09575	8.7
149.13225	23.8
151.11162	5.9
155.08536	9.1
157.10091	17.2
159.11678	31.5
161.09572	7.9
161.13274	20.0
163.11153	10.2
163.14803	5.9
165.12701	3.5
169.10115	9.8
171.11671	13.3
173.13243	15.6
175.11195	4.6
175.14822	27.4
179.14307	2.9
183.11687	8.8
185.13228	7.9
187.14810	16.1
189.16377	6.4
193.15906	4.9
194.06184	2.8
197.13237	8.6
198.13777	2.8
199.14810	8.3
201.16364	12.8
211.14864	14.0
213.16365	7.5
215.17821	3.3
225.16425	6.8
227.17834	11.6
229.15889	5.4
229.19334	2.9
242.24721	5.7
243.20930	3.6
257.22556	19.0
267.21112	35.1
268.21378	3.2
281.10437	5.6
285.22092	45.5
299.11649	4.7
302.11850	3.1
303.06448	10.8
303.16101	3.6
303.19803	5.9
303.23105	100.0
304.23495	6.5
304.28430	11.2
305.80057	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03936	3.7
55.05513	19.1
56.49850	2.0
57.03426	4.2
57.07068	2.1
61.73067	1.9
65.03939	4.2
67.05164	2.5
67.05504	41.3
69.03410	5.0
69.07060	22.2
71.04996	7.0
75.04453	3.8
77.03886	1.8
79.05487	39.1
81.03419	2.1
81.06563	4.1
81.07048	82.5
83.04960	5.8
83.08609	8.0
85.06530	4.0
91.05474	36.1
91.05989	4.3
92.05011	2.1
93.07035	100.0
94.07383	2.7
95.04969	16.2
95.08598	79.6
97.06519	21.7
97.10156	5.5
99.04454	2.2
99.08022	2.0
105.04530	3.4
105.07021	66.1
106.07365	2.2
107.04928	2.7
107.08584	69.7
108.08932	2.1
109.06501	17.4
109.10136	32.4
110.07122	2.3
111.08077	9.3
113.05969	2.0
117.07011	8.7
119.08580	50.0
119.11300	1.9
120.08077	3.6
121.06512	14.4
121.10133	46.3
123.08039	12.2
123.11703	15.0
125.06006	6.0
125.09608	4.9
129.07016	7.3
131.08566	24.1
133.06551	2.4
133.10130	48.1
135.08051	8.7
135.10672	1.7
135.11679	35.5
137.05956	20.9
137.09593	6.9
137.13266	3.5
138.05484	8.9
138.09132	3.5
139.07527	7.5
139.11087	2.5
141.07034	2.2
142.07770	6.4
143.07022	4.7
143.08548	16.7
144.09290	2.8
145.10118	35.4
147.08014	4.1
147.11676	38.4
149.09625	6.0
149.13292	13.4
151.07559	5.0
151.11179	8.4
153.09100	3.8
153.12770	2.3
155.08533	6.4
155.10632	3.1
156.09299	4.5
157.08794	3.3
157.10101	20.3
159.06476	2.4
159.11687	23.7
161.09592	3.9
161.13228	22.0
163.11172	6.9
163.14799	8.0
165.12737	6.8
166.04942	12.4
169.10164	3.5
171.10428	2.8
171.11644	15.4
172.12199	2.1
173.09566	2.5
173.13260	21.2
175.11185	15.5
175.14847	5.5
177.12721	4.4
179.10681	4.1
181.10127	2.1
181.12308	2.4
183.11659	9.2
185.13240	14.7
187.14873	10.9
187.16518	1.8
189.09026	3.3
189.12695	11.0
189.16382	6.1
191.10657	4.5
191.14311	5.4
193.12300	11.0
193.13797	2.2
197.13245	7.4
197.94679	1.9
199.11238	3.9
199.14841	9.2
201.16403	7.8
203.10515	2.3
203.14252	3.1
203.17967	2.2
207.13910	2.7
211.14787	6.5
213.16383	6.6
215.17989	2.9
217.12277	15.0
217.15862	3.8
221.15225	2.6
225.14603	3.1
225.16479	4.9
227.17935	29.6
229.19412	13.7
235.13268	14.1
241.19531	4.2
243.15791	3.2
243.21146	2.3
245.18895	7.1
246.06636	2.7
249.14810	3.2
253.14372	6.7
255.21051	8.6
257.12811	5.7
257.22620	5.6
267.15918	5.0
267.21057	20.7
271.09598	3.0
274.09647	2.9
275.06906	4.2
285.12277	7.8
285.22070	43.4
286.10767	3.6
286.22546	2.5
303.06708	11.8
303.13321	43.1
303.23157	98.4
304.23389	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2322
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03965	3.7
55.05515	14.7
57.03440	6.9
57.07072	3.3
67.05501	34.3
69.03416	5.1
69.07068	16.5
70.42566	6.4
71.04993	5.7
79.05502	31.0
81.07062	72.5
82.21664	2.7
83.04981	5.0
83.08643	6.3
84.20744	3.4
85.06547	4.8
91.05497	26.5
93.07055	66.5
95.04977	11.2
95.08611	56.9
97.06529	16.3
97.10165	4.6
101.15076	3.0
105.07030	49.7
107.04940	6.4
107.08599	61.5
109.06516	14.1
109.10167	33.7
111.08105	6.8
113.06061	3.9
117.07021	11.4
119.08599	45.6
121.06477	5.1
121.10153	37.3
122.03625	4.4
123.08090	6.9
123.11768	15.6
125.09646	4.8
129.07059	5.2
131.08572	24.8
133.06458	3.8
133.10147	40.1
135.08058	11.2
135.11696	21.6
137.05988	100.0
137.09654	7.8
137.13278	4.1
138.06383	4.6
139.11221	3.4
143.08586	14.1
145.10141	38.3
147.11696	25.5
149.09579	4.9
149.13271	13.5
151.11176	4.3
153.07016	3.6
155.08574	7.8
155.10677	3.7
157.10109	17.6
157.25063	2.7
159.08170	3.8
159.11681	28.2
161.09692	4.4
161.13272	21.8
163.11151	8.5
163.14902	6.4
164.51857	3.1
165.80032	3.5
165.81425	3.4
169.10124	7.9
171.11713	16.7
173.11929	3.2
173.13251	14.7
175.11241	4.3
175.14832	7.8
177.12840	5.4
181.12343	3.6
183.11641	4.0
185.13315	13.7
187.14786	10.9
189.12723	5.5
197.13286	6.4
199.14902	8.3
201.12936	3.9
201.16351	7.9
203.14330	3.7
211.14818	11.6
213.16394	7.0
215.14352	4.5
225.16283	8.5
227.17906	22.7
229.16032	6.7
229.19516	12.2
237.84387	3.0
243.17371	3.8
245.19084	6.6
255.21187	5.8
257.22723	4.9
259.20660	3.6
267.21155	20.3
285.14810	4.1
285.22110	40.4
303.05005	6.9
303.12308	6.7
303.15826	8.8
303.19754	6.9
303.23209	84.1
304.23148	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	31.6
59.15844	0.2
62.36200	0.2
69.07048	0.3
70.11925	0.6
70.12250	0.2
71.95261	1.2
72.96042	0.6
74.97600	0.7
80.94875	0.3
81.07036	0.3
83.52570	0.3
84.96030	0.6
88.07626	0.5
91.05444	0.4
92.98635	0.7
93.07027	0.2
95.08596	0.4
97.96829	0.8
98.23419	0.3
98.77770	0.2
105.00155	1.9
107.04892	0.3
107.08586	0.3
109.10137	0.3
110.97534	1.6
113.05984	0.4
115.00706	0.5
119.01701	1.1
123.01201	1.9
127.00652	0.5
128.98615	1.5
137.02757	1.9
139.00656	5.0
141.02228	1.7
142.24556	0.3
145.01703	0.5
146.99677	0.7
149.02716	0.3
151.00645	2.5
153.02231	10.6
155.03775	1.8
157.01729	3.3
159.03264	1.1
163.00659	0.4
163.04308	0.6
165.02222	1.1
167.03787	2.7
169.01703	3.1
169.05345	0.5
171.03279	13.5
173.04834	1.8
175.02798	0.6
177.05849	0.3
179.03809	1.1
181.01686	0.5
181.05338	2.9
183.03311	1.8
185.04849	8.1
185.06291	0.4
187.02823	0.9
187.06496	0.5
189.04338	2.8
191.05936	0.6
191.07463	0.3
193.05371	0.6
194.04898	0.6
195.03242	0.3
195.06938	0.3
197.04881	2.6
199.02641	0.4
199.06413	7.2
200.06706	0.3
201.04272	0.3
201.07893	0.3
203.05878	7.0
205.05447	0.5
205.07343	0.4
207.06972	2.7
208.06456	0.3
209.08476	1.3
211.02599	0.4
211.06424	1.2
213.08005	0.4
215.05777	1.5
217.05458	0.6
217.07442	5.0
219.06863	0.6
219.10634	1.0
221.08632	1.7
222.08041	0.5
223.06462	0.6
225.07985	4.1
225.11569	0.3
227.07689	0.3
227.09488	1.2
229.07454	0.6
231.07071	0.5
233.08531	1.6
235.06555	0.3
235.10022	2.8
237.07994	1.9
237.11674	0.6
239.05870	0.4
239.09471	0.7
242.24741	0.9
243.09038	1.2
245.08504	1.2
249.08270	0.3
251.09486	4.8
253.11124	3.5
255.08990	0.7
263.09491	13.0
264.09998	0.8
267.08994	0.6
269.10608	1.8
271.12238	0.5
276.12711	0.3
281.10580	100.0
282.10980	3.5
283.11014	0.3
299.11630	56.0
300.12057	1.7
304.12177	11.2
304.22903	0.3
304.28949	1.7
305.12512	0.9
322.13251	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
56.05035	21.8
57.07074	22.0
58.06599	15.8
60.04515	3.7
61.35612	0.6
61.73944	0.6
67.05492	1.0
67.74776	0.6
68.05025	1.3
69.03408	0.9
69.07055	1.4
69.69261	2.2
71.08273	1.0
71.08631	14.1
72.75038	0.6
73.06536	1.4
74.06077	20.4
75.06440	0.8
79.05495	1.2
81.07048	3.2
83.04981	0.8
85.06560	0.6
85.10181	7.0
86.06067	2.8
88.07619	2.5
91.05477	2.0
93.07037	1.7
95.08600	1.0
98.23398	0.9
103.13969	0.6
104.07079	1.0
104.99274	2.4
105.07018	0.8
107.04935	1.3
107.08562	1.3
109.06506	1.4
113.05990	2.0
115.07577	1.8
117.06948	0.8
118.08653	8.2
119.08582	2.4
120.08681	0.6
121.06565	0.7
121.10118	0.6
122.08138	36.6
131.08569	1.0
135.08051	1.7
137.05997	1.0
143.08510	0.8
145.10040	1.3
147.08034	5.6
149.09604	2.6
159.08014	0.9
159.11713	1.2
165.09045	1.6
171.11697	1.3
173.09576	1.3
173.13307	1.0
177.09100	2.2
186.10387	1.3
187.11197	1.5
199.11183	1.3
200.11996	0.7
201.12744	3.0
203.10693	1.5
209.11722	1.6
213.12706	1.5
215.14276	1.4
218.07269	0.8
219.07669	1.3
229.12216	1.3
231.13809	2.7
243.13867	1.4
245.15396	2.7
246.06645	1.3
247.07101	4.6
248.07860	0.9
255.13593	1.2
256.26379	3.3
262.06180	0.7
270.41891	0.6
273.14807	2.9
275.07010	2.5
276.07407	6.5
287.16522	1.8
304.06927	17.7
304.28445	100.0
305.08063	5.0
305.13956	1.3
305.17465	14.6
305.20734	0.8
305.28833	5.1
329.56146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86320	0.4
54.80195	0.3
55.01869	0.4
55.05503	1.0
56.05033	10.6
57.07075	6.7
58.06595	5.7
60.04527	2.6
67.05506	0.9
67.67198	0.4
69.03437	0.4
69.07068	0.7
71.08623	4.3
71.46899	0.5
74.06076	10.8
76.28399	0.4
79.05482	1.1
79.86770	0.3
81.07053	1.1
83.08617	0.4
85.10174	1.6
86.06054	1.6
86.83529	0.4
88.07626	33.7
89.07922	0.5
91.05478	0.9
93.07056	0.7
95.04974	0.6
95.08588	0.9
104.07083	0.5
104.99255	0.7
105.07014	1.0
107.04978	1.0
107.08578	1.1
109.06535	0.6
113.06023	1.1
118.08646	6.3
119.08601	0.7
121.10107	0.7
122.08134	6.4
125.09629	0.4
128.61877	0.4
135.08047	1.0
145.10161	0.6
152.07150	0.6
173.09647	0.4
201.32579	0.4
215.08606	0.5
247.07326	0.6
256.26343	33.9
257.26691	1.5
259.07687	0.4
273.09146	0.7
275.06976	0.7
276.07407	0.5
286.27472	2.2
304.06882	1.2
304.28448	100.0
305.08307	0.7
305.11737	1.6
305.17191	1.2
305.21182	1.1
305.28796	5.7
326.84387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37259	4.4
56.96562	7.6
61.82405	5.4
70.06592	8.7
72.08148	16.8
81.04513	10.2
84.08132	8.3
85.02889	6.5
86.06071	4.9
94.92997	32.9
95.06099	13.2
101.00908	6.6
103.95116	33.2
112.89574	5.4
113.00877	8.5
114.09191	6.8
115.08698	4.9
118.08659	80.8
119.01926	14.7
125.07069	12.8
127.12257	6.8
128.10690	34.4
129.11086	6.6
131.01941	10.9
138.93800	5.1
143.01897	11.9
143.08148	52.1
155.01863	7.0
156.04247	6.1
161.02917	16.5
162.02985	4.7
170.12943	14.4
173.02940	12.0
187.15550	100.0
187.17084	9.7
188.15923	15.2
189.13469	12.8
207.01450	12.1
208.01311	27.6
230.88623	9.1
245.05179	10.7
292.46381	6.3
305.01450	10.8
305.05948	41.1
305.09402	8.6
305.13416	11.4
305.17383	5.3
305.95740	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.05512	3.0
57.07066	1.3
67.05499	5.6
69.03424	1.2
69.07085	1.4
70.06595	2.8
70.42271	1.9
71.04990	30.2
72.54068	0.7
79.05487	1.6
81.07054	1.8
85.06552	1.7
87.08102	1.8
88.07630	3.7
91.05482	1.4
93.07054	1.5
95.04962	2.2
95.08604	1.3
97.06561	1.5
102.09199	2.3
103.05490	2.2
105.03396	2.9
105.07022	1.1
107.08608	2.3
109.10239	0.9
119.04906	0.7
125.09641	0.8
128.06238	1.6
129.03371	1.5
129.07016	1.8
131.04938	2.3
131.07065	1.9
131.08575	1.9
133.02838	13.9
133.10185	0.8
135.04440	1.2
135.08038	1.1
143.08563	2.8
145.06500	0.9
145.10077	1.4
147.04393	4.3
149.02319	5.7
152.06250	1.4
153.06961	3.6
155.08537	6.5
156.08902	0.8
157.06537	1.6
159.04352	5.2
159.08069	4.0
161.02301	1.3
161.05965	1.8
163.03908	32.1
165.07030	3.5
171.08043	5.2
175.03899	6.6
175.11232	0.9
177.05493	2.7
181.06476	1.0
183.08061	12.8
185.05800	0.9
187.04018	1.0
187.07559	1.8
189.01862	2.2
189.05518	1.7
189.06998	18.4
190.07605	3.4
191.03384	1.1
191.08450	2.9
193.04974	1.6
193.06482	1.0
199.07504	7.4
201.07228	0.8
201.09085	14.4
207.02844	12.8
211.07533	12.1
213.05441	5.8
217.04549	4.9
217.06718	8.2
218.07152	1.8
219.07932	2.9
221.04428	15.1
222.04631	1.2
227.06999	5.7
228.07814	3.0
229.08591	50.3
230.08907	1.6
233.05989	1.2
234.06802	1.9
235.07600	2.8
242.24841	5.5
243.10127	5.3
243.25063	1.2
245.05981	2.1
245.08270	1.7
246.06718	6.9
247.07501	13.5
248.07870	1.4
249.08792	0.9
255.06465	4.1
259.09827	2.1
262.06274	3.9
263.06625	3.3
273.05273	1.5
275.07007	10.5
276.07587	1.1
277.08603	4.9
287.09232	10.1
287.16531	1.4
290.05737	3.0
291.06500	1.3
304.28470	11.7
305.07996	100.0
305.13773	3.0
305.17334	8.4
305.20923	1.7
305.28748	3.8
305.35983	1.0
306.05154	1.4
306.08707	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55040	0.7
55.01847	0.7
55.05496	1.1
56.96570	1.6
57.07065	1.3
67.05503	1.0
67.39777	0.8
69.07068	1.7
69.15862	4.5
70.06593	2.4
79.05489	1.9
81.03406	1.0
81.07048	2.2
82.28062	0.7
82.48670	0.7
88.07642	4.4
91.05497	1.4
93.07059	2.0
95.04968	1.5
95.08601	1.9
98.23567	1.5
102.09166	2.5
105.07111	1.5
107.08600	2.3
109.10199	0.9
119.08582	1.2
125.09657	0.9
133.06483	1.0
133.10114	1.1
135.11687	1.3
137.05945	1.1
145.10078	1.4
146.32396	0.8
149.13307	0.8
180.75841	0.9
185.43237	0.7
232.30797	0.8
235.34286	0.8
242.24770	3.2
243.13560	1.6
243.25180	3.5
262.06204	0.9
265.11102	3.8
268.51089	0.8
273.80518	0.9
283.12146	2.3
287.12531	0.9
287.16309	1.0
304.28482	5.1
305.08017	3.1
305.13605	100.0
305.17151	9.0
305.21051	2.4
305.28772	11.5
306.08862	1.3
306.13928	4.3
306.20667	1.7
306.26224	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.3
67.05505	0.9
69.03438	0.4
69.07078	0.7
69.39635	1.9
70.06587	0.6
71.04980	0.7
79.05493	4.6
81.07050	4.8
83.08630	2.0
91.05478	2.3
93.07027	2.2
95.04971	1.1
95.08606	1.5
96.04469	0.5
97.05279	0.9
98.06059	1.3
98.09696	1.5
103.05475	0.5
105.07029	1.1
106.06547	1.9
107.08592	1.0
108.08121	2.3
109.06514	4.9
115.05469	0.5
119.08559	0.9
121.06567	0.5
121.10119	0.9
123.11719	0.5
124.07563	1.4
124.11217	0.9
125.09602	0.4
126.09149	100.0
127.09511	1.5
127.11169	0.6
129.07011	0.5
129.83006	0.4
131.08554	0.8
133.10101	0.6
134.05980	2.0
135.06813	0.7
135.11713	0.9
136.03926	0.5
136.07607	0.6
137.06059	0.5
145.10141	0.5
147.11725	0.7
149.05986	0.8
149.13242	0.7
150.05495	0.6
151.07562	1.7
152.07059	3.0
152.10709	2.1
159.04448	1.1
162.05496	45.2
163.05859	0.7
164.07004	0.7
177.08981	0.6
178.05000	0.5
180.06554	28.4
181.07137	0.7
191.08546	1.6
191.10562	0.4
201.16382	0.5
205.06464	0.5
211.08482	0.5
213.10254	0.5
213.13922	0.6
214.12375	0.9
219.08070	2.6
226.10974	3.7
241.13336	1.5
243.11351	1.0
243.14883	0.8
247.07596	2.6
247.14433	0.7
259.07474	1.5
269.12845	8.6
272.11575	3.1
275.06992	1.3
277.08670	1.2
287.07092	0.7
287.13864	14.4
287.16898	1.0
287.23749	0.8
288.14063	0.8
305.08063	11.8
305.14926	26.3
305.22168	1.5
305.24884	1.0
306.08215	0.8
306.15256	0.6
306.26404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05514	0.3
56.96561	0.3
57.03428	0.2
57.07079	0.2
67.05495	0.4
69.03419	0.3
69.07060	1.2
69.13110	1.1
71.04965	0.2
72.08156	0.3
73.02914	0.9
73.06553	0.5
77.03996	0.2
78.67233	0.2
79.05479	0.2
79.45294	0.2
81.07040	0.3
83.04948	0.2
84.08128	0.4
85.02879	0.3
86.09702	0.9
91.05488	0.3
93.07037	0.4
95.04969	0.4
95.08612	0.3
97.06536	0.3
98.23447	0.3
105.06998	0.5
107.04964	0.2
107.08588	0.3
109.06544	0.3
109.10179	0.2
115.21844	0.2
117.06965	0.2
118.08563	0.2
119.08590	0.7
121.10168	0.2
123.08060	0.2
131.08527	0.2
133.06491	0.2
133.10138	0.4
135.08081	0.2
137.05994	0.5
137.09619	0.6
145.07576	0.4
145.10054	0.2
146.08081	0.3
147.07994	0.3
147.11728	0.2
150.04323	0.2
161.13293	0.4
162.04189	0.2
163.05017	2.8
165.09105	0.5
165.12712	0.4
173.07115	2.0
176.14349	1.5
189.06612	1.5
189.12740	0.6
190.06058	0.4
190.07362	22.6
191.08142	32.1
192.08560	1.0
193.05376	0.2
198.14854	0.3
203.06470	0.2
203.08180	0.9
207.13742	1.1
211.06479	0.4
215.10756	0.2
217.09723	0.8
223.06464	0.8
233.11671	0.2
235.13408	0.2
241.07393	0.2
244.15404	0.3
259.04599	0.2
283.08511	1.0
295.67871	0.2
305.05643	3.5
305.14938	100.0
306.15222	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	NSC 177499
Peak:m/z	Relative Intensity
55.01859	0.3
55.05514	0.3
56.96561	0.3
57.03428	0.2
57.07079	0.2
67.05495	0.4
69.03419	0.3
69.07060	1.2
69.13110	1.1
71.04965	0.2
72.08156	0.3
73.02914	0.9
73.06553	0.5
77.03996	0.2
78.67233	0.2
79.05479	0.2
79.45294	0.2
81.07040	0.3
83.04948	0.2
84.08128	0.4
85.02879	0.3
86.09702	0.9
91.05488	0.3
93.07037	0.4
95.04969	0.4
95.08612	0.3
97.06536	0.3
98.23447	0.3
105.06998	0.5
107.04964	0.2
107.08588	0.3
109.06544	0.3
109.10179	0.2
115.21844	0.2
117.06965	0.2
118.08563	0.2
119.08590	0.7
121.10168	0.2
123.08060	0.2
131.08527	0.2
133.06491	0.2
133.10138	0.4
135.08081	0.2
137.05994	0.5
137.09619	0.6
145.07576	0.4
145.10054	0.2
146.08081	0.3
147.07994	0.3
147.11728	0.2
150.04323	0.2
161.13293	0.4
162.04189	0.2
163.05017	2.8
165.09105	0.5
165.12712	0.4
173.07115	2.0
176.14349	1.5
189.06612	1.5
189.12740	0.6
190.06058	0.4
190.07362	22.6
191.08142	32.1
192.08560	1.0
193.05376	0.2
198.14854	0.3
203.06470	0.2
203.08180	0.9
207.13742	1.1
211.06479	0.4
215.10756	0.2
217.09723	0.8
223.06464	0.8
233.11671	0.2
235.13408	0.2
241.07393	0.2
244.15404	0.3
259.04599	0.2
283.08511	1.0
295.67871	0.2
305.05643	3.5
305.14938	100.0
306.15222	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57840	0.4
53.03922	0.5
55.01863	1.5
55.05510	5.9
56.05025	1.5
57.03439	5.9
57.07067	2.1
58.99584	7.4
61.01150	5.5
62.99070	2.5
67.05502	19.1
69.03439	0.8
69.07063	3.2
69.09763	2.8
71.04984	1.8
71.08627	8.7
73.01150	0.6
76.02226	37.8
76.04009	1.1
77.00618	1.9
79.05486	3.1
81.07050	4.1
82.92804	0.5
83.08629	2.6
84.04489	0.6
84.08147	0.5
85.01109	0.6
85.06530	1.0
86.09701	3.2
86.99052	2.5
87.02676	0.7
88.02203	2.0
89.00613	13.5
91.02157	0.7
91.05483	1.3
93.07018	1.8
95.08611	4.7
97.10167	5.1
98.06071	0.6
99.02676	1.6
99.08107	5.0
103.02134	0.6
104.05344	3.3
105.07014	1.5
106.37304	0.4
107.08585	5.2
109.06518	0.5
109.09415	0.8
109.10156	13.5
111.02668	0.5
111.08061	0.9
112.03960	0.7
113.04222	0.5
113.06037	0.5
116.01680	11.0
119.08565	1.4
123.08076	4.3
125.09648	2.2
126.12805	3.1
127.11192	25.9
128.11511	0.8
130.05016	2.6
132.10197	2.0
133.10115	0.7
135.11731	0.5
137.09563	1.6
141.07353	2.1
143.10683	0.6
144.01118	5.1
145.10072	0.8
146.06354	2.1
148.39774	0.5
149.13138	0.6
159.08385	100.0
160.08783	2.4
162.02200	19.3
165.12634	0.5
167.08836	1.0
176.14354	1.7
179.04854	26.2
184.11540	3.4
195.08443	0.5
202.12573	2.7
203.04941	0.5
207.13823	0.7
246.30450	0.5
287.14236	42.9
288.14682	1.6
305.07904	0.7
305.15155	1.5
305.18521	0.8
306.20596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48203	0.2
56.05038	0.4
57.03437	0.5
60.41658	0.2
69.03419	0.4
71.44778	0.4
71.89071	0.2
84.04510	8.3
85.02910	14.3
86.06063	0.5
87.04449	0.6
91.05496	0.3
93.06940	0.2
95.01340	1.7
102.05547	6.2
105.07019	0.3
112.03995	1.0
113.02364	1.0
118.06546	6.1
119.07335	0.3
126.17889	0.2
130.05008	44.6
131.05380	0.7
132.08086	2.3
133.08832	1.2
134.09711	0.3
134.65904	0.2
136.07576	0.5
146.09627	2.4
164.07056	0.4
170.97194	0.2
176.14348	100.0
177.05455	0.2
177.14699	2.9
202.15901	0.9
205.17975	0.2
216.13814	0.5
246.14836	0.3
288.15964	5.4
289.16293	0.4
305.18610	33.4
306.18738	1.2
324.06482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01879	11.4
55.05508	50.8
57.03435	50.0
57.07079	3.8
59.04985	4.1
63.99405	2.1
65.03922	4.1
67.05502	59.5
69.01459	2.2
69.03428	7.5
69.07056	19.9
71.04982	6.3
79.05491	56.6
81.03407	3.2
81.06572	2.2
81.07051	56.5
83.04994	10.4
83.08614	20.3
85.06534	14.5
91.05475	87.1
93.07049	39.6
95.04956	9.2
95.08605	25.7
97.06533	8.4
97.10166	29.1
103.05481	3.3
105.03352	3.4
105.07026	48.1
107.04964	11.7
107.08582	38.1
109.06509	22.2
109.10149	15.9
111.08067	4.8
115.05469	5.8
117.07020	41.1
119.08572	65.0
121.06507	6.0
121.10121	13.3
122.03593	2.7
123.08060	4.6
125.09625	33.5
128.06207	5.6
129.07001	19.9
131.08562	42.9
132.08885	3.0
133.06494	4.0
133.10139	19.3
135.08018	19.6
135.11696	6.3
137.05968	23.6
137.09579	4.3
139.66417	2.3
141.06984	3.7
143.08562	16.7
145.10118	40.5
147.08046	43.5
147.11707	5.3
149.09648	7.2
149.13245	4.6
151.11243	2.4
153.09077	8.9
155.08542	5.2
157.10121	19.4
159.08041	2.6
159.11688	15.7
161.09583	13.4
161.13289	3.0
163.11147	3.1
166.85402	2.3
169.10107	3.3
171.10291	2.9
171.11646	12.6
173.13182	5.0
175.11160	11.9
177.12732	3.8
181.10077	2.7
183.11668	8.1
185.13271	3.8
187.11192	2.9
189.12817	2.5
197.13336	4.7
199.14825	6.2
201.12746	8.7
203.12759	31.8
213.16266	2.2
217.15869	32.7
227.18030	5.6
233.15312	8.1
237.16364	6.7
245.19086	6.1
247.07376	3.2
255.17531	11.7
262.06427	2.8
273.18463	100.0
274.18851	5.9
275.06802	3.1
287.19894	3.8
295.30771	2.1
304.31223	4.8
305.08051	20.6
305.17685	2.1
305.21124	41.9
305.26508	4.7
305.31750	12.2
306.20917	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	17beta-Hydroxy-5alpha-androstan-3,6-dione
Peak:m/z	Relative Intensity
53.03947	2.7
55.01872	8.2
55.05510	13.9
57.03442	5.8
57.07066	4.8
59.04984	1.3
65.03931	3.1
67.05502	64.6
69.03411	2.7
69.07066	9.2
71.04990	2.3
71.08633	2.3
71.19176	1.0
72.04514	13.5
74.68916	1.2
79.05489	33.7
80.94868	1.2
81.03407	3.2
81.07055	50.5
83.04984	12.7
83.08613	3.5
85.06548	3.6
91.05473	25.2
93.07038	25.5
93.07600	1.7
95.01307	1.0
95.04965	100.0
95.08595	19.0
96.05290	1.9
97.06551	5.6
97.10144	2.4
105.04491	1.6
105.07023	21.6
107.04940	12.6
107.08580	15.5
109.06516	43.4
109.10146	6.4
110.06873	1.3
111.08078	3.8
114.09186	3.3
115.05462	2.1
116.06226	1.7
117.07021	8.9
119.08566	9.3
119.98781	1.1
121.06493	9.2
121.10133	9.9
123.08054	4.2
123.11708	1.8
128.10713	1.7
129.07002	4.6
131.08571	16.4
131.09474	1.7
133.06503	3.7
133.10107	7.6
135.08069	20.2
135.11702	6.4
137.05988	6.7
137.09610	2.7
143.08597	7.3
145.10114	12.5
147.08031	7.6
147.11685	3.2
149.09595	7.6
149.13397	2.2
151.11223	2.0
156.13837	1.3
157.10161	3.3
159.11688	6.3
161.09637	5.9
161.13176	1.6
163.07484	1.5
163.11160	4.9
169.10161	1.9
170.15359	1.9
171.11617	2.7
173.09668	1.4
175.11205	2.4
177.12790	4.0
183.11716	1.5
185.13268	1.9
187.11179	2.9
191.10548	1.4
195.11684	1.9
201.12671	1.2
205.12250	3.7
213.12823	1.3
217.15828	2.9
221.15373	13.9
227.18089	2.4
237.16302	1.4
245.18959	2.9
255.17438	3.0
273.18491	38.7
274.19009	2.0
287.20062	1.6
305.21100	23.9
305.24365	1.1
305.30267	2.4
306.21042	1.2
306.27911	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01867	6.5
55.05513	41.9
57.03436	5.7
57.07069	2.7
57.26003	2.0
67.05164	3.0
67.05508	48.7
69.03424	4.9
69.07074	30.5
69.49221	3.6
71.04981	4.3
77.03918	4.1
79.05502	62.8
81.07063	73.3
83.04958	10.0
83.08640	15.4
85.06536	4.9
87.44350	2.0
88.28158	2.0
91.05484	71.3
93.07053	68.5
95.04990	12.9
95.08614	40.1
95.83547	2.1
97.06535	9.1
97.10171	14.0
98.23118	7.4
103.05440	3.4
105.04530	3.2
105.07037	60.4
105.56841	2.0
107.04992	10.2
107.07929	2.6
107.08603	35.6
109.06544	13.0
109.10147	8.5
115.05466	6.4
116.06210	4.4
117.07029	36.7
119.08588	39.2
121.06525	14.5
121.10154	24.4
123.08091	8.0
123.11713	3.1
125.09623	8.0
127.07586	2.1
128.06216	11.6
129.06993	21.0
130.07764	7.5
131.08572	78.8
133.06508	7.1
133.10135	21.7
135.08025	6.0
135.11681	15.4
137.05984	14.0
137.09610	4.1
137.21483	2.0
139.11165	10.0
141.07005	3.2
141.09155	2.7
142.07794	4.7
143.07426	3.1
143.08572	57.1
144.08966	2.3
145.06488	2.5
145.10135	76.3
145.97139	2.1
146.10510	2.6
147.08072	12.4
147.11722	10.1
149.09645	8.0
149.13313	4.1
155.08562	6.0
157.10101	22.7
159.08078	2.3
159.11700	15.5
161.09590	15.2
161.13287	6.2
163.11162	5.3
165.06958	2.7
165.12799	3.3
169.10136	10.2
171.11684	20.0
173.09602	3.5
173.13248	3.6
175.01286	2.0
175.11212	8.2
177.12749	3.3
181.10179	4.4
183.11697	8.0
185.09686	3.7
185.13226	9.5
189.07022	7.2
189.12729	4.6
190.07848	3.0
191.08516	5.6
195.11694	14.0
197.13226	2.5
199.11214	3.4
199.14778	2.3
201.12740	2.7
203.14473	2.4
204.05710	3.1
209.13202	2.8
211.14812	2.6
213.12834	2.7
213.16245	2.8
217.06396	4.3
219.08034	15.7
227.17778	4.3
234.06758	4.0
237.16342	15.9
245.19028	4.9
247.07608	13.6
247.16844	2.4
255.17427	13.3
262.06253	8.2
273.18491	35.4
274.19028	3.1
275.07010	16.8
277.08566	17.4
277.21582	3.7
287.20038	4.9
290.05768	16.5
305.04678	5.4
305.08047	100.0
305.18042	2.9
305.21133	16.2
305.31396	8.7
306.05185	5.1
306.08511	13.0
306.11469	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1701
Annotation	Convolamine
Peak:m/z	Relative Intensity
55.05469	0.4
57.03432	2.4
64.24200	0.4
67.05466	0.6
69.07043	0.5
71.01334	1.1
76.02227	0.9
79.05515	0.4
81.07037	1.1
85.02900	38.5
91.05469	0.7
93.07047	1.0
95.01289	0.5
95.04964	0.5
97.02874	0.4
98.23450	1.2
103.03919	0.8
105.07013	0.9
105.23315	0.4
107.08539	0.7
113.02350	1.3
117.06976	0.4
118.06533	13.6
120.08112	0.5
121.06496	0.7
121.10107	0.6
122.02699	1.3
127.11147	0.4
131.03389	1.8
131.08562	1.0
132.08073	4.6
133.08881	2.3
133.09961	0.5
134.09636	1.0
136.84856	0.4
137.05949	0.4
146.09624	4.3
147.10394	0.6
147.11655	0.4
159.08368	0.5
160.08755	0.6
161.12027	0.4
167.10684	0.9
176.14336	79.7
177.14709	1.9
185.11748	1.2
202.15886	1.5
216.13805	0.9
219.90135	0.4
228.78278	0.4
230.15292	0.4
235.13147	0.6
242.01976	0.4
246.14946	0.6
262.10709	0.5
288.15848	1.7
288.19385	0.6
306.16992	100.0
306.20383	5.9
307.17606	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
52.15947	0.1
55.01866	0.1
55.05502	0.2
57.07076	0.2
58.02954	0.4
58.16206	0.1
65.03954	0.1
66.04707	0.2
67.05496	0.5
69.07069	1.4
70.96759	0.1
77.03948	0.1
79.05481	0.7
81.07053	0.7
83.04981	0.1
83.08607	0.1
84.08144	0.2
86.06084	0.1
91.05473	0.6
93.07040	0.5
94.04181	1.9
95.04991	0.1
95.08602	0.4
97.06526	0.5
100.07617	0.2
102.71510	0.1
105.07006	0.2
107.04939	0.3
107.08585	0.6
109.06528	0.2
109.10159	0.7
114.09158	0.6
122.03639	6.1
123.03948	0.2
126.09122	0.4
133.10115	0.8
135.11697	0.9
137.05972	100.0
138.06311	2.6
138.12770	0.1
147.11742	0.1
151.11148	0.4
153.12746	1.3
165.12711	0.1
170.15393	2.3
182.15401	3.3
183.15767	0.1
189.06976	0.1
205.06433	0.2
207.07968	0.2
219.08006	0.3
233.05905	0.1
235.07469	0.6
247.07411	0.1
248.04745	0.1
248.08092	0.1
249.09103	0.1
261.05414	0.1
262.06119	0.2
263.06921	0.8
276.04214	0.1
277.04916	0.1
277.08499	0.2
278.09268	0.3
279.06461	0.1
286.88373	0.1
291.06393	0.6
292.07266	0.1
306.05219	0.2
306.08707	2.7
306.20642	1.5
307.05945	0.4
307.09497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	9-Demethylprotoemetinol
Peak:m/z	Relative Intensity
53.05177	0.2
55.05514	1.0
57.07074	1.2
57.13178	0.2
58.06590	0.3
62.48309	0.2
65.03937	0.2
67.05496	0.6
68.05030	0.2
69.03407	0.3
69.07063	0.7
70.06585	4.9
71.08625	0.7
72.08162	0.4
79.05475	0.4
81.07046	0.6
81.92979	0.2
83.04968	0.2
84.08131	0.6
86.09689	0.7
88.07619	1.8
91.05472	1.6
92.04996	4.1
93.05762	0.9
93.07043	0.4
94.06561	0.6
95.08605	0.3
98.98528	0.2
100.74260	0.2
102.09157	0.9
105.07008	0.5
106.06551	1.4
107.08578	0.6
109.06535	0.2
109.10119	0.2
117.05740	0.9
117.06995	0.2
118.06529	13.1
119.07372	1.9
119.08136	0.2
119.08531	0.3
120.08098	1.0
121.06488	0.2
129.06993	0.3
130.06522	1.3
131.07341	0.6
132.08084	2.0
132.10199	1.6
133.08894	0.4
134.09668	0.5
137.05989	0.4
144.08070	0.6
145.08911	0.3
145.10071	0.2
146.09676	0.7
146.11751	1.8
156.17490	0.5
160.11240	0.2
161.05907	1.0
162.09123	12.9
163.09889	3.0
164.10681	0.4
176.10728	0.5
182.19060	0.2
200.20067	3.6
202.15854	2.7
220.08403	0.4
230.15378	17.1
231.15704	0.8
244.22694	8.3
245.22943	0.2
248.07860	0.5
262.17960	1.7
276.07373	0.2
279.17282	0.2
288.19598	0.9
289.17902	0.3
306.08862	1.4
306.20612	100.0
306.26047	23.0
307.09424	0.3
307.15350	0.4
307.20966	5.6
307.26361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.28865	0.1
55.01868	0.8
55.05509	7.0
56.05031	0.2
56.05840	0.1
57.03436	0.2
57.07071	0.8
65.03929	0.3
67.05501	9.0
68.05038	0.1
69.03419	0.2
69.07066	7.8
69.89013	0.3
70.06591	0.2
70.07371	0.2
71.04987	0.4
71.08615	0.2
72.04511	0.5
74.06099	0.1
75.79200	0.1
79.05487	2.9
80.04987	0.2
81.03423	0.2
81.07052	7.8
82.06576	0.3
82.07372	0.2
83.04971	0.3
83.08614	2.7
84.04487	0.2
84.08147	0.1
85.05279	2.1
86.06068	1.2
91.05476	1.3
92.42236	0.1
93.07040	2.3
94.06546	0.2
95.04958	0.4
95.08603	5.4
96.08142	0.4
97.06523	0.3
97.10176	0.9
98.06049	14.7
98.09721	0.1
99.06871	0.3
99.08128	0.1
105.07033	1.0
107.08590	1.4
108.04485	0.1
108.08096	0.2
109.06504	0.4
109.10158	1.6
110.09676	0.4
111.04439	0.4
111.08129	0.2
111.11672	0.2
112.07603	1.6
117.07011	0.1
119.08582	0.7
120.08140	0.2
121.10148	0.9
122.09707	0.2
123.08090	0.2
123.11691	0.4
124.07578	0.3
124.11234	0.3
126.09144	0.6
128.10710	0.2
131.08556	0.2
133.10133	0.5
135.08058	0.2
135.11676	0.3
137.05969	0.8
137.09596	0.2
137.13196	0.2
138.09129	0.5
140.10699	0.8
140.14267	0.1
145.10132	0.3
147.11694	0.6
148.11186	0.1
149.09587	0.1
149.13184	0.2
150.09229	0.1
152.10698	0.4
154.12206	0.6
159.11688	0.2
161.13249	0.3
163.11180	0.2
165.12727	0.1
166.12216	0.2
168.13815	0.6
177.16472	0.1
180.13791	0.2
182.15384	0.5
194.15388	0.4
196.16937	0.7
208.16957	0.9
210.18553	0.3
219.17451	0.2
222.18425	0.6
224.20108	0.2
235.41434	0.1
236.20058	0.6
250.21727	0.2
264.23282	0.2
275.20123	0.6
289.21619	0.2
306.27881	100.0
307.23053	0.8
307.28217	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.28865	0.1
55.01868	0.8
55.05509	7.0
56.05031	0.2
56.05840	0.1
57.03436	0.2
57.07071	0.8
65.03929	0.3
67.05501	9.0
68.05038	0.1
69.03419	0.2
69.07066	7.8
69.89013	0.3
70.06591	0.2
70.07371	0.2
71.04987	0.4
71.08615	0.2
72.04511	0.5
74.06099	0.1
75.79200	0.1
79.05487	2.9
80.04987	0.2
81.03423	0.2
81.07052	7.8
82.06576	0.3
82.07372	0.2
83.04971	0.3
83.08614	2.7
84.04487	0.2
84.08147	0.1
85.05279	2.1
86.06068	1.2
91.05476	1.3
92.42236	0.1
93.07040	2.3
94.06546	0.2
95.04958	0.4
95.08603	5.4
96.08142	0.4
97.06523	0.3
97.10176	0.9
98.06049	14.7
98.09721	0.1
99.06871	0.3
99.08128	0.1
105.07033	1.0
107.08590	1.4
108.04485	0.1
108.08096	0.2
109.06504	0.4
109.10158	1.6
110.09676	0.4
111.04439	0.4
111.08129	0.2
111.11672	0.2
112.07603	1.6
117.07011	0.1
119.08582	0.7
120.08140	0.2
121.10148	0.9
122.09707	0.2
123.08090	0.2
123.11691	0.4
124.07578	0.3
124.11234	0.3
126.09144	0.6
128.10710	0.2
131.08556	0.2
133.10133	0.5
135.08058	0.2
135.11676	0.3
137.05969	0.8
137.09596	0.2
137.13196	0.2
138.09129	0.5
140.10699	0.8
140.14267	0.1
145.10132	0.3
147.11694	0.6
148.11186	0.1
149.09587	0.1
149.13184	0.2
150.09229	0.1
152.10698	0.4
154.12206	0.6
159.11688	0.2
161.13249	0.3
163.11180	0.2
165.12727	0.1
166.12216	0.2
168.13815	0.6
177.16472	0.1
180.13791	0.2
182.15384	0.5
194.15388	0.4
196.16937	0.7
208.16957	0.9
210.18553	0.3
219.17451	0.2
222.18425	0.6
224.20108	0.2
235.41434	0.1
236.20058	0.6
250.21727	0.2
264.23282	0.2
275.20123	0.6
289.21619	0.2
306.27881	100.0
307.23053	0.8
307.28217	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36520	0.3
54.83886	0.3
56.96554	1.0
70.06571	0.6
78.95286	0.6
80.94958	0.8
84.08151	0.5
86.09695	1.0
88.00449	0.3
98.97572	1.7
101.00881	2.6
110.97588	0.4
116.98659	0.5
119.01910	6.0
120.02000	0.6
124.12621	0.3
124.13538	0.4
137.02975	0.7
146.99586	0.4
158.99881	1.3
174.03970	0.4
175.00198	0.6
175.04344	0.7
177.00946	9.9
178.00940	0.7
182.99821	0.5
189.00682	0.5
201.00931	2.2
217.02202	0.4
217.04022	2.0
219.01993	18.0
220.02031	1.7
225.00841	2.0
236.59290	0.4
242.12431	0.3
243.01999	11.6
244.02075	1.2
261.03052	100.0
262.03186	9.0
263.03448	0.5
265.02676	0.6
266.03516	0.4
283.96463	0.6
284.04672	3.0
284.96115	1.0
301.97787	0.8
302.97220	0.9
307.04404	1.3
307.08084	0.6
308.20596	0.6
325.02222	0.5
325.15848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22334	1.2
53.03935	1.5
55.01871	15.0
55.05510	18.8
57.07086	5.9
58.99573	8.4
62.99073	15.7
67.05512	9.5
69.03411	2.0
69.07066	100.0
69.29588	6.1
70.02963	1.7
71.04993	6.5
72.08155	2.7
73.01122	1.2
74.00668	8.9
76.02224	4.6
76.04004	4.7
77.00628	1.3
79.05483	1.9
81.07059	3.1
81.09244	1.1
83.08611	4.4
84.04495	15.0
85.02921	4.6
85.04008	2.3
86.99049	7.8
87.02689	25.9
88.02209	7.8
91.05515	2.1
93.07054	2.8
95.08604	3.7
97.02892	1.9
97.10240	1.5
98.98448	1.8
99.02679	1.5
99.04456	2.0
101.04248	3.7
103.03968	2.3
105.07059	1.7
107.08597	2.9
109.10174	4.8
111.11712	14.0
112.03958	16.5
116.01674	32.6
116.02457	2.4
121.06505	2.1
122.54382	1.3
127.03924	2.4
130.05003	63.3
131.04536	3.0
131.08493	1.5
135.11644	1.9
143.08891	16.8
144.01138	12.1
145.05042	1.4
145.06088	5.3
148.11252	2.9
149.09682	1.8
155.01195	1.3
159.08369	4.1
161.09958	22.9
162.02194	72.8
164.46274	1.1
169.10440	2.4
174.02223	1.9
177.03302	6.6
179.05014	2.0
186.13104	3.9
187.11536	3.3
190.82631	1.3
197.41153	1.3
262.18161	1.4
272.13123	43.3
289.15790	5.2
290.14200	34.9
291.14511	1.6
307.09412	1.4
307.16376	6.2
308.05817	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.6
58.06596	4.2
60.95844	0.9
61.01144	0.4
61.11414	0.4
69.03416	0.4
69.07066	0.4
70.06606	0.7
70.57242	0.8
72.47211	0.4
84.04103	0.5
84.04503	27.5
84.08139	100.0
85.01146	0.4
85.04865	0.4
85.08470	1.2
86.06065	8.1
86.09695	6.0
88.03980	3.9
98.09716	0.6
98.98502	0.6
99.09213	0.4
112.11254	0.4
113.07136	0.4
114.12846	0.6
127.03902	0.6
130.08670	1.7
141.13869	7.8
144.10225	1.2
169.13348	11.8
170.11775	0.4
196.09793	0.4
198.11201	1.2
215.13902	45.7
216.14224	1.0
243.17021	51.4
244.17374	1.8
261.16327	0.4
262.11075	3.3
265.04813	0.6
270.29587	0.5
283.05847	0.8
307.16827	22.6
308.17160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1752
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
52.93453	1.5
55.05514	3.6
65.03939	2.6
66.93341	1.6
67.05503	97.5
67.27538	1.5
68.24113	1.6
69.03427	5.3
69.07075	3.1
69.56725	7.8
70.06586	3.1
71.04980	3.9
72.08137	5.0
77.66373	1.6
79.05496	2.8
80.38009	2.0
81.07044	9.0
82.32018	2.1
83.08603	6.4
85.02904	21.0
85.06540	25.0
85.70007	1.5
97.02898	2.5
98.98476	3.4
99.04479	2.1
105.07021	2.0
107.08577	2.5
109.10150	100.0
114.10303	7.3
115.08638	2.9
117.03358	9.7
119.08586	2.7
127.03922	3.2
127.11189	27.9
131.12892	1.9
141.26816	2.0
145.02834	42.0
146.06006	2.2
146.08156	2.0
149.05923	3.1
155.49835	1.6
163.06020	2.3
171.26450	1.6
173.99153	1.8
177.05464	77.1
178.64963	1.7
179.03215	1.8
216.30344	1.9
228.15901	2.6
246.17075	2.8
261.03384	1.9
290.15042	4.3
307.13013	4.1
307.17587	57.7
307.20990	3.9
308.18146	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03955	3.3
55.01879	11.3
55.05256	3.6
55.05509	50.7
57.03437	37.3
58.44358	2.1
67.05499	34.5
69.03416	3.6
69.07066	9.0
71.04983	2.6
73.04710	2.0
79.05493	40.9
81.03378	4.9
81.07048	24.3
83.04967	4.1
83.08613	17.3
91.05479	21.8
93.07033	16.9
95.04979	11.1
95.08622	6.3
97.06534	4.9
97.10159	29.8
98.22706	6.0
105.07011	16.3
107.04954	21.2
107.08595	21.4
109.06504	9.8
109.10161	9.2
111.08092	4.0
117.07014	14.5
119.08554	15.5
121.06543	12.6
121.10168	3.3
123.08021	3.1
125.09634	20.7
129.07010	6.4
131.08574	8.5
133.06436	2.9
133.10124	4.6
135.08034	19.8
137.09636	4.1
141.07002	2.3
143.08554	5.2
145.06429	5.7
145.10133	5.0
147.08026	6.9
149.05969	3.3
153.09128	8.4
155.08606	3.9
159.08055	67.0
159.11690	2.4
160.08640	3.0
161.09660	2.6
163.07521	6.7
173.09624	6.5
187.14857	4.5
189.11215	10.0
189.12697	3.0
193.12247	2.3
199.11139	3.2
211.11183	4.4
215.14265	13.8
226.94305	2.2
233.15347	23.2
243.17484	5.5
249.05481	2.2
253.15836	10.7
271.16907	35.3
272.17239	4.1
279.10056	3.2
289.17960	100.0
290.18350	6.7
290.21304	3.0
307.09631	8.8
307.18900	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01878	12.4
55.05264	1.8
55.05515	28.4
56.06316	1.1
57.03428	4.7
57.07064	3.7
59.05002	1.6
65.03945	2.5
67.05508	62.4
68.05834	1.4
68.57220	1.2
69.03427	3.2
69.06711	1.7
69.07069	25.9
69.26479	2.3
69.26878	6.0
69.33723	1.0
71.04993	5.0
73.06538	2.0
77.03938	2.3
79.05499	41.3
81.03423	6.5
81.07059	81.9
81.79916	1.0
82.07391	1.6
83.04977	14.9
83.08624	10.8
85.06551	5.7
91.05484	38.8
93.07047	40.1
94.07394	1.8
95.04972	33.0
95.08608	42.1
97.06536	17.3
97.10167	5.2
98.22758	2.2
98.23426	2.5
99.08102	2.6
102.64563	1.2
103.05447	1.3
105.04527	1.8
105.07032	47.1
105.07741	2.7
107.04976	7.1
107.08599	33.0
108.08917	1.9
109.06520	18.0
109.10159	27.1
111.04417	1.6
111.08080	3.1
117.07018	14.7
119.08582	44.1
120.09001	1.3
121.06519	6.0
121.10159	18.7
123.08082	16.4
123.11717	7.1
125.09665	6.4
127.31438	1.3
129.07024	2.9
131.08575	19.1
133.06532	1.5
133.10130	35.8
135.08063	9.0
135.11716	9.7
137.09618	14.9
137.13260	2.5
139.11188	2.8
141.07040	1.5
143.08531	2.8
145.10130	17.7
147.08099	2.4
147.11684	24.2
149.09592	13.6
149.13275	5.9
151.11189	10.4
155.08540	1.9
157.10101	5.6
159.11731	13.5
161.09683	3.1
161.13252	7.3
163.11197	8.4
163.14780	1.8
165.12712	6.0
169.10124	2.6
171.11696	6.7
173.13287	11.2
175.11197	3.3
175.14804	2.0
177.12755	4.8
179.10683	1.3
179.14426	1.6
183.11737	4.3
185.13255	1.4
187.11044	1.3
187.14888	1.9
189.12729	2.2
193.12245	1.8
197.13248	4.0
197.15254	1.3
201.12814	2.8
207.13864	3.7
213.16370	1.6
215.14261	1.7
219.17371	1.9
229.19508	4.9
233.15379	2.0
239.18054	6.5
247.20618	10.8
257.18970	13.2
263.20163	1.6
275.20071	100.0
276.20395	5.1
279.23331	2.7
289.18362	1.8
289.21585	15.1
307.22687	46.0
307.28067	2.2
308.23062	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01870	4.4
55.05513	16.8
57.03438	26.5
57.07075	1.5
59.04998	2.0
67.05506	21.6
67.98736	1.2
69.03436	2.6
69.07063	8.1
69.35319	3.0
69.35725	3.7
76.82845	1.3
77.03945	1.3
79.05497	32.0
81.03389	1.8
81.06578	1.2
81.07062	25.7
83.04973	5.8
83.08617	5.7
85.06548	6.1
87.00274	1.2
90.38725	1.2
91.05482	27.5
93.07056	29.4
95.04965	5.9
95.08607	16.6
97.06540	3.4
97.10173	8.0
99.04454	5.1
103.05463	1.3
105.04529	1.7
105.07028	25.5
105.85004	1.4
107.04958	8.7
107.08601	20.1
109.06544	6.0
109.10168	5.9
111.08082	3.0
117.07005	13.3
119.08605	18.2
121.06512	3.0
121.10155	8.4
123.08098	3.4
123.11742	1.5
125.09628	8.8
129.06999	4.0
131.08583	11.2
133.10144	13.8
135.08046	5.3
135.11699	5.8
137.09592	4.6
143.08545	2.5
145.10123	8.1
147.11690	6.6
149.09624	12.0
149.13142	1.3
151.11169	2.3
153.09067	1.5
153.12843	1.5
157.10141	2.7
159.11694	6.9
161.13219	2.2
163.11134	1.4
163.14713	1.4
173.13245	4.3
175.14810	2.4
185.13306	6.2
188.45239	1.5
201.16400	4.4
203.12714	5.2
203.14365	8.6
209.15392	4.0
219.17450	100.0
220.17821	4.2
229.19627	1.7
235.16968	6.9
239.17989	2.1
239.58572	1.5
257.19083	7.0
275.20084	27.7
289.21405	2.2
290.27951	1.5
307.22757	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75765	1.3
53.03943	6.4
55.01870	4.4
55.05507	20.0
57.03427	3.2
57.07073	6.5
60.88456	1.3
65.03937	2.0
67.05502	79.1
69.03416	2.3
69.07065	21.3
71.05001	6.2
79.05490	38.3
81.03413	16.2
81.07051	56.8
83.04990	7.0
83.08609	8.1
85.06535	2.8
91.05474	48.3
92.05833	1.5
93.07038	33.2
95.04961	14.8
95.08603	41.8
95.09219	2.3
97.06540	4.3
97.10165	3.1
103.05425	1.6
105.07023	65.9
105.07732	3.2
106.07381	2.6
107.04955	6.3
107.08585	21.1
109.06519	6.8
109.10150	24.9
111.08086	1.6
115.05431	2.1
117.07019	16.0
119.08574	41.5
121.06528	3.6
121.10140	13.0
123.08064	31.5
123.11708	8.0
129.06998	4.0
131.08563	22.5
133.06488	2.8
133.10127	37.4
134.10445	1.5
135.08076	6.7
135.11745	7.4
137.09589	7.9
141.06992	2.0
143.08545	2.5
145.10117	17.0
147.08133	1.5
147.11668	20.6
149.09596	11.6
149.13252	2.3
151.07533	28.6
151.11163	16.7
155.08575	2.7
157.10110	3.7
159.08070	1.5
159.11685	11.1
161.13226	7.1
163.11137	2.1
163.14807	2.1
165.12794	4.9
169.10196	3.2
171.11699	5.5
173.09621	2.0
173.13223	10.4
175.11156	2.0
177.12808	1.8
183.11748	3.6
185.13205	1.8
187.11185	2.6
187.14764	3.6
191.10793	1.7
191.14331	3.5
197.13310	4.7
205.12181	1.5
215.14325	2.6
219.17299	1.6
229.19456	8.2
233.15378	2.8
239.17987	5.9
247.20634	6.8
257.19003	8.3
261.03110	2.8
275.20035	100.0
276.20395	4.6
279.23215	3.5
287.34955	1.5
289.21640	6.6
307.09613	1.8
307.19647	1.4
307.22845	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03946	14.9
55.01875	14.8
55.05509	74.1
56.01589	2.1
59.04990	2.7
60.67162	2.3
60.79055	2.2
67.05499	50.5
69.07062	24.8
71.04978	3.7
71.46951	2.5
79.05486	35.2
81.03426	35.6
81.07052	48.7
83.04977	9.7
83.08617	100.0
85.06557	7.0
91.05472	32.1
93.07040	38.6
95.04967	17.1
95.08598	23.8
97.06537	13.6
97.10187	4.6
98.98431	3.5
105.07016	25.8
107.04945	44.2
107.08597	22.9
109.06524	11.7
109.10126	4.8
111.08096	23.6
117.07018	15.0
119.08592	20.4
121.06503	7.4
121.10161	30.9
123.08060	6.7
125.09604	2.4
129.06996	6.0
130.07809	3.1
131.04913	4.6
131.08566	10.6
133.10149	11.3
135.08046	4.8
135.11699	23.0
137.09608	3.5
137.13229	3.0
138.34550	2.5
139.11220	6.5
143.08534	3.5
145.06500	5.4
145.10123	27.0
147.11699	15.2
149.09624	21.2
149.13242	3.4
151.11067	2.7
155.08569	7.7
159.11703	10.1
161.13243	7.1
163.11182	47.4
164.92082	4.6
165.12714	11.9
171.11768	3.0
173.06358	2.5
173.09573	17.7
173.13268	8.9
177.12788	2.7
183.11671	3.4
184.53259	2.3
189.12839	3.1
191.10622	6.8
193.12354	3.3
195.53371	2.5
196.42334	2.6
219.13979	3.3
239.17772	2.8
257.18985	6.7
261.03046	3.8
275.20032	32.1
289.17899	2.8
289.21539	5.9
307.22696	80.4
308.23129	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01867	3.0
55.05511	17.5
57.03427	2.3
57.07070	3.9
67.05503	17.1
69.03407	1.5
69.07073	16.1
71.04987	1.6
71.08629	1.3
71.46659	0.9
79.05487	13.1
81.03407	4.0
81.07052	20.6
83.04978	6.8
83.08620	6.0
85.06530	2.5
91.05476	9.9
92.04956	1.0
92.63258	0.8
93.07038	15.5
95.04974	6.5
95.08605	14.4
97.06528	3.1
97.10163	2.9
98.06049	8.8
99.08102	0.9
105.07033	12.0
107.04928	5.0
107.08594	11.9
108.04505	1.6
109.06512	9.3
109.10150	7.2
111.04433	1.5
111.08115	1.9
112.07574	1.2
113.09748	0.9
115.05339	0.8
117.06998	4.5
119.08597	7.2
121.06516	5.1
121.10126	5.7
123.08057	8.5
123.11740	1.6
125.09651	2.3
129.07005	1.4
131.08565	7.4
133.06454	1.5
133.10123	10.2
135.08058	3.6
135.11691	3.9
137.09607	7.1
141.06963	0.8
143.08566	1.2
145.10106	6.4
147.08069	1.9
147.11662	7.4
149.09607	4.4
149.13242	1.9
151.11172	5.7
157.10170	1.6
159.08139	1.5
159.11708	4.4
161.09639	1.9
161.13266	1.3
163.11145	4.7
165.09128	2.2
171.11749	1.4
173.09706	1.0
173.13312	2.6
175.11163	1.6
177.12764	2.5
178.68863	1.1
179.14331	8.2
191.10703	0.9
191.14320	2.1
194.38069	0.8
200.53963	0.8
201.12733	1.7
219.13847	3.0
229.19475	1.1
233.15451	1.3
237.14943	1.1
239.17966	1.5
244.20741	1.5
247.20657	2.1
254.19019	0.9
257.19052	6.6
261.03043	1.3
272.20062	7.6
275.20041	45.6
276.20483	2.2
289.21613	2.3
290.21024	5.8
307.09381	1.2
307.19391	0.8
307.22696	32.5
308.29462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03945	1.6
55.01872	15.2
55.05512	28.9
57.03432	4.9
57.07069	1.0
59.04993	2.4
65.03932	1.3
67.05504	29.4
67.05867	1.4
69.03429	3.2
69.06712	0.9
69.07072	16.1
69.62557	0.6
69.87184	2.2
71.04993	2.0
77.03925	1.7
79.05493	53.0
80.05868	0.8
81.03413	4.3
81.07060	34.7
82.34860	0.6
83.04993	5.6
83.08624	15.2
85.06557	3.7
91.05479	31.8
91.91378	0.6
93.07044	30.5
95.04977	8.4
95.08606	18.9
97.06533	17.3
97.07010	0.5
97.10169	21.6
98.98476	0.6
99.08085	1.5
103.05498	1.0
105.04505	1.1
105.07029	35.2
106.07390	1.2
107.04959	10.9
107.08593	100.0
108.08917	1.6
109.06525	9.7
109.10165	7.0
111.08071	3.2
117.07027	8.7
118.64078	0.6
119.06053	2.9
119.08582	23.9
120.82326	0.7
121.06499	2.9
121.10153	10.4
123.08079	3.9
123.11712	2.8
125.09629	26.7
129.07005	2.1
131.08572	12.8
133.06540	1.0
133.10132	19.9
134.10477	1.0
135.08047	9.1
135.11694	6.4
137.09602	2.1
137.13255	0.8
138.06367	0.7
139.07484	1.2
141.06946	1.0
143.08618	3.0
145.06508	0.8
145.10121	15.4
147.08063	1.2
147.11690	14.7
149.09619	18.5
149.13287	2.4
151.11189	3.6
153.09099	4.8
153.12730	1.3
155.08559	1.1
157.10114	3.2
157.12257	2.6
159.08075	1.2
159.11719	10.0
161.09590	1.9
161.13275	5.3
163.11147	4.2
165.09143	1.0
165.12747	1.4
169.10153	2.7
171.10291	1.2
171.11696	2.8
173.11864	1.2
173.13257	6.6
175.11177	1.2
175.14780	1.5
177.12738	3.2
179.14296	0.8
181.12207	2.4
183.11636	1.5
185.13237	3.8
187.11230	2.2
187.14796	0.9
189.12686	0.8
191.14316	1.3
197.13362	2.3
201.16460	1.1
203.12738	20.6
203.14343	2.4
211.14706	1.3
213.14735	0.8
213.16595	0.9
215.14308	0.8
215.18062	0.8
219.17444	9.5
229.19461	2.7
235.16907	2.7
239.17953	5.5
247.20564	2.5
257.18991	13.1
261.03052	1.0
272.19962	0.8
275.20062	69.8
276.20410	3.2
289.18057	2.3
289.21576	14.0
290.21518	1.9
307.09601	1.1
307.18906	3.1
307.22668	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	3.2
53.54445	1.8
55.01876	11.9
55.05259	2.5
55.05508	35.9
57.03436	15.0
57.07076	3.1
59.04991	1.9
65.03930	3.0
67.05502	69.5
68.05829	2.2
69.03416	1.8
69.06705	2.8
69.07065	40.1
70.31387	3.6
71.04985	3.4
79.05045	3.2
79.05490	54.7
81.03419	8.8
81.07052	89.7
82.07376	3.4
83.04960	7.2
83.08623	13.3
85.06532	5.0
91.05479	46.3
93.07035	47.9
95.04414	3.0
95.04969	35.5
95.08013	3.3
95.08599	45.1
97.06534	15.0
97.10143	7.3
98.06039	7.1
99.06396	2.9
99.08108	2.9
105.07024	53.2
107.04949	8.9
107.08585	27.6
109.06515	20.5
109.10153	22.9
111.08070	5.2
115.05412	2.2
117.07004	13.7
119.08569	51.1
121.06507	4.9
121.10148	22.1
123.08067	26.6
123.11710	8.8
125.09663	2.6
129.06985	6.3
131.08559	22.2
133.06555	1.7
133.09172	3.4
133.10118	39.2
135.08038	10.5
135.11659	9.0
137.09612	14.4
137.13243	3.4
139.11189	2.7
141.06873	2.1
143.08521	5.5
145.10132	22.1
147.11678	28.8
149.09624	12.0
149.13258	4.3
151.11143	8.1
157.10117	6.5
159.11676	18.1
161.13298	9.6
163.11163	7.2
165.12761	5.3
171.11679	5.2
173.13242	10.8
177.12703	6.1
183.11676	4.3
185.13194	5.1
197.13177	2.7
201.12733	3.4
203.14305	3.3
207.13777	5.0
214.98323	1.9
219.13950	2.8
219.17435	12.4
229.19411	4.2
233.15359	2.6
235.16914	4.7
239.17961	6.3
247.20523	8.9
251.16382	2.7
257.18942	13.3
275.20053	100.0
276.20343	5.7
289.21609	15.5
290.22083	1.8
307.22736	47.2
307.28226	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73117	0.3
53.03940	0.3
55.01866	0.5
55.05508	1.9
56.96565	25.1
57.03406	0.6
67.05515	1.6
69.07043	1.0
69.25626	1.9
71.95235	0.5
72.96046	0.5
73.04713	0.4
79.05479	2.2
81.03397	0.7
81.07066	1.9
83.04968	0.6
83.08593	1.3
84.96027	0.5
85.06524	0.5
88.07604	0.6
91.05456	1.4
92.98639	0.5
93.07037	2.2
95.04935	0.9
95.08575	1.0
95.77399	0.3
97.06516	0.7
97.10175	0.5
103.05531	0.4
103.63287	0.3
105.00125	1.6
105.07023	1.4
107.04958	0.5
107.08556	0.8
109.06499	0.9
109.10121	0.7
110.97603	0.7
111.08056	0.3
113.05981	0.3
115.00625	0.5
117.07029	0.5
119.01689	0.4
119.08548	1.1
119.95568	0.3
121.06497	1.1
121.10119	0.5
123.01172	1.5
123.08031	0.8
125.09625	1.0
127.00641	0.9
128.98599	0.8
131.08533	0.6
133.01700	0.4
133.06503	0.7
133.10138	0.5
134.10612	0.4
135.08026	0.4
137.02757	2.0
139.00667	2.4
141.02234	2.3
145.01691	0.7
145.10152	0.4
147.08034	0.4
151.00645	1.0
151.07599	0.6
153.02216	2.1
153.31927	0.4
155.03799	1.2
157.01706	1.5
159.03305	1.9
163.04266	0.6
165.05893	0.9
165.09128	0.5
167.03784	2.3
169.01700	1.0
169.05391	0.8
171.03299	3.6
173.04887	0.8
175.02747	0.4
177.04318	0.5
177.05824	0.4
177.09087	0.5
181.01840	0.5
181.05331	0.7
183.03265	1.2
183.06886	1.1
185.01247	0.6
185.04871	3.5
187.02843	0.5
187.06381	0.7
189.04315	1.4
189.05862	0.4
189.11220	0.6
191.05873	0.5
191.07455	0.9
193.05302	1.6
193.08954	1.8
195.06848	2.0
197.04837	0.9
199.06425	0.7
201.04305	1.0
203.05956	2.1
207.06934	1.1
209.04927	0.6
211.06438	2.7
211.10043	0.9
213.05937	0.7
213.07964	6.9
215.21977	0.5
217.07373	0.5
219.07001	1.7
221.08542	2.7
223.06377	1.0
223.10052	2.2
225.07999	1.3
229.07449	6.2
231.06891	2.4
231.09059	6.2
237.07996	3.6
239.09537	14.8
240.09860	0.7
241.07500	0.9
241.11128	4.1
243.09041	0.5
247.06387	0.5
247.08566	4.3
249.07994	3.8
252.09270	0.3
255.08911	1.8
257.10596	8.5
257.13107	0.6
259.12061	2.3
262.11090	0.7
267.09015	30.6
268.09433	1.1
273.18509	0.5
285.10083	100.0
286.10394	3.7
290.10663	2.2
290.18347	1.8
290.21118	0.4
291.19553	1.6
303.11142	99.3
304.11539	4.4
305.11655	0.5
307.26764	2.0
308.06296	0.5
308.11658	8.9
308.14850	0.6
308.18939	1.2
308.22226	0.7
308.26822	1.6
309.11624	1.0
309.20740	1.0
321.12128	1.8
326.12680	6.9
327.13321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05520	1.2
57.07068	0.6
58.02954	0.3
59.04991	0.2
65.03942	0.4
66.50246	0.2
67.05508	1.2
67.59097	0.2
69.03443	0.3
69.07068	1.2
69.79560	0.7
71.08624	0.7
79.05487	1.6
81.07042	2.7
83.08597	0.7
85.06562	0.7
91.05474	1.1
93.07027	1.4
94.04198	1.6
95.04975	0.7
95.08596	1.5
97.06526	0.6
97.10158	0.6
98.22762	0.3
99.08111	0.4
104.89608	0.2
105.07022	0.5
107.04350	0.2
107.04917	1.5
107.08610	1.3
107.74652	0.3
109.06518	0.9
109.10136	0.6
111.08117	0.3
112.43891	0.3
119.08585	0.7
121.06492	0.3
122.03632	6.0
123.07998	0.6
125.09637	0.4
133.10098	0.3
135.08047	0.7
137.05969	100.0
137.13229	0.5
138.06300	2.4
145.10144	0.4
151.07561	0.7
153.12801	0.3
165.12738	0.6
172.16972	1.5
173.11659	0.3
184.16936	3.3
193.08702	0.3
193.12192	0.3
205.40944	0.3
216.08012	0.3
217.63835	0.3
273.18375	0.3
290.21225	0.5
291.19550	1.1
291.23199	2.2
308.19113	0.4
308.22552	1.6
308.25882	0.9
308.29007	0.3
309.20685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.0
56.96571	1.4
57.03429	3.7
57.07087	1.6
60.70295	1.1
61.02935	1.6
67.05494	3.3
68.01357	1.2
69.03423	4.5
69.07068	100.0
70.06400	2.4
70.07404	1.5
79.05470	3.0
81.03415	2.0
81.07053	3.1
83.08613	2.4
85.02901	20.2
87.04446	1.8
87.55149	1.1
91.05463	4.9
91.64759	1.4
93.07033	1.8
95.04956	2.5
95.08589	3.6
97.02879	3.0
97.06529	1.7
98.98439	2.3
99.04505	1.4
103.05466	1.7
105.07043	6.5
107.08595	2.1
111.11718	47.5
117.06978	1.8
119.04950	2.2
119.08559	3.7
121.10115	2.3
123.08025	1.8
127.03915	2.7
129.12762	35.6
130.13145	1.8
131.04926	2.4
145.04990	3.2
146.07254	1.3
147.04440	1.2
147.11693	4.6
147.13782	4.1
151.07504	2.0
177.12874	1.2
189.06937	2.3
205.06442	1.8
206.07368	1.8
223.07526	3.6
231.08063	1.9
234.06775	6.4
235.07520	1.5
249.09084	5.4
251.07018	16.2
262.06152	3.4
265.08606	2.0
266.09357	6.3
277.08658	11.6
278.09235	1.5
279.06506	12.0
293.08014	2.0
294.08832	46.3
295.09216	3.1
309.11191	95.8
310.11548	6.7
310.16486	6.4
330.97336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.48882	1.5
53.03941	9.4
55.01874	9.2
55.05511	16.6
57.03434	3.3
57.07067	2.3
65.03954	1.7
67.05159	2.9
67.05505	41.8
69.03421	2.9
69.07066	32.3
69.23597	6.7
69.24012	2.5
71.04981	7.7
71.08649	2.0
74.64848	1.3
77.03932	2.0
79.05491	58.7
79.05951	3.1
81.03408	21.7
81.07053	100.0
83.04987	10.0
83.08617	6.3
85.06534	5.9
91.04939	2.8
91.05480	39.6
91.72372	1.5
93.06447	2.7
93.07037	45.9
95.04971	16.5
95.08603	20.4
97.06528	5.9
99.08068	6.5
105.07025	24.1
107.04951	59.2
107.08583	17.8
109.06513	30.9
109.10139	5.0
111.04504	3.3
111.08080	5.8
113.06023	4.5
115.05455	1.9
117.07000	14.3
119.08579	17.0
121.06498	10.9
121.10152	21.4
123.04448	2.3
123.08053	11.2
123.11766	1.6
129.06990	10.3
130.07790	1.7
131.04959	2.2
131.08565	15.2
133.06476	4.1
133.10139	15.5
135.08054	9.8
135.11696	11.8
137.06026	2.0
137.09573	2.6
143.08553	4.7
145.06465	4.9
145.10121	18.8
147.08055	5.1
147.11711	11.0
149.09624	18.2
149.13264	2.9
151.11156	2.5
155.08578	4.9
157.06502	2.0
157.10133	10.7
159.11685	7.6
161.09610	10.8
161.13271	3.1
163.11192	15.8
165.09070	2.1
165.12750	2.9
165.84116	1.5
171.11664	5.1
173.09665	13.9
175.11183	11.5
177.12758	6.3
181.12257	3.1
185.09612	3.1
189.12808	3.0
191.10692	5.2
193.12238	7.2
199.11185	1.9
203.10666	4.7
209.11644	4.7
217.12265	3.2
221.11746	5.9
227.12819	3.3
227.17982	1.9
235.13274	2.4
245.18942	2.3
255.17378	3.4
260.15695	1.7
263.20081	7.4
273.18469	19.7
291.19522	38.1
292.19727	2.9
309.11063	6.5
309.20496	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.1
55.01867	15.5
55.05511	69.8
56.05833	1.1
57.03436	8.9
57.07076	1.5
59.05006	3.0
65.03940	1.8
66.59139	1.2
67.05505	53.0
69.03427	13.5
69.07069	27.2
69.72839	2.1
69.73186	3.1
71.05000	5.1
77.03931	2.2
79.05495	57.5
81.03423	18.6
81.03892	1.5
81.07056	94.9
82.07394	1.4
83.04988	16.9
83.08616	36.2
83.09096	2.2
85.02910	3.1
85.06535	6.6
87.04448	1.9
91.05479	28.3
91.06049	1.5
93.07043	56.0
95.04964	37.5
95.08604	52.9
97.02891	1.3
97.06531	9.4
97.10166	52.1
98.22745	2.0
99.04457	1.5
99.08106	5.0
101.09673	1.5
103.05436	1.1
105.04520	1.4
105.07027	30.5
107.04951	9.4
107.08589	37.8
109.02902	1.5
109.06518	12.1
109.10165	19.4
111.04447	11.2
111.08090	10.6
113.06005	5.9
115.05439	1.8
117.07005	11.0
119.04926	1.5
119.08588	23.9
121.06492	9.0
121.10144	21.1
123.04465	1.9
123.08067	81.6
123.11666	9.2
124.08391	1.2
125.06007	1.6
125.09627	45.5
129.07011	4.8
131.08562	17.7
133.06516	4.0
133.10117	15.5
135.08069	9.2
135.11720	9.1
137.05940	1.7
137.09648	11.4
139.07588	1.1
139.11205	3.6
143.08591	5.5
143.10722	2.5
145.06499	2.0
145.10146	14.6
147.08031	9.4
147.11685	8.4
149.09604	7.5
149.13278	3.1
151.11197	4.2
153.09073	5.8
153.12775	6.3
155.10681	1.4
157.10135	8.0
159.11720	6.7
161.09642	6.9
161.13260	2.3
163.11180	20.8
165.09105	14.5
167.10727	2.3
169.12263	7.0
171.10199	4.3
171.11754	3.6
173.09644	2.8
173.13248	1.2
175.11198	6.0
177.12744	3.0
181.10725	1.3
181.12206	7.3
185.13351	2.3
187.11287	1.9
187.13295	8.3
189.11223	35.0
189.12720	2.0
190.11621	1.7
191.10678	5.5
193.12260	13.8
195.13780	1.3
199.11296	1.3
205.12225	1.3
209.11729	1.7
211.13277	8.0
213.12553	1.3
213.16391	1.3
221.11723	1.3
221.15421	1.5
223.13261	8.1
227.12843	4.6
227.17943	4.5
231.17499	2.2
237.16460	2.6
245.19058	3.5
247.16896	1.5
249.14893	1.5
249.18454	2.8
255.17525	7.0
263.20047	4.6
273.18481	44.2
274.18872	2.6
286.10425	2.1
291.19547	100.0
292.19806	6.0
304.11533	1.8
309.11313	2.7
309.16745	7.6
309.20605	31.2
310.20779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.74930	1.4
53.03953	2.4
55.01878	18.3
55.05516	20.5
57.03434	3.3
57.07077	2.7
59.05000	2.0
61.79010	1.3
65.03947	3.1
67.05508	59.7
69.03438	4.6
69.07074	21.7
69.42719	1.5
70.81557	2.9
71.04992	9.2
74.41554	1.4
77.03915	1.8
79.05494	35.1
79.05945	1.9
81.03417	3.5
81.07059	74.5
82.07386	1.8
83.01346	2.0
83.04981	14.5
83.08638	8.4
83.09033	1.3
85.02912	2.4
85.06560	6.7
91.05479	47.3
93.07048	39.3
93.07603	2.7
95.04987	10.6
95.08606	25.2
97.02888	1.9
97.06553	5.4
97.10171	3.1
99.04462	4.5
105.07035	48.8
107.04932	7.7
107.08601	45.8
107.09335	2.3
109.06509	11.0
109.10160	89.5
110.10587	1.8
111.04457	3.2
111.08083	5.9
113.06020	5.2
117.07056	6.3
119.08602	12.6
121.06493	7.4
121.10133	8.8
123.04474	1.6
123.08066	4.4
123.11707	9.8
125.06001	1.7
125.09594	3.7
127.07571	4.1
128.06296	1.6
129.06987	3.3
131.08589	12.8
133.06464	7.5
133.10132	100.0
134.10466	2.5
135.08095	6.1
135.11700	6.8
137.06049	1.9
137.09651	3.2
139.07587	4.2
143.08563	5.6
144.13287	1.5
145.10107	10.5
147.08060	6.3
147.11681	4.4
149.09607	2.1
151.11180	71.9
152.11592	2.6
157.10150	3.5
159.11649	2.4
161.09595	9.5
161.13271	2.0
163.11145	2.3
165.09123	3.2
165.12721	1.5
169.12241	20.9
171.11700	3.3
173.09720	2.4
175.11192	6.1
177.09180	2.6
179.10725	4.6
181.12276	2.5
185.13254	2.3
193.12190	2.1
197.11774	2.2
199.11188	2.6
205.12321	2.0
207.13840	2.2
213.12648	1.8
215.12755	9.8
217.12247	2.0
223.13319	3.5
227.17953	2.8
235.13295	2.4
245.18965	9.8
249.14761	1.6
255.17516	4.0
263.20126	11.9
273.18481	30.0
274.18839	2.4
291.19568	53.3
309.20633	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03950	4.7
55.01871	14.8
55.05511	50.6
57.03437	5.9
57.07088	2.9
59.05002	2.6
63.61716	1.2
65.03934	1.5
65.30175	1.2
67.05506	45.1
67.68777	1.4
69.03434	3.3
69.07066	19.5
71.05000	7.0
71.08623	6.9
79.05493	37.2
81.03416	10.4
81.07056	100.0
83.04984	22.0
83.08619	33.4
85.02912	4.4
85.06522	3.6
91.05486	18.5
93.07042	30.3
95.04965	16.6
95.08605	23.2
97.06516	7.1
97.10172	38.3
99.04465	3.7
99.08119	6.5
101.05994	1.3
101.09643	1.4
105.04513	1.5
105.07042	19.6
107.04960	5.0
107.08598	30.4
109.06511	10.4
109.10143	13.9
111.04435	29.7
111.08088	12.6
117.06998	8.8
119.08589	20.6
121.06514	6.2
121.10140	13.1
123.08063	46.2
123.11709	3.7
125.09629	36.0
129.07007	4.6
131.08569	10.6
131.09410	1.6
133.10139	7.5
135.08038	6.2
135.11710	10.5
137.09622	4.9
139.11194	5.6
143.08568	2.8
143.10712	2.5
145.10133	15.0
146.62164	1.6
147.08076	9.3
147.11682	7.4
149.09604	4.7
149.13249	5.6
151.11180	2.6
153.09087	5.2
153.12749	8.6
155.08614	1.9
155.70940	1.4
157.10165	3.0
159.11665	2.8
161.09573	3.3
161.13252	4.6
163.11188	18.2
163.14796	1.6
165.09145	5.2
165.12730	5.5
171.10201	3.4
171.11697	1.9
173.09657	3.8
175.11189	2.4
177.12756	2.0
181.12245	15.1
185.13321	1.9
189.09476	2.4
189.11212	46.4
190.11621	1.7
191.10681	16.6
193.12244	3.5
209.11699	2.7
211.13377	2.1
223.13280	6.8
223.95149	1.4
225.32585	1.5
227.12801	13.3
227.17705	1.5
237.14783	2.3
241.19664	1.5
245.19034	2.3
249.14862	2.0
258.52243	1.5
273.18463	18.9
277.21613	6.4
291.19550	85.3
291.23059	8.2
292.19952	3.2
292.22940	2.3
309.14984	2.0
309.20593	19.0
309.24237	41.7
309.28464	3.1
310.24448	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03935	3.8
55.01873	9.7
55.05510	57.0
57.03444	5.9
57.07085	6.5
59.04991	2.0
59.31368	0.9
65.03922	2.1
67.05502	41.2
69.03418	4.0
69.06708	1.7
69.07063	23.9
71.04980	4.7
71.08634	7.3
71.47630	1.0
73.02918	0.9
73.06530	1.6
77.01244	0.9
77.03913	1.0
79.05487	39.0
81.03417	6.2
81.07052	56.8
83.04980	11.7
83.08120	1.5
83.08616	30.2
83.76672	0.9
85.02894	1.3
85.06535	4.2
85.10191	1.2
91.04935	1.7
91.05476	22.8
93.07039	48.7
95.04961	19.7
95.08600	44.6
95.18302	1.0
96.57712	0.8
97.02882	2.8
97.06519	11.9
97.10160	13.1
99.04446	2.9
99.08092	8.1
105.07028	20.2
107.04950	7.1
107.08593	27.7
109.06487	7.0
109.10148	15.5
111.04460	5.8
111.08076	6.4
113.05991	1.9
113.09607	1.9
115.05461	1.0
117.07005	9.7
119.08577	18.7
121.06511	5.3
121.10142	19.5
123.08070	9.6
123.11711	4.2
125.05984	1.6
125.09626	10.9
129.06990	3.9
131.08582	8.9
133.10132	12.9
135.08037	3.8
135.11693	31.6
137.09630	5.2
137.13254	1.5
139.07487	1.9
139.11165	10.9
143.08504	2.7
145.10112	15.7
147.08063	2.4
147.11655	11.1
149.09628	2.7
149.13219	5.9
151.11195	5.0
153.12740	3.9
157.10094	6.2
159.11650	4.4
161.09630	2.3
161.13243	4.2
163.11166	33.9
163.14809	2.7
165.09082	3.3
165.12703	4.3
167.10684	1.2
171.11670	2.9
173.13245	2.5
175.11154	3.6
175.14816	3.7
177.12720	2.6
179.14340	4.2
181.08067	1.0
181.12231	8.4
182.15259	1.2
185.13216	2.7
189.11174	4.0
189.12727	1.6
191.10629	2.0
191.18024	1.4
193.12320	5.0
199.14865	1.5
203.12753	1.6
203.14488	1.2
203.74998	1.1
207.13800	1.8
209.11685	2.3
211.13319	2.1
221.15405	1.9
223.13174	1.3
227.12769	100.0
228.13115	3.9
231.21037	2.3
241.19417	2.3
249.22107	2.0
259.20496	4.3
273.18420	6.8
277.21603	42.0
278.21878	3.0
291.19519	19.1
291.23102	4.8
292.19821	2.0
295.22787	1.2
309.20544	3.3
309.24054	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.53807	1.6
53.03942	3.9
55.01873	14.4
55.05513	44.1
57.03429	6.0
57.07077	2.3
59.60817	1.5
60.18245	1.3
67.05499	39.4
69.03425	4.5
69.07066	25.1
70.16043	3.1
70.16384	1.9
71.04987	3.8
79.05490	45.3
81.03419	17.7
81.07053	96.7
82.01124	1.5
83.04978	15.2
83.08620	20.4
85.02894	3.4
85.06532	4.0
88.07726	1.4
91.05476	23.5
93.07045	29.0
95.04971	13.3
95.08603	22.1
96.64285	1.3
96.84345	1.4
97.06539	11.8
97.10164	35.1
97.10742	3.0
98.22723	2.2
99.08092	5.0
100.57336	1.3
105.07030	17.0
107.04939	6.9
107.08593	21.6
109.06514	22.8
109.10165	11.5
111.04440	14.0
111.08105	8.3
115.19823	1.6
117.07005	8.1
119.08582	16.6
121.06503	6.1
121.10134	12.9
123.08067	34.1
123.11739	1.9
125.09626	26.1
128.06238	1.4
129.07004	3.2
131.08560	11.8
133.06534	3.0
133.10118	8.0
134.17516	1.5
135.08041	11.2
135.11713	7.2
137.09644	7.0
139.11186	3.4
143.08542	3.5
145.06546	2.3
145.10107	11.1
147.08037	6.3
147.11696	6.8
149.09634	7.0
149.13232	4.5
151.11150	1.7
153.09123	2.0
153.12680	3.0
157.10161	5.4
159.08023	1.6
159.11713	4.3
160.15594	1.6
161.09633	5.0
163.11166	21.2
165.09152	10.0
168.02493	1.6
171.10115	4.3
171.11621	3.3
173.09552	2.1
175.11194	4.9
177.09251	1.6
177.12737	2.0
181.12193	11.1
189.11211	24.7
189.12766	3.1
191.10637	9.5
193.12219	13.0
209.11714	1.8
211.13297	9.9
217.15900	2.5
223.13278	6.4
227.12766	5.9
227.18040	3.8
236.38646	1.6
245.18959	3.1
255.17406	3.1
263.20065	4.2
273.18463	31.0
291.19531	100.0
292.19861	5.6
309.20587	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03942	14.7
55.01874	9.5
55.05508	17.3
57.03436	20.1
58.77291	1.6
65.03943	2.9
67.05157	3.1
67.05508	45.5
69.03426	5.6
69.07064	14.4
70.27925	2.8
70.28253	2.4
70.69058	1.7
71.04990	13.2
77.03934	1.7
79.05492	46.2
79.05946	2.8
81.03414	37.6
81.07055	100.0
83.04980	12.9
83.08620	8.7
85.06565	4.5
91.05479	36.7
93.07041	43.7
95.04397	2.9
95.04958	22.0
95.08604	40.0
95.87078	1.6
97.06527	22.1
97.10182	5.3
99.08110	5.6
105.04501	1.8
105.07031	29.5
107.04963	19.5
107.08591	24.1
109.06519	60.0
109.10160	10.2
111.04453	4.9
111.08060	4.2
113.06002	2.8
115.05459	1.9
115.07565	3.2
117.07026	17.0
119.08585	19.0
121.06511	10.5
121.10139	12.9
123.04417	2.7
123.08064	16.6
125.09648	3.3
128.06290	1.7
129.07028	6.8
131.08582	21.7
133.06506	3.6
133.10139	17.1
135.08043	17.9
135.11685	13.5
137.09575	3.4
141.07030	3.6
141.48671	1.7
143.08559	4.9
145.06491	7.2
145.10098	16.0
147.08063	5.6
147.11708	5.0
149.09624	6.9
149.13264	5.0
151.11183	8.3
153.09171	2.4
154.07816	1.8
157.10136	7.7
159.08095	4.7
159.11690	13.9
161.09631	7.6
163.11182	3.0
167.10724	2.7
168.91714	1.6
169.10138	6.2
171.11702	4.8
173.13361	3.3
175.11160	4.1
175.14821	1.8
177.12764	7.9
185.13240	3.1
187.11191	13.0
189.12772	2.6
195.13812	6.3
199.14885	2.6
205.12323	2.6
217.15906	9.1
219.13890	3.7
221.15326	4.2
223.13268	6.7
233.15436	3.6
241.14398	4.8
245.19072	3.2
251.16405	2.9
251.37416	2.0
255.17430	4.0
263.19952	2.4
271.06549	1.6
272.52454	2.0
273.18488	22.8
274.18649	3.0
285.69833	1.7
291.19525	88.4
292.19836	4.6
309.20544	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.59670	4.7
55.01881	9.3
55.05513	47.6
57.03435	35.4
62.67652	4.4
67.05503	44.9
69.07069	16.9
69.20547	28.0
71.04983	6.2
79.05501	55.3
81.07053	83.5
83.04984	5.7
83.08614	21.5
85.06539	6.4
91.05481	39.8
93.07046	42.9
95.04962	13.0
95.08615	31.2
96.13289	5.1
97.06517	9.6
97.10165	22.9
98.23089	23.4
99.08098	7.6
105.07027	42.4
107.04952	19.4
107.08607	24.2
109.06528	29.0
109.10139	13.4
111.08025	5.8
117.07019	30.3
119.08589	46.1
121.06480	16.4
121.10152	16.8
123.08071	13.3
123.11729	5.0
125.09620	22.5
129.06981	14.6
131.08557	37.3
133.06558	5.7
133.10123	17.7
135.08080	12.8
137.09587	7.3
143.08554	16.7
145.10123	53.1
147.08072	23.7
149.09660	5.4
157.10143	15.6
159.07986	5.4
159.11658	15.1
161.09645	9.5
169.10004	4.7
171.11746	10.3
173.13316	6.9
175.11153	4.3
177.12807	4.6
185.13181	5.2
187.11081	4.8
189.11183	12.0
201.12697	6.4
206.15710	4.5
219.13866	7.9
227.17854	5.4
233.15340	9.4
237.16519	7.2
245.19000	6.9
255.17462	12.5
263.20074	9.1
273.18481	74.3
291.19550	100.0
292.19815	5.8
309.11331	4.9
309.20404	8.0
309.80905	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01875	4.6
55.05511	5.0
55.51168	0.6
57.03437	35.9
57.07072	1.0
58.03765	1.0
65.03938	2.1
67.05505	29.2
68.05812	0.6
69.03439	1.5
69.07057	2.5
70.71132	0.8
71.05001	3.9
79.05498	11.7
81.03394	1.0
81.06615	1.1
81.07052	11.0
83.04969	1.2
83.08617	2.3
85.06543	32.0
85.59348	0.6
86.06879	1.0
91.05473	11.1
93.07046	10.3
95.04965	44.3
95.08595	6.4
96.05293	0.7
97.06523	2.6
97.10170	1.2
104.40380	0.6
105.07040	8.2
107.04978	3.2
107.08592	8.1
109.06515	41.6
109.10176	1.5
110.06858	0.7
111.08088	1.1
113.06004	100.0
114.06336	1.7
115.05496	1.0
117.07044	5.4
119.08582	4.3
121.06483	2.4
121.07343	0.5
121.10142	3.3
123.08065	2.2
128.06184	0.7
129.07018	3.1
131.08568	8.4
133.06468	0.9
133.10136	3.7
135.08052	30.8
135.11661	2.4
136.08392	1.0
141.06987	1.1
143.08559	3.6
144.28070	0.6
145.06482	0.7
145.10112	3.8
147.08038	1.8
147.11707	1.4
149.09662	3.5
157.10118	4.1
159.08099	1.0
159.11711	3.8
161.09612	4.3
163.11192	1.2
171.11607	1.4
173.13326	1.4
175.11179	1.3
177.12767	1.8
183.11653	0.8
185.13271	1.3
189.16214	0.8
195.13797	0.9
199.14838	2.5
201.12752	1.1
217.15857	12.9
218.16216	0.8
219.13930	0.9
227.17981	0.9
237.16441	1.0
245.19081	1.1
255.17462	1.6
273.18494	15.3
274.18832	0.9
291.19531	44.3
292.19907	3.0
309.20660	1.3
318.22000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.66606	0.8
53.03935	2.9
55.01876	9.2
55.05509	29.1
57.03436	5.3
62.91573	0.9
66.21140	0.9
67.05159	1.9
67.05501	29.8
68.05812	0.9
69.03419	3.6
69.06743	1.2
69.07066	10.1
70.08257	2.1
71.04980	3.7
77.03918	1.1
79.05489	33.6
80.88856	0.9
81.03403	2.5
81.07054	34.8
83.04974	6.7
83.08610	13.0
85.02893	1.3
85.06530	4.0
85.48307	0.9
91.05473	23.9
93.07038	26.5
94.94911	0.9
95.04970	12.6
95.08602	42.2
96.08909	1.1
97.06518	8.3
97.10160	17.1
98.22765	1.2
98.98451	1.1
99.08085	2.4
103.05464	1.1
105.04507	1.1
105.07027	20.7
105.87982	0.9
107.04940	7.2
107.08585	19.2
109.06514	11.4
109.10162	7.3
111.04436	1.8
111.08086	5.0
113.06028	4.8
115.05447	1.1
117.07017	14.9
119.08578	27.9
120.08938	1.3
121.06465	5.2
121.10136	15.2
123.08067	12.0
123.11678	2.6
125.05928	1.8
125.09624	13.2
127.07585	2.0
128.06210	1.6
129.06995	5.7
131.08554	14.5
133.06487	6.8
133.10126	9.3
134.07349	1.3
135.08031	8.5
135.11710	3.4
137.09587	7.0
142.80974	0.9
143.08559	4.9
145.06476	1.0
145.10123	16.3
146.10454	1.2
147.08044	18.4
147.11653	5.2
149.09628	9.3
149.13243	1.3
151.07442	1.5
151.11195	2.0
153.09108	1.9
153.12796	1.2
155.08611	1.2
157.06642	1.1
157.10135	6.5
159.08005	3.2
159.11707	5.3
161.09618	8.7
161.13268	1.1
163.11163	5.7
165.09096	3.2
165.12830	1.2
169.10143	1.2
171.10208	1.2
171.11659	3.2
171.41127	0.9
173.09607	1.3
173.13333	1.6
175.11172	4.5
175.75670	0.9
183.11667	1.2
185.13249	2.4
187.11078	1.2
189.11285	9.3
189.12830	1.9
191.14035	1.0
193.12161	1.6
199.11131	1.6
199.14726	1.8
201.12686	1.4
201.55373	1.0
217.15851	2.7
223.13277	3.3
227.17992	1.9
237.16479	1.9
245.19006	2.7
249.09032	1.3
255.17499	4.5
263.19977	2.8
265.18042	1.8
273.18466	31.7
274.18701	1.3
281.11606	0.9
291.19522	100.0
292.19705	6.4
309.11127	5.3
309.20569	85.5
310.20963	5.3
310.24017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	3.0
55.01867	11.5
55.05510	20.0
57.03437	4.6
66.41906	1.6
67.05504	30.2
69.03441	2.4
69.07055	7.2
71.04985	3.9
79.05489	28.4
81.03430	3.9
81.07053	52.8
83.04978	18.7
83.08627	9.7
85.02917	5.8
85.06547	2.8
91.05476	17.6
93.07040	21.5
95.04963	20.6
95.08604	9.6
97.06543	4.0
97.10130	8.9
99.04459	3.1
99.08144	1.7
103.05473	4.0
105.07024	15.0
107.05005	7.7
107.08599	10.6
109.06514	19.2
109.10171	6.4
111.04437	36.1
111.08060	10.8
113.05975	3.6
117.07001	11.0
119.08578	19.2
121.06518	10.0
121.10138	10.8
121.80793	1.5
123.04411	1.8
123.08062	9.9
125.06046	2.3
125.09625	7.4
129.07013	6.0
131.04948	5.9
131.08583	10.8
133.06494	4.4
133.10132	5.3
135.08051	16.0
135.11684	8.4
137.06023	4.2
137.09630	3.8
139.60820	1.5
143.08583	4.7
145.10132	14.8
147.08044	23.3
147.11659	2.6
149.09665	4.8
151.07561	5.7
153.12738	10.6
157.10188	3.1
159.08061	3.2
159.11685	2.7
161.09668	4.5
163.07553	11.5
163.11157	17.2
163.12283	1.9
165.09140	5.0
170.92108	1.5
171.08064	1.7
171.10262	1.6
171.11676	1.9
173.09660	2.7
175.11165	1.5
181.12181	14.1
185.09663	1.7
187.07645	1.6
189.11293	4.0
191.10672	14.2
203.42207	1.4
209.11693	2.7
223.13318	4.8
227.12756	9.7
227.17989	2.1
245.18929	1.9
249.14897	3.7
255.17471	3.0
265.94992	1.7
267.78076	1.5
273.18460	30.0
277.12289	2.3
291.19537	100.0
292.19821	4.6
296.25372	1.5
309.14777	17.0
309.20404	1.8
321.21417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
55.01872	4.2
55.05507	20.9
57.03442	1.6
57.07079	4.7
59.05005	1.3
67.05503	47.7
69.03424	2.0
69.07067	32.8
69.07447	1.7
69.62020	1.2
69.62362	3.1
71.04995	1.6
71.08627	4.3
73.00349	0.9
77.03919	1.2
79.05490	30.9
81.03413	53.5
81.07053	43.9
82.07393	1.3
83.04979	13.4
83.08604	8.6
83.99774	1.0
85.06537	1.5
85.10178	1.9
91.05473	19.3
93.07039	29.8
95.04965	30.7
95.08605	18.0
97.06538	4.6
97.10168	9.5
99.08092	3.9
105.07027	17.6
107.08591	20.0
109.06502	6.8
109.10147	14.5
110.10465	1.1
111.08089	3.5
113.09681	2.3
117.07043	3.4
119.08596	9.8
121.06522	1.6
121.10150	7.1
123.08076	3.1
123.11676	6.0
125.09632	13.7
129.06964	1.3
130.42770	1.2
131.08566	4.2
133.10124	14.2
135.08012	6.3
135.11684	6.5
137.09639	1.8
137.13232	1.6
145.10146	2.4
147.08096	1.8
147.11682	10.0
149.09610	2.0
149.13249	5.3
151.11169	37.2
152.11551	1.6
153.09106	4.1
157.10159	1.6
159.11760	1.6
161.09566	1.2
161.13252	9.8
163.14853	3.3
165.12747	6.8
171.11703	3.7
173.13251	1.6
175.11183	2.1
175.14850	4.5
177.12701	1.7
179.14206	4.9
185.13322	1.9
189.12643	2.3
193.12231	1.9
199.14777	1.9
203.12746	9.6
207.13788	5.3
217.19495	2.8
221.15359	1.6
224.72586	1.0
231.21120	8.8
241.19511	3.9
249.22217	4.1
259.20642	5.9
277.21616	100.0
278.21973	7.9
309.24265	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03405	2.4
53.03941	5.7
55.01867	14.1
55.05513	76.8
56.05840	2.8
57.03439	13.7
57.07059	11.9
59.05000	4.6
60.60338	2.3
67.05505	82.6
69.03434	6.2
69.07069	49.1
69.82089	2.9
69.82415	4.7
71.04996	8.7
71.08627	24.6
73.06529	2.8
79.05494	65.9
81.03414	12.0
81.07055	100.0
83.04979	26.1
83.08619	39.8
84.08965	2.2
85.06553	10.1
91.05479	44.3
93.07044	78.7
95.04967	30.0
95.08603	77.1
95.09214	3.7
97.06527	21.3
97.10167	20.9
98.23477	2.3
98.98478	2.7
99.08092	19.3
105.07030	41.6
107.04980	9.3
107.08591	47.5
109.06525	10.9
109.10158	28.4
111.04471	6.0
111.08097	7.8
111.11716	2.6
117.07040	11.3
119.08575	36.3
121.06463	5.8
121.10135	32.1
121.10871	2.9
123.08060	12.6
123.11711	7.3
125.06032	3.1
125.09614	15.6
127.07592	4.1
127.11102	2.3
129.07051	4.2
131.08543	17.3
133.06503	2.7
133.10120	26.5
135.08063	6.2
135.11702	39.4
137.09621	7.7
137.13300	3.7
139.11169	22.6
143.08578	8.1
145.10097	14.2
147.08072	4.6
147.11702	19.2
149.09608	4.1
149.13229	12.7
151.11203	13.3
153.12776	6.1
157.10115	13.7
159.11688	7.9
161.09622	3.6
161.13232	13.4
163.11194	29.4
163.14864	5.7
165.09123	3.0
165.12772	7.4
171.11676	6.5
173.13347	6.6
175.11221	6.1
175.14838	9.5
177.12759	6.6
177.16432	2.2
179.08635	2.4
179.10667	2.6
179.14290	9.6
181.12257	6.9
185.13167	4.1
189.11250	3.8
189.12776	2.6
193.12291	9.7
199.14940	4.7
203.12764	5.2
207.13875	3.8
207.30843	2.2
211.13307	3.0
211.15187	2.1
215.17941	2.3
217.19406	2.6
221.15486	5.2
227.12779	72.6
228.13153	3.5
231.21060	4.7
235.16927	2.8
241.19543	5.6
249.22195	5.2
259.20578	10.9
273.20660	5.4
276.90897	2.1
277.21631	96.5
278.21948	4.4
278.63431	2.5
291.19321	16.7
291.22708	4.9
294.93326	2.1
309.20819	4.8
309.24240	36.0
309.29739	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.34449	0.6
53.03939	1.6
55.01854	2.8
55.05262	1.3
55.05510	15.0
57.03432	3.7
57.07075	4.8
59.04985	1.0
65.03940	1.5
67.05500	36.6
69.03410	1.9
69.07065	13.2
71.04974	2.4
71.08628	45.8
71.22496	0.7
73.06551	0.8
77.03915	1.3
79.05489	37.0
80.05830	0.8
81.03404	7.0
81.07052	41.9
82.07372	0.8
83.04974	9.8
83.08621	8.9
85.06528	3.0
91.05476	21.2
93.07040	51.8
94.07362	1.1
95.04961	7.9
95.08603	29.3
95.09220	1.4
97.06538	9.9
97.10172	3.6
99.08089	41.4
105.04530	2.0
105.07033	14.0
107.04940	5.4
107.08587	23.9
107.09169	0.5
108.08870	0.8
109.06507	2.8
109.10141	10.4
111.08035	2.0
111.11760	0.8
113.09628	2.2
117.07011	4.0
117.09034	0.7
119.08570	11.0
121.06509	1.1
121.10137	27.8
121.12402	0.7
122.10422	0.8
123.08045	1.9
123.11668	1.4
125.09640	1.4
127.11162	0.8
129.07024	1.4
131.08578	3.9
133.06473	1.1
133.10123	9.8
135.08046	0.7
135.11685	33.7
136.11998	1.4
137.09619	3.4
137.13213	1.2
139.11180	1.6
141.09100	4.1
143.08551	1.7
145.10107	3.9
147.08022	0.9
147.11694	4.5
149.09604	0.8
149.13240	10.3
151.11171	16.7
152.11520	1.0
153.09209	0.6
153.12761	3.0
157.10101	2.1
159.11685	3.9
161.13254	10.9
163.11160	6.0
163.14789	1.3
165.12773	1.1
167.10713	2.0
171.11658	2.1
173.13298	1.2
175.14806	2.3
177.12727	2.7
179.14297	100.0
180.14697	2.9
181.12228	1.4
185.13283	2.2
189.12738	2.1
193.15878	6.1
195.13782	1.3
199.14815	1.6
203.14359	0.6
207.13768	1.3
213.16330	0.9
221.15366	3.1
231.17612	0.9
231.20932	1.1
235.16986	4.4
241.19467	2.7
249.22223	1.0
259.20609	4.9
277.21619	61.9
278.21893	4.1
295.54828	0.6
309.24377	4.7
311.77039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	4.6
55.01878	12.2
55.05511	46.8
57.03428	7.1
57.07075	11.9
59.04984	4.6
60.21672	2.4
62.27416	2.4
65.03947	2.7
67.05505	71.0
69.03424	7.2
69.07068	44.2
69.22778	2.1
69.75449	7.0
71.04985	6.2
71.08629	36.0
73.06566	2.9
79.05488	63.5
81.03423	7.5
81.07053	89.4
83.04974	21.0
83.08616	25.6
85.06537	9.0
87.96622	2.1
91.05480	43.5
93.07040	72.9
95.04964	29.3
95.08604	57.7
97.06532	20.2
97.10151	12.3
97.77254	2.4
98.06091	4.1
98.98472	2.7
99.08087	24.2
105.07029	39.6
106.07379	2.5
107.04919	4.4
107.08580	36.8
109.06525	10.8
109.10159	19.8
111.08067	9.3
111.11720	3.4
111.77106	2.0
113.09646	2.8
117.07023	11.6
119.08581	30.5
121.06487	4.2
121.10149	29.8
123.08061	8.4
123.11690	8.0
125.09636	6.6
129.06990	8.9
129.17931	3.0
131.08540	17.6
133.10109	28.3
133.70313	2.3
135.08022	6.0
135.11688	23.8
137.09599	6.6
139.07526	4.4
139.11169	18.5
143.08521	5.2
145.10101	14.6
147.11668	22.9
149.09578	5.4
149.13258	15.2
151.11194	18.3
153.12775	4.6
157.10081	12.0
159.11717	5.1
161.09653	2.4
161.13235	15.9
163.11220	12.7
163.14790	6.2
165.12747	9.6
167.27986	2.3
171.11702	7.2
173.13271	6.8
175.11205	5.9
175.14804	8.0
177.12723	5.6
179.14276	6.7
185.13255	5.0
189.12830	2.7
193.12256	8.2
193.15927	3.7
207.13855	4.3
209.82271	2.4
215.18109	2.5
217.19423	2.5
221.15318	5.5
231.21146	5.9
241.19496	7.5
249.22142	4.2
259.20575	13.3
277.21609	100.0
278.21902	5.1
279.89084	2.0
281.86047	2.2
291.23215	9.3
295.22632	5.4
309.24243	38.2
309.29715	25.2
310.24417	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01874	9.8
55.05510	47.9
56.05840	1.5
57.03429	7.4
57.07067	11.6
59.04991	2.7
60.56912	1.4
61.15320	1.4
64.85763	1.3
65.03931	2.5
67.05501	80.0
68.29104	1.6
69.03425	4.8
69.06706	2.6
69.07065	39.9
70.07398	1.9
71.04990	5.1
71.08630	25.6
73.06548	2.9
79.05490	46.4
81.03402	7.8
81.07053	82.3
83.04975	16.8
83.08612	25.5
85.06516	8.6
85.10207	1.7
89.75158	1.4
91.05480	35.4
93.06446	3.4
93.07039	68.7
94.07381	2.4
95.04959	24.5
95.08598	55.4
97.06517	18.6
97.10165	18.0
98.06068	2.4
99.08096	17.7
103.05438	1.7
105.04523	2.0
105.07018	30.0
107.04964	2.6
107.08585	36.9
109.06490	9.1
109.10157	26.4
111.08067	9.0
113.06042	1.6
113.09605	3.0
117.07006	8.4
118.20206	1.3
119.08577	26.3
121.06524	1.9
121.10130	24.0
123.08073	7.0
123.11661	8.3
125.09618	12.5
129.07014	5.4
131.08595	12.4
133.10114	18.8
135.08029	4.7
135.11693	20.6
137.09636	5.4
137.13261	3.3
139.07587	3.4
139.11166	14.8
141.09099	1.8
143.08597	4.1
145.10106	9.9
147.08040	4.1
147.11676	19.7
149.09605	4.6
149.13217	13.0
151.11177	15.6
153.09102	2.7
153.12743	3.2
157.10139	5.6
159.10287	1.9
159.11717	7.3
161.13277	14.3
163.11166	8.5
163.14819	4.4
165.12756	8.0
167.10739	1.7
167.14319	2.9
171.11729	4.7
173.11963	1.6
173.13281	6.6
175.11174	6.6
175.14784	8.7
177.12781	3.0
179.14337	6.5
181.12234	2.0
185.13264	5.5
189.11212	1.8
193.12207	4.4
193.15834	3.3
199.14822	2.9
203.12785	6.2
207.13820	3.4
208.43700	1.6
209.15431	1.8
217.19499	3.9
221.15375	5.8
231.21054	4.7
241.19490	10.4
249.22098	4.4
259.20624	15.3
277.21613	100.0
278.22049	5.9
291.19852	3.4
291.23108	7.9
295.22775	3.6
309.24332	45.2
309.29739	36.2
310.24237	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01872	2.4
56.96550	2.2
57.03437	8.1
57.07075	10.4
61.02917	4.2
67.05505	16.8
69.03425	8.5
69.07062	1.5
69.74732	3.3
70.06597	2.5
71.04635	1.6
71.04994	22.2
73.02914	2.3
76.44466	1.0
78.22416	1.2
81.03413	3.1
81.07023	1.2
84.04484	1.5
84.08123	2.4
85.02904	47.6
85.06546	13.4
87.04441	1.7
91.03938	2.9
91.05486	1.8
95.04964	22.7
97.02891	10.3
98.23353	2.5
99.04449	2.3
103.07578	44.9
109.02854	5.0
113.06001	82.2
114.06326	1.7
116.98592	1.6
120.08089	6.1
124.03910	2.0
127.03896	10.5
131.07036	100.0
132.07381	2.0
145.04961	17.7
148.79733	1.4
149.08078	6.8
162.03339	1.3
163.06009	4.5
166.08682	2.1
293.12231	1.8
310.17426	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2012
Annotation	(2R,3S,2'R)-nadolol
Peak:m/z	Relative Intensity
52.56361	0.3
53.03934	0.6
55.01872	0.6
55.05498	1.2
56.05033	1.8
58.02240	0.3
65.03918	0.5
67.05505	4.8
68.05017	0.7
69.03426	3.4
69.07050	1.7
70.06581	1.7
70.82132	0.4
73.56427	0.3
77.03960	0.6
78.52071	0.4
79.05038	0.7
79.05489	13.0
80.04999	2.3
80.05798	0.4
81.03410	0.4
81.05769	0.8
81.07052	5.8
82.06578	6.4
83.04970	0.5
83.08589	1.0
84.04489	1.8
85.02890	0.4
85.06518	0.7
86.06061	18.6
87.04463	10.0
89.05975	0.4
91.05470	4.5
93.07040	7.8
94.06568	4.7
95.04966	1.7
95.07340	1.0
95.08588	3.2
96.08113	1.4
98.06046	3.2
102.05466	0.3
105.04523	0.5
105.07030	4.4
107.04942	0.4
107.08588	2.2
108.08131	2.1
109.06535	0.8
109.10139	0.5
110.06096	0.4
114.05519	0.6
116.07098	0.5
117.06969	1.0
119.06033	0.5
119.08594	2.0
120.08101	0.8
120.27874	0.3
121.06532	0.7
121.10123	0.9
122.05985	0.5
122.09666	3.0
123.08052	0.5
124.07580	1.1
129.07007	1.3
131.08560	0.6
133.06387	0.3
133.10129	0.9
134.06007	0.5
136.07581	0.8
137.05907	0.6
145.10120	1.2
147.11679	2.0
147.63475	0.4
148.07545	0.9
149.13258	0.4
150.09128	6.6
161.09515	0.4
161.13234	1.2
162.09122	1.4
164.10632	0.6
168.10196	2.1
171.11707	1.6
176.10703	0.5
180.10315	0.4
182.91771	0.3
189.12804	2.6
206.15379	1.8
224.16405	1.7
235.07474	0.5
246.18571	0.7
248.08263	0.4
256.17059	0.5
258.86920	0.3
263.07065	1.3
264.19739	0.4
274.17969	4.7
278.09323	2.1
279.09943	0.4
292.19196	0.7
292.26297	1.0
293.11719	5.1
293.14819	0.6
310.20102	100.0
311.09244	0.4
311.12567	0.5
311.14954	0.8
311.20450	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01861	8.5
55.05507	34.4
56.05032	17.0
56.05833	1.9
57.03432	21.9
57.07057	5.8
58.06604	2.6
65.03932	3.8
67.05501	69.7
68.05834	5.4
69.03428	4.7
69.07063	67.9
71.04978	7.6
72.04501	2.4
72.10962	2.2
79.05486	62.3
80.05017	12.9
80.05801	3.3
81.03416	7.3
81.07051	100.0
82.06564	3.2
82.07377	5.0
83.04977	12.3
83.08617	17.9
85.06537	18.7
86.06853	6.3
89.69625	1.9
90.30412	2.0
91.05473	49.2
93.07037	46.8
94.06554	5.4
94.07410	3.4
95.04963	30.8
95.08598	58.2
96.05288	8.4
96.08159	2.0
96.87195	2.0
97.06526	16.2
97.10140	4.5
98.09689	28.8
98.22612	3.9
99.08106	2.4
105.04536	2.5
105.07021	54.5
106.07326	2.2
107.04951	7.4
107.08583	36.6
108.08105	3.6
108.08900	2.2
109.06507	23.5
109.10138	20.3
110.06843	6.7
110.48193	2.1
111.08069	6.7
113.05997	42.7
114.06335	21.1
117.07018	10.8
119.08582	32.5
121.06510	6.3
121.10136	20.9
123.08085	12.1
123.11706	11.4
128.06232	2.5
129.06955	7.1
131.08571	19.3
132.08946	2.2
133.10120	30.1
135.08058	15.1
135.11667	10.0
136.08362	8.8
137.09589	8.5
137.13222	2.3
139.11195	2.6
143.08585	2.6
145.10109	15.1
147.07970	2.6
147.11679	23.0
149.09605	11.5
149.13266	4.3
151.11186	3.5
155.08554	2.2
157.10101	8.7
159.11703	9.5
161.13242	5.1
163.11160	6.8
165.12752	2.8
171.11702	6.9
173.13258	6.1
176.14305	3.6
177.12712	7.0
179.14214	3.1
181.12276	2.6
183.11641	2.7
185.13263	2.8
187.11119	3.1
191.14259	2.1
192.19197	2.1
193.12259	2.6
194.15480	6.2
195.13797	5.3
198.14883	12.1
200.95474	1.9
204.13782	17.0
207.13789	3.3
209.11780	4.9
212.16457	17.6
212.19658	2.2
217.15862	2.8
218.16229	5.0
222.14871	22.1
223.13304	2.9
223.15245	2.3
233.28807	2.1
237.11235	3.9
237.14801	2.7
239.17978	3.9
247.20587	3.7
257.18970	4.5
265.21460	2.6
274.18817	6.4
275.20096	46.0
290.21066	2.9
292.19806	30.7
292.22708	60.6
293.20782	12.3
310.11475	2.7
310.23691	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2741
Annotation	Dicyclomine
Peak:m/z	Relative Intensity
53.24797	0.7
57.07064	1.7
58.06600	6.3
70.86912	0.8
71.08629	1.3
72.04505	0.9
81.75287	0.6
95.08597	1.1
98.23332	0.6
100.11253	100.0
101.11586	2.1
107.77203	0.7
208.14731	0.8
219.80948	0.6
282.27850	4.2
310.27386	5.4
310.30963	3.4
311.27554	0.7
311.40091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
51.02389	0.8
53.03945	2.5
54.89676	0.7
55.01862	2.7
56.96550	2.9
57.03435	4.2
57.07062	2.5
61.02924	1.1
62.54796	0.8
65.03923	0.9
67.05508	10.4
69.03426	16.4
69.07063	1.3
69.91119	1.8
70.06580	1.4
71.04985	2.9
73.02905	1.4
77.03920	1.7
79.05502	7.5
81.03017	1.1
81.03425	10.4
81.07030	1.1
83.04967	1.6
84.04523	0.9
84.08138	1.8
84.37838	0.7
85.02899	11.7
85.06548	3.2
91.05483	15.9
92.05819	0.9
93.03401	1.3
93.07041	16.4
95.04961	15.5
95.08595	1.0
96.05285	0.6
96.43391	0.8
97.02895	7.5
97.06539	0.9
98.06054	0.9
98.97567	3.6
99.04466	3.5
101.05921	0.8
103.05470	14.7
103.06933	1.3
103.07581	18.6
103.49989	0.8
105.03384	2.8
105.04518	3.2
105.06998	3.6
107.04952	7.9
109.02892	2.3
109.06509	1.6
111.04430	1.7
113.06004	4.8
115.07571	2.1
116.98613	1.0
117.07044	1.2
119.01892	1.3
119.04945	3.4
121.05627	1.0
121.06503	21.1
123.04424	13.6
123.08115	0.8
127.03905	8.1
129.05508	1.2
129.07001	1.2
131.04926	100.0
132.05275	3.0
133.06458	1.2
136.07573	1.2
137.06003	1.9
145.04979	2.3
145.06517	0.9
146.08023	0.8
147.04370	2.1
149.05983	29.7
149.08017	2.0
150.06413	1.1
150.07751	2.4
152.06845	1.1
156.03322	2.5
157.06464	1.2
158.06622	0.9
159.07988	0.8
161.06020	1.6
163.04027	1.0
167.07034	9.4
174.04382	2.8
175.04765	0.9
175.07567	1.1
182.08069	0.8
186.04411	1.7
187.04671	0.8
204.05414	0.9
213.12439	0.8
219.02071	1.0
223.04341	1.0
224.35051	0.8
234.99757	1.6
239.09160	0.8
251.03819	2.1
260.12476	0.8
265.02707	1.3
270.06802	1.2
283.61310	0.7
288.92325	0.8
293.10229	1.7
300.07721	1.0
311.04626	2.4
311.11240	7.1
312.07773	8.5
329.05722	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03933	1.6
55.01870	7.8
55.05255	1.7
55.05509	21.2
55.82903	0.9
55.89302	1.0
57.03436	10.4
57.07048	1.6
58.20012	1.0
63.42557	1.0
65.03930	1.3
67.05501	43.0
69.03423	3.8
69.07065	19.4
71.04988	5.5
77.03904	1.8
79.05487	32.0
81.03408	2.3
81.07052	48.3
83.04964	5.1
83.08614	12.5
85.02912	1.1
85.06543	5.7
87.04478	1.3
91.05476	37.3
93.07040	36.5
95.04950	4.9
95.08598	33.9
97.06515	7.4
97.10168	8.7
98.22708	2.2
99.04430	2.3
99.08091	42.3
101.06003	1.8
105.04535	1.2
105.07022	38.0
106.07307	1.2
107.04921	2.8
107.08587	38.2
108.08884	1.1
109.06522	6.0
109.10149	34.7
110.05951	1.2
111.08106	7.4
115.24050	1.0
117.07003	12.3
119.08575	36.8
120.08928	2.0
121.06494	2.3
121.10138	22.1
123.08044	6.7
123.11690	8.0
125.09637	11.2
127.07544	3.1
128.06227	1.2
129.06966	3.5
131.08559	12.7
133.10121	52.0
134.10432	1.4
135.08086	5.3
135.11671	9.9
137.05960	2.1
137.09584	7.2
139.11180	2.9
141.06931	1.6
143.08545	3.3
145.10115	20.1
147.11678	18.4
149.09618	14.2
149.13232	2.1
151.04010	1.0
151.11163	22.6
153.09090	3.2
157.10147	5.4
159.11679	11.4
161.09668	1.7
161.13263	6.3
163.11192	16.6
165.12743	1.8
167.10750	1.4
169.10168	2.7
169.12216	4.4
171.11697	6.3
173.13225	4.8
175.11226	1.9
175.14922	1.2
177.12698	2.2
179.10669	1.1
181.12303	1.3
183.11707	3.1
187.11206	1.2
189.11188	6.8
189.12717	1.8
189.16415	1.5
193.12181	1.1
197.13234	1.6
199.14957	1.2
201.12683	1.1
203.17992	2.5
213.05515	1.1
213.16324	10.0
214.16644	1.2
215.12772	2.5
229.19580	1.5
231.17404	11.8
233.19151	1.2
235.16931	6.6
239.17943	5.9
249.18488	40.9
250.18816	2.1
257.18915	7.6
263.20139	2.4
267.13501	1.1
267.19565	1.7
275.20047	100.0
276.20493	6.2
281.21033	2.1
293.21075	9.8
294.21396	1.5
302.48895	1.2
307.50998	1.2
311.08936	1.4
311.12628	2.9
311.22095	45.7
312.12402	1.4
312.18301	1.7
312.22330	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.60611	2.1
53.03954	3.1
55.01874	30.7
55.05259	2.7
55.05514	46.7
57.03433	5.3
58.10523	2.0
59.04988	2.8
65.03943	3.2
66.09642	1.9
67.05505	44.2
69.03423	5.2
69.07075	23.6
69.68758	3.9
69.69120	4.6
70.39125	2.5
71.04996	14.5
79.05497	60.4
81.03409	5.8
81.07056	83.7
83.04984	42.5
83.08619	33.4
85.06533	5.9
87.04459	3.1
87.53846	2.1
91.05481	27.8
93.07047	44.8
95.04986	14.5
95.08604	33.8
97.06533	45.6
97.10175	37.5
98.23344	2.4
99.08104	4.3
105.07021	25.7
107.04951	4.0
107.08601	100.0
108.08915	3.6
109.06524	9.6
109.10173	13.5
109.45783	2.1
111.04467	6.9
111.08079	8.6
113.06021	14.1
117.07015	11.1
119.08569	13.6
120.08947	2.5
121.06539	4.5
121.10159	11.9
123.07993	2.7
123.11729	3.6
125.06023	9.4
125.09632	83.9
126.10001	2.1
128.80501	2.1
131.08543	15.1
133.10136	13.7
133.75185	2.4
135.08063	8.9
135.11691	13.8
139.07503	3.5
139.11183	10.7
143.08556	2.6
145.10158	10.8
147.08078	3.1
147.11702	8.6
149.09612	10.0
149.13239	3.8
151.11234	2.8
153.12779	14.9
159.11729	10.0
161.13286	3.2
163.11169	18.8
165.12733	2.5
167.10660	6.5
169.10190	4.6
171.10216	5.0
171.11728	3.5
173.11678	2.4
177.12770	7.7
181.12183	9.9
187.11246	5.3
189.11224	36.6
189.12840	3.9
195.13776	5.0
205.12253	5.2
211.13293	4.9
212.07112	2.2
213.14894	4.7
213.28523	2.1
223.13306	19.7
229.19504	4.9
239.18039	4.0
241.14313	4.6
251.16434	3.7
257.18958	7.3
261.45883	2.0
275.20074	84.5
276.20404	4.5
293.21109	74.2
311.16190	4.7
311.21985	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03934	3.5
55.01870	15.7
55.05258	3.1
55.05510	48.8
57.03425	7.4
57.07068	3.7
62.20472	2.2
65.82170	1.8
67.05158	4.6
67.05502	62.9
69.03425	4.1
69.07065	31.8
69.21721	14.2
71.04974	6.9
71.08617	9.4
79.05492	39.7
81.03416	11.4
81.07059	90.3
83.04980	15.5
83.08611	31.5
85.06545	6.3
90.50972	2.4
91.05481	31.1
93.07045	38.8
95.04967	29.1
95.08602	39.6
97.06528	18.8
97.10154	21.0
99.08098	15.6
105.07021	23.9
107.04951	7.8
107.08598	27.7
109.06524	20.9
109.10170	18.6
111.04430	7.9
111.08092	15.8
115.05424	2.2
117.06996	12.9
119.08569	27.4
121.06482	7.5
121.10126	17.3
123.08081	16.6
123.11722	5.9
125.09640	22.6
129.06976	5.1
131.08562	21.0
133.10110	26.7
135.08022	6.9
135.11710	13.5
137.09602	7.0
145.10159	19.3
147.08192	2.2
147.11670	23.8
149.09647	17.3
149.13248	8.1
150.28442	2.1
151.11163	7.4
153.09108	7.2
153.12689	4.2
157.10118	6.6
159.11678	20.9
161.13193	5.0
163.11163	29.6
165.12746	7.5
167.10802	2.9
171.10223	3.0
171.11690	4.9
173.13258	4.5
175.11179	8.2
177.12747	10.0
179.10632	3.0
183.11565	2.7
187.11115	4.3
189.11255	10.6
193.12271	8.4
195.13783	11.3
197.13124	2.1
205.12161	2.5
205.15875	3.1
207.13789	2.5
211.13188	6.6
223.13257	7.9
229.19524	4.0
239.17894	6.8
247.20537	3.7
249.22063	2.7
257.19116	13.4
275.20038	61.1
276.20483	6.8
293.21072	100.0
294.21368	7.4
311.22034	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	3.7
55.01871	4.2
55.05280	3.2
55.05516	24.8
57.03446	2.3
57.13884	2.2
62.14368	2.4
62.83585	1.9
67.05155	4.4
67.05502	61.3
69.03416	2.7
69.07059	24.3
69.48704	10.0
69.49048	3.5
71.05003	4.5
73.01517	2.2
76.12283	2.1
79.05494	35.2
81.03428	3.4
81.07054	66.5
83.04977	5.8
83.08617	13.7
86.50545	2.1
91.05472	39.9
93.07041	39.3
95.04976	7.7
95.08604	40.0
97.06523	7.3
97.10155	8.7
98.37363	2.4
99.08116	2.9
105.07031	43.2
107.04940	5.1
107.08588	31.3
109.06534	11.3
109.10159	26.4
111.08056	5.9
117.06992	13.3
119.08566	31.6
121.06525	2.7
121.10143	19.9
123.08045	6.4
123.11733	7.2
125.09649	6.7
129.06998	4.8
131.08585	19.1
133.10129	38.3
135.08040	6.3
135.11685	7.5
137.09625	6.9
141.06993	3.1
143.08621	2.9
145.10144	17.0
147.11674	14.6
149.09624	9.6
149.13257	9.2
151.11142	2.9
155.08548	2.2
155.10698	4.0
157.10136	3.9
159.11687	16.7
161.13213	5.2
163.11188	9.1
169.10031	2.8
173.11763	9.7
173.13309	6.2
175.11156	4.3
177.12735	3.3
180.15958	2.1
183.11606	2.8
189.11172	4.6
191.14433	2.4
195.13814	9.7
197.13231	3.2
201.16246	2.2
211.14912	2.4
229.19452	3.8
235.16928	4.8
239.17981	7.7
247.20525	7.7
247.77528	2.6
257.19028	12.1
275.17020	4.9
275.20059	100.0
276.20413	7.1
281.74005	2.6
293.21030	16.4
311.22083	2.3
322.02206	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.01872	69.3
55.05508	55.7
57.03429	6.3
57.07068	14.5
65.03945	3.3
67.05502	82.4
69.03425	5.2
69.07061	32.5
69.71356	5.1
69.71708	5.1
70.62391	2.3
71.04984	7.5
71.08633	16.4
79.05483	36.8
81.03421	25.0
81.07052	63.0
83.04987	15.3
83.08616	23.1
85.06543	8.3
91.05476	31.2
93.07038	41.3
95.04959	23.9
95.08604	100.0
97.02917	3.2
97.06525	13.3
97.10165	13.3
98.22752	5.6
99.04486	3.2
99.08080	14.7
105.07018	16.7
107.04961	17.2
107.08588	19.9
109.06500	10.3
109.10144	28.6
111.04441	8.3
111.08068	7.7
112.04688	2.7
113.06042	3.0
117.07014	7.6
119.08569	24.4
121.06490	8.6
121.10114	15.1
123.08063	11.2
123.11714	6.2
125.09627	86.3
131.08543	12.1
133.10129	7.9
135.08018	11.7
135.11670	9.1
137.09593	15.1
138.06294	5.5
139.11160	5.2
141.09094	10.3
145.10103	7.9
147.11687	6.4
149.09602	4.6
149.13292	5.3
151.11165	30.1
153.09076	2.7
153.12712	6.1
157.10085	3.6
159.10167	23.5
159.11685	11.4
161.09581	8.2
163.11206	7.1
165.12790	8.8
167.10706	15.4
173.09590	6.0
173.13173	2.8
177.12744	24.5
179.14291	3.6
180.89426	2.4
181.12245	10.3
187.11070	3.4
187.14845	3.3
191.10719	4.7
191.14337	7.8
193.12244	4.8
195.13766	11.0
209.11725	25.3
217.19502	3.0
229.19554	3.9
237.11171	20.3
247.20587	5.5
255.12346	3.4
257.19003	7.9
262.07654	2.9
265.21613	46.2
275.20035	38.3
276.20306	4.0
279.18680	3.6
281.27234	2.9
293.17816	3.5
293.21060	48.5
311.22034	9.2
312.23291	3.9
330.67517	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03943	8.5
55.01872	69.3
55.05508	55.7
57.03429	6.3
57.07068	14.5
65.03945	3.3
67.05502	82.4
69.03425	5.2
69.07061	32.5
69.71356	5.1
69.71708	5.1
70.62391	2.3
71.04984	7.5
71.08633	16.4
79.05483	36.8
81.03421	25.0
81.07052	63.0
83.04987	15.3
83.08616	23.1
85.06543	8.3
91.05476	31.2
93.07038	41.3
95.04959	23.9
95.08604	100.0
97.02917	3.2
97.06525	13.3
97.10165	13.3
98.22752	5.6
99.04486	3.2
99.08080	14.7
105.07018	16.7
107.04961	17.2
107.08588	19.9
109.06500	10.3
109.10144	28.6
111.04441	8.3
111.08068	7.7
112.04688	2.7
113.06042	3.0
117.07014	7.6
119.08569	24.4
121.06490	8.6
121.10114	15.1
123.08063	11.2
123.11714	6.2
125.09627	86.3
131.08543	12.1
133.10129	7.9
135.08018	11.7
135.11670	9.1
137.09593	15.1
138.06294	5.5
139.11160	5.2
141.09094	10.3
145.10103	7.9
147.11687	6.4
149.09602	4.6
149.13292	5.3
151.11165	30.1
153.09076	2.7
153.12712	6.1
157.10085	3.6
159.10167	23.5
159.11685	11.4
161.09581	8.2
163.11206	7.1
165.12790	8.8
167.10706	15.4
173.09590	6.0
173.13173	2.8
177.12744	24.5
179.14291	3.6
180.89426	2.4
181.12245	10.3
187.11070	3.4
187.14845	3.3
191.10719	4.7
191.14337	7.8
193.12244	4.8
195.13766	11.0
209.11725	25.3
217.19502	3.0
229.19554	3.9
237.11171	20.3
247.20587	5.5
255.12346	3.4
257.19003	7.9
262.07654	2.9
265.21613	46.2
275.20035	38.3
276.20306	4.0
279.18680	3.6
281.27234	2.9
293.17816	3.5
293.21060	48.5
311.22034	9.2
312.23291	3.9
330.67517	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03941	10.3
53.81568	2.7
55.01883	17.2
55.05521	17.9
55.09626	2.6
57.03462	3.1
57.07077	11.7
67.05509	46.3
69.03439	9.3
69.07080	17.4
70.73275	4.1
71.04989	5.1
71.08637	4.7
79.05502	40.0
81.03419	22.0
81.07060	100.0
82.07426	3.4
83.04983	12.6
83.08624	11.2
85.02918	8.2
91.05489	24.7
91.07900	2.6
93.07050	26.3
95.04966	29.7
95.08627	28.5
97.06533	16.1
97.10163	5.9
97.93662	2.1
98.22898	4.5
99.08092	6.0
105.07040	30.3
107.04972	17.6
107.08604	26.4
109.06525	48.6
109.10146	16.4
109.67877	2.4
111.04442	22.6
111.08067	4.9
117.07028	11.0
119.08578	18.6
121.06507	5.5
121.10147	11.6
123.08064	13.4
123.11720	3.9
125.09641	10.5
131.08591	9.8
133.06537	2.7
133.10130	27.5
135.08086	5.1
135.11691	11.7
137.09641	4.4
141.06996	3.0
145.06561	2.8
145.10144	5.0
147.11711	9.2
149.09634	9.5
149.13248	4.4
149.47789	3.1
151.11197	9.3
153.05479	6.3
155.10663	3.8
159.11725	11.3
161.13263	5.2
163.11230	12.1
167.10425	2.7
169.10217	3.0
173.13347	3.6
177.12787	7.8
179.14287	12.0
181.12343	5.1
185.13371	4.9
187.11215	5.9
191.10687	3.8
195.13861	7.5
197.40929	2.6
209.11746	41.4
221.15401	14.0
223.13213	17.0
237.11249	38.3
241.14384	8.5
255.12286	11.6
257.19046	5.9
265.86423	3.1
275.20065	53.9
276.20428	6.5
293.17752	3.4
293.20993	56.0
294.21548	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01869	12.8
55.05509	36.2
57.03437	12.7
57.07066	17.7
63.02639	3.6
67.05508	66.2
69.03429	7.4
69.07064	37.6
70.07408	5.1
71.04993	12.5
79.05493	43.0
81.07054	100.0
82.07398	4.6
83.04983	13.9
83.08609	21.5
85.06551	6.8
91.05475	37.7
93.07047	50.2
95.04949	22.2
95.08598	55.0
97.06528	17.4
97.10174	7.1
98.09703	4.3
105.07028	38.1
106.42772	3.9
107.04951	6.9
107.08582	42.5
109.06539	19.8
109.10163	26.4
109.57424	3.5
111.04440	10.9
111.08096	12.8
117.07032	12.0
119.08545	37.1
120.08882	4.1
121.06534	5.4
121.10139	32.5
123.08074	12.9
123.11695	7.6
125.06043	4.9
125.09651	12.4
129.07021	6.3
131.08543	17.6
133.10121	33.8
134.10490	4.9
135.08076	4.0
135.11684	12.3
137.09621	11.1
139.11208	7.8
143.08563	8.2
145.10130	14.4
147.11673	19.3
149.09645	17.0
149.13275	6.3
151.11140	9.5
153.05476	8.1
157.10223	5.1
159.11691	11.8
159.96730	4.2
161.13297	9.3
163.11159	12.1
165.12834	3.9
170.51439	3.8
173.13261	8.3
181.12315	6.1
183.37770	3.9
185.13226	9.7
195.18454	3.8
197.13350	4.9
201.12643	6.4
203.14413	3.8
205.14218	5.1
209.11713	51.4
223.13286	7.0
235.16962	6.3
237.11147	32.5
239.17867	5.3
255.12247	10.2
257.19025	10.6
263.20239	4.4
264.75003	3.9
265.21423	5.1
275.20071	75.5
276.20450	8.0
293.17712	6.9
293.21072	22.7
294.21518	5.7
311.21811	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.77918	2.8
52.55171	2.2
53.24452	2.1
55.01659	2.5
55.01875	31.5
55.05510	45.8
57.03427	4.6
57.07063	5.1
65.03928	4.0
67.05501	48.5
69.03412	8.0
69.07066	22.6
69.78482	3.9
71.04983	13.5
74.91454	2.6
79.05486	58.1
81.03416	5.4
81.07053	88.0
83.04987	30.7
83.08608	34.3
85.06512	3.1
89.55239	2.7
91.05470	29.8
93.07037	34.5
95.04961	16.2
95.08596	36.2
97.06526	40.6
97.10159	38.2
98.23411	4.7
99.08073	4.1
105.07030	29.6
106.42606	2.6
107.04934	5.2
107.08589	100.0
109.06512	11.5
109.10140	14.9
111.04427	8.1
111.08080	9.8
113.06023	13.1
117.07020	9.1
119.08572	18.6
121.06458	3.4
121.10125	10.1
123.08061	8.0
123.11658	5.1
125.05972	7.3
125.08707	4.3
125.09624	79.3
131.08571	14.6
133.10124	15.3
135.08057	7.2
135.11719	12.3
137.09563	4.1
139.11191	8.2
143.08473	3.1
145.06377	2.8
145.10123	11.0
147.11691	9.7
149.09615	11.9
149.13293	3.8
151.11090	3.2
153.12717	15.5
159.11678	11.1
161.13208	3.9
163.11183	12.5
165.12650	3.2
167.10616	5.0
169.10126	3.6
171.10158	5.7
171.11757	3.7
173.13335	3.8
177.12753	8.6
181.12195	8.1
187.11226	2.8
189.11214	35.5
193.12326	2.8
195.13907	4.3
205.12253	6.0
209.11760	4.7
211.13286	4.1
213.14821	7.3
223.13300	20.3
227.12881	2.6
237.11197	4.0
239.17851	4.2
241.14310	4.2
247.20575	3.6
251.16354	3.8
257.18985	7.9
275.20078	81.9
276.20377	6.1
293.21066	68.7
311.22101	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03947	1.8
55.01875	84.1
55.05259	3.3
55.05513	45.3
57.03429	5.3
57.07072	12.1
57.86743	1.6
62.53979	1.7
65.03968	1.9
67.05506	42.7
69.03416	3.7
69.07070	17.4
69.57355	1.8
69.61207	6.6
71.04990	5.2
71.08614	5.0
79.05499	22.4
79.88548	1.8
81.03412	9.0
81.07059	39.5
82.07368	2.3
83.04967	7.6
83.08620	9.5
85.06532	3.0
91.05489	18.6
93.07051	25.1
95.04957	15.4
95.08607	30.1
97.06541	4.0
97.10178	10.3
98.22701	2.8
98.23299	5.5
99.08112	4.2
105.07035	12.5
107.04969	16.4
107.08591	14.7
109.06512	6.9
109.10168	15.3
111.04431	3.6
111.08083	2.5
117.07015	6.6
119.08572	14.1
121.06495	7.8
121.10148	8.8
123.08070	7.3
123.11710	2.9
125.09635	100.0
126.09963	5.3
129.68292	1.8
131.08569	8.7
131.75328	1.9
133.10133	7.2
135.08052	13.1
135.11696	3.6
137.09622	16.1
139.07526	2.0
139.11162	2.3
140.30519	1.8
145.10123	5.4
147.11653	4.4
149.09622	5.4
149.13148	1.9
151.11188	25.0
155.10675	2.0
155.46198	2.0
157.10187	2.3
159.11702	6.5
161.09616	2.6
163.11218	6.2
167.10725	5.2
169.12128	1.8
173.09694	2.7
173.13271	2.5
177.12775	17.5
179.14380	1.8
181.12236	6.8
187.11165	2.7
191.14326	7.6
195.13823	6.0
209.11691	4.1
229.19545	4.8
237.10938	2.0
239.17885	2.7
247.20586	7.2
257.19080	14.8
265.21680	2.1
268.02615	1.7
275.11719	1.6
275.20081	32.2
276.20096	2.0
293.21094	32.6
294.21405	2.3
311.17551	8.8
311.21976	3.6
312.32568	4.6
331.80722	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03947	3.2
54.44635	1.1
55.01878	19.5
55.05513	59.8
56.27156	1.0
57.03434	4.3
57.07086	6.4
59.04993	3.6
65.03938	2.4
67.05504	46.3
67.05863	2.3
69.03436	5.0
69.07068	24.5
71.04995	7.4
79.05495	40.0
80.60559	1.1
81.03410	9.4
81.06565	1.4
81.07056	40.1
83.04984	30.6
83.08623	43.4
85.02912	7.4
85.06546	4.3
91.05481	20.1
93.07044	38.3
95.04970	93.6
95.08608	19.8
96.05325	1.5
97.06524	8.8
97.10173	26.8
98.23495	2.7
99.04449	8.7
99.08117	1.5
101.02399	1.4
105.07026	27.3
107.04951	10.7
107.08595	47.4
108.08965	1.3
109.06518	13.8
109.10167	12.2
111.04443	41.9
111.08080	13.9
117.07020	8.5
119.06105	1.2
119.08580	20.0
121.06509	7.0
121.10149	24.4
123.08043	5.7
123.11701	2.0
125.06015	2.8
125.09634	30.3
125.10503	2.3
129.06998	2.9
131.08546	16.5
133.10133	14.0
135.04434	1.9
135.08051	6.8
135.11685	12.0
137.05983	2.1
137.09602	3.4
139.11189	4.0
143.08563	2.8
143.10670	1.4
145.06555	1.7
145.10120	27.0
147.08054	6.4
147.11726	9.0
149.09615	42.5
149.10828	2.3
150.09984	1.3
151.11118	1.5
153.05507	1.9
153.09113	4.1
153.12785	8.9
155.08563	1.8
157.10117	1.7
159.11682	8.1
161.09659	1.9
161.13300	2.8
163.11180	40.5
164.11557	1.8
165.12740	2.3
167.10680	1.5
169.10072	1.3
171.10222	2.5
171.11656	1.6
173.09618	4.5
173.11789	1.7
173.13251	3.0
175.11142	1.8
177.12776	2.8
181.12221	13.2
183.11736	1.6
187.11194	4.5
189.11220	32.0
191.10664	7.2
193.12271	1.7
197.13286	1.9
205.12219	6.3
209.11717	12.6
211.13309	3.2
223.13281	95.4
224.13605	2.6
227.12823	4.5
229.19626	2.2
237.11261	8.5
237.14851	2.8
239.17917	2.4
247.20581	2.3
255.12259	2.3
257.19000	10.3
275.20065	95.5
276.20401	5.4
293.21100	100.0
294.21500	5.4
311.16107	2.6
311.22034	16.5
312.22562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	3.1
55.01870	10.1
55.05256	2.6
55.05509	32.9
57.03426	5.2
57.07071	9.8
63.72077	1.6
65.03928	2.2
67.05499	64.2
69.03432	3.0
69.07066	24.1
69.86501	2.9
69.86872	2.7
71.04992	7.4
71.08609	3.3
75.66695	1.5
79.05485	31.4
80.29848	1.5
80.98514	1.3
81.03411	6.3
81.07050	60.6
83.04976	13.6
83.08614	21.5
85.02889	1.5
85.06533	7.0
85.10158	2.8
91.05476	28.1
93.07037	31.9
95.04963	20.9
95.08600	45.9
97.02901	3.6
97.06526	7.4
97.10149	10.3
97.89838	1.4
99.04451	4.7
99.08080	3.9
105.07020	21.8
107.04940	9.6
107.08587	27.0
108.08996	1.6
109.06494	6.3
109.10148	38.1
111.04437	17.7
111.08051	4.3
111.11662	1.7
113.09642	4.5
117.07030	5.6
119.08568	13.3
121.06503	6.1
121.10149	19.2
122.41225	1.3
123.08062	5.8
123.11671	8.6
125.05962	2.4
125.09628	7.0
127.59387	1.4
129.07042	1.6
131.08562	11.0
133.10126	27.9
135.08037	4.5
135.11678	14.2
137.09589	7.0
137.13203	2.2
138.91206	1.4
139.11180	3.2
141.09055	1.4
145.10144	11.9
147.07994	2.2
147.11676	9.5
149.09621	14.0
149.13240	4.8
151.11169	13.6
153.09044	1.3
153.12698	6.6
156.56816	1.5
157.10101	2.2
159.11656	7.6
161.09613	2.3
161.13248	4.8
163.11168	10.5
163.14787	3.5
165.09093	2.8
165.12750	4.3
167.10680	3.1
168.25861	1.4
169.10255	2.0
169.12270	5.6
171.11667	2.2
173.09560	1.8
173.13239	4.2
177.12755	3.7
179.10736	1.9
181.12271	3.2
183.10225	1.8
183.11737	2.1
187.11226	2.1
189.11192	2.1
191.10722	1.7
191.14316	2.5
193.12260	1.5
205.12177	3.9
209.11772	2.5
212.72185	1.5
223.13266	9.7
223.20590	1.7
225.14841	2.1
229.19524	4.1
247.20573	14.8
257.18982	4.9
264.47076	1.4
265.21564	10.9
275.20047	52.3
276.20438	2.4
279.23181	2.0
293.21069	100.0
294.21545	7.4
311.22119	5.8
311.25391	1.6
316.29874	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.9
57.07082	15.3
67.05508	35.9
69.07071	50.1
69.11008	43.4
69.11423	17.5
79.05489	21.3
79.71574	6.8
81.07053	42.7
83.08607	14.8
91.05483	34.9
93.07056	75.7
95.04968	91.7
95.08602	100.0
97.06539	24.1
105.07040	59.2
107.08582	54.4
109.10168	40.5
112.84240	9.0
117.06976	16.6
119.08584	75.4
121.06542	20.1
121.10110	49.7
123.08080	20.5
123.11716	13.3
124.01914	7.6
131.08582	21.7
131.31105	7.9
131.67722	7.3
133.10139	37.6
135.08043	14.8
143.08479	12.4
144.13901	12.9
145.10040	40.2
147.11649	29.7
157.10127	35.6
159.11665	40.1
161.13309	10.3
169.10112	11.0
171.11687	16.0
172.62622	8.2
173.13297	12.6
177.16420	25.3
187.11134	9.0
187.14709	11.2
189.16417	16.4
201.16402	16.1
209.11658	12.6
237.11180	16.9
311.23703	47.6
312.32593	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.7
57.03427	5.1
57.07073	9.5
59.14379	3.7
67.05505	40.1
68.26101	3.5
69.07063	60.0
71.04987	5.7
71.38129	3.3
79.05492	30.5
81.03400	4.9
81.07050	54.4
83.08610	18.6
86.08922	4.1
90.10758	3.6
91.05488	37.8
93.07041	98.2
94.40875	4.1
95.04963	100.0
95.08600	95.0
97.06528	33.9
97.10171	5.0
105.07018	71.3
107.08583	60.9
109.06525	20.2
109.10156	48.1
117.06950	18.0
119.08578	83.8
121.06507	21.5
121.10135	61.0
123.08027	24.0
123.11706	25.7
129.07074	4.8
130.07793	7.0
131.08568	20.5
133.10121	44.1
135.04387	4.1
135.08040	15.6
135.11682	18.5
137.09642	7.8
137.13232	6.9
142.07819	6.0
143.08553	15.9
145.10120	52.0
147.11668	24.5
149.09702	4.4
149.13300	5.6
155.08549	4.5
157.10094	32.7
159.08005	4.8
159.11685	62.3
161.09569	12.5
161.13242	15.9
163.11234	5.7
169.10126	12.8
171.11703	20.9
173.09648	3.7
173.13287	13.2
175.14853	13.4
177.16373	41.4
181.10098	4.2
183.11685	8.7
185.13254	12.5
187.11147	7.6
187.14781	9.4
189.16333	22.7
191.17952	3.9
197.13187	13.7
199.14854	9.0
201.16344	18.7
209.11549	5.6
209.13345	5.1
211.14738	9.6
213.16418	4.4
215.17982	10.0
219.17316	4.7
223.14732	6.8
225.16406	3.8
237.11179	8.8
237.16270	4.3
255.21060	9.0
293.22650	6.9
311.23611	44.2
312.15573	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03937	0.7
54.79700	0.2
55.01872	2.9
55.05508	28.3
56.05835	0.4
56.42905	0.2
57.03434	8.7
57.07072	11.9
59.04995	0.3
61.07998	0.2
65.03930	0.3
67.05501	7.1
68.35028	0.2
69.07064	33.3
69.31243	0.7
70.07397	0.6
71.04986	0.5
71.08626	6.1
71.44308	0.2
73.02916	2.3
73.06541	0.2
75.04482	0.3
79.05488	3.5
81.07054	8.3
82.23810	0.2
83.04980	0.9
83.08614	25.5
84.08958	0.6
85.06532	0.3
85.10175	2.5
91.05468	0.6
93.07040	4.9
95.08601	6.9
97.06532	2.1
97.10163	15.4
97.30205	0.2
98.10511	0.4
99.08060	0.3
101.05936	0.2
105.07014	0.5
107.08588	3.0
109.10155	2.6
111.04398	0.2
111.08069	1.1
111.11712	3.9
113.09648	0.3
119.08569	0.2
121.10135	4.6
123.11695	1.3
125.05975	0.3
125.09635	0.9
125.13256	0.8
129.05418	1.1
135.04407	0.7
135.11687	3.2
137.13246	0.7
139.11162	0.6
149.13255	1.2
153.05386	0.2
153.12814	0.3
161.09642	0.3
163.14803	0.7
167.14229	0.2
177.12802	0.3
177.16425	0.3
209.11699	1.1
219.21078	0.7
237.11234	1.2
237.22147	0.9
255.12065	0.2
255.23270	0.4
275.87253	0.2
311.25769	100.0
312.26141	5.6
312.32315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73825	0.3
53.03936	1.0
54.46424	0.3
55.01874	2.3
55.05515	34.7
56.05851	0.6
57.03440	12.4
57.07080	14.2
58.07410	0.3
59.04996	0.3
67.05508	8.3
68.12209	0.3
69.07072	38.9
69.75940	0.5
70.07384	0.6
71.04995	0.6
71.08276	0.5
71.08637	8.4
73.02924	1.5
73.06578	0.5
75.04528	0.3
79.05495	4.3
79.23848	0.3
81.07061	9.1
82.07415	0.5
83.04967	1.2
83.08624	31.2
85.06536	0.6
85.10194	3.7
91.05481	0.7
93.07053	5.6
95.04959	1.0
95.08614	7.4
96.08914	0.3
97.06532	2.8
97.10173	21.1
98.10490	0.5
98.22771	0.6
98.23330	0.4
99.08100	0.5
105.07031	0.6
107.08588	3.7
109.06571	0.4
109.10146	2.6
111.04432	0.3
111.08066	2.0
111.10979	0.4
111.11725	5.7
121.10156	4.8
123.11727	1.7
125.09647	1.4
125.13276	1.0
129.05496	0.7
135.04440	0.9
135.11699	3.9
137.06081	0.4
137.13264	0.9
138.06335	0.6
139.11189	1.0
139.14821	0.3
149.13306	1.8
151.14925	0.4
153.05460	0.4
161.09633	0.6
163.11110	0.4
163.14825	0.7
177.16379	0.3
181.05013	0.3
209.11732	2.1
219.21130	0.8
237.11211	1.6
237.22171	1.1
255.12328	0.4
263.88434	0.3
277.21780	0.4
279.18549	0.9
293.21198	0.7
311.25803	100.0
312.15512	0.4
312.26151	5.4
312.32327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03954	1.2
55.01875	2.2
55.05511	30.7
56.05849	0.3
57.02229	0.2
57.03438	9.4
57.07077	11.8
58.99183	0.2
59.04999	0.3
65.03954	0.3
67.05505	10.0
69.07068	33.8
69.41997	1.2
71.04984	0.8
71.08225	0.3
71.08627	5.8
73.02904	2.1
73.06543	0.4
75.04480	0.3
75.06482	0.2
79.05493	5.8
79.74525	0.2
81.07056	12.1
83.04987	1.0
83.08620	24.6
84.08973	0.4
85.06550	0.7
85.10187	2.6
91.05496	0.8
93.07047	6.7
94.07363	0.3
95.04989	0.6
95.08604	9.9
95.09212	0.5
97.06536	2.9
97.10168	14.4
98.10514	0.5
99.08088	0.6
102.09142	0.3
105.07065	0.6
107.08591	4.3
109.10161	3.2
111.08091	1.7
111.11720	3.5
113.09667	0.4
119.08614	0.6
121.10146	6.0
123.11717	1.5
125.09618	0.8
125.13264	0.8
129.05505	0.6
135.04422	0.6
135.11697	4.6
137.13249	0.9
139.11180	0.8
145.10164	0.5
149.13245	2.0
153.12744	0.5
158.03474	0.2
163.11179	0.9
163.14832	0.8
177.16441	0.3
179.64984	0.2
181.12300	0.3
208.62932	0.3
209.11743	0.8
219.21106	1.0
227.12767	2.4
237.11224	0.6
237.22122	1.1
279.23428	0.3
311.25784	100.0
312.26123	5.6
312.29617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42617	0.7
53.03952	1.5
55.01873	1.7
55.05528	0.8
57.03434	5.0
58.02803	0.6
61.02928	10.4
63.43677	0.7
65.63741	0.9
69.03426	15.8
69.07063	12.8
69.49207	2.8
71.04985	2.4
73.02907	4.9
81.03429	6.1
85.02902	100.0
86.03217	1.1
87.04482	2.9
87.08111	13.4
91.03963	6.8
91.05479	1.1
97.02889	24.3
98.97603	0.8
99.04453	4.3
105.09111	1.6
109.02869	6.4
110.07182	1.6
115.03923	1.1
115.07554	1.7
116.29389	0.8
127.03921	25.7
133.08621	5.5
145.04956	51.5
151.03923	1.0
151.09695	0.8
163.06017	16.0
163.07310	1.2
180.08766	1.4
236.58051	0.7
239.11810	0.8
312.18289	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93991	2.4
53.74788	2.6
67.82605	2.4
69.65387	10.2
70.06625	3.5
74.09721	4.2
81.75998	2.4
88.18275	2.9
94.93018	4.6
98.23396	4.0
109.19531	2.7
112.88911	2.7
112.89588	13.1
114.89334	22.5
116.89153	8.7
123.25459	3.3
126.72416	3.2
130.06291	4.7
138.05499	6.4
140.06871	4.9
156.04218	100.0
157.04648	12.6
158.04031	8.0
176.01164	3.0
209.05586	2.9
226.98817	13.8
271.02551	4.8
272.02097	3.1
313.03204	84.2
313.14157	2.6
314.03235	5.6
314.06406	42.4
320.21078	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	5252-40-4
Peak:m/z	Relative Intensity
54.39614	0.3
55.05499	0.6
55.24288	0.3
56.96561	0.3
65.48969	0.3
67.05502	1.0
69.03433	0.4
69.07069	0.8
69.88947	1.2
70.58292	0.3
74.72410	0.3
79.05477	0.8
81.07072	1.6
91.05470	0.5
93.07058	0.6
95.04955	0.7
95.08616	0.7
97.06513	0.6
98.22728	0.4
98.97575	0.8
105.07009	0.9
109.10146	0.9
111.04439	0.3
116.98647	0.5
118.81039	0.3
121.02869	0.5
121.06501	0.4
121.10132	0.5
123.08051	0.4
124.41772	0.4
124.67509	0.3
128.06207	0.7
134.08127	0.3
134.99677	0.4
135.04449	0.5
137.03860	0.3
138.04671	0.3
139.05426	0.6
141.06776	0.3
149.02354	1.7
151.03896	0.4
153.06995	0.5
156.05681	0.5
159.11682	0.4
163.03897	1.4
165.05508	0.5
165.06883	0.4
165.22887	0.4
167.04979	0.7
168.05702	0.7
169.06462	0.5
177.01840	1.3
181.06487	0.5
183.04372	1.5
184.05165	4.1
194.03638	0.8
195.04373	1.6
196.05185	1.8
197.05937	1.1
199.03700	0.3
199.07457	1.7
199.11278	0.4
209.06056	0.4
211.03909	6.0
211.07513	0.5
211.76576	0.3
212.04657	6.4
213.05409	1.0
222.03136	0.6
223.03867	0.7
224.04675	2.7
225.05406	2.6
226.02219	0.3
226.06189	1.2
227.03568	0.4
227.07007	8.2
227.91267	0.3
237.05478	0.5
238.06255	0.6
239.03477	1.5
239.06915	0.8
240.04196	6.2
241.04933	4.1
241.38611	0.3
242.05559	0.5
251.03377	1.9
252.04156	2.7
253.04881	3.2
254.05763	1.5
255.06522	27.5
256.06815	1.2
267.03125	0.5
267.06494	1.8
268.03723	1.8
268.07178	1.3
269.04440	15.0
270.05142	2.2
280.03650	4.4
281.04391	1.3
281.13559	1.1
283.02634	0.6
283.06000	1.8
284.03226	0.9
284.06775	3.3
295.06079	1.2
295.15036	0.8
296.06659	0.9
297.03833	2.6
298.04678	5.8
298.10812	0.5
299.05078	0.4
312.29031	0.7
313.07040	100.0
313.15829	4.9
314.07391	5.1
314.13666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05510	1.8
57.03443	0.4
57.07073	1.7
58.06590	0.4
62.06072	0.8
67.05492	1.0
69.07070	1.7
69.76918	0.3
69.77272	0.7
71.08619	1.2
79.05483	0.4
81.07066	1.4
83.08617	1.1
85.06506	0.2
85.10162	0.8
88.07613	0.2
91.05486	0.3
93.07008	0.5
93.86443	0.2
95.04942	0.2
95.08593	1.4
95.45935	0.2
97.10143	0.5
98.97561	0.3
102.25031	0.2
105.07043	0.2
107.08591	0.3
108.25156	0.2
109.06503	0.3
109.10146	0.7
113.09631	0.2
119.08546	0.3
121.10110	0.3
128.29774	0.2
132.05679	0.4
133.06485	1.1
135.04417	1.0
135.11713	0.4
137.06142	0.2
138.03082	0.7
147.11717	0.2
153.01840	0.3
166.02531	0.5
173.13100	0.2
181.04878	1.3
193.61220	0.2
227.07053	0.8
243.06441	0.4
255.06447	1.5
269.08038	1.3
270.08841	20.5
271.09192	1.0
277.21594	1.0
278.21982	0.2
281.08130	0.6
294.31653	0.2
295.22711	0.4
297.07559	6.6
297.10025	0.3
298.08322	19.8
299.08685	1.0
311.09241	0.4
312.32581	6.5
313.10663	100.0
313.27316	3.1
313.32819	2.4
314.10956	6.0
314.34097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1774
Annotation	Tofacitinib
Peak:m/z	Relative Intensity
50.95879	0.6
64.54089	0.6
69.11397	3.7
98.23457	0.9
124.04901	0.6
228.65765	0.7
270.81085	0.6
313.17722	100.0
314.17999	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.46876	1.9
53.03941	3.2
55.01876	26.6
55.05509	58.2
57.03431	9.3
57.07071	9.3
59.05000	2.5
60.67385	2.2
65.03928	2.0
67.05501	100.0
69.03424	4.9
69.07061	42.5
69.79863	2.0
71.04990	6.5
71.08626	20.9
79.05489	47.2
81.03406	7.5
81.07052	95.4
83.04977	15.0
83.08613	35.0
84.36514	2.0
85.06561	6.0
85.10182	4.4
91.05474	38.4
93.07040	65.1
95.04424	2.0
95.04960	10.2
95.08607	44.7
97.06523	23.7
97.10158	19.1
98.22707	5.2
99.08105	18.2
101.45292	2.0
105.07029	28.1
107.04933	3.9
107.08582	35.3
109.06511	8.5
109.10158	39.6
111.08072	24.7
113.09636	6.2
117.07016	9.0
119.08562	20.4
121.06505	2.8
121.10128	26.9
123.08037	9.7
123.11713	7.3
125.09630	15.2
129.07022	5.6
131.08586	11.5
133.10130	22.7
135.08116	2.4
135.11685	23.4
137.09630	8.8
137.13306	2.9
139.11166	18.6
143.08551	3.5
145.10110	6.5
146.86543	1.8
147.11678	25.3
149.09615	6.2
149.13232	26.0
151.11139	17.0
153.12761	3.8
155.10706	7.5
157.10147	2.5
159.11711	13.2
161.09592	2.9
161.13225	11.5
163.11169	7.0
163.14871	4.4
165.12756	18.3
167.14305	3.6
171.11676	4.3
173.11748	21.5
173.13229	4.8
175.11215	4.1
175.14867	4.9
177.12720	11.5
179.14351	8.8
181.12173	2.9
183.14056	1.9
185.13277	3.5
189.11221	6.7
189.12752	2.8
195.13774	38.6
203.89285	1.9
207.13823	3.3
213.14879	8.3
221.15276	2.7
231.21040	7.1
238.97800	2.1
241.19579	10.8
249.22026	10.6
259.20575	12.6
277.21625	84.7
278.21930	5.1
295.22665	36.7
299.11469	2.3
313.25433	8.2
314.13846	6.5
317.19553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01859	6.7
55.05511	22.0
57.03427	8.6
57.07052	5.9
63.61712	1.4
67.05159	2.7
67.05499	42.2
69.07061	17.0
69.14012	11.6
71.04980	14.3
71.08627	59.9
77.97437	1.3
79.05485	21.7
81.03424	2.0
81.07054	33.4
83.04981	12.7
83.08607	14.0
84.00053	1.4
84.24605	1.8
85.06528	5.4
86.27310	1.5
91.05474	12.0
93.06528	1.2
93.07039	26.9
95.04949	4.5
95.08591	21.5
97.06525	10.5
97.10159	7.4
98.22704	3.5
99.08088	54.5
105.07031	12.3
107.08588	17.4
109.06542	2.2
109.10146	14.5
111.08054	5.4
111.11743	1.9
117.07018	4.3
119.08599	12.5
121.10140	14.7
123.11678	5.3
125.09612	3.6
127.11166	10.7
129.06976	2.4
131.08539	3.8
133.10104	9.5
135.11676	14.9
137.09610	2.8
141.12732	55.2
143.08514	2.6
145.10123	11.0
147.11699	5.8
149.09528	1.8
149.13310	2.6
149.21201	1.7
151.11192	13.9
151.12292	2.4
151.14745	2.1
153.12701	5.7
157.10008	2.0
159.11700	1.7
159.45259	1.6
161.13248	13.6
163.11182	17.1
164.88962	1.4
165.12755	7.8
169.12222	24.3
170.71140	1.5
171.11687	3.9
173.13202	1.8
175.14789	3.4
179.14297	9.8
181.12206	2.6
185.13188	1.8
193.15794	1.5
217.19653	1.6
231.21048	3.6
241.19519	4.8
249.22224	2.7
259.20523	10.8
277.21625	55.5
278.21902	2.5
295.22644	100.0
296.22879	5.7
313.17755	3.5
313.23886	2.7
314.13840	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03933	2.8
55.01871	9.5
55.05511	27.3
57.03441	8.0
57.07079	6.4
59.05026	1.9
60.45505	1.2
65.03951	2.1
67.05505	49.6
68.53303	1.2
69.03448	1.6
69.07072	15.6
69.33797	2.8
69.34195	3.2
70.78553	1.3
71.04992	14.7
71.08630	25.7
79.05492	21.9
81.03422	2.8
81.07055	37.6
82.07435	1.4
83.04984	12.1
83.08627	21.9
85.02895	1.2
85.06561	4.2
85.10213	1.4
85.21980	1.1
91.05482	10.1
93.07050	27.4
95.04967	5.0
95.08610	18.2
97.06543	7.2
97.07092	1.3
97.10168	21.2
98.97608	2.3
99.08099	24.2
105.07035	10.0
107.04989	1.5
107.08589	21.6
109.06516	2.7
109.10158	21.9
111.08095	5.5
113.09628	2.2
116.98642	1.7
117.07026	3.9
119.08573	9.0
121.10167	7.9
123.08044	1.4
123.11713	5.9
125.09648	18.0
127.11187	8.1
129.07024	1.8
131.08560	2.9
133.10100	9.0
135.08041	3.0
135.11674	12.9
137.09654	2.4
139.11192	1.3
141.12738	54.3
143.08521	2.0
145.10092	5.7
147.11717	7.2
149.13258	4.1
151.11201	5.4
153.09164	2.1
153.12793	7.0
155.10725	1.2
157.10069	1.8
159.11752	2.9
161.13240	6.4
163.11185	6.7
165.12776	4.6
167.10606	1.3
169.12236	24.7
171.10243	2.5
171.11703	2.8
173.13225	1.7
175.09711	2.1
175.14784	2.6
177.12802	2.1
179.14261	6.2
181.12288	3.3
189.11234	29.8
189.12732	1.7
193.15826	1.2
231.21098	2.9
241.19493	3.2
249.22154	1.6
259.20544	7.0
277.21637	69.1
278.21994	2.8
295.22684	100.0
296.23035	6.8
298.10831	2.7
299.11432	2.7
313.17874	1.8
313.23749	4.5
314.13885	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31213	0.2
53.35289	0.2
55.05517	4.5
55.29306	0.3
57.03444	12.7
57.07080	38.9
58.07410	0.4
67.05508	7.7
69.07070	7.1
71.05002	0.4
71.08636	25.6
72.08967	0.5
75.04495	0.6
79.05483	0.6
81.07063	9.9
83.04985	0.3
83.08624	7.7
83.09093	0.5
85.06564	0.7
85.10187	13.6
86.10548	0.3
89.06042	1.6
93.07061	0.5
95.08612	14.9
97.06567	0.4
97.10185	4.8
99.11741	1.1
101.92377	0.3
103.07600	1.5
107.08601	0.3
109.10164	7.2
111.08070	0.3
111.11765	1.1
117.09180	0.6
121.10193	0.7
123.11734	2.2
125.13303	0.3
131.50011	0.3
135.11731	0.3
137.13249	1.4
151.14862	0.4
170.58792	0.3
173.15485	0.3
189.24937	0.3
221.22701	0.7
239.23665	3.7
257.24774	3.8
259.37494	0.3
261.38635	0.3
283.54068	0.3
298.27426	0.6
298.65735	0.2
313.27383	100.0
314.13879	0.9
314.27734	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28231	0.4
53.30148	0.3
55.05510	7.7
57.03201	0.4
57.03439	15.6
57.07078	47.1
58.07408	0.7
59.05013	0.4
61.08997	0.3
63.87027	0.4
67.05508	8.5
69.07070	8.4
69.98522	0.9
69.98862	0.5
71.04992	0.6
71.08633	30.4
73.06555	0.5
75.04498	0.6
79.05518	0.9
81.07059	12.7
83.04973	0.5
83.08620	9.2
83.09092	0.6
84.08966	0.3
85.06554	0.7
85.10186	17.1
89.06033	2.1
93.07030	0.8
95.08608	16.5
96.08978	0.4
97.06514	0.4
97.10168	4.3
99.11751	1.1
103.07565	2.1
107.08610	0.6
109.10169	7.9
111.11732	1.4
121.10133	0.5
123.11703	3.2
124.04541	0.3
125.13342	0.7
137.13287	1.5
151.14819	0.4
160.37468	0.3
164.74400	0.4
165.16403	0.5
221.22762	0.4
239.23677	3.3
256.45706	0.4
257.24728	4.5
313.27371	100.0
314.13843	1.2
314.27728	6.8
314.31085	0.6
333.10760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.0
57.03435	15.1
57.07073	48.4
58.07403	1.1
59.04993	0.4
67.05501	9.6
69.07066	9.7
70.07379	0.5
71.04989	0.6
71.08628	31.7
71.90393	0.4
79.05484	0.8
81.07056	11.6
83.04998	0.7
83.08616	8.7
85.10178	16.0
89.06016	2.7
89.77901	0.4
93.07034	1.4
95.08601	17.5
97.06548	0.5
97.10171	4.6
99.11719	0.8
103.07565	1.3
105.06979	0.4
107.08637	0.7
109.10148	8.1
111.11710	1.2
116.98631	0.6
117.09126	0.7
123.11691	2.8
125.13307	0.7
135.11697	0.6
137.13251	1.4
151.23373	0.5
201.18317	0.5
225.22597	0.4
227.55089	0.4
231.33179	0.4
239.23708	3.2
257.24719	3.3
298.08237	0.6
299.11612	0.6
306.29968	0.4
313.10620	2.6
313.27344	100.0
314.13849	2.1
314.27725	7.6
314.33997	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38301	0.2
55.05515	5.7
57.03440	12.6
57.07077	45.0
58.07416	0.7
67.05508	7.8
69.07069	8.0
70.07398	0.3
70.74104	0.5
71.04985	0.6
71.08633	27.1
72.08977	0.4
75.04475	0.6
79.05478	0.6
81.07057	11.1
83.08624	8.8
84.08973	0.2
85.06558	0.5
85.10184	15.3
88.50477	0.3
89.06026	1.8
93.07068	0.8
95.08606	15.2
95.10247	0.3
96.08959	0.3
97.06605	0.4
97.10180	4.4
98.10519	0.3
99.11755	0.9
101.81364	0.3
103.07585	2.0
107.08618	0.5
109.10157	7.0
111.11724	1.3
117.09182	0.5
121.10129	0.3
123.11710	3.1
125.13244	0.6
137.13266	0.9
149.13228	0.4
151.14848	0.6
165.16435	0.5
182.23882	0.3
221.22786	0.4
239.23705	3.1
257.24789	4.0
298.10577	0.6
313.27365	100.0
314.13907	0.7
314.24695	0.2
314.27722	6.3
327.50629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46889	0.2
56.96549	1.3
63.43514	0.2
69.03409	0.5
70.52728	0.3
70.53064	0.2
85.02901	0.3
86.09697	1.1
86.12970	0.3
89.06020	0.4
95.06064	0.3
97.02906	0.3
98.97576	5.4
115.03873	0.3
116.98614	2.1
117.05466	0.5
119.01905	0.9
123.98591	0.3
134.99689	0.9
135.06500	0.4
140.97928	0.2
140.98764	1.2
152.06946	0.3
154.03529	0.3
158.99863	4.3
160.06511	0.2
164.98767	0.2
166.13420	0.3
174.97639	0.5
177.00941	26.1
178.01021	2.6
182.99770	2.4
185.01387	1.3
192.98683	0.4
194.98634	0.2
200.02592	0.2
200.99036	0.5
201.00923	8.7
202.01088	0.9
203.02507	23.0
204.02647	1.9
214.09108	0.2
216.98790	0.5
217.99001	0.3
218.03551	1.4
218.98497	3.1
219.01993	100.0
220.02107	9.1
221.02080	0.7
223.94052	0.2
234.99680	0.6
235.99933	0.3
236.99445	2.8
242.03558	0.7
242.07243	0.5
247.01498	2.2
258.99768	0.9
259.35788	0.3
261.02960	0.3
266.07217	0.5
268.08835	3.3
272.04898	0.3
276.04211	0.3
277.00818	0.8
278.00970	0.2
284.08267	9.7
285.08481	1.2
287.08243	1.0
290.94720	0.4
296.08206	3.3
296.11237	0.3
297.08435	0.4
313.57584	0.5
314.09326	44.3
315.09576	4.9
332.07220	2.7
332.10379	70.6
333.10538	7.2
334.10544	0.4
337.10849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03942	0.3
55.01868	0.4
63.02374	0.5
64.44600	0.3
67.05456	0.3
77.03928	1.4
79.05501	0.3
89.03925	4.5
91.05484	6.7
93.07051	12.1
95.04973	3.2
96.05331	0.4
98.97601	0.5
103.05473	8.6
105.04514	1.2
106.04166	0.4
117.03386	17.6
118.03695	0.7
119.04932	0.6
121.06510	55.5
122.06838	1.8
134.03618	0.9
135.04488	0.8
145.02849	52.9
146.03174	1.9
149.05986	4.8
151.07533	0.9
162.03094	0.4
163.03854	0.5
177.05478	100.0
177.65695	0.3
178.05820	3.7
186.05501	0.9
194.08144	0.8
198.11377	0.3
270.68399	0.3
290.94833	0.4
298.10559	0.4
299.11383	0.6
314.13867	37.9
315.14362	2.1
315.19437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1386
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
56.47469	0.2
58.06598	11.1
58.78108	0.2
69.53210	0.9
70.39820	0.2
79.05480	0.3
82.37470	0.2
83.20846	0.3
86.04124	0.2
90.07224	0.2
91.05455	0.4
98.97569	0.3
103.05453	0.3
104.31773	0.2
105.07034	0.5
106.22188	0.2
107.04945	4.1
109.06568	0.2
115.03298	0.3
115.05412	0.3
121.06527	0.4
131.04897	0.5
133.06479	0.3
136.05185	0.9
137.05971	1.2
138.05531	0.4
143.04910	0.6
145.06458	0.4
146.06073	0.2
150.06731	0.4
151.07527	9.2
152.07025	2.9
152.08006	0.3
162.05481	1.0
163.06239	0.6
164.07042	0.3
165.09125	1.0
175.07520	0.6
176.07059	0.6
177.09114	0.3
197.12892	0.4
209.09589	0.4
236.10759	0.4
237.09209	0.6
252.10263	0.3
253.07330	0.3
253.10919	0.3
254.11842	0.3
256.09586	1.0
264.10233	0.4
266.08032	0.6
267.08997	0.4
268.13254	0.9
269.11591	1.1
270.07626	1.2
271.13309	0.6
280.09616	0.6
282.11255	0.8
283.08353	1.8
284.09161	2.5
285.09897	1.2
296.12793	1.0
298.10721	44.8
299.11472	30.1
300.11813	1.5
314.13885	100.0
314.17432	12.5
315.14224	7.3
315.17706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75696	2.6
55.01874	7.6
56.96559	12.9
57.03426	27.3
57.07067	18.0
59.05010	4.3
61.02916	5.4
67.05503	5.0
69.03416	3.1
70.06589	12.3
72.08149	8.9
73.02896	19.3
75.04459	4.5
84.08125	5.8
85.02893	61.4
85.06532	18.4
86.09703	3.7
89.06034	8.4
95.05029	3.0
95.06087	9.3
97.02909	7.4
98.97577	58.5
101.02364	16.2
103.03929	35.4
103.07571	78.7
105.03371	3.4
113.02350	3.4
113.05991	9.3
116.07076	4.8
116.98621	38.6
117.05486	3.1
127.02726	2.4
127.53819	2.7
131.03375	8.3
134.09656	3.6
134.99660	18.6
135.06557	7.4
136.06129	14.9
146.38451	2.6
149.04442	45.6
149.08060	3.1
152.07027	2.8
152.10689	6.3
153.00716	2.6
156.04201	13.9
162.38222	2.3
166.13298	2.5
167.05524	24.3
174.97636	5.9
187.06009	3.3
192.98697	2.6
211.14392	8.6
217.07013	14.0
219.00230	3.8
219.02049	5.8
232.96294	5.1
235.08182	7.6
236.02153	3.6
236.99095	2.9
243.08600	14.4
250.97005	2.7
258.99673	3.0
261.09714	24.0
270.21680	4.8
272.93777	4.6
274.97528	3.8
277.00922	3.7
279.10736	50.7
280.10828	2.4
290.94736	43.6
290.97821	3.2
291.97458	3.3
308.95779	8.6
314.06271	2.8
314.12180	17.2
314.16458	3.3
315.07523	4.4
315.10471	100.0
315.14157	4.8
333.08517	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.175
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06602	28.9
59.06936	0.4
69.24597	0.8
69.25004	1.4
73.50025	0.4
79.05487	0.4
91.05466	0.6
93.07034	0.5
95.04967	0.9
103.05509	0.4
107.04954	47.7
108.05311	0.7
115.04145	0.4
115.05461	4.5
117.07014	1.5
119.04934	0.6
121.02834	0.6
121.06512	4.0
131.04962	0.9
137.05981	5.1
143.04916	8.0
145.01488	0.3
145.06485	4.7
147.07996	0.9
151.07536	1.2
155.06068	0.5
160.05249	0.5
161.05963	0.7
162.06737	0.4
163.07498	0.5
165.07065	0.4
175.07555	4.0
176.10698	0.5
177.09094	1.0
178.08737	0.5
181.06436	0.4
181.10097	0.5
191.08559	0.7
192.10188	2.4
193.11017	0.5
194.07248	1.5
194.11783	0.9
205.40030	0.4
209.09595	3.5
211.11194	1.2
219.07899	0.8
222.06709	0.5
237.09093	4.1
239.07242	0.6
239.10666	0.8
251.10669	0.6
269.11731	9.8
271.13254	2.3
298.10748	0.7
314.17487	100.0
315.17816	6.0
334.52878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1749
Annotation	Laurifine
Peak:m/z	Relative Intensity
55.64552	0.5
57.02717	0.5
58.06600	92.7
59.06940	0.9
71.06737	0.8
72.04533	0.4
79.05522	0.7
95.04963	0.6
107.04951	35.3
108.05286	0.8
115.05510	1.5
117.07084	0.8
119.04938	0.6
121.06487	3.6
131.04970	0.9
137.05960	3.2
137.70683	0.4
143.04927	4.4
145.06485	3.5
147.08070	1.2
149.06047	0.5
151.07536	4.9
152.07109	1.2
160.05179	1.0
175.07533	5.5
181.06494	0.7
181.10208	0.8
183.08035	0.6
191.08600	0.8
192.10202	2.5
193.10999	0.8
194.07382	1.0
209.09541	3.0
211.11266	0.7
219.08223	0.6
237.09053	3.3
239.10689	1.0
254.09340	0.6
268.13412	0.5
269.11728	11.0
270.07565	0.6
270.11996	0.7
271.13275	4.1
272.13510	0.6
283.08527	1.0
284.09247	1.1
298.10727	16.2
299.11499	9.4
300.12207	0.5
314.13934	32.8
314.17609	100.0
315.14194	2.2
315.17957	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49828	0.6
52.95568	0.5
53.03945	0.7
55.01870	2.0
55.05510	8.7
56.05035	7.4
57.03432	0.8
58.00427	0.7
58.06600	54.4
59.06952	0.8
64.87054	0.6
65.03916	0.6
67.05504	12.6
68.05032	2.1
69.03431	10.1
69.07065	5.5
70.02959	0.9
70.06585	5.2
71.04992	6.3
71.45344	0.5
72.04510	1.4
74.06091	0.6
75.82053	0.6
77.03955	0.7
79.05495	12.0
80.05016	3.2
81.03417	9.2
81.07056	21.1
82.06588	2.9
83.04974	5.6
83.08608	5.9
84.04509	10.3
84.08134	3.2
85.02896	3.4
85.06545	1.6
86.06065	45.5
87.04466	39.6
87.06377	0.7
91.05478	9.9
93.07042	12.9
94.06560	3.2
95.04980	4.3
95.08604	11.5
96.04483	1.0
96.08123	4.8
97.06523	10.1
97.07108	0.8
97.10156	2.7
98.06061	9.4
98.97598	2.1
100.11270	0.9
102.05547	5.8
103.05497	0.9
103.42575	0.6
104.07107	12.7
105.05942	0.6
105.07021	8.7
107.04957	21.8
107.08596	7.1
109.06524	2.4
109.10147	3.6
110.06034	1.6
110.09710	1.2
111.08099	2.6
112.07605	13.7
113.05975	0.7
114.05578	0.7
115.05463	2.3
116.98655	1.2
117.07018	2.4
119.04963	1.0
119.08581	5.0
121.06492	2.8
121.10155	4.8
122.06010	1.2
123.08099	2.1
123.11713	1.5
124.07588	7.4
125.09630	1.5
126.09143	1.7
128.10719	1.1
129.06964	1.7
131.04913	1.0
131.08557	5.4
133.06241	0.6
133.10149	3.9
135.08054	1.6
135.11714	2.5
137.05977	3.3
137.09627	3.7
138.09135	1.4
138.12791	3.3
139.91057	0.6
140.07072	2.7
141.09087	0.7
142.08630	6.4
143.04933	2.7
145.06493	2.2
147.08067	2.6
147.11684	5.6
148.07571	2.6
148.11140	0.9
149.09615	19.0
149.13246	1.4
150.09056	0.9
151.07559	6.2
151.11143	0.7
152.07056	2.6
156.10190	1.5
157.10146	2.7
158.08107	6.4
159.11670	2.0
160.05203	0.9
162.05510	1.2
163.06317	1.0
163.07600	0.7
165.09122	4.5
165.12747	2.6
166.12321	1.8
175.07512	2.8
175.11153	3.6
177.12802	2.3
182.15309	3.4
184.13324	2.8
190.15871	0.7
191.08562	0.8
192.10222	1.9
192.13779	1.3
193.12262	12.2
194.15417	0.8
195.13768	4.1
198.15073	0.6
200.16385	0.7
209.07768	0.6
209.09647	2.5
210.14888	11.7
211.11372	0.7
211.13283	16.7
212.13593	0.6
212.16472	3.4
213.14890	1.9
220.16945	0.7
228.15865	4.6
230.17509	1.0
237.09036	2.9
250.18008	2.9
252.12259	0.7
254.09120	0.7
260.16501	4.5
266.08215	0.9
268.19168	2.2
269.11688	5.8
270.04468	0.7
270.07520	1.0
270.16992	17.1
271.13202	3.2
271.17505	0.6
278.17511	8.6
283.08252	1.7
284.09232	2.4
285.09946	1.4
286.20105	1.8
290.94675	1.4
296.12939	1.1
296.18515	8.1
298.10730	37.8
299.08145	1.1
299.11465	25.9
300.11868	2.0
314.10147	4.9
314.14432	76.1
314.16956	23.0
314.20169	100.0
315.14569	4.7
315.17349	1.6
315.19946	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
57.07074	10.5
58.06598	2.3
62.05779	0.4
62.06084	6.7
65.82678	0.3
69.07068	0.7
71.08621	4.8
72.02332	0.3
72.08136	0.6
72.09310	0.3
77.22533	0.3
78.96641	0.3
79.05468	0.4
81.07030	0.3
85.10181	1.9
87.04505	0.3
88.93324	0.3
98.97557	0.7
109.10140	0.4
116.98618	0.5
117.06979	0.3
132.03041	0.3
149.66135	0.3
151.07471	0.4
156.17439	0.6
174.18527	1.8
184.20605	0.5
202.21672	2.1
230.24652	0.4
240.26866	5.2
256.26431	0.3
258.27905	30.2
259.28165	1.9
270.31454	0.3
290.94791	0.4
296.29285	0.3
296.32947	0.5
298.10675	1.9
299.11462	1.0
314.13828	4.0
314.34134	100.0
315.19321	6.7
315.22659	0.3
315.34451	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1051
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
56.96566	0.9
57.44553	0.3
58.06562	0.6
59.04992	0.6
65.23104	0.5
69.99242	0.7
70.06593	1.1
79.05492	0.3
84.07590	0.3
84.08146	0.5
85.02904	0.6
86.09702	0.6
87.63180	0.3
94.47789	0.4
96.04480	0.3
98.23302	0.6
98.97576	2.7
103.64191	0.3
105.03406	4.0
113.26012	0.3
116.07056	0.7
116.98665	1.9
118.08673	0.8
134.99646	1.0
153.05244	0.8
171.89046	0.3
203.02065	0.3
232.96173	0.5
256.96439	0.4
274.97565	1.0
292.98514	0.5
315.10483	100.0
316.10767	4.0
316.13998	0.5
333.08673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.8
62.06095	1.0
69.25533	2.3
69.25964	3.3
93.07011	0.8
95.32309	0.7
98.97555	1.0
105.07030	0.9
138.91617	0.9
226.91095	0.9
229.23256	0.9
241.27304	1.1
258.27930	2.9
259.28247	3.8
284.37454	0.9
313.24588	1.0
314.34122	7.7
315.19284	100.0
315.34451	17.3
316.19592	7.7
328.49042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.193
Annotation	E-64c
Peak:m/z	Relative Intensity
72.89311	0.7
74.96167	0.6
84.38564	0.6
84.58778	0.5
98.23486	1.5
98.97574	0.8
122.17336	0.6
177.88849	0.6
216.31807	0.7
314.34161	0.9
315.19290	100.0
315.34427	1.4
316.19699	7.3
316.32141	0.9
330.60471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.1
57.07059	1.5
60.04528	6.6
65.67468	1.0
67.05499	4.0
69.07056	2.5
70.56062	2.0
71.08589	1.2
79.05479	3.9
81.07043	8.0
83.08598	1.1
88.07613	1.7
91.05458	3.7
93.07033	5.4
95.08590	5.2
98.97559	7.5
105.07018	5.4
106.08672	2.4
107.08589	5.4
109.02827	1.4
109.06498	1.8
109.10127	1.6
116.98623	4.5
119.08583	5.0
121.10155	4.2
123.67537	1.1
125.06017	1.1
131.08568	2.4
133.10088	2.8
134.99628	1.4
135.07999	2.4
135.11665	1.8
143.08539	2.4
145.10078	2.2
147.07994	1.9
147.11751	1.4
156.94836	1.1
157.10091	1.7
159.11746	2.6
161.09583	2.2
161.13252	3.5
167.07118	1.2
171.11797	1.7
173.09627	1.3
185.83247	1.1
189.08948	1.6
199.14841	2.8
201.16325	1.1
208.02765	1.4
213.12674	1.2
239.78242	1.3
254.87422	1.3
255.17300	1.3
268.94153	2.0
269.18835	2.3
274.97443	2.2
287.19897	1.7
288.07715	2.7
297.18472	3.5
315.07083	3.6
315.19299	100.0
316.07291	3.3
316.19611	5.1
316.28445	3.7
316.32104	9.9
328.14209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.96552	1.9
57.07065	2.5
60.04517	1.5
67.05502	1.2
70.06597	2.8
71.08617	0.8
81.07046	1.2
83.08630	0.6
88.07626	4.9
91.05461	1.5
93.07015	0.7
95.04984	0.6
95.08578	1.4
98.23416	1.5
98.97613	3.5
102.09188	0.8
105.03381	0.8
105.07019	8.2
106.08658	2.5
107.08586	0.9
109.10120	0.7
116.98615	2.1
134.99683	1.0
149.05968	1.3
233.83392	0.6
268.94226	1.2
297.18500	1.4
298.31158	1.0
315.19293	100.0
316.19614	5.8
316.22672	1.5
316.28668	1.5
316.32056	28.4
333.17267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
55.01862	1.5
55.05513	6.1
57.03419	1.0
57.07054	1.4
60.04512	1.4
65.03941	1.7
67.05161	1.0
67.05501	13.0
68.23805	0.7
69.07058	3.2
69.72418	1.9
69.72779	1.7
71.04965	0.8
71.48269	0.9
77.03899	2.2
79.05489	21.1
81.03409	0.7
81.07050	16.5
83.04949	2.0
83.08617	1.8
83.41019	0.7
91.05473	25.2
93.07040	53.6
94.07352	1.0
95.04965	6.6
95.08606	16.1
97.02895	1.1
98.97572	1.9
103.05445	2.0
105.03399	3.8
105.04520	1.3
105.07024	34.9
105.07732	1.7
107.04934	4.1
107.08591	33.0
109.06537	3.9
109.10142	12.7
111.04430	8.7
111.08067	1.9
115.05411	1.5
117.07021	7.2
119.08576	20.9
119.67355	0.8
121.06514	7.2
121.10139	100.0
122.10459	2.2
123.08051	4.7
123.11692	1.9
125.05966	3.0
128.06241	1.7
129.06990	4.2
130.74203	0.9
131.08568	17.7
132.09418	0.8
133.06532	2.0
133.07547	1.3
133.09183	1.3
133.10130	18.4
135.08055	6.9
135.11691	11.5
136.11952	0.8
137.05937	2.3
137.09572	2.0
141.06932	1.9
142.07776	2.5
143.08556	9.9
145.06429	1.0
145.10117	13.1
147.08051	6.8
147.11681	5.9
149.05960	8.4
149.09605	16.7
150.10364	1.7
151.07562	1.8
153.09076	0.9
155.08553	6.1
156.09196	1.1
157.10120	12.1
159.08041	1.7
159.11678	10.9
161.09583	3.3
161.13243	6.7
163.11162	4.7
165.06996	1.3
165.09088	2.5
167.08499	1.9
169.10121	5.7
171.08043	1.5
171.11732	6.1
172.12415	1.3
173.09595	2.2
173.13239	3.7
175.11156	1.4
176.03094	0.9
177.09082	1.3
177.16386	1.0
179.08534	1.3
179.10680	1.2
181.10092	2.8
182.10739	1.4
183.11655	5.1
185.09642	2.6
185.13254	5.4
187.11185	2.2
187.14786	3.7
189.16365	3.2
192.09306	0.8
193.10220	1.2
195.11679	5.9
197.13268	4.6
199.11174	3.4
199.14827	16.0
200.15459	1.5
201.09183	1.0
201.16180	1.2
203.10704	1.1
205.12253	1.0
207.11775	1.2
209.13271	5.4
211.14835	3.3
213.12762	2.2
213.16388	2.7
217.12241	1.5
223.14734	0.9
225.12779	1.2
225.16408	2.4
227.17914	2.4
231.13803	0.9
235.14740	0.9
237.12691	2.7
237.16365	2.5
239.14246	2.0
241.12192	1.1
241.15981	4.8
241.19476	3.2
243.13783	4.2
251.17883	4.7
255.13777	2.2
255.17357	1.5
257.15353	9.2
259.16937	1.6
269.18976	8.4
271.16846	3.3
273.18488	1.1
279.17407	2.3
287.20035	12.8
288.20300	0.9
297.15201	1.2
297.18506	23.5
298.18842	1.9
315.19513	32.2
316.19727	2.3
316.28714	1.1
316.32059	4.1
333.17160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1759
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
53.03950	0.3
55.05525	0.3
55.72675	0.3
56.98839	0.3
60.04525	1.0
67.05514	0.4
67.44057	0.3
68.05029	0.9
69.03422	0.6
69.77763	0.4
69.78100	0.9
70.06599	3.7
72.08167	0.4
73.06565	0.6
80.05018	1.5
80.15318	0.3
81.07089	0.5
82.04207	1.7
82.06590	0.7
82.28741	0.3
83.04984	1.3
84.08147	0.6
86.09726	2.7
91.05483	0.5
93.05791	5.1
94.06576	9.6
95.04977	0.7
95.08608	0.4
96.04507	0.4
96.08156	0.4
98.06056	1.0
98.97591	1.2
102.05550	0.7
105.07053	0.5
106.06568	0.7
107.55334	0.4
108.08120	1.6
108.40819	0.3
109.06546	1.9
110.06040	0.9
111.04479	0.7
111.06828	5.3
112.07623	1.2
116.07107	4.5
118.06536	0.6
119.08602	0.6
121.06530	0.8
124.07642	0.5
124.87005	0.3
131.08601	0.4
133.10139	0.7
135.08078	0.6
136.07567	4.5
137.08397	1.8
138.09152	14.8
140.07053	0.4
145.10071	0.7
147.08070	1.8
147.09006	0.3
154.08655	2.5
155.06729	0.4
155.09427	6.4
157.09854	0.5
159.08049	1.0
161.09639	1.3
165.09232	0.4
172.09705	35.9
173.09880	1.1
173.12837	2.3
175.11266	0.4
185.04219	0.4
189.09140	1.1
199.11186	0.6
201.09117	0.6
201.12546	0.4
207.10162	8.0
215.10706	0.4
226.14447	1.1
226.35773	0.3
229.15353	0.4
245.11745	0.6
263.12772	0.9
272.14929	0.8
274.97479	0.5
281.13858	6.5
292.98883	0.4
298.16409	0.4
316.17572	100.0
317.12109	5.1
317.17850	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30937	0.2
55.05500	0.5
59.21120	0.2
60.04516	0.5
65.03940	0.4
67.04256	0.3
67.05494	0.6
67.54157	0.2
68.05022	0.6
69.03410	0.3
69.66046	0.4
69.66369	0.5
70.06586	2.2
72.08151	2.7
72.74447	0.2
73.06548	0.7
76.92743	0.2
80.05022	1.9
81.07035	0.3
82.04200	1.7
82.06559	0.9
83.04987	1.5
84.08140	0.4
86.09705	2.6
93.05782	6.1
93.07024	0.2
94.06567	11.5
94.07168	0.6
95.04956	0.3
95.07343	0.4
96.04467	0.4
96.08133	0.4
98.06042	0.8
98.23352	0.3
98.97593	0.8
100.07635	0.3
102.05553	0.3
106.06535	0.8
108.08115	1.0
109.06515	0.5
109.18596	0.3
110.06030	0.8
111.06816	6.3
112.07616	1.9
116.07073	3.8
116.98615	0.3
118.06507	0.3
120.08094	0.5
126.09106	0.5
128.10695	0.3
136.06564	0.5
136.07573	6.0
137.08368	1.8
138.09135	17.9
139.09587	0.3
140.07060	0.2
154.08617	2.5
155.06815	0.4
155.08200	0.4
155.09404	5.8
171.14920	0.9
172.09683	32.4
173.10004	0.5
173.12848	0.9
174.37375	0.2
185.04190	0.3
199.14381	0.4
201.12390	0.3
206.27957	0.2
226.14363	1.2
272.14871	0.8
274.97366	0.4
275.63748	0.2
287.10071	0.2
298.16507	0.4
316.17532	100.0
317.12152	3.2
317.17850	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71855	0.3
55.05498	1.1
57.03439	0.7
58.06596	0.6
65.03925	0.5
67.05515	1.6
68.05026	2.0
69.03421	0.4
69.05811	2.5
69.07055	0.9
69.30068	1.8
70.06593	17.3
71.04977	1.7
72.08136	1.1
79.05473	1.0
80.04982	0.5
80.73091	0.3
81.03426	0.8
81.07058	2.6
82.06571	1.3
83.04963	0.5
83.07354	5.1
83.08597	0.6
84.08139	3.0
85.02895	1.6
85.06541	0.4
86.06050	0.5
86.09700	0.9
87.04443	0.8
91.05459	0.9
92.02613	0.5
92.83883	0.3
93.03391	0.9
93.07034	1.3
95.04943	1.0
95.08595	1.3
96.08094	0.4
97.06501	0.3
98.06030	1.2
98.09678	0.5
98.97581	1.2
105.07025	1.0
107.08582	0.9
108.08112	0.4
108.08858	0.4
109.02868	0.4
109.10137	0.8
111.08044	0.4
112.07581	0.4
116.07122	0.4
116.98609	0.6
118.40834	0.3
119.08599	0.7
121.02861	0.9
121.06515	0.4
121.10133	0.8
123.08063	0.5
124.07549	0.9
126.03140	0.4
126.09140	0.8
131.04955	0.3
131.08539	0.5
133.10164	0.6
135.08022	0.5
135.11671	0.3
139.03880	0.7
142.08594	0.4
143.08630	0.4
147.11655	0.6
149.09612	0.5
151.03888	0.9
151.11122	0.5
153.01817	6.5
161.84407	0.3
165.01852	0.4
167.58470	0.3
167.65776	0.3
171.11823	0.3
193.12190	0.3
200.04713	0.4
201.05492	0.6
203.03365	0.5
217.05019	0.9
218.05840	0.6
226.18028	3.2
228.04129	0.9
229.04933	2.4
231.02820	0.4
236.16452	5.3
237.16678	0.4
238.17970	1.9
245.04587	1.6
246.05219	1.2
252.19424	0.4
254.17505	100.0
255.17845	4.5
256.19092	4.5
257.04462	2.3
270.20493	0.7
272.18549	4.3
273.03864	1.3
274.04684	2.7
274.97610	0.5
280.19098	0.6
285.03976	2.9
292.94754	0.5
298.20117	42.7
299.20383	2.4
300.11511	0.4
302.04199	8.8
302.07669	0.5
316.05389	0.6
316.18146	1.1
316.21204	22.4
317.06543	48.3
317.21307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	Leu Ala Ile
Peak:m/z	Relative Intensity
55.01856	0.4
55.05517	0.5
56.05021	0.7
56.96563	0.4
58.06601	1.5
67.05509	1.4
69.03435	0.7
69.07065	5.7
70.02938	0.4
70.06585	1.1
70.29362	0.6
77.90536	0.4
79.05501	0.9
81.03438	0.6
81.07063	1.2
84.04514	0.5
84.08156	0.5
85.02880	0.5
86.09704	100.0
87.10027	1.4
89.07178	0.4
91.05475	1.2
93.07020	1.3
94.06603	0.6
95.04970	1.0
95.08601	1.4
97.06537	0.7
98.97562	2.0
105.07031	1.2
107.04964	1.1
107.08578	0.9
108.05280	0.6
109.06520	0.5
109.10178	0.7
111.08089	0.5
112.07549	1.0
114.09161	1.1
116.07119	0.6
116.98620	1.2
119.08573	0.5
121.06528	0.4
122.04272	0.4
127.03966	0.4
129.06961	0.5
130.08611	0.6
131.08551	0.7
132.10196	6.2
133.10068	0.7
134.04485	0.4
134.99702	0.7
135.08078	0.6
137.06039	0.7
137.09671	0.8
138.09959	0.7
143.08554	0.7
149.05975	0.6
153.09160	0.7
157.13361	51.3
158.13695	1.0
159.11671	0.6
166.09445	0.7
185.12845	26.2
186.13177	0.7
203.13901	4.4
209.08047	1.4
240.15900	0.5
245.18622	0.6
254.17570	0.7
274.97525	0.7
281.19110	0.5
292.95026	0.4
292.98651	0.5
298.20148	0.5
299.20056	0.7
316.14688	0.7
316.17682	2.8
316.21460	1.9
317.06482	0.9
317.21219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05031	0.3
56.96557	0.2
57.07078	7.6
57.07363	0.4
58.06589	0.7
59.29545	0.2
60.04530	3.1
62.06071	0.4
67.05501	0.4
68.05023	0.2
69.07076	0.5
70.06595	13.4
70.08143	0.4
70.08499	0.5
71.08270	0.3
71.08636	3.8
74.06082	0.4
79.05488	0.2
81.07054	0.3
83.08627	0.3
85.10197	1.6
86.06066	0.3
88.07632	17.1
93.07060	0.2
95.08608	0.5
98.97596	0.2
102.09186	4.1
104.88150	0.2
105.07014	0.5
106.08669	11.0
109.10143	0.3
116.98612	0.3
128.89433	0.2
146.04701	0.2
156.02690	0.2
173.62852	0.2
192.57658	0.2
254.28406	0.5
272.29492	0.8
280.26270	0.3
298.27731	0.3
298.31039	6.1
299.31403	0.4
316.19724	2.7
316.32092	100.0
317.17160	2.5
317.20267	0.3
317.32428	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02354	0.2
65.03934	0.6
68.99799	0.3
70.01043	0.2
70.01366	0.2
70.06586	0.2
79.05484	0.1
81.03419	0.2
81.07034	0.2
91.05510	0.2
92.02620	3.0
93.02867	0.3
93.03404	2.9
93.07027	0.2
94.04221	0.2
95.04967	0.2
95.08627	0.1
98.23369	0.2
100.40769	0.1
105.07008	0.3
107.08585	0.2
108.02094	0.2
109.02885	0.2
111.00786	0.4
119.08611	0.1
120.02058	0.2
121.02859	2.3
122.03635	0.4
126.03088	0.8
127.03928	0.2
128.78456	0.2
133.06531	0.1
137.02344	0.5
137.05913	0.2
139.03897	1.2
142.73064	0.2
149.02397	0.2
150.03018	0.3
151.03922	1.4
152.01024	0.3
153.01820	16.2
154.02158	0.5
154.79353	0.2
155.04936	0.2
163.03925	0.3
165.01790	0.8
166.02623	0.4
173.05974	0.2
177.05460	0.4
183.02895	0.3
183.04413	0.4
189.05502	0.2
190.06247	0.2
200.04691	0.6
201.05490	1.5
203.03346	1.4
204.04167	0.2
211.03960	0.3
213.05513	0.2
217.04959	2.7
218.05708	1.2
219.02852	0.5
228.04169	2.9
229.04951	6.7
230.05447	0.3
231.02895	1.2
232.03699	0.2
243.06522	0.3
245.04437	3.4
246.05223	3.6
247.05670	0.2
254.17490	0.4
255.17847	0.4
256.03708	0.6
257.04431	3.8
258.05020	0.2
260.03250	0.8
261.07556	0.3
271.05899	0.2
273.03922	3.1
274.04691	6.4
275.04947	0.3
284.03113	0.8
285.03931	6.1
286.04410	0.4
287.02036	0.3
288.06250	0.3
299.20172	0.4
301.03345	0.4
302.04193	18.7
303.04440	0.9
317.06531	100.0
318.06873	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
60.51844	0.0
63.02377	0.1
65.03933	0.6
67.01877	0.1
67.05490	0.1
68.99772	0.4
69.04955	0.1
69.27858	0.3
79.05476	0.1
81.03416	0.1
92.02616	2.7
93.03396	2.7
94.04184	0.1
95.01359	0.1
95.04985	0.2
105.03397	0.1
108.02094	0.1
109.02879	0.2
111.00773	0.4
117.06995	0.1
119.01290	0.1
120.02065	0.2
121.02859	2.1
122.03630	0.3
123.04418	0.1
124.01559	0.2
124.05204	0.1
124.07598	0.1
126.03128	0.9
131.04918	0.1
133.02832	0.2
135.04378	0.1
136.01576	0.1
137.02313	0.5
137.05917	0.2
139.03888	1.5
145.06473	0.2
147.04338	0.1
147.76709	0.1
149.02361	0.2
150.03087	0.2
151.03899	1.3
151.04988	0.1
152.00969	0.1
153.01810	15.8
154.02119	0.3
155.04904	0.3
155.06021	0.1
157.06377	0.1
161.05965	0.2
163.03885	0.3
165.00450	0.1
165.01825	1.1
166.02596	0.4
170.02068	0.1
172.05141	0.1
173.02348	0.1
173.05960	0.4
176.04633	0.2
177.01921	0.1
177.05461	0.4
178.02533	0.1
179.03349	0.3
179.96481	0.1
183.02861	0.4
183.04446	0.2
187.03877	0.2
189.05504	0.2
190.02585	0.1
190.06276	0.3
191.03442	0.1
192.04210	0.1
193.01225	0.1
200.04675	0.6
201.05458	1.5
202.05864	0.1
203.03355	1.2
203.05247	0.1
204.04134	0.2
205.05016	0.1
211.03926	0.1
213.05518	0.1
215.03358	0.1
217.04948	2.6
218.05719	1.1
219.02867	0.5
219.06419	0.1
225.05557	0.1
227.03339	0.1
228.01816	0.1
228.04149	3.2
229.04932	7.2
230.05367	0.3
231.02850	1.1
232.03694	0.2
233.04463	0.1
239.03423	0.2
243.02750	0.1
243.06479	0.4
245.04439	3.5
246.05212	3.3
247.02292	0.1
247.05531	0.1
256.03635	0.5
257.04419	4.4
258.04779	0.3
259.02209	0.1
260.03143	0.6
261.07513	0.5
267.02866	0.1
271.06006	0.4
272.22070	0.1
273.03894	3.3
274.04672	6.7
275.05075	0.3
284.03183	1.0
285.03903	7.6
286.04370	0.5
287.01837	0.2
288.06174	0.3
299.05554	0.1
301.03525	0.4
301.06314	0.1
302.04172	20.4
303.04523	1.0
317.06509	100.0
318.06863	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
60.69442	0.1
64.17456	0.1
65.03936	0.6
65.04227	0.1
67.05508	0.1
68.99785	0.4
69.13011	0.6
92.02615	2.7
93.02882	0.1
93.03398	2.5
95.04956	0.2
98.22691	0.3
105.07017	0.2
109.02880	0.2
111.00806	0.3
113.17502	0.1
120.02067	0.1
121.02865	1.7
122.03616	0.2
126.03117	0.9
133.02834	0.2
133.06407	0.1
135.04475	0.1
136.01543	0.2
137.02299	0.6
137.05855	0.2
139.03882	1.4
145.06517	0.2
147.04396	0.2
149.02328	0.2
150.03105	0.2
151.03879	1.4
152.01083	0.2
152.91281	0.1
153.01814	15.0
154.02144	0.4
155.04837	0.2
160.05103	0.1
161.06036	0.1
163.03899	0.4
163.80283	0.1
165.01826	1.0
166.02570	0.3
173.05994	0.3
177.05402	0.5
179.03313	0.3
183.02884	0.3
183.04366	0.2
185.33934	0.1
187.03978	0.2
189.05441	0.1
190.06329	0.2
200.04681	0.5
201.05472	1.3
203.03349	1.1
217.04939	1.9
218.05736	1.2
219.02879	0.5
219.06345	0.2
228.04146	3.3
229.04932	6.0
230.05412	0.3
231.02852	0.9
232.03574	0.2
233.74266	0.1
239.03369	0.2
243.06499	0.2
245.04428	3.1
246.05202	3.1
247.02348	0.1
247.89554	0.1
256.03610	0.5
257.04431	3.9
258.04965	0.3
260.03186	0.7
261.07565	0.6
271.05966	0.4
273.03888	3.0
274.04678	6.2
275.04990	0.3
276.63031	0.1
284.03113	0.8
285.03909	7.3
286.04398	0.6
287.01898	0.2
288.06152	0.4
301.03534	0.3
302.04178	20.2
303.04538	1.3
317.06516	100.0
318.06866	6.0
318.10666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92304	0.2
65.03937	0.5
65.81273	0.2
67.05492	0.3
68.99783	0.4
69.03424	0.2
69.05819	0.3
69.07035	0.2
70.06592	1.1
70.63824	0.2
80.68465	0.2
81.03403	0.3
81.07075	0.3
84.08116	0.2
91.05485	0.2
92.02615	2.6
93.02874	0.2
93.03413	2.5
93.07034	0.4
95.08619	0.3
105.07047	0.2
107.08571	0.2
111.00755	0.2
121.02863	2.3
121.10166	0.3
126.03099	1.1
127.03870	0.2
131.04916	0.5
131.08627	0.2
137.02339	0.5
137.06007	0.2
139.03897	1.7
145.06491	0.2
151.03909	1.3
151.04968	0.3
152.00974	0.2
153.01825	14.9
154.02202	0.4
163.03984	0.3
165.01813	0.9
173.05960	0.5
177.05457	0.3
179.99286	0.2
183.02913	0.4
183.04373	0.4
187.03917	0.2
189.05411	0.2
192.04144	0.3
200.04707	0.6
201.05467	1.5
203.03366	1.4
217.04970	2.7
218.05727	1.3
219.02863	0.6
226.18019	0.2
228.04175	3.4
228.06250	0.3
229.04942	6.8
230.05321	0.4
231.02821	1.0
232.03662	0.2
237.16730	0.2
239.03351	0.3
245.04459	3.4
246.05252	3.0
252.19612	0.2
254.17484	2.9
255.17839	2.7
256.03668	0.5
257.04453	4.5
257.19522	0.2
258.04932	0.2
260.03201	0.5
261.07635	0.6
271.06104	0.3
273.03891	3.1
274.04715	6.8
275.05164	0.3
284.03238	0.9
285.03918	7.4
286.04398	0.6
288.06143	0.3
298.20148	1.2
299.20404	1.4
301.03296	0.2
302.04196	21.3
303.04590	1.2
316.21164	0.5
317.06537	100.0
318.06876	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.69146	0.2
54.75547	0.2
55.05506	0.2
57.03422	0.2
65.03929	0.8
67.05500	0.6
68.99786	0.4
69.03418	0.5
69.07056	0.3
69.11649	0.4
69.12041	1.0
70.06584	0.3
78.27517	0.2
79.05479	0.4
81.03376	0.4
81.07053	0.9
83.04982	0.2
85.02894	0.2
86.06054	0.6
86.09693	0.6
87.04485	0.5
91.05478	0.6
92.02616	2.8
93.03407	2.8
93.07035	0.6
95.04967	0.4
95.08598	0.4
98.06049	1.1
99.04459	0.3
105.07028	0.9
107.04980	0.3
107.08583	0.6
109.02847	0.4
109.06493	0.4
109.10143	0.7
119.08539	0.4
120.02117	0.3
121.02864	1.9
121.06513	0.3
121.10169	0.3
124.07565	0.4
126.03143	0.9
127.03886	0.5
131.04967	0.3
131.08533	0.3
133.10120	0.4
137.02310	0.5
137.05995	0.6
139.03911	1.7
145.06561	0.3
145.10164	0.2
149.09666	0.2
151.03900	1.3
151.04941	0.3
151.11157	0.5
153.01819	15.8
154.02194	0.2
156.27046	0.3
163.03891	0.2
165.01840	1.1
166.02623	0.2
171.11681	0.3
173.06024	0.3
177.01746	0.2
177.05460	0.4
183.02838	0.2
183.04385	0.2
185.13043	0.3
190.06094	0.2
200.04683	0.6
201.05447	1.5
203.03410	1.2
204.04114	0.3
217.04938	2.4
218.05676	1.0
219.03009	0.5
228.04172	3.1
229.04932	6.5
231.02867	0.8
236.16425	0.4
243.06505	0.3
245.04451	3.0
246.05247	3.0
256.03705	0.4
257.04449	4.5
258.04852	0.2
260.03143	0.6
261.07581	0.6
271.06027	0.6
272.18448	1.8
273.03915	3.1
273.18829	1.8
274.04697	6.5
284.03149	0.8
285.03918	7.2
286.04352	0.2
287.01880	0.3
288.06168	0.5
299.20288	0.5
301.02997	0.2
302.04190	20.6
303.04572	1.1
316.21124	0.5
317.06528	100.0
317.21075	1.7
318.06906	6.1
318.10617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15884	4.9
56.96558	15.2
61.68162	4.5
69.03408	5.6
69.75394	7.8
69.75758	9.0
70.06581	8.8
72.08149	20.3
84.04486	10.4
84.08154	28.2
85.02908	31.4
86.09716	36.7
89.16989	4.4
92.25979	4.4
95.04973	14.2
97.02906	6.7
98.23399	7.2
98.97590	33.5
116.98638	21.1
118.08708	5.7
121.02875	8.8
121.06517	29.3
127.03920	9.6
129.10265	21.4
134.99661	11.1
139.03922	46.7
142.12291	7.0
143.11827	7.0
144.09181	4.6
145.04958	13.7
155.06975	5.1
175.03433	5.5
180.08720	7.7
184.14339	4.9
187.07216	6.8
201.17125	14.9
208.10515	6.6
220.52380	4.8
274.97534	20.7
292.98499	13.4
317.12540	100.0
317.21896	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19957	0.5
69.96674	2.0
74.87177	0.7
83.56507	0.6
117.60092	0.7
122.52073	0.7
234.97469	0.7
317.20892	100.0
318.21173	5.4
333.36801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03958	5.7
55.01883	4.6
55.05509	9.9
57.03432	9.9
65.03919	2.8
65.15250	2.5
65.15919	2.8
65.27216	2.5
67.05511	26.4
69.03428	7.4
69.07070	14.9
71.04983	8.7
71.45138	4.3
79.05503	31.9
81.03424	62.5
81.07063	48.8
83.04986	7.6
83.08624	14.0
85.02912	3.1
85.06541	3.7
91.05479	30.5
93.07047	43.3
93.14519	2.9
95.04972	62.9
95.08605	35.0
97.06529	16.6
97.10139	2.8
105.07043	43.1
107.04953	11.0
107.08599	38.6
109.06513	18.5
109.10158	20.1
111.08090	9.6
111.09846	2.5
117.07004	13.7
119.08580	43.8
120.05692	2.9
121.06492	11.9
121.10146	22.2
123.08059	9.8
123.11726	6.8
125.09651	7.3
127.03918	7.1
128.06168	4.1
129.07005	8.0
131.08574	27.7
131.09538	3.1
133.06493	7.6
133.10133	32.6
135.08051	31.1
135.11693	9.8
137.05991	6.6
137.09634	7.0
141.06998	4.4
142.07823	7.5
143.08548	18.6
144.09366	2.9
145.06520	9.0
145.10120	29.9
147.08095	18.8
147.11644	16.9
148.07533	3.8
149.09621	17.9
149.13248	4.7
151.11223	4.5
153.01837	6.6
155.08562	9.8
156.09332	4.9
157.10135	23.3
159.08057	5.2
159.11688	22.2
161.09607	16.7
161.13245	9.2
163.11189	7.4
163.14792	3.2
167.08495	3.3
168.09373	3.7
169.10136	12.4
171.07959	2.8
171.11702	11.2
173.09589	7.6
173.13283	9.6
175.11200	11.9
175.14899	5.2
179.10771	3.9
181.10086	5.8
183.11685	11.0
185.09587	5.9
185.13333	15.2
187.11191	6.1
187.14836	8.3
189.12808	6.5
189.16309	3.0
193.12259	27.4
194.08209	3.5
195.11713	3.2
197.09677	2.7
197.13278	10.9
199.11221	5.1
199.14824	9.0
201.12700	7.9
201.16426	4.2
203.14381	6.5
205.12408	3.4
207.11742	2.9
209.13347	5.8
211.13173	3.4
213.12762	3.8
213.16306	6.4
215.14365	4.8
215.17841	3.4
225.12796	4.7
225.16425	5.5
235.16934	3.4
239.17931	3.3
241.15829	11.2
241.19341	2.9
243.17430	7.3
253.19627	7.7
256.22714	3.4
263.18011	3.0
267.15955	11.5
271.20547	5.8
281.19037	19.0
299.20108	44.8
299.23688	5.6
300.20578	3.1
302.04254	3.6
317.06573	33.4
317.21136	100.0
318.21289	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03931	0.6
55.01855	1.0
55.05508	13.3
57.03424	0.9
57.07073	4.3
59.04979	0.4
65.03915	0.7
67.05499	12.6
69.03420	2.4
69.07064	20.2
69.16836	1.9
70.07405	0.3
71.04973	1.0
71.08629	1.5
73.06554	0.2
77.03922	0.9
79.05042	0.5
79.05489	10.2
81.07053	17.0
82.07383	0.4
83.04974	0.9
83.08613	7.6
84.45851	0.3
85.06539	0.8
85.10155	0.5
91.05474	14.5
92.05779	0.3
93.07039	20.5
94.07346	0.6
95.04961	3.3
95.08598	10.8
95.09216	0.5
97.06536	1.7
97.10148	1.2
99.08101	0.4
100.83213	0.3
101.09635	0.4
103.05457	0.8
105.04500	0.6
105.07022	29.3
106.07356	0.9
107.04959	0.9
107.08586	15.9
108.08901	0.3
109.06509	6.2
109.10149	4.4
111.08067	1.0
111.11700	0.4
115.05447	0.3
117.06999	3.5
119.08572	26.3
120.08910	0.9
121.06496	18.1
121.10129	6.5
122.07284	0.5
123.08050	3.1
123.11723	1.6
125.09672	0.3
129.06985	0.8
130.07840	0.5
131.08554	7.4
132.09378	0.4
133.06520	0.4
133.10114	12.8
134.10356	0.3
135.08035	12.9
135.11681	6.2
136.08679	0.4
137.09605	0.4
137.13246	0.7
143.08556	0.8
144.09315	0.7
145.10112	6.6
146.10626	0.3
147.08028	0.7
147.11679	8.7
147.12868	0.4
149.09595	3.0
149.13266	3.2
150.53429	0.3
151.11166	0.9
153.07014	0.3
155.08401	0.4
157.10136	1.0
158.10945	0.3
159.11667	4.5
160.12311	0.5
161.09662	1.9
161.13237	10.9
162.13596	0.6
163.11172	11.2
163.14778	1.4
164.11540	0.4
165.12737	3.3
171.11670	0.8
173.13243	2.2
175.11208	0.8
175.14807	6.4
176.15100	0.4
177.12737	13.3
177.16344	0.7
178.13065	0.5
179.14342	0.6
183.11615	0.5
185.13309	0.6
187.14844	1.0
189.12756	0.4
189.16354	3.9
191.14285	1.7
193.15816	0.3
199.14774	0.3
201.12730	0.3
201.16379	1.4
203.14328	0.8
203.17961	0.7
205.15868	1.6
205.19537	0.3
211.14775	0.4
215.17961	1.0
219.17378	0.7
225.16394	0.5
233.18987	1.0
233.75119	0.3
243.17429	0.3
247.16887	0.7
258.40747	0.3
261.18503	1.6
261.25693	1.0
271.24188	2.5
275.19998	2.3
281.22610	0.9
289.25220	14.9
290.25540	0.9
299.23663	3.4
317.24713	100.0
318.25049	8.2
336.34119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01863	3.2
55.91502	0.8
57.03439	5.4
61.00315	0.9
61.02922	9.7
62.78168	0.9
67.40276	1.0
69.03429	18.9
70.09615	2.6
71.05000	2.3
72.76947	1.0
73.02897	4.2
77.96780	0.8
81.03417	6.4
85.02902	100.0
86.03250	1.2
87.04479	3.0
91.03951	9.3
91.05478	2.4
93.07049	4.2
95.04957	1.2
97.02888	24.2
97.03486	1.5
98.22910	2.3
99.04439	4.8
103.03922	1.2
103.05450	2.1
109.02876	8.0
115.03984	1.3
121.06501	88.5
122.06825	2.4
127.03912	22.1
131.08606	0.9
141.06995	1.1
145.04956	49.6
145.06413	3.1
146.05257	1.1
156.10080	1.3
159.08040	3.7
163.06026	10.4
163.07333	1.4
174.11270	6.1
175.07559	2.2
179.07030	2.7
180.08713	3.6
187.07529	18.3
187.09045	1.5
201.09241	1.3
205.08623	12.3
217.08669	1.9
229.08543	6.9
234.00037	1.1
235.09547	1.4
247.09659	4.8
250.71361	1.0
265.10693	4.8
318.12372	2.8
318.19131	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
57.03422	6.3
57.47368	2.0
61.02925	12.9
69.03432	20.2
71.06796	1.9
73.02897	3.9
73.07326	1.6
81.03407	7.3
82.78592	1.6
85.02899	100.0
87.04473	3.9
91.03946	8.0
94.79035	1.8
97.02877	21.4
98.02421	1.5
99.04443	3.9
105.72183	1.6
109.02870	7.2
121.06497	69.3
122.06825	2.1
127.03902	20.0
145.04933	46.9
145.06578	2.2
156.10143	4.1
162.07564	2.2
163.06067	10.0
180.08658	23.3
187.07565	12.7
201.17097	2.9
205.08597	11.4
229.08540	4.6
247.09729	4.1
249.49159	1.7
265.10806	3.0
277.03580	1.7
279.62408	2.3
318.15430	3.1
319.13431	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09450	1.8
55.01875	3.4
55.05504	11.5
56.05039	6.9
57.03427	3.0
67.05502	9.9
69.03420	4.5
69.07068	7.0
69.52016	8.9
70.06591	9.2
71.04996	5.3
72.04528	5.0
72.08131	1.9
73.02898	2.1
79.05489	12.2
80.05035	4.3
81.03416	31.1
81.07050	19.8
81.45563	1.9
82.06580	4.9
83.04985	13.2
83.08617	11.5
84.04504	4.9
84.08164	3.0
85.06535	2.4
86.06063	2.2
90.05556	76.5
91.05471	14.9
91.55486	1.9
93.07050	13.8
94.06583	7.5
95.04965	16.8
95.08601	7.0
96.08141	2.8
97.06533	3.2
97.10191	3.5
98.23375	2.9
99.08118	2.4
105.07016	12.3
107.04962	2.9
107.08624	5.7
108.08163	3.1
109.06508	2.6
109.10162	1.9
111.08097	6.3
116.96774	1.8
117.06992	1.9
119.08604	7.0
121.10174	6.9
123.08076	3.3
128.03806	1.8
129.07008	5.5
131.08583	7.7
132.06575	2.0
133.10120	7.9
137.06017	2.8
138.06288	2.5
144.06569	1.9
145.10123	2.6
147.08125	3.6
147.11717	4.8
149.09633	7.6
157.10114	10.0
158.13731	2.3
166.12273	2.4
175.11195	7.6
192.13898	3.2
193.12233	33.0
194.15358	2.3
196.13350	6.2
210.14893	34.6
211.13292	100.0
211.15335	5.5
212.13594	5.0
214.14427	3.6
216.10651	3.0
228.15979	25.5
236.16516	3.5
238.14349	5.8
240.16318	2.9
254.17555	8.6
256.15384	21.0
259.11050	3.8
264.16144	3.1
273.12329	3.3
274.16583	14.2
274.19342	2.8
282.17035	15.7
300.14493	3.7
300.18015	31.4
301.12067	6.1
311.08646	2.1
318.25485	2.4
319.13058	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65278	0.3
60.04507	0.3
67.05470	0.3
69.03408	0.7
70.06592	0.6
72.08144	0.5
73.06541	1.0
79.05482	0.4
80.05009	0.4
81.03413	0.4
81.07039	0.6
82.06569	5.0
83.04958	0.3
83.07344	0.8
84.08144	0.5
85.02891	2.2
86.09685	0.6
93.07014	0.5
95.04977	0.3
95.07342	1.2
96.08140	2.3
97.02848	0.5
97.08910	0.4
98.06017	0.5
98.97567	0.7
100.07636	0.3
102.05491	0.3
105.07017	0.4
113.08385	13.2
114.09141	1.3
116.98669	0.4
119.08599	0.3
120.08080	0.4
121.06498	5.4
122.09625	0.7
126.09145	0.8
127.03967	0.3
138.09151	1.9
139.07544	0.7
139.09932	0.5
140.10699	2.8
145.04982	0.5
147.08029	0.4
156.10190	4.0
157.09772	0.5
157.10979	4.8
163.11220	0.4
174.11249	90.9
175.11655	2.6
181.12180	0.7
240.16022	0.4
256.15329	0.3
259.11673	0.5
268.15527	0.4
274.16458	1.4
277.12967	1.4
282.16977	0.6
300.08817	0.5
300.17990	1.4
302.12360	0.9
318.19092	100.0
318.25290	2.8
319.15167	1.5
319.19373	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.243
Annotation	Drofenine
Peak:m/z	Relative Intensity
54.96197	0.2
55.05508	1.2
62.06099	0.2
62.25990	0.2
67.05474	0.8
69.03410	0.3
69.07048	0.6
71.08601	0.8
74.06055	0.6
79.05486	0.5
81.07059	1.2
85.06553	0.2
91.05488	1.4
92.05009	3.7
93.05769	0.5
93.07030	0.5
94.06564	0.4
95.04974	0.3
95.08580	0.9
97.06480	0.4
99.50220	0.2
105.07021	0.7
106.06566	1.0
107.08568	0.7
109.10159	0.5
116.98559	0.2
117.05726	0.9
118.06547	12.3
119.07303	0.9
119.08569	0.6
120.08099	1.0
121.10109	0.4
129.06978	0.2
130.06572	1.0
131.07301	0.5
131.08534	0.4
132.08080	0.9
133.08865	0.5
133.10062	0.3
134.09651	0.7
135.08038	0.9
142.12247	0.9
144.08070	0.3
145.08707	0.2
145.10100	0.7
146.09613	0.7
147.11670	0.3
150.00862	0.2
156.63033	0.3
157.10071	0.3
159.11618	0.3
160.11188	0.4
188.14334	2.5
189.15028	0.6
192.13872	0.4
202.15910	3.5
230.15401	29.9
231.15692	1.3
248.16493	3.1
291.06628	0.3
300.20108	0.3
301.21600	0.5
318.24283	100.0
319.06097	1.0
319.24707	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12514	0.5
58.06597	0.9
58.93936	0.4
59.07364	0.9
60.05647	0.5
61.02903	0.8
69.76788	1.1
71.04989	1.2
72.08148	6.4
81.03437	0.4
85.02918	3.1
86.09691	1.9
88.07640	0.7
97.02901	0.6
97.07667	0.6
98.02516	0.4
98.06044	0.7
98.97587	0.6
100.07619	3.6
114.10284	7.3
115.08688	4.3
118.08647	37.8
119.08961	0.5
121.06503	1.8
139.03893	0.6
141.13863	10.5
141.95244	0.4
142.12262	29.3
143.12607	0.7
145.04953	1.0
159.14908	1.8
184.14447	15.3
185.14832	0.5
201.17091	100.0
202.17465	3.5
207.98376	0.5
244.15265	0.4
305.82187	0.4
318.25192	0.6
319.13632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
56.96291	1.9
56.96555	17.5
56.96836	1.1
68.49037	0.8
70.06580	1.8
72.08154	5.8
73.08487	1.2
75.45280	0.8
84.08153	2.9
84.75018	0.8
85.02897	2.2
86.09711	1.7
94.11593	0.9
98.97581	19.4
101.00871	1.4
104.10775	2.0
110.07165	2.8
116.07017	0.9
116.18824	0.7
116.98617	13.0
116.99393	1.2
117.05756	0.8
119.01910	3.0
128.15355	0.8
129.10260	1.3
133.03442	1.3
134.99646	6.4
137.02991	1.2
139.03886	1.2
140.06891	1.2
146.05991	3.7
148.07570	2.5
153.00607	0.8
160.07578	3.4
161.03004	1.1
162.05536	2.3
175.04488	1.0
177.00894	1.5
179.00726	2.7
184.06375	3.2
185.02841	0.9
185.18892	0.9
186.02277	1.4
190.01778	2.7
191.00023	1.0
199.04399	0.9
200.00189	1.1
202.01810	3.2
204.03343	8.9
205.02257	5.5
208.02788	5.8
209.01280	0.9
213.03329	2.3
216.03131	1.5
216.98660	2.2
218.01239	8.2
219.01903	2.4
220.02806	10.1
220.04678	1.2
221.01784	1.9
221.04936	1.8
222.00871	1.5
222.04323	27.1
222.06111	2.3
223.01535	1.2
223.04747	2.5
226.03894	2.9
231.04393	74.0
232.02692	1.8
232.04794	3.2
233.03731	1.6
233.05942	6.0
233.07930	1.2
234.04346	3.3
234.06403	1.3
236.02284	12.2
237.02911	1.0
238.03745	4.1
240.05405	10.1
246.06310	1.3
247.03712	3.1
248.02269	1.4
249.05457	55.3
250.03648	1.4
250.05943	1.8
251.07050	5.5
252.05452	1.7
254.03380	2.2
258.06259	1.2
258.99835	8.6
259.03735	10.7
259.99777	1.5
260.02280	2.3
267.06644	1.2
273.08142	1.9
274.03879	1.5
275.06918	1.4
277.00861	7.4
277.04941	83.9
278.00870	1.7
278.05698	4.4
282.99738	0.9
292.04956	1.2
295.05994	100.0
296.06317	4.9
300.02985	1.0
300.06546	3.7
301.06818	1.2
313.07172	1.0
318.07507	1.1
318.98337	1.1
319.01944	2.0
319.06610	2.8
319.09900	15.3
319.13663	17.3
320.10703	1.5
334.07263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0963
Annotation	4:5
Peak:m/z	Relative Intensity
55.05497	0.1
56.05035	0.3
57.07079	0.2
60.04520	3.0
61.04822	0.1
66.79857	0.0
67.05489	0.1
69.07043	0.1
69.55836	0.1
69.56234	0.1
70.06577	0.1
71.08607	0.1
72.04499	0.0
74.06059	0.1
77.75922	0.0
79.05481	0.1
81.07032	0.1
83.08607	0.1
86.06039	0.0
87.61607	0.0
88.07622	0.2
93.07043	0.1
95.08586	0.1
98.22733	0.1
98.38464	0.0
102.09201	0.0
109.10139	0.0
119.08682	0.0
153.97824	0.0
175.05412	0.1
176.06245	0.1
177.06976	0.1
187.05473	0.1
188.06262	0.1
189.06877	0.3
190.07744	0.3
191.08521	0.1
192.05702	0.1
201.06982	0.1
202.07774	0.1
203.08562	0.1
204.05707	0.1
205.06461	0.3
216.05725	0.2
217.06483	0.4
218.07228	0.9
219.08025	0.8
220.05167	0.1
220.08752	0.1
222.06569	0.0
229.06638	0.1
231.04228	0.1
231.08009	0.2
232.05121	0.1
232.08836	0.1
233.05946	1.2
233.09427	0.2
234.06630	0.2
235.07448	0.1
244.05165	0.1
245.05983	0.2
246.06726	3.5
247.07457	1.5
248.04575	0.1
248.08298	1.0
249.08849	0.1
250.06107	0.1
252.07664	0.0
256.26340	0.1
258.06726	0.1
259.07480	0.7
260.08282	0.6
261.05444	6.5
261.08844	0.4
262.06097	0.9
262.09833	0.6
263.07135	0.2
263.10547	0.2
264.04095	0.1
264.26920	0.1
265.04999	0.1
270.27957	0.1
273.05515	0.2
274.06204	11.0
275.06958	6.3
276.07758	5.8
277.08426	0.7
278.05734	0.1
282.27838	0.3
283.28174	0.1
287.06720	0.2
288.07703	0.2
289.04922	1.4
289.08557	2.1
290.05676	0.3
290.09299	0.5
291.06470	0.2
291.10110	0.5
300.28967	0.4
301.29184	0.1
303.06476	13.9
304.07242	33.9
305.07892	4.6
306.05209	2.9
306.08820	0.1
307.05499	0.2
317.07916	0.1
318.29968	1.3
319.09592	100.0
319.30295	0.5
320.10120	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55022	0.7
52.10477	0.7
56.05028	7.3
56.50079	0.8
57.05812	1.5
60.05657	2.6
69.03432	1.5
69.07050	1.0
70.06589	6.3
72.08153	1.7
79.05530	1.2
81.03399	1.0
81.07054	2.0
83.06080	4.1
85.02917	3.5
85.06631	1.0
86.09715	4.0
87.05592	1.3
91.05472	1.6
93.03279	0.8
93.07039	1.3
95.06125	2.8
95.08636	1.3
97.02904	2.7
97.06532	2.1
98.97588	2.0
99.08052	1.2
100.84856	1.0
101.03512	1.4
105.05804	1.5
110.07185	1.0
111.05564	7.3
112.08702	1.4
113.07146	3.6
116.98638	1.6
120.04495	3.4
120.08138	1.2
121.10166	1.2
123.05549	1.6
126.06667	3.0
127.07443	2.6
128.08200	0.8
130.06502	1.1
132.04449	14.9
132.08006	1.0
134.06032	4.6
139.11220	1.6
140.08206	3.4
148.03920	1.9
150.05467	7.6
151.06146	9.2
157.08626	1.5
157.09724	6.9
157.12267	2.9
159.09206	1.4
165.06602	0.9
170.88913	0.9
176.07127	2.0
187.08688	5.4
189.06659	1.4
199.10899	1.4
202.09744	4.7
203.08183	4.9
230.09232	4.6
231.07628	32.4
232.08051	1.0
232.10696	1.4
233.09383	1.4
233.13968	7.6
234.12428	1.0
236.50446	1.0
242.09300	2.6
246.08800	1.5
257.10294	5.0
259.11902	26.3
260.10156	2.0
277.12939	92.6
278.13254	3.1
284.11444	4.0
301.14221	1.8
302.12457	55.7
303.12836	2.4
319.15213	100.0
320.15506	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
52.36189	3.1
53.03951	3.8
55.01874	3.5
55.05508	23.0
57.03431	7.1
57.07076	5.1
60.08186	3.5
65.03931	6.0
67.05506	48.3
69.03433	6.7
69.07079	19.2
75.04494	5.3
77.03929	3.8
79.04230	3.3
79.05499	52.7
81.03403	4.6
81.07059	82.6
83.04980	5.0
83.08601	7.3
85.06567	4.2
89.36604	3.0
91.05481	55.9
93.07050	94.8
95.04960	16.2
95.08610	70.8
96.08942	3.4
97.06521	17.6
99.08089	3.4
103.05418	4.5
105.04541	4.5
105.07038	100.0
107.04962	3.8
107.08594	65.3
109.06538	22.9
109.10172	28.8
111.08071	11.5
117.07034	21.0
119.08591	54.4
121.06508	10.9
121.10160	42.4
123.08050	12.6
123.11703	10.3
125.09653	5.6
128.06204	8.6
129.07008	15.6
130.07782	4.4
131.08569	49.3
131.84792	4.0
133.10132	76.8
135.08063	13.0
135.11682	14.4
137.09637	5.6
137.63042	3.1
141.07043	5.3
142.07805	10.0
143.08580	31.4
144.09323	3.5
145.06483	3.6
145.10136	59.4
147.08018	9.7
147.11687	31.4
149.09590	21.3
149.13298	5.1
151.11159	6.8
153.09155	3.8
155.08609	15.2
156.09344	7.8
157.10130	38.4
158.11037	4.5
159.11700	39.0
161.09619	11.9
161.13254	19.7
163.11171	7.9
168.09387	4.1
169.10129	24.5
171.11661	26.2
173.09584	4.1
173.13252	28.2
175.11169	10.8
175.14781	3.5
177.12752	5.4
179.08725	4.0
179.10809	3.4
181.10089	10.5
182.10988	3.8
183.11732	22.4
184.12543	3.9
185.13248	14.3
186.10393	3.6
187.11203	13.7
187.14862	9.8
189.12769	6.9
191.10774	3.5
195.11694	7.4
196.12328	4.1
197.13242	14.2
199.14824	21.0
201.12747	11.3
201.16385	4.2
203.14310	4.9
209.13303	9.9
211.14757	6.0
213.16379	10.7
215.14386	4.1
215.17961	10.1
217.15849	5.0
222.14114	3.2
223.14822	9.3
225.16380	23.8
227.14337	6.5
227.18015	8.9
241.15842	6.9
243.17395	18.6
253.19623	3.6
255.21135	12.0
257.19034	3.2
265.19455	11.1
271.20511	5.5
273.22159	6.6
283.20618	32.4
301.21643	43.2
302.22000	5.3
319.09390	4.0
319.22906	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.96566	97.2
67.05501	2.1
70.02972	1.3
71.46568	1.2
71.47630	0.9
71.95265	3.7
72.90934	1.0
72.96042	3.2
74.97629	1.5
79.05478	1.2
81.07050	2.0
82.27573	1.0
83.04993	1.2
91.05479	2.6
92.12341	1.0
93.07052	1.9
95.04952	1.1
95.08585	2.2
97.96809	1.0
98.97563	1.1
100.51189	1.2
103.52212	1.0
105.00165	3.4
105.07040	2.3
107.04874	1.1
107.08616	2.9
109.10183	1.3
110.97582	2.8
115.97882	1.2
119.01686	2.4
119.08609	1.5
122.10519	1.1
123.01222	3.1
128.98634	2.5
137.02737	5.6
139.00679	2.8
141.02229	3.0
143.08667	1.0
145.10081	1.2
146.99651	1.1
151.00677	3.6
151.04291	1.6
153.02225	2.6
155.03836	5.8
157.01733	2.8
165.02246	2.2
167.03848	4.7
169.01741	6.4
171.03308	3.9
173.04868	3.4
175.02899	1.4
178.33673	1.0
179.03810	1.5
179.07509	1.1
181.01775	1.3
182.02423	1.0
183.03322	5.7
185.04852	26.9
185.06378	1.9
187.02786	4.6
189.04378	2.8
193.05322	1.1
195.06985	2.3
197.04816	3.8
197.08452	2.5
199.06398	1.6
200.03702	1.1
201.04382	5.8
203.05899	30.0
203.07779	1.8
205.05380	1.9
207.10625	1.3
208.06453	3.2
211.06511	2.1
217.16023	1.0
221.06883	4.0
223.06538	3.0
226.07460	1.4
233.08524	3.0
233.18985	3.5
235.10023	12.0
237.08339	1.2
241.07475	4.0
249.07961	1.8
251.09520	4.0
253.11122	70.3
254.11516	2.9
259.08524	2.1
261.08029	4.3
269.10526	1.3
271.12155	36.3
272.12689	1.6
276.12689	5.9
279.09024	29.4
280.09189	1.5
294.13742	1.8
297.10080	99.5
298.10410	3.9
302.10614	1.7
315.11130	100.0
316.11450	5.6
320.11847	10.5
320.18564	2.8
320.22342	1.4
320.25906	4.7
321.07617	1.2
321.16760	3.2
333.12173	1.9
338.12836	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71706	0.8
56.96563	47.7
62.06078	1.0
64.32797	0.8
67.05502	2.2
71.07091	1.0
71.95251	1.4
72.96029	1.4
79.05504	1.7
81.07050	2.0
85.64419	0.8
89.79059	0.9
91.05474	1.9
93.07030	1.6
95.08592	1.3
98.97574	5.4
105.00173	1.2
105.07015	1.6
107.08571	2.9
109.10184	0.9
110.97582	1.3
116.98626	4.3
119.01707	1.7
119.08577	1.7
121.10222	0.8
123.01193	1.4
128.98599	1.0
133.10129	1.8
134.99644	1.3
135.08035	1.0
137.02748	3.7
138.08897	1.1
145.10225	1.3
146.99573	1.0
151.00667	3.3
153.02252	1.1
155.03795	1.8
159.08357	1.0
167.03722	4.9
169.01653	4.5
171.03236	1.2
182.02333	1.1
183.03349	4.0
185.04846	19.3
187.02751	3.3
189.04253	1.0
194.72226	1.1
195.03267	1.1
197.04909	1.3
199.06433	3.4
199.47438	0.9
201.04475	1.6
203.05898	29.1
207.06929	1.0
208.06520	1.8
217.07477	3.8
221.06982	3.9
223.06445	3.3
226.07532	1.5
233.08510	1.7
234.25760	0.9
235.06468	1.0
235.10193	1.8
241.05312	1.0
249.08145	1.9
251.09618	4.8
253.08684	0.7
253.11110	16.2
254.11365	1.2
259.06369	1.3
261.08005	2.8
263.55591	0.9
269.10519	1.6
271.12152	11.8
276.12695	2.0
279.09058	16.4
279.11932	0.8
297.10074	100.0
298.10452	3.6
315.11124	57.1
316.11560	3.1
320.11722	14.0
320.15381	0.7
320.18790	1.8
320.22339	2.6
320.25864	5.9
321.07602	1.3
321.12817	1.5
321.16727	18.3
321.20465	1.0
338.12720	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75965	1.2
54.63791	1.4
55.01881	2.2
56.05033	1.4
56.96557	8.8
57.03463	1.7
57.79396	1.2
58.06563	1.5
59.12643	1.5
60.04528	6.4
61.02922	5.0
69.03421	8.0
69.07063	4.2
70.06590	4.4
70.14550	1.7
70.14863	2.2
72.08150	3.0
73.02910	2.3
74.06103	1.3
81.03412	9.9
84.04514	1.7
84.08140	5.7
84.96021	1.7
85.02899	42.4
86.09702	19.5
87.04482	1.7
91.03949	2.5
97.02892	9.5
98.97578	20.8
102.05542	1.5
104.05346	2.3
107.04965	3.4
109.02874	90.6
110.03159	1.7
110.97540	2.7
112.07649	1.3
116.07092	1.4
116.98618	10.6
118.08680	1.4
123.04416	8.6
127.03931	5.8
128.10742	1.9
128.98607	2.7
134.99661	2.0
140.07059	5.4
141.05458	100.0
142.05809	2.1
143.00142	1.5
145.04958	12.2
158.08134	7.1
158.99744	1.8
160.07587	6.0
173.12871	21.3
177.00720	2.1
177.05492	3.4
180.08681	3.3
188.05490	2.5
189.00717	1.6
193.01448	1.5
201.12343	7.3
207.06497	1.9
216.98750	2.3
219.01839	2.7
222.04633	1.5
234.99356	4.5
237.02623	3.3
251.31981	1.2
254.93332	1.6
259.99826	1.6
268.38568	1.4
272.94470	3.1
278.96875	2.3
279.00485	1.7
279.07370	6.8
302.13510	1.8
320.10156	7.7
320.14133	5.2
320.18250	1.5
321.08496	9.3
338.09375	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0762
Annotation	19-Hydroxytetrangulol
Peak:m/z	Relative Intensity
55.01870	0.4
55.05500	1.1
59.04988	0.4
67.05495	1.2
69.03419	0.4
69.07052	0.9
70.06585	0.4
71.04972	0.5
73.57738	0.4
74.12017	0.3
75.14252	0.3
79.05488	0.8
81.07053	1.7
83.08633	0.5
85.06516	0.5
90.29590	0.3
91.05477	1.1
93.07032	1.6
95.04960	0.7
95.08589	1.6
97.06520	0.5
99.24357	0.4
101.53347	0.3
105.07021	1.3
107.08565	1.0
109.06522	0.6
109.10155	0.8
118.70617	0.3
119.08558	0.8
121.10154	0.9
123.08035	0.4
131.08594	0.8
133.10138	0.8
135.04347	0.3
135.08051	0.7
135.11671	0.5
137.09576	0.5
147.11740	0.5
149.09660	0.4
151.07527	0.5
151.09880	0.3
159.11697	0.4
161.09595	0.5
165.07011	0.8
175.14833	0.4
176.06190	2.5
177.05502	0.7
177.07004	9.8
178.07797	1.8
179.08586	2.9
187.05402	0.4
189.07010	3.9
192.13889	0.5
193.06424	0.7
195.08022	0.5
205.06490	39.4
206.06911	2.5
207.08002	2.2
209.05916	0.9
217.06491	3.4
218.07114	0.6
219.08037	1.0
221.06027	0.8
222.06609	0.5
233.05983	18.3
234.06477	1.1
235.07536	100.0
236.07884	4.3
245.05957	3.9
246.06786	1.2
247.07579	3.8
249.05524	0.9
261.05496	5.3
262.06180	1.3
263.07047	89.1
264.07394	4.1
273.05466	1.8
275.07068	4.3
276.07498	0.4
277.05002	0.4
291.06540	22.3
292.06946	1.5
293.08084	33.1
294.08405	1.9
301.04834	0.5
303.06516	83.2
304.06857	4.5
320.25735	2.7
321.07556	42.9
321.16605	3.9
321.20361	1.1
321.25964	0.9
322.07846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.111
Annotation	Betulinan A
Peak:m/z	Relative Intensity
57.07073	0.2
58.07403	0.1
69.07080	0.1
69.66739	0.1
70.06583	0.4
71.06924	0.2
71.08636	0.1
75.04452	0.1
82.37825	0.1
83.22025	0.1
88.07626	0.5
89.07950	0.1
95.08606	0.0
102.09170	0.2
103.09488	0.1
109.72737	0.0
128.06221	0.1
135.04446	0.2
139.47690	0.0
153.06839	0.1
157.35059	0.1
163.73305	0.1
165.06993	0.2
176.06294	0.1
177.07004	0.2
178.07684	0.1
179.08525	0.1
181.06496	0.1
185.06081	0.1
189.06941	1.1
189.08595	0.1
190.07751	0.8
191.08559	1.1
192.05704	0.0
192.09253	0.5
194.07341	0.1
195.08063	0.1
200.06332	0.1
201.07008	0.3
202.07765	3.4
203.08527	1.5
204.09201	0.3
205.06491	1.8
205.08426	0.1
205.09943	0.1
206.07120	0.3
207.08044	0.5
208.08679	0.1
209.05817	0.1
215.08521	0.2
216.05756	0.1
217.06480	1.1
218.05536	0.0
218.07248	1.8
219.08032	6.2
220.08775	3.0
221.05957	0.1
221.09521	0.4
222.06746	0.2
229.06267	0.2
230.07237	2.1
231.08005	2.2
232.08812	2.7
233.05989	2.1
233.09398	0.4
234.06676	0.5
234.10449	0.1
235.07512	1.6
235.11154	0.1
236.08008	0.2
244.05154	0.1
245.05978	1.0
245.08540	0.1
245.09595	0.1
246.06775	1.4
247.07523	5.6
248.08278	5.3
249.05450	0.1
249.09015	1.5
250.09871	0.4
251.10431	0.1
256.26367	0.2
257.05777	0.1
257.26740	0.3
258.06750	1.0
258.27008	0.9
259.07504	2.1
259.27298	0.2
260.08301	3.2
261.05487	1.1
261.08994	0.9
262.06314	0.4
262.09842	0.2
263.07050	2.0
263.10654	2.0
264.07541	0.3
264.10959	0.2
271.07629	0.1
273.05429	0.2
274.06219	0.8
275.07010	4.8
276.07764	3.9
276.10944	0.1
277.08572	9.4
278.09250	2.5
279.09607	0.1
287.06845	0.3
288.07785	1.4
289.08557	2.2
290.05734	0.3
290.09274	0.9
291.06519	3.6
291.10120	2.6
292.07120	0.8
292.10605	0.1
293.07861	0.1
293.11633	0.5
294.12195	0.1
302.29492	0.1
303.06323	0.1
305.08063	2.6
306.08783	1.4
307.09265	0.1
320.30627	3.0
321.11179	100.0
321.30591	0.7
322.11523	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46913	0.4
52.24023	0.4
57.18522	0.4
57.40849	0.4
67.05495	1.3
69.07063	0.9
69.16764	2.2
70.03322	0.4
79.05479	1.0
81.03394	0.5
86.09702	3.3
91.05484	2.3
93.07026	1.4
95.08575	1.3
105.07011	1.3
107.08598	1.1
115.05426	2.2
117.05737	0.6
117.07023	4.3
118.06541	48.4
119.07441	2.7
130.06543	1.1
131.08549	1.1
132.08076	0.8
132.10185	0.7
134.09648	100.0
135.10008	2.5
142.06511	4.5
143.07301	5.0
144.04420	1.0
144.08084	22.1
145.08415	0.9
145.10106	1.1
146.06003	98.4
147.06351	2.8
149.09604	1.6
155.05969	1.0
160.07590	1.5
170.05983	7.7
174.09126	1.0
188.07062	98.2
189.07411	3.7
192.10175	2.3
275.00189	0.5
276.19550	1.8
321.07416	0.8
321.15982	15.9
322.16284	1.2
322.20126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54292	0.5
55.05508	1.4
57.03416	0.5
67.05505	0.6
69.07069	0.6
69.31464	1.9
69.31870	0.8
78.26911	0.5
79.05474	1.2
81.07045	2.0
82.86531	0.5
83.04983	0.7
91.05480	1.5
93.07046	1.9
95.08592	1.5
97.06522	0.6
105.07015	1.3
107.08586	1.5
109.06493	0.9
109.10144	0.5
117.24314	0.6
119.08572	1.6
121.10178	1.0
131.08595	0.7
133.10100	1.1
135.11618	0.6
143.08511	0.5
145.10168	1.0
154.63391	0.6
157.10120	0.6
186.21849	0.6
187.14735	0.7
235.03899	0.7
236.12663	0.7
269.65265	0.5
283.77640	0.6
298.10361	0.7
303.15942	1.2
303.19501	0.7
321.03976	1.9
321.16714	100.0
322.16998	7.2
322.20383	0.9
322.27332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
60.04517	1.4
66.44906	0.7
67.05509	1.7
69.03449	0.9
69.07069	1.2
69.58208	2.0
70.06621	1.2
79.05485	2.5
81.03439	0.7
81.07054	2.4
86.09704	100.0
87.10016	1.8
91.05484	2.4
93.07030	3.2
95.04962	1.4
95.08583	2.8
97.06563	0.8
98.23619	0.7
103.05444	4.1
105.07037	1.9
107.04954	1.7
107.08577	1.9
109.06505	0.9
109.10139	1.9
111.82802	0.7
119.08560	2.2
120.08102	97.6
121.08447	2.8
121.10122	1.3
125.09614	0.9
128.10713	53.7
129.11082	0.9
131.04939	2.2
131.08603	1.3
132.10143	0.8
133.10120	1.0
135.11728	0.9
145.10106	2.1
147.11649	1.1
149.05966	1.7
156.10185	15.7
157.10258	1.1
166.08636	66.7
167.08948	2.0
177.05466	1.0
188.88797	0.8
230.21115	1.7
263.06934	1.6
277.08313	0.7
278.09283	0.8
291.06485	1.0
303.76312	0.7
314.85547	0.7
321.07437	4.1
321.11136	7.2
321.16791	2.1
322.20020	1.1
322.25998	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03934	2.6
55.01867	3.5
55.05507	31.3
57.03432	6.2
57.07060	1.0
59.04995	2.6
62.06075	1.4
65.03928	2.0
67.05499	25.0
69.03415	3.5
69.07072	9.2
69.21474	1.6
69.21874	2.9
71.04981	5.5
71.08594	0.7
73.06538	1.9
77.03889	0.8
77.24500	0.9
79.05486	28.5
80.94841	1.8
81.03397	2.4
81.06554	1.4
81.07047	21.7
83.04975	3.8
83.08616	11.3
85.06516	1.4
91.05473	31.4
93.03394	2.1
93.07039	22.0
95.04969	5.8
95.08595	11.2
97.06507	6.9
97.10163	20.9
101.09670	0.8
103.05466	2.2
104.99285	0.9
105.03365	1.2
105.04499	0.7
105.07025	26.4
106.66235	0.8
107.04939	4.5
107.08585	18.9
109.06522	7.1
109.10149	5.4
111.08091	2.8
115.05424	2.9
117.07004	13.6
119.05030	0.7
119.08573	23.0
121.06522	4.5
121.10130	5.7
123.08074	5.7
123.11685	1.1
125.05976	12.7
125.09621	17.4
126.06722	0.9
127.07569	1.6
128.06207	2.9
129.06998	6.7
130.07777	0.9
131.08551	15.9
133.06470	2.6
133.10130	8.7
135.08032	13.3
135.11668	3.2
137.09659	3.8
139.07529	6.2
141.06993	2.9
142.07791	1.3
143.08539	9.6
145.06464	2.5
145.10124	8.1
147.08060	5.1
147.11674	3.2
149.09584	7.3
151.07500	1.1
151.11125	4.6
153.09079	2.4
153.12688	1.2
155.08560	5.4
157.10117	4.3
159.08084	5.2
159.11690	2.9
161.09645	3.8
161.13277	1.7
163.07516	2.0
163.11162	1.7
165.09140	2.6
166.07729	1.1
169.10060	2.8
171.11613	4.3
173.09605	3.5
173.11830	0.8
173.13283	0.9
175.14861	0.8
177.07007	2.0
177.09140	1.2
177.12787	1.1
179.10747	2.1
181.10164	1.1
183.11679	2.2
185.13290	1.9
187.11140	1.9
187.14813	1.5
189.06976	1.3
189.11192	5.8
191.08427	0.9
191.10655	1.0
192.08902	1.1
197.13226	2.3
203.12737	1.3
205.06451	4.6
207.08063	1.3
207.11722	1.1
215.14326	1.9
219.08063	2.9
220.08743	1.1
231.08115	0.9
232.08705	1.1
233.06145	1.7
234.06689	0.9
235.07477	12.2
243.17291	1.3
246.06676	0.9
247.07565	2.7
247.16933	3.2
248.08076	3.0
257.18954	1.5
260.08374	1.2
261.18631	1.6
263.06995	13.9
263.09842	1.3
263.16620	1.2
263.90329	1.0
264.07504	1.8
265.04959	1.5
265.18018	2.2
267.17328	1.4
271.17017	2.1
275.06976	2.4
275.20068	2.2
276.07700	1.9
277.08563	3.1
278.05692	1.4
278.09216	2.1
285.18573	3.8
289.08481	1.0
289.17966	6.6
290.09354	2.7
291.06512	2.7
291.09769	1.3
293.08017	3.7
293.21051	1.8
303.19492	7.6
303.22980	1.9
305.07913	1.5
306.08621	3.6
320.10019	1.8
320.30524	1.4
321.07495	8.3
321.11066	36.8
321.20563	100.0
322.07919	2.0
322.11475	3.3
322.20871	5.5
322.27307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01871	9.0
55.05509	48.3
57.03436	25.9
59.04996	1.6
59.27089	1.3
62.06090	12.8
65.03929	1.2
67.05502	33.3
69.03427	4.5
69.07062	8.9
71.04982	1.4
79.05486	35.5
80.94846	1.8
81.03428	3.1
81.06615	2.6
81.07053	24.6
83.04960	7.6
83.08614	18.9
85.06562	2.3
91.05479	22.0
93.07037	20.3
95.04954	6.4
95.08598	10.1
97.06543	3.3
97.10165	41.3
99.08134	1.5
99.99724	1.3
105.04512	1.7
105.07030	12.9
107.04944	13.1
107.08580	25.7
107.09252	2.4
109.06512	8.6
109.10154	9.0
111.08083	4.8
115.05466	2.5
117.07015	10.6
119.08573	19.4
121.06465	7.6
121.10155	6.0
123.08054	6.2
125.09623	45.2
129.07004	3.6
131.04947	2.3
131.08589	9.1
131.09421	1.6
133.06509	3.3
133.10144	4.7
135.04393	2.6
135.08044	24.3
135.11694	2.2
137.09598	6.1
141.07030	2.4
143.08534	4.8
145.06465	3.4
145.10115	4.8
146.58260	1.4
147.07991	6.6
147.11665	1.9
149.09596	1.9
149.13287	2.8
151.07535	1.7
151.11148	2.7
153.09108	12.1
155.08536	3.9
157.10146	2.0
157.12227	2.0
159.08041	38.4
159.11699	3.9
160.08780	2.8
161.09589	3.9
163.07550	5.1
163.11159	2.2
169.10051	2.8
171.10196	3.2
171.11607	3.3
173.09618	4.9
177.09102	3.3
183.11769	2.9
185.09625	5.6
187.14813	2.7
189.12756	2.3
197.13290	2.2
203.12791	21.4
215.14296	6.6
215.17882	2.2
225.16281	1.7
233.15331	15.4
243.17424	3.7
253.15977	7.7
261.18542	2.9
271.16904	25.8
272.17297	1.8
289.17972	100.0
290.18323	7.5
303.19696	1.4
303.23077	2.0
321.07581	3.6
321.11127	8.8
321.20514	8.2
321.24393	5.8
322.27277	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.93611	0.6
55.01878	1.2
55.05508	5.6
57.07069	2.9
61.83701	0.5
67.05499	4.3
69.03423	0.5
69.07068	5.9
69.45657	2.5
69.45939	0.5
71.04984	1.3
71.07816	0.5
71.08266	0.5
71.08629	2.6
79.05492	3.4
79.05875	0.5
81.07056	8.6
83.04956	0.7
83.08607	1.8
85.06512	1.3
91.05460	2.5
93.07052	4.6
95.04974	1.3
95.08608	9.3
97.06561	1.0
97.10154	1.4
99.08074	1.5
105.07014	2.2
107.04933	0.7
107.08587	4.3
109.06516	14.4
109.10147	2.9
111.08073	2.0
111.11771	0.5
117.07005	0.9
119.08564	4.3
121.10134	4.0
122.07267	1.8
123.08063	44.3
123.11693	0.7
124.08353	0.8
130.90578	0.6
131.08569	1.4
133.10123	1.1
135.08031	4.8
135.11647	1.0
136.08795	0.7
137.09595	2.6
139.11186	0.9
145.10139	1.5
147.11641	1.3
149.09622	1.4
149.13147	0.7
151.11200	0.5
159.11723	1.2
161.09695	0.6
161.13153	1.1
165.12737	0.7
167.14345	0.8
177.12566	0.6
179.14299	62.6
180.14680	2.5
187.14868	0.7
193.12238	1.5
193.15894	1.8
205.15880	0.8
237.11198	0.8
247.16925	0.8
248.07024	8.5
248.17278	0.6
261.21954	1.2
265.05063	0.7
265.17993	13.6
266.08127	8.7
279.19492	0.7
289.17892	1.5
303.23178	3.3
321.24213	100.0
322.14343	3.2
322.24521	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2428
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03938	5.2
55.01868	6.8
55.05260	1.9
55.05513	32.1
57.03431	5.1
57.07076	4.0
59.05029	1.4
62.06096	1.8
65.03929	1.5
67.05509	49.1
69.03450	3.0
69.07072	39.7
69.59962	1.5
69.60285	6.5
71.04978	4.3
79.05497	44.4
81.03417	4.9
81.07059	100.0
82.07398	2.3
83.04974	6.5
83.08624	17.2
85.06543	2.2
91.05479	37.0
93.07048	38.9
95.04977	19.3
95.08611	48.0
97.06538	7.3
97.10174	8.8
98.23041	5.3
99.08094	2.5
105.06359	2.2
105.07033	37.8
107.04949	6.0
107.08599	25.5
109.06522	19.8
109.10167	23.8
111.04449	1.8
111.08086	6.9
116.26791	1.5
117.07030	9.8
119.08584	38.9
119.62836	1.5
121.06524	3.4
121.10149	16.0
123.04506	1.5
123.08074	19.9
123.11713	5.8
125.09621	3.8
128.06172	1.7
129.07050	2.6
131.08569	13.2
133.06480	1.9
133.10139	22.4
135.08041	6.3
135.11671	9.5
137.09592	12.0
143.08496	2.4
145.10117	12.1
147.11702	15.0
149.05959	1.9
149.09625	3.5
149.13287	4.7
151.11171	4.7
151.14919	1.7
157.10112	3.2
157.48442	1.6
159.11684	9.0
161.13205	8.7
163.11163	2.1
167.10609	1.7
171.11678	2.6
173.13130	3.8
175.14816	6.3
177.12740	2.9
179.14320	6.3
185.13333	2.7
193.15927	2.8
221.15427	4.7
221.75682	1.7
233.15385	2.0
261.18564	1.9
265.18048	2.3
271.16989	1.9
275.23685	6.5
285.22144	8.1
289.17935	10.6
303.19815	3.8
303.23163	66.7
304.23450	3.8
321.07608	2.9
321.11124	12.0
321.17535	1.8
321.20651	2.9
321.24158	45.2
322.27390	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2428
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03944	1.0
55.01866	1.5
55.05513	14.8
57.03426	2.4
57.07067	3.6
65.56575	0.9
67.05511	11.6
69.03421	2.0
69.07073	7.0
70.06603	1.2
71.04978	1.6
79.05496	11.9
80.94827	1.0
81.07066	13.4
83.04976	4.1
83.08619	5.4
85.06565	2.2
91.05487	9.6
93.07040	11.6
93.47262	0.9
95.04956	3.1
95.08617	14.3
97.06525	2.5
97.10172	6.6
105.03390	0.9
105.07038	8.3
105.99895	0.9
107.04955	2.1
107.08601	23.5
108.08990	0.9
109.06512	3.8
109.10161	6.3
111.08069	1.5
115.05463	1.1
117.07011	1.8
119.08587	17.2
121.06500	3.6
121.09370	1.1
121.10160	8.5
123.08060	7.4
123.11700	3.0
125.09633	6.3
129.07014	1.2
131.08569	3.2
133.10132	8.2
135.08055	11.8
135.11676	3.0
136.08830	2.0
137.09618	4.9
137.13248	2.0
143.08617	1.5
145.10132	5.2
147.11700	3.7
149.09624	7.2
149.13264	3.0
151.11229	1.0
153.09076	1.1
157.10150	1.5
159.11681	3.3
161.09630	2.5
161.13266	3.5
163.11201	2.5
163.14851	3.7
165.12820	1.9
169.10277	1.0
173.09666	1.6
173.13264	1.9
175.14772	2.1
177.12793	4.0
177.16417	1.0
179.14351	5.6
185.13194	1.3
187.14836	1.3
191.14320	7.6
193.12216	1.3
193.15910	1.2
197.13214	1.1
201.16536	1.6
202.07858	2.1
203.08612	1.9
203.12738	2.7
203.14392	1.0
203.18091	1.1
205.06511	2.5
205.15903	1.1
207.04430	1.4
211.14891	1.1
215.14359	1.1
219.08061	2.7
219.17464	1.0
220.08853	1.6
229.15854	1.0
230.07349	1.1
231.07967	1.0
232.08910	1.6
233.06071	1.8
235.03911	3.6
235.07513	6.4
243.17413	1.0
247.07631	1.5
248.08301	3.4
249.09064	0.8
254.64087	0.9
257.22610	1.2
257.26694	1.5
258.26981	1.0
259.07935	1.3
259.27393	1.7
260.08328	1.2
263.07083	5.0
263.10529	0.8
265.05441	1.1
267.06445	1.9
267.20932	1.0
271.16724	1.1
275.06924	2.5
275.20590	1.3
275.23706	13.6
276.07819	1.4
277.08618	4.8
278.09451	2.0
285.22083	3.3
289.08554	1.7
289.17975	6.3
291.06497	2.3
293.08157	1.2
293.11871	1.1
303.23199	100.0
304.23563	7.6
305.08109	1.5
306.08975	1.0
321.04303	8.0
321.07819	3.6
321.11203	64.5
321.20432	5.9
321.24234	16.2
321.30783	9.3
322.04230	1.4
322.11508	6.7
322.24103	1.6
339.04843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.1
66.66272	0.1
69.51498	0.4
75.79391	0.1
77.24130	0.1
82.99865	0.2
98.22685	0.1
98.97579	1.4
101.00860	0.3
116.98602	0.6
119.01891	0.5
122.97016	0.1
122.97859	0.3
123.98580	0.2
134.99693	0.3
137.02916	0.1
140.98833	0.3
141.99643	0.1
149.85321	0.1
158.99883	1.2
160.04559	0.1
177.00945	9.9
178.01050	0.9
180.17529	0.1
182.99803	2.3
183.99974	0.1
194.98267	0.1
195.02010	0.1
196.94507	0.2
201.00920	8.3
202.01021	0.7
202.93521	0.2
214.95622	0.6
216.98679	0.2
218.03554	0.5
219.01993	100.0
220.02103	9.8
220.94472	0.1
221.02359	0.6
224.02585	0.3
232.93019	0.1
232.96640	0.3
234.99554	0.1
236.99576	0.3
237.03029	0.2
237.97203	0.3
238.95540	1.9
239.95631	0.2
240.98779	0.1
242.03587	4.6
243.03769	0.4
256.96609	7.5
257.96680	0.8
258.99741	0.9
260.00101	0.2
260.04599	0.5
261.00143	0.2
261.03088	0.8
261.97208	0.2
262.03198	0.2
262.95422	0.6
263.95517	0.1
265.05325	0.1
274.94165	0.4
274.97699	1.8
275.00430	0.2
276.04538	0.3
277.00839	0.7
278.01212	0.1
279.98221	1.3
280.96487	2.2
281.96661	0.2
282.99814	0.1
292.95074	0.1
294.27240	0.1
295.37622	0.1
297.99222	0.5
298.18567	0.3
298.97659	41.0
299.18817	0.2
299.97769	4.1
300.97934	0.2
301.01068	0.2
303.98206	0.3
309.01303	0.1
316.19626	0.1
316.95117	0.3
316.98730	0.5
317.92877	0.2
321.99268	5.3
322.99515	0.3
335.93845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2012
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03957	0.4
55.05501	1.0
56.05020	0.4
62.65245	0.3
67.05503	4.6
68.05030	2.3
69.07061	1.1
69.36648	1.6
70.06591	10.1
71.04974	0.4
74.02432	0.5
79.05492	3.8
80.05003	1.1
81.07053	4.3
81.47105	0.3
83.05004	0.4
84.08140	0.3
88.03983	0.3
91.05469	2.5
93.05787	1.2
93.07048	2.8
94.06570	1.2
95.08595	2.5
100.07597	1.8
105.07030	1.7
106.06557	3.6
107.07412	0.4
107.08578	1.1
108.08117	1.6
114.05521	3.8
116.07052	0.5
116.16906	0.3
117.06996	1.1
118.06503	0.8
119.07306	0.5
119.08580	1.0
120.08087	4.4
121.10117	0.7
122.09650	0.9
123.11608	0.3
128.07040	1.9
131.07217	0.3
131.08556	1.0
132.08118	0.7
133.08908	0.8
134.09641	9.5
135.10451	1.8
136.11230	0.4
137.04749	0.7
140.07060	0.4
143.00256	0.3
146.09657	0.9
146.15038	0.3
147.11678	0.3
148.11200	8.6
152.07043	0.8
152.10771	0.6
154.08640	1.1
160.11223	0.6
162.12732	0.3
164.07054	8.0
165.07773	0.6
166.08655	0.9
178.08624	2.9
179.09386	1.1
180.10178	15.7
181.10555	0.5
192.10211	0.7
193.10992	0.7
194.08151	0.8
194.11749	0.7
195.49539	0.3
230.18979	0.7
258.18481	2.2
258.99893	0.3
274.17871	0.5
276.19571	8.7
277.19876	0.6
302.17484	1.3
304.19049	17.3
305.19400	1.3
308.57300	0.3
320.18460	0.5
322.20102	100.0
323.20453	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01359	0.3
55.05509	1.5
55.97741	0.3
56.05043	0.5
57.03442	0.3
65.03947	0.5
67.05510	4.4
68.05038	2.4
69.07075	1.5
70.06596	10.2
71.05008	0.4
79.05504	4.2
80.05025	1.2
80.06257	0.4
81.07068	3.9
82.06619	0.4
83.08614	0.5
84.08177	0.4
85.06543	0.3
86.09734	1.5
86.47482	0.3
91.05469	2.3
93.05782	1.3
93.07049	3.4
94.06570	1.4
95.04973	0.5
95.08630	2.2
100.07635	2.0
101.58633	0.3
105.07050	1.9
106.06555	2.8
107.07341	0.6
107.08598	1.5
108.08135	2.3
109.06497	0.5
114.05555	3.5
115.58428	0.3
117.07047	1.0
118.06567	0.7
119.07356	0.5
119.08595	0.9
120.08099	3.9
121.06495	0.4
121.10176	0.9
122.09666	0.9
128.07082	2.1
131.08591	1.1
132.08145	0.8
132.10179	0.6
133.08887	0.6
134.09668	7.7
135.10410	1.3
135.11427	0.3
136.11234	0.4
137.04732	0.3
145.10136	0.6
146.09663	0.6
147.11679	0.5
148.11209	8.1
149.09604	1.9
152.07062	0.5
152.10803	0.4
154.08621	1.1
162.12730	0.5
163.11092	0.3
164.07076	7.5
165.07869	0.6
166.08672	1.0
177.07880	0.3
178.08646	2.9
179.09433	0.9
180.10213	14.5
180.11821	0.7
191.14363	0.4
192.10196	0.6
193.10971	0.5
194.08160	0.5
194.11803	1.1
230.19000	0.5
255.87668	0.3
258.18582	2.2
262.06622	0.3
274.18054	0.4
276.19595	8.5
286.18021	0.3
291.10052	0.3
294.20734	0.5
302.17545	1.2
304.19098	17.2
305.19412	0.9
310.63623	0.3
322.20142	100.0
323.20523	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89723	0.7
53.55342	0.6
55.01886	1.0
55.05513	7.5
57.07072	3.8
60.04529	1.6
62.06094	100.0
65.03928	0.8
67.05507	28.7
69.07071	9.4
69.19382	0.7
69.79502	2.1
70.02955	4.8
71.08633	2.0
79.05499	15.6
81.07063	21.1
81.20341	0.8
83.04992	1.0
83.08620	4.6
85.10195	2.1
86.06072	2.6
88.04014	2.4
89.06040	2.2
91.05486	7.4
91.18956	0.7
93.07051	18.3
95.04994	2.6
95.08612	19.8
97.06552	1.5
97.10174	1.4
98.06117	0.7
98.97610	0.8
99.04475	1.1
99.08126	0.8
105.07043	5.8
107.08593	9.2
109.06571	0.9
109.10165	7.9
117.07043	2.5
119.08599	4.0
121.10154	9.8
121.10971	0.9
123.11732	2.4
130.08665	0.9
131.08566	3.6
133.10146	2.4
135.08066	2.3
135.11688	5.0
137.09657	1.0
137.13290	2.3
144.10197	0.7
145.10178	2.6
147.11681	1.2
149.09660	2.1
149.13268	2.1
151.09752	1.7
151.11217	1.0
159.11761	2.1
161.13261	1.2
162.45691	0.6
163.11226	0.8
165.12790	1.0
166.13190	1.0
173.13318	2.2
175.14940	0.8
177.16437	1.6
182.11758	0.9
184.13327	1.0
187.14871	0.7
210.14915	0.7
217.19560	1.1
219.21095	5.6
232.10510	0.8
233.22626	0.9
243.21002	4.6
249.74516	0.7
254.47977	1.0
258.99854	1.2
261.22171	6.9
277.00955	0.7
304.23080	1.4
304.26395	2.4
322.24219	1.8
322.27463	26.7
323.27786	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03945	0.4
55.01866	0.5
55.05513	4.4
57.03437	0.3
57.07071	0.9
60.04520	0.9
62.06087	100.0
63.06432	0.6
65.03944	0.3
67.05502	17.1
69.03443	0.5
69.07065	4.2
69.73323	0.8
70.02961	0.4
71.04967	0.3
77.03960	0.3
79.05489	10.7
80.05832	0.3
81.07054	15.3
82.07384	0.5
83.04989	0.4
83.08619	1.9
85.06575	0.3
89.86075	0.3
91.05480	5.3
93.06445	0.6
93.07041	11.5
94.07383	0.4
95.04990	0.9
95.08604	11.8
96.08926	0.3
97.06547	0.7
97.10175	1.2
98.06068	0.7
99.08127	0.4
105.04544	0.5
105.07028	2.6
107.08580	6.1
107.09245	0.4
109.10153	5.7
111.11735	0.4
117.07027	1.3
119.08562	2.4
121.10143	4.9
123.08042	0.5
123.11700	2.4
125.09635	1.1
131.08540	2.8
133.10104	1.9
135.11696	3.9
137.09566	0.3
137.13258	1.1
144.10211	0.6
145.10150	2.0
147.08102	0.3
147.11707	1.3
147.33304	0.3
149.13239	2.3
151.14899	0.4
158.11760	0.6
159.11647	1.4
159.81175	0.3
161.13280	1.0
163.11247	0.3
163.14857	1.1
171.01564	0.3
173.13258	1.3
175.14807	0.3
177.16422	1.4
186.14891	0.6
187.14813	0.6
199.52692	0.3
200.16470	0.9
202.57669	0.3
203.12865	0.4
214.18013	0.8
223.13281	0.6
226.18076	0.6
228.19650	0.5
238.18098	0.4
240.19621	0.4
243.21074	2.0
261.22186	3.3
273.18555	0.5
279.22919	0.3
284.51694	0.3
291.19492	5.7
304.26224	2.3
305.21014	1.0
305.24783	1.7
322.27386	11.7
323.27621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05500	5.4
57.07081	1.7
60.04510	1.3
62.06089	100.0
67.05506	19.8
69.07061	4.7
70.53527	2.1
71.05001	1.4
74.35146	1.0
79.05489	14.6
81.07059	16.7
83.04969	1.4
83.08628	2.3
91.05455	6.8
93.07047	14.4
95.04994	2.1
95.08611	14.5
98.22800	1.4
98.97606	6.9
99.39965	1.0
105.07005	6.2
107.08601	8.2
109.06533	1.4
109.10149	6.4
116.98632	4.1
117.06975	1.8
119.08598	3.6
121.10155	6.3
123.08080	1.8
123.11658	1.5
131.08560	3.0
133.10143	4.9
135.08014	1.9
135.11707	4.4
137.13251	1.2
145.10120	3.1
147.11739	1.4
149.02324	2.0
149.09656	1.3
149.13220	2.8
159.11693	3.0
161.13252	1.6
163.14798	2.4
164.12149	1.1
173.13274	2.0
177.16406	2.0
217.08105	1.1
243.21017	4.0
258.99780	6.8
261.22156	6.7
264.07220	1.4
277.00766	5.2
292.07016	1.3
304.26288	3.2
305.24573	2.5
314.95685	1.1
322.08035	1.8
322.11426	9.5
322.20767	2.3
322.23807	2.1
322.27353	24.5
323.21799	1.7
323.27695	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.3
57.07091	1.3
60.04524	1.5
62.06092	100.0
63.06431	0.6
67.05508	14.8
67.05868	0.8
69.07079	3.1
69.21315	3.0
70.02956	0.6
77.03955	0.5
79.05494	10.5
81.07060	16.3
83.08630	1.5
85.06554	0.7
85.10175	0.8
91.05480	4.5
93.07046	12.5
95.04974	1.0
95.08607	14.2
97.06548	0.7
97.10160	0.6
98.06024	0.7
98.97598	1.8
99.08085	0.8
99.63998	0.6
105.04504	0.6
105.07040	3.2
107.08598	7.3
109.06508	1.1
109.10156	6.6
116.98660	1.0
117.07027	1.6
119.08594	2.3
121.01147	0.5
121.10149	6.4
123.11719	2.1
130.08684	0.8
131.08574	3.3
133.10155	1.9
135.11705	3.4
137.09599	0.6
137.13220	1.2
144.10199	1.6
145.10095	2.5
147.11697	1.2
149.09610	0.6
149.13258	2.4
158.11832	0.7
159.11693	1.6
161.13260	1.3
163.14819	1.7
165.16411	0.6
172.13333	1.5
173.13301	1.6
177.09079	1.0
177.16403	3.0
186.14877	1.0
187.14775	0.8
200.16431	0.7
214.18123	0.6
226.18091	0.7
233.22739	0.5
238.17905	0.9
240.19475	0.6
242.21193	0.7
243.21063	4.2
243.46635	0.6
258.99792	1.4
261.22134	5.5
277.00919	1.7
304.26318	2.3
305.24719	1.8
322.27405	20.4
323.16327	1.1
323.27652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92638	1.3
56.96563	8.5
58.06612	1.7
69.66247	5.4
70.06587	3.9
72.08152	2.5
74.06064	1.5
75.94695	1.4
84.08138	3.7
86.09713	1.8
98.97588	100.0
110.08396	2.8
112.73795	1.5
116.98635	52.0
119.01902	3.9
120.08131	1.5
123.09184	5.6
130.12111	1.3
134.99666	16.3
140.11870	1.5
153.00743	1.9
157.03465	2.2
162.05536	1.7
165.18272	1.5
177.00969	8.7
180.97842	10.6
184.10881	2.7
185.77699	1.5
198.98923	13.7
203.02423	3.2
219.01979	20.5
220.02130	12.6
221.01894	5.4
228.10823	3.7
233.03519	12.7
235.00026	1.4
239.03993	2.6
240.98895	6.0
251.04187	1.6
258.99722	84.4
260.00046	5.2
261.02988	3.5
273.03021	5.0
277.00739	79.6
278.01093	5.1
282.96643	2.1
283.00031	2.5
299.97836	1.5
300.97757	3.2
301.02499	17.1
319.03601	5.2
322.99130	2.6
323.05933	9.5
323.17291	5.6
341.00223	2.9
341.15588	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15901	2.3
53.49077	2.4
55.01871	2.5
55.05503	4.0
56.02335	2.4
56.96564	2.9
57.03432	3.9
61.02937	4.2
65.61420	2.5
67.05503	4.2
69.03426	12.1
69.88459	2.4
70.06596	4.2
72.04482	2.5
72.08142	6.3
73.02896	2.4
81.03405	5.2
81.07037	5.4
84.04498	3.0
84.08131	20.1
85.02898	20.1
85.06521	3.5
86.09718	3.3
87.04488	3.1
93.07073	3.4
95.39634	2.5
97.02910	11.9
98.97558	6.2
109.02869	5.1
115.72585	2.5
116.98651	4.3
120.08113	7.2
127.03919	5.5
127.07509	5.7
130.05008	4.3
134.99678	3.1
136.07555	6.1
145.02821	6.3
145.08615	5.3
152.19098	2.5
158.01231	3.9
159.08467	4.0
161.02104	47.5
161.07149	3.1
162.02391	2.6
162.05489	64.5
164.07091	4.7
167.01405	2.4
177.05463	8.3
185.04199	74.3
195.06491	5.4
196.06941	15.6
198.98967	3.8
201.89177	2.8
203.05243	20.9
228.09505	5.4
258.99838	5.0
259.16684	3.4
262.10977	3.4
269.12653	3.8
270.10498	3.5
277.00815	7.5
287.14038	4.6
305.14847	5.9
322.99069	2.9
323.07266	100.0
323.11032	78.1
323.16324	4.4
323.19974	3.2
323.28040	5.1
324.07440	5.2
324.10785	10.2
336.68607	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86142	1.3
56.96568	8.6
57.03425	3.3
61.02910	2.9
67.05486	3.0
69.03426	10.6
70.06587	3.2
71.04995	3.5
71.45038	1.6
71.46381	1.4
72.08148	2.9
73.02924	2.0
79.05482	1.7
79.98005	1.4
81.03413	4.1
81.07047	4.3
84.08142	4.5
85.02901	17.2
85.06531	5.2
86.09680	2.9
88.03992	2.4
91.05489	1.5
91.81971	1.4
97.02881	8.2
97.06492	2.5
98.97581	3.0
107.08613	1.7
109.02843	1.6
109.06535	1.8
109.10162	1.8
115.07583	1.8
116.98604	2.7
125.10704	2.0
127.03912	3.4
127.07562	10.6
129.10182	2.5
135.04489	1.5
140.00214	5.2
143.01030	1.8
145.02730	2.7
145.08630	2.5
158.01276	7.0
161.02098	33.9
162.05495	10.7
168.07436	1.7
176.02232	3.5
177.05443	6.7
185.04195	57.2
186.00789	3.0
186.04471	2.3
196.06903	5.8
198.98947	1.8
203.05238	17.8
204.01805	3.4
213.63106	1.5
222.02858	2.2
228.09415	3.9
238.07942	1.8
258.99823	2.8
262.11096	2.3
270.10565	2.2
277.00824	4.1
323.07257	78.9
323.11032	100.0
323.27975	3.5
324.07693	2.4
324.10754	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	4.9
71.44715	2.3
72.08149	5.7
82.35259	2.3
84.08138	6.4
85.02892	3.6
85.06544	2.7
92.00182	2.0
98.97612	5.1
116.98644	3.5
125.10816	2.1
127.07536	2.4
129.10287	2.3
145.02858	2.7
145.08641	3.6
161.02104	12.8
168.99573	2.1
180.97824	3.5
185.04199	63.5
198.98933	5.6
211.10770	2.1
218.15848	2.2
258.99701	4.1
277.00793	4.7
323.07358	100.0
323.11102	27.7
323.20648	2.6
324.07483	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44328	0.5
54.24084	0.5
56.96578	0.6
64.97392	0.5
70.06564	0.7
75.66109	0.5
98.97585	1.0
105.19948	0.6
116.98588	1.0
121.06490	0.7
161.02119	1.3
185.04225	4.0
198.98924	0.6
221.06563	0.5
258.99768	0.7
323.07501	7.0
323.10959	100.0
324.11343	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	0.4
56.96562	2.5
62.94174	0.4
67.05492	1.0
69.03417	0.6
69.75244	1.2
69.75600	0.8
70.06596	0.5
72.08129	0.8
73.66074	0.5
79.05491	0.5
81.07043	2.1
84.08122	1.0
85.02888	0.9
85.06551	2.6
86.09721	0.6
93.06999	0.5
97.02882	0.7
98.22757	1.0
98.97601	1.4
99.08074	0.7
109.06504	1.1
115.07568	0.9
116.98574	0.9
117.03355	0.7
120.08067	0.8
121.10168	0.6
121.99104	0.6
127.07551	3.8
127.17372	0.5
128.07068	0.5
140.00208	1.4
145.02840	0.9
145.08623	0.9
149.05995	0.6
149.09523	0.5
158.01283	2.3
161.02155	1.2
177.05440	1.1
178.05736	0.5
185.04178	1.9
186.00714	1.1
195.06487	0.8
196.06891	1.9
203.05127	0.7
204.01694	2.3
212.02292	1.0
228.09370	0.6
258.99500	0.7
274.28311	0.5
277.00778	0.9
305.04495	0.6
323.10971	100.0
324.10852	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	Bauhinoxepin A
Peak:m/z	Relative Intensity
55.05563	0.3
57.03479	0.1
62.16640	0.1
62.34335	0.1
67.05589	0.6
67.24302	0.1
69.07153	0.2
69.29835	0.3
69.30245	0.4
77.03645	0.2
77.04026	0.2
77.24317	0.1
79.05182	0.1
79.05585	0.5
79.53072	0.1
81.07151	0.9
91.05578	0.6
93.06609	0.1
93.07132	0.4
94.90609	0.1
95.04966	0.9
95.08675	0.3
98.97664	0.3
105.03491	0.1
105.07129	0.3
107.05083	0.2
107.08646	0.3
109.06490	0.7
109.10220	0.2
113.06087	0.3
115.05671	0.1
117.07101	0.2
119.04996	0.1
119.08659	0.3
121.10249	0.2
123.08165	0.3
131.08644	0.3
133.02887	0.1
135.08160	0.4
135.11736	0.2
143.08672	0.2
145.10202	0.2
152.06186	0.2
153.07059	0.2
155.08655	0.5
159.11874	0.2
161.09660	0.1
165.06984	0.8
168.05710	0.6
177.12802	0.1
181.06525	0.2
183.08101	0.4
193.06583	0.5
194.07260	0.3
195.08228	0.1
196.05278	0.5
197.05887	0.2
199.03984	0.2
209.05997	0.4
210.06754	0.3
211.07532	8.6
212.08014	0.3
213.05531	0.2
213.39430	0.1
217.04898	0.2
221.05917	0.8
221.07816	0.1
221.15341	0.2
223.07617	0.1
237.05490	0.2
238.06221	0.2
239.07014	16.4
240.07379	0.8
248.07100	0.5
249.07434	1.7
265.04971	0.7
266.07932	0.5
267.06488	100.0
268.06854	5.0
273.18527	0.4
277.00723	0.2
291.19495	0.4
305.21140	0.1
322.24478	0.2
323.12610	6.4
324.12991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20333	0.6
52.61508	0.7
54.04217	0.8
55.05493	1.4
62.20451	0.6
67.05488	2.0
69.43294	2.9
79.05494	1.6
81.07057	1.9
83.05001	1.0
86.94279	0.8
91.05460	1.1
93.07053	1.4
95.08596	1.2
98.22873	2.3
105.07034	1.2
107.08575	1.5
119.08574	0.9
121.10185	1.0
127.40131	0.8
135.11751	1.4
179.14279	2.3
219.07869	0.7
221.68230	0.8
222.47850	0.7
232.41487	0.7
291.23209	1.2
323.19559	100.0
324.19901	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.7
55.01866	7.9
55.05510	14.1
56.96553	2.4
57.03434	4.7
57.69092	2.1
67.05502	44.8
69.03430	3.4
69.07059	8.0
69.69728	2.5
69.70065	6.8
70.06586	3.5
71.04989	6.5
79.05491	35.1
81.03412	41.2
81.07053	80.4
83.04974	7.4
83.08608	9.4
85.06535	21.9
87.35207	1.9
91.00161	2.1
91.05466	20.4
92.78698	2.1
93.07048	32.9
93.70617	1.9
95.04979	13.4
95.08604	29.2
97.06549	4.4
97.10157	5.3
98.97562	13.3
99.08101	3.3
103.05463	6.3
105.07024	22.7
107.04951	15.3
107.08585	16.8
109.02827	2.2
109.06517	58.1
109.10150	8.2
111.04448	18.7
111.08054	5.5
113.00001	4.3
115.05467	3.6
116.98608	8.4
117.07021	12.5
119.04952	2.5
119.08582	13.4
121.06524	11.1
121.10146	9.0
123.08088	16.2
125.09619	4.9
129.06987	5.5
131.04935	15.5
131.08556	15.4
133.06476	5.4
133.10114	9.4
134.99654	3.8
135.04401	5.3
135.08037	23.2
135.11694	15.0
137.06000	4.7
137.09589	12.7
139.07541	2.4
141.06973	5.2
143.04974	2.8
143.08543	5.2
145.06476	12.0
145.10130	9.1
147.08034	3.5
147.11687	3.1
149.06006	5.0
149.09602	5.2
149.13234	6.3
151.07523	3.9
157.10094	5.5
159.08081	14.2
159.11670	16.3
160.05208	5.2
161.05952	7.0
161.09615	6.8
163.07550	4.8
164.92000	2.2
165.09161	3.1
169.02647	4.1
169.10133	10.8
173.06003	3.3
175.07539	5.5
177.12752	7.6
177.30968	1.9
185.13277	3.3
187.07584	2.3
187.11162	11.3
189.09138	2.6
194.46025	2.1
195.13779	7.5
195.73991	2.1
198.98822	2.4
199.14871	2.3
205.12270	5.9
217.15839	8.9
241.14334	8.1
246.98164	2.5
253.15881	3.3
258.99698	11.4
267.06497	3.3
273.18442	20.8
277.00824	10.1
287.16513	4.3
289.17874	2.4
291.19522	100.0
292.19913	4.2
305.17444	4.5
305.20999	4.1
323.08972	3.6
323.12604	4.2
323.18280	5.5
323.22342	15.6
324.13525	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
55.05508	22.8
57.03432	12.8
59.05003	1.2
64.56985	1.0
67.00572	1.0
67.05165	1.2
67.05503	18.6
69.03407	3.5
69.07059	15.2
69.60893	3.4
76.71934	1.2
79.05483	18.1
81.03400	4.1
81.07053	24.0
83.04980	2.9
83.08623	11.7
85.06531	1.2
87.04446	1.2
91.05478	13.6
93.07039	14.0
95.04959	9.0
95.08599	12.2
97.02889	2.3
97.06519	2.9
97.10163	19.6
98.97584	3.8
99.08107	1.4
103.05442	1.1
105.07037	11.3
107.04945	4.9
107.08583	13.2
109.02888	1.3
109.06519	7.5
109.10144	4.3
111.08070	2.9
115.05466	1.5
116.98660	1.6
117.06991	6.1
119.04868	1.2
119.08578	9.4
121.06479	3.0
121.10133	5.5
123.08075	7.1
125.06046	1.6
125.09622	16.8
127.07534	6.8
128.06184	1.6
129.06952	3.0
131.08563	6.0
133.06493	3.4
133.10103	4.0
135.08080	6.0
135.11679	2.4
137.09610	1.7
139.11218	1.3
143.08562	2.3
145.10117	4.9
147.08026	4.6
147.11678	5.3
149.09576	2.7
151.11217	1.2
153.09077	2.9
157.10078	3.0
159.11667	1.9
161.09642	1.7
163.11166	1.7
165.09033	2.3
165.12802	1.4
171.10220	1.7
171.11661	2.4
173.13278	1.7
175.11110	2.8
185.13164	1.2
193.12228	2.8
197.13387	1.4
201.12709	1.8
203.12762	10.3
205.24411	1.0
223.13286	11.3
235.16920	2.2
239.06923	4.0
245.19049	3.1
249.14902	1.8
255.17361	1.8
258.99701	2.8
263.20187	1.9
267.06485	18.6
268.06805	1.4
273.18484	13.7
291.19519	100.0
292.19882	5.2
305.21103	17.8
305.24408	2.0
323.12735	1.5
323.21875	8.9
323.25452	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01871	15.7
55.05508	44.5
57.03435	9.1
57.07069	3.3
65.03935	2.9
67.05499	72.0
69.03428	7.8
69.07063	20.6
69.61369	3.6
71.04989	5.3
71.08623	4.2
73.06548	2.6
76.03173	1.3
77.03919	1.9
79.05489	49.5
81.03419	7.3
81.07052	92.9
82.07375	1.7
83.01344	4.4
83.04976	100.0
83.08608	12.6
84.05300	1.8
84.14205	1.2
84.94806	1.1
85.02900	2.0
85.06539	8.8
91.05476	48.8
93.06443	3.0
93.07037	55.7
94.07394	1.8
95.04965	19.9
95.08604	35.8
96.08908	1.3
97.02895	2.7
97.06522	10.6
97.10171	5.5
99.08112	4.5
105.04537	3.0
105.07021	50.6
107.04955	13.5
107.08050	0.7
107.08588	52.4
109.06503	13.7
109.10147	52.6
110.10452	1.3
111.04456	6.0
111.08083	11.6
115.05499	1.5
115.07572	1.5
116.98643	1.6
117.06994	11.7
119.08569	20.5
119.20939	1.1
121.06507	13.8
121.10135	17.6
123.04450	4.9
123.08045	11.3
123.11700	14.5
125.06001	4.1
125.09621	3.1
127.07539	3.6
128.06300	2.1
129.07007	8.2
131.04893	1.4
131.08553	16.3
133.06485	14.7
133.10120	85.7
134.10483	3.1
135.04425	1.8
135.08037	15.3
135.11690	9.8
137.06012	4.0
137.09618	4.5
139.07516	7.9
139.11145	1.8
141.06950	1.3
141.09084	1.7
143.08548	8.6
145.06491	2.0
145.10101	13.3
147.08051	9.5
147.11691	8.3
149.09607	17.5
149.13289	3.1
151.11169	73.7
152.11491	2.3
153.09114	3.3
157.10130	4.4
159.08064	4.6
159.11722	5.1
161.09622	13.3
161.13300	3.4
163.07536	1.2
163.11189	7.0
165.09106	5.0
165.12729	2.2
167.10675	1.8
171.11716	4.8
173.09615	2.0
173.13274	2.8
175.11214	9.8
177.09099	12.6
177.12761	3.3
179.10628	8.1
179.14270	1.8
181.08524	1.2
183.13792	25.2
183.15402	1.4
184.14059	1.5
185.13249	2.8
187.11201	3.1
189.12807	4.9
191.10651	2.3
191.14308	2.1
193.12238	10.6
195.13789	1.4
199.11209	2.9
203.10703	1.5
203.14404	2.6
207.13780	2.4
211.13300	2.0
213.12688	2.7
217.12350	2.7
223.13277	1.7
225.38002	1.3
226.40393	1.2
227.12473	1.2
227.18016	3.8
229.14343	3.5
231.17485	1.6
235.13223	2.2
237.16367	1.7
245.18985	13.9
255.17419	4.5
263.20090	11.0
273.18466	37.7
274.18787	2.4
277.00781	2.0
277.21637	2.6
291.19522	51.1
292.19901	4.5
299.17126	1.2
305.21103	20.2
306.21469	2.1
316.75128	1.2
323.22153	35.2
323.25558	2.2
324.22516	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03939	1.3
55.01874	4.3
55.05513	26.1
56.05849	0.5
57.03438	1.3
57.07067	1.1
57.21271	0.4
58.98923	0.4
59.04990	1.0
62.06079	1.0
63.39391	0.4
67.05167	0.8
67.05511	15.1
69.03427	4.1
69.06712	0.8
69.07072	16.0
71.05002	0.9
71.08630	0.9
71.22615	0.4
75.13759	0.4
79.05495	14.1
81.03417	2.8
81.07063	13.4
82.07378	0.5
83.04990	2.8
83.08620	10.8
85.06573	0.4
90.50843	0.4
91.05487	9.9
91.25130	0.4
93.07043	11.9
93.07605	0.9
94.07382	0.6
95.01298	0.6
95.04974	5.9
95.08612	7.7
97.02895	3.6
97.06519	1.5
97.10172	16.3
98.97588	1.2
99.08104	1.2
105.07028	9.3
107.04969	3.8
107.08598	11.4
108.05695	0.5
109.02863	0.8
109.06574	2.2
109.10161	3.9
111.08079	1.2
115.05437	0.4
116.06255	0.4
117.07001	3.9
119.04947	1.6
119.08585	6.8
121.06504	1.9
121.10142	3.1
123.04502	0.7
123.08064	2.8
125.09634	15.1
128.06241	0.6
129.07013	1.5
130.07788	0.9
131.08583	5.6
133.06493	2.0
133.10152	3.0
134.07249	0.7
135.08063	4.4
135.11684	2.2
136.71803	0.5
137.09624	1.8
143.08585	2.1
145.06526	0.7
145.10120	3.6
147.08061	3.0
147.11668	2.2
149.09613	1.3
149.13298	0.7
153.09088	3.1
155.08546	0.6
157.10118	1.7
157.12219	1.2
158.92482	0.4
159.08022	0.6
159.11688	1.4
161.09596	1.7
161.13319	0.5
162.10419	1.0
163.11259	1.1
165.09030	2.4
169.10153	0.8
169.12236	0.6
171.11740	1.2
173.09610	0.6
175.11191	1.8
177.12761	0.5
183.10254	0.5
185.13200	0.7
187.11111	0.5
187.13290	0.6
189.12785	0.9
193.12164	0.8
199.11099	0.5
203.12762	6.9
205.12186	1.1
221.11809	0.6
223.13290	12.4
227.18106	0.5
237.14778	2.0
245.19067	1.2
249.14806	1.7
251.03305	0.5
255.17490	1.2
258.99847	1.1
263.20044	1.2
267.06534	1.1
267.20663	1.0
273.18484	7.2
277.00790	1.0
291.19547	100.0
292.19885	6.5
295.27594	0.8
305.21106	19.9
306.21378	1.3
323.22186	2.6
323.26291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26973	3.9
53.03939	7.4
55.01868	21.0
55.05513	51.7
55.49594	4.4
56.96566	4.7
57.03436	69.0
60.02392	5.0
62.06080	5.6
67.05502	73.5
69.03425	7.9
69.07067	15.6
70.06587	5.2
71.04990	5.4
71.08626	4.8
71.45974	4.5
73.06555	11.7
75.04458	4.5
79.05486	59.2
81.07053	70.7
82.94580	7.5
83.04977	93.9
83.08619	15.7
83.71367	4.5
85.06543	13.5
90.84315	4.9
91.05473	76.0
91.06007	8.3
93.07043	90.3
95.04971	22.7
95.08597	31.9
97.06538	12.5
97.10170	30.9
98.97567	39.2
99.08048	7.3
105.04479	5.8
105.07032	68.5
107.04979	10.5
107.08581	48.6
109.06518	12.9
109.10165	66.0
111.08090	15.3
116.98590	21.9
117.07017	22.7
119.08590	31.3
121.06500	21.0
121.10140	17.9
123.08076	16.8
123.11688	8.0
125.05980	7.4
125.09620	36.1
129.07045	9.7
131.08557	31.2
133.06512	6.2
133.10123	91.0
133.11029	7.7
134.99646	11.3
135.08076	29.0
135.11708	9.8
137.09608	7.8
143.08583	8.4
145.06424	5.6
145.10156	28.9
147.08076	22.2
147.11722	11.6
149.09607	6.7
151.11166	66.5
153.09100	7.0
154.26071	4.6
157.10126	11.2
159.11742	5.9
161.09581	13.4
164.92068	8.8
169.10089	5.7
171.11697	7.4
173.13246	6.8
175.11078	8.7
175.14874	5.1
177.09290	5.7
179.10684	9.5
180.97945	4.9
183.13799	14.5
198.98840	10.0
199.14639	4.7
203.12738	16.8
204.32043	5.7
217.15872	25.1
237.16385	4.8
245.19016	13.9
253.14398	4.8
255.17520	12.6
258.99753	37.2
273.18500	100.0
277.00720	33.1
278.01300	5.2
291.19617	23.1
305.21109	21.4
318.27905	5.2
323.16196	7.5
323.21957	85.8
324.22067	5.6
324.28607	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01867	7.4
55.05511	8.9
57.03434	29.7
57.07068	2.3
58.55818	0.7
65.03932	2.0
67.05501	30.6
67.83341	0.7
69.03429	1.9
69.07070	4.4
69.25433	4.4
69.25759	1.0
71.04993	3.5
73.37029	0.6
79.05489	17.7
81.03398	1.4
81.07052	24.7
83.04971	9.9
83.08626	3.8
85.02901	1.2
85.06538	30.5
91.05470	13.5
93.07033	14.5
95.04961	44.6
95.08598	7.0
96.05317	0.9
97.06536	3.5
97.10175	2.9
98.23379	1.5
98.97569	1.9
99.04458	1.5
99.08111	1.0
105.07024	8.7
107.04960	3.6
107.08583	11.0
109.05753	1.6
109.06510	32.6
109.10155	3.0
111.04440	9.1
111.08063	5.0
113.06000	100.0
114.06347	2.4
115.05508	1.0
116.98588	1.0
117.07020	8.0
119.08577	11.4
121.06512	4.4
121.10149	5.5
123.08065	3.1
125.09636	2.1
129.07013	4.3
131.08554	8.6
133.06474	1.5
133.10124	3.9
135.08052	24.2
135.11662	5.5
137.09610	1.3
143.08527	3.8
145.10109	8.3
147.08031	5.5
147.11681	1.7
149.09573	4.9
153.12738	4.9
155.08516	1.6
157.10107	4.3
159.08003	1.3
159.11707	3.9
161.09616	5.2
163.11185	6.4
165.09126	2.2
165.12744	1.7
169.10074	1.2
171.11609	1.0
173.09575	1.2
173.13223	1.5
175.11230	1.0
177.12799	1.8
181.12155	6.4
183.11641	1.3
185.13295	1.0
189.11263	1.6
189.16524	0.9
191.10645	6.0
199.14735	1.5
201.12691	1.8
209.11688	1.1
217.15889	7.9
227.12732	8.3
233.15260	0.9
235.16759	0.8
237.16360	1.4
245.19014	1.5
249.14847	1.7
255.17471	3.1
258.99847	1.5
273.18457	19.9
277.00742	1.4
291.19516	57.2
292.19971	4.4
305.11588	2.0
305.21036	4.5
323.22101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	14.4
55.05502	19.0
55.40286	4.4
57.03427	18.0
57.07072	5.2
59.04999	5.8
65.03943	4.5
67.05507	68.8
69.07043	12.5
71.04977	6.7
71.46834	4.8
72.08038	4.8
77.14772	4.2
79.05494	54.0
81.07053	83.2
83.04984	12.3
83.08616	11.7
85.06551	13.3
91.05479	34.7
93.07038	36.5
95.04970	100.0
95.08595	28.3
97.06504	8.4
98.97585	33.3
105.07036	34.5
107.04958	16.0
107.08593	29.9
109.06525	76.7
109.10126	12.9
111.04441	5.2
111.08018	6.2
113.06003	33.9
116.98599	22.2
117.07021	14.4
119.08557	22.4
121.06484	14.4
121.10130	13.7
123.08081	7.3
126.57745	4.5
129.06961	5.1
130.07785	4.5
131.08521	21.4
133.06435	5.8
133.10139	14.6
134.99605	4.9
135.08061	36.5
135.11688	16.9
137.05933	9.9
137.09596	8.4
143.08606	6.7
145.10104	15.6
147.08043	12.8
147.11714	10.4
149.09660	10.3
149.13187	5.7
155.08589	7.1
159.11708	8.6
161.09662	10.0
161.13130	5.0
163.11162	10.9
164.92076	11.9
171.11707	7.2
177.12770	6.7
206.67084	3.9
217.15782	10.3
221.15358	24.4
222.00525	5.8
245.93091	4.4
247.15202	5.1
255.17468	5.2
258.99722	29.4
267.06339	24.5
273.18527	41.5
277.00821	31.2
282.78799	4.9
291.19522	36.7
305.21136	14.9
323.25143	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
54.47871	0.8
55.01871	3.8
55.05515	10.7
56.96555	1.1
57.03434	2.8
65.03932	2.1
67.05508	13.3
67.49933	0.7
69.03427	2.3
69.07068	8.9
71.04990	5.4
77.03926	1.1
79.05497	36.6
80.05837	1.5
81.03436	4.4
81.07058	100.0
82.07384	2.4
83.04988	4.6
83.08635	4.0
85.06551	2.3
91.05473	10.6
93.07047	19.2
95.04965	5.7
95.08599	9.7
97.06516	4.9
97.10166	6.7
98.30437	0.9
98.97577	9.9
99.08094	1.3
101.05982	1.2
101.55019	0.8
103.05443	1.9
104.51003	0.8
105.04507	1.2
105.07016	8.8
107.04945	4.7
107.08583	9.9
107.09254	1.0
109.06520	74.6
109.10185	4.1
110.06806	1.1
111.04463	1.3
111.08088	2.6
113.05998	5.8
115.05524	1.7
116.98626	4.6
117.07018	3.7
119.08569	7.5
121.06534	3.7
121.10145	14.4
123.04430	1.5
123.08081	6.1
125.09635	7.1
127.07622	0.8
129.07011	1.4
131.04948	3.3
131.08560	5.0
133.06462	1.1
133.10127	4.5
134.99678	2.4
135.04414	2.4
135.08095	4.5
135.11658	4.9
137.05981	2.4
137.09573	1.5
139.11143	3.9
141.07086	1.1
143.08577	2.0
145.06459	1.1
145.10110	4.7
147.08104	1.4
147.11713	2.1
149.05975	2.7
149.09616	4.5
149.13278	3.2
151.07579	3.3
153.05458	0.9
153.09158	1.2
157.10179	2.1
159.11717	3.8
161.05975	2.9
161.09625	1.5
163.07553	4.3
163.11235	3.4
164.92093	2.0
165.09126	1.9
167.10692	2.1
169.10165	1.7
173.05972	2.0
175.11226	2.3
175.14836	0.9
177.12845	4.7
181.12297	1.8
185.05983	3.0
185.13287	2.2
187.11198	2.9
189.11182	2.4
191.10683	1.7
193.12215	0.9
198.98917	1.9
203.12834	3.4
205.10301	0.9
205.12254	3.0
209.15369	1.4
217.14290	1.5
219.13544	1.0
221.15398	2.8
223.13257	2.4
230.87762	0.9
237.14711	1.8
241.14198	1.0
245.18959	1.0
255.17676	1.3
258.99814	7.2
259.99817	0.9
261.09036	1.3
263.10684	1.4
273.18536	11.2
277.00812	8.7
279.09924	1.3
291.10135	1.8
291.19531	11.7
293.11676	1.0
300.02505	1.1
305.11700	3.4
305.17746	1.1
305.21143	13.2
308.10345	1.2
323.08902	1.4
323.12262	9.8
323.18405	3.6
323.22150	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14268	4.2
55.04444	4.6
55.05506	15.0
57.07057	6.8
67.05500	39.7
68.38166	3.8
69.07056	12.4
70.89336	3.9
71.04984	6.8
71.08635	38.8
73.08463	3.4
75.34676	3.3
79.05490	39.4
81.03397	6.2
81.07059	48.8
83.04972	11.4
83.08610	12.8
91.05487	20.4
93.07052	54.5
95.04959	10.3
95.08582	32.1
97.06535	11.7
99.08102	34.7
105.07025	20.6
107.04966	6.6
107.08582	30.6
109.10155	11.7
119.08577	17.5
121.10132	25.8
133.10114	13.0
135.11682	32.2
138.40421	4.1
143.08629	4.8
145.10130	6.0
147.11687	4.2
149.13263	7.4
151.11182	17.5
161.13213	11.3
163.11188	6.3
177.12756	4.4
179.14305	100.0
189.12802	4.8
235.16927	6.4
272.54794	3.9
277.21646	51.1
293.15073	4.0
323.19717	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03939	6.4
55.01868	15.5
55.05517	45.7
57.03436	11.7
57.07064	12.5
59.05000	3.9
62.06095	6.2
65.03937	3.3
67.05508	83.8
69.03429	6.6
69.07070	47.8
70.01150	10.3
71.04996	7.2
71.08636	23.8
72.71687	2.9
79.05500	59.8
81.03434	7.8
81.07059	100.0
83.04984	22.1
83.08641	27.9
85.06531	7.0
91.05487	38.3
93.07048	82.8
95.04977	22.2
95.08604	73.3
97.06535	19.7
97.10167	12.1
98.22875	7.6
98.23423	3.7
98.97600	28.3
99.08105	17.1
105.07054	23.6
107.04997	3.6
107.08601	43.6
109.06520	12.3
109.10174	31.5
111.08080	10.5
116.98627	11.2
117.07043	8.6
119.08571	29.8
121.06498	4.3
121.10151	42.5
123.08080	7.7
123.11713	10.7
125.09621	4.4
129.06975	5.1
131.08582	15.7
133.06516	3.7
133.10135	14.2
134.99667	7.9
135.08057	4.8
135.11714	21.9
137.09630	8.1
139.11198	15.4
143.08594	4.8
145.10112	14.3
147.08026	3.3
147.11662	11.6
149.09642	5.4
149.13261	15.4
151.11188	8.1
153.12712	6.7
157.10149	3.6
159.11647	7.4
161.13269	10.8
163.11336	4.5
163.14842	7.7
165.12756	4.9
171.11624	3.7
173.13278	7.7
175.11235	4.6
175.14851	4.9
185.13190	4.0
187.14755	5.5
189.16490	4.7
193.15915	5.9
207.17543	4.5
211.07529	6.0
213.16498	3.2
221.15294	8.8
223.16846	6.8
228.10164	3.4
235.16917	6.0
239.07043	10.6
245.47095	3.6
258.99701	21.9
267.06522	78.2
268.06741	5.3
273.18417	6.1
275.19907	6.0
277.00885	20.6
282.01385	5.3
287.23676	4.9
291.10141	4.9
291.19498	6.6
300.02429	4.1
305.11676	7.6
305.21442	5.4
305.24780	62.9
306.24695	4.8
323.12793	14.0
323.16104	4.2
323.22235	7.2
323.25748	50.1
324.25934	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51914	0.5
53.03938	0.8
53.26437	0.5
53.64314	0.4
55.01863	0.8
55.05510	22.6
56.96559	1.1
57.03423	0.7
57.07064	0.7
59.07387	1.1
60.08162	2.8
67.05501	2.4
69.03445	0.9
69.07069	5.7
69.17491	3.1
70.06599	1.0
71.04973	0.6
72.08154	16.6
73.06565	0.6
78.95490	0.5
79.05493	8.2
81.07058	4.7
83.04976	1.3
83.08618	82.4
84.08939	1.4
87.04465	0.6
91.05478	2.1
93.07040	2.4
95.04985	1.7
95.08610	6.2
97.10162	1.7
98.06045	2.0
98.97599	3.4
103.05457	11.3
105.04527	0.6
105.07033	2.3
107.04937	6.0
107.08583	1.8
109.06506	1.6
109.10164	5.3
111.08093	2.6
111.11728	1.2
112.07614	6.0
112.11223	1.4
113.08322	0.5
116.98602	2.5
117.07069	0.5
118.06544	1.3
119.08572	2.0
121.06521	1.4
121.10161	1.2
123.08082	1.3
123.11689	1.1
124.07618	1.6
126.09142	5.6
128.10730	1.4
131.04933	3.6
131.08572	0.8
133.10139	1.1
135.08087	0.8
135.11694	1.2
137.09619	1.1
137.13283	1.2
138.09146	0.6
140.10696	5.8
143.08516	0.5
145.10049	0.6
146.09540	0.6
147.07986	0.5
147.11755	0.7
149.44043	0.5
166.12270	2.9
168.13876	0.6
173.09889	0.5
174.50470	0.5
175.14819	1.2
176.14330	13.4
177.09192	0.5
180.13817	4.2
181.14519	0.7
182.15398	15.5
208.17017	4.3
222.18512	2.7
257.10538	2.0
258.99783	2.9
263.07416	0.5
264.23230	61.3
265.23563	3.8
269.10638	2.1
275.11655	1.1
277.00879	3.2
277.17755	0.6
279.06580	0.6
283.12146	1.4
287.16434	1.0
292.12271	0.6
301.13245	2.6
305.17404	2.1
305.20807	0.7
323.09094	1.9
323.18277	2.1
323.30560	100.0
324.19565	42.9
324.30801	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.5
56.96564	11.2
57.03422	2.2
67.05501	6.1
69.03433	1.5
69.07060	2.3
69.91340	1.2
69.91647	1.9
70.06593	4.1
70.98151	1.1
71.04984	1.1
71.95266	0.9
79.05499	4.4
81.03401	1.0
81.07051	4.9
81.39191	0.9
83.04984	2.6
83.08610	2.3
85.02909	2.1
85.06548	0.9
86.14575	1.0
87.04482	1.7
91.05450	4.9
93.07061	7.6
95.04977	3.1
95.08610	2.6
97.06541	2.0
97.96824	3.4
98.97589	3.1
103.05466	5.5
105.07050	3.2
107.04967	3.3
107.08604	3.5
109.06525	1.6
109.10175	2.4
110.97530	4.7
111.08105	1.3
115.05445	1.4
115.97860	3.8
116.56003	1.0
116.98631	2.0
117.07037	1.1
119.08568	1.8
121.06519	4.8
122.90057	0.9
123.08071	1.3
125.09732	1.4
128.98596	6.7
130.08644	3.1
131.04935	5.9
131.08571	1.9
133.06465	1.4
133.10120	2.6
135.08041	2.9
137.05948	4.8
137.09586	1.0
139.07506	1.4
141.06940	1.0
143.00140	1.4
143.03383	1.1
143.04933	1.2
145.10161	1.1
146.99684	2.3
147.11685	1.2
151.07529	7.4
161.01273	2.5
161.09601	1.1
163.07535	15.2
167.00179	2.1
171.03300	4.2
175.07565	5.4
178.16138	1.0
181.01749	1.9
181.08583	1.1
185.01247	5.5
185.04871	2.0
187.07628	1.5
189.04337	2.0
193.08681	1.5
193.12175	1.4
195.04021	4.0
195.06943	1.4
198.05661	3.3
199.02818	4.8
199.06479	1.4
203.05890	1.6
204.06673	1.2
209.11719	1.3
213.04352	4.0
213.07916	10.4
214.08794	1.3
216.06734	3.3
217.03908	2.9
217.07399	1.4
225.07974	2.8
227.06731	2.1
231.05663	1.1
231.09032	10.2
232.09773	2.8
233.09587	1.6
239.09578	8.7
242.08319	4.9
243.09042	1.9
251.09412	9.8
257.10602	59.8
258.11053	2.7
260.00049	1.2
260.09308	1.1
261.09195	2.2
265.11749	1.6
269.10596	77.6
269.46039	1.0
270.10995	2.3
271.16995	1.2
275.11649	27.3
278.01004	1.0
280.12305	4.7
283.12149	37.9
284.12439	1.8
284.29111	1.1
287.11655	36.4
288.12067	2.3
289.18027	3.8
292.12076	8.1
293.11777	4.3
301.13211	100.0
302.13617	4.2
306.20782	1.2
306.97131	1.0
307.19061	2.8
310.13266	2.1
319.14331	2.9
324.14932	12.9
324.18591	2.2
324.22617	1.2
325.14380	13.1
330.22406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
56.96556	4.7
59.04980	1.7
61.02921	1.9
67.05499	5.7
69.03422	6.7
69.07064	5.2
70.06593	3.6
71.04987	2.5
71.45950	1.7
72.08151	2.3
74.06049	1.5
79.05482	4.1
81.07056	34.6
84.08150	2.4
85.02917	16.2
85.06539	64.0
87.04440	2.2
89.03936	1.8
97.02872	4.4
97.06532	5.9
98.97581	2.7
99.08086	9.4
100.07610	6.6
101.25890	1.5
107.04939	2.9
109.06513	18.3
109.07678	2.5
109.10184	1.7
115.07565	21.7
116.98518	1.7
117.03360	3.6
117.09132	2.5
120.08126	5.8
123.09104	2.1
127.03957	4.0
127.07547	100.0
128.07071	14.3
128.07903	2.7
133.02872	3.9
139.28409	1.7
143.22194	1.6
145.02858	10.1
145.08592	38.8
145.61125	1.5
149.06004	1.6
158.01289	1.7
162.05566	3.0
163.03885	3.9
166.01964	1.7
177.05496	10.0
179.03416	11.2
204.01811	1.8
220.14366	2.3
235.09544	2.0
263.14883	3.6
265.12228	3.0
281.11646	3.8
283.13278	17.0
299.12704	1.7
301.14346	16.4
324.05847	3.2
324.10150	1.9
324.18756	2.6
325.14288	19.2
343.15430	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03938	0.2
55.05511	0.3
55.70664	0.2
64.23140	0.2
67.05502	0.4
70.57136	0.4
77.03918	0.3
79.05492	15.8
80.05824	0.6
81.07040	0.6
91.05475	0.5
93.07034	1.8
95.04956	1.1
95.08587	0.3
97.10199	0.2
103.05464	33.4
104.05785	0.9
105.04481	0.5
105.07030	2.7
105.15958	0.2
107.04951	19.5
108.05309	0.4
117.07027	0.3
118.06537	4.2
121.06483	1.3
131.04919	11.6
132.05257	0.3
132.08087	1.5
133.08859	0.7
134.09634	0.3
137.57689	0.2
146.09642	1.6
149.05984	0.7
150.04146	0.2
160.11229	0.7
162.58484	0.2
176.14334	43.8
177.14680	1.7
189.15057	0.4
190.08653	0.3
204.10312	0.2
233.14058	0.6
255.68347	0.2
266.11722	0.3
280.13409	0.4
294.14703	0.2
301.07245	0.7
324.19553	100.0
325.19897	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
57.03434	1.3
57.07068	2.6
58.74471	0.6
59.04984	0.9
61.02910	0.9
67.05494	3.2
69.03424	2.8
69.07066	2.4
69.68963	1.6
70.06619	0.7
71.04990	14.6
72.08167	0.8
73.06559	2.8
75.04485	1.2
77.53426	0.7
79.05488	1.9
81.03428	1.1
81.07053	2.3
83.08613	2.0
84.08154	1.4
85.02899	11.4
86.09699	1.1
87.04467	1.3
87.05579	1.8
87.08094	1.4
91.05473	1.3
93.07034	1.4
94.06559	1.8
95.06061	1.1
95.08598	1.4
96.04485	2.7
97.02886	2.0
105.07023	1.4
108.08122	0.9
109.10151	10.1
111.05550	1.0
119.08553	1.2
121.06487	1.0
127.03931	2.8
127.10247	1.3
127.11192	27.6
135.04411	0.9
137.06035	0.8
138.05515	1.3
145.04939	2.4
145.12231	100.0
146.12595	3.4
163.03880	2.6
175.07506	1.1
175.97484	0.8
190.04993	0.8
226.70374	0.7
262.14493	1.0
293.08267	0.9
324.14005	1.6
324.18158	5.4
324.22006	0.9
325.17270	5.6
325.21048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86515	0.9
55.05505	1.1
57.03436	41.3
57.69372	0.8
60.96206	0.7
63.96985	0.7
67.05495	1.8
67.99059	0.8
69.03423	3.1
69.51003	1.9
69.51416	2.5
70.06596	1.4
72.08106	1.1
79.65686	0.8
81.03412	1.6
83.08599	1.0
84.04501	1.9
85.02902	10.3
86.06049	1.0
86.09699	1.1
87.04479	1.5
91.05471	0.9
93.07034	1.4
95.06089	1.7
97.02887	2.5
102.05545	1.5
108.08099	6.3
109.02856	1.5
109.10143	6.9
127.03911	2.5
127.11192	100.0
128.11501	3.0
130.05017	9.3
135.11681	0.9
137.05922	1.0
145.04997	2.3
145.12238	27.7
150.12782	2.0
152.14355	10.7
157.83582	1.0
162.05548	0.9
163.03819	2.0
163.06000	1.1
173.65422	0.9
177.05313	1.3
191.08157	3.2
196.17000	3.7
264.15936	2.4
281.18597	11.1
307.12808	1.7
324.17889	1.8
324.22229	1.4
325.13379	1.7
325.21231	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30437	0.6
55.01860	0.7
55.05500	1.4
55.68294	0.5
57.03427	1.9
58.06572	0.5
61.02919	0.9
67.05516	3.0
68.33923	0.4
68.90394	0.5
69.03425	2.5
69.07056	1.8
70.06579	0.5
71.04983	0.9
71.08630	29.3
79.05492	1.4
81.03429	2.3
81.07050	3.4
83.04970	0.7
85.02905	8.1
85.06567	0.9
86.09705	16.3
91.05463	2.3
93.07053	6.5
95.04963	1.3
95.08604	1.2
97.02885	2.1
97.10168	0.6
99.04474	0.8
99.08093	37.3
100.08408	1.0
105.07022	2.4
107.04933	0.6
107.08583	1.2
109.02864	1.3
109.06510	5.8
109.10171	2.4
112.05020	0.8
113.05949	0.8
119.08566	1.3
123.08063	0.7
127.03934	1.0
127.11195	34.5
128.10721	1.6
130.83073	0.5
131.04897	0.7
132.10204	4.2
133.10124	5.7
136.06219	1.1
137.05978	1.8
139.55833	0.5
145.04988	1.9
145.12233	100.0
146.12575	3.3
147.11684	2.1
151.11180	26.6
152.11580	0.7
163.03938	4.0
175.07587	1.1
177.16254	0.5
185.31721	0.5
190.05057	0.6
193.12297	0.8
198.70711	0.4
223.31966	0.5
260.20166	1.1
266.04099	0.5
278.21112	4.8
289.17935	0.8
291.03848	0.5
306.20468	1.5
307.08170	0.5
307.18924	0.7
324.13794	0.6
324.18149	0.9
324.21664	4.8
325.10974	0.9
325.21671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21797	2.8
55.01870	4.3
55.05512	21.4
56.24116	2.9
59.05012	5.3
60.02208	2.6
64.88013	3.2
67.05505	15.1
67.61790	2.6
69.07069	10.8
70.06606	5.7
74.41595	2.7
79.05501	13.2
81.03421	4.2
81.07056	14.3
83.04980	4.7
83.08624	9.1
91.05484	14.4
93.07050	6.7
94.07429	2.8
95.04958	3.3
95.08616	11.0
97.06530	4.0
97.10181	13.7
98.97560	4.3
104.78687	3.0
105.07062	9.2
107.08633	14.9
109.06526	7.6
109.10178	6.6
116.98644	3.8
117.07063	7.5
119.08594	56.7
121.10160	6.0
125.09654	8.7
129.07028	5.9
131.08600	6.6
133.06499	3.6
133.10179	5.8
135.08081	12.5
135.11726	4.0
145.10106	4.7
147.08066	27.8
157.10173	7.5
159.08063	32.3
161.09715	5.7
164.06917	2.9
171.11809	3.1
173.09657	7.5
180.54210	3.6
185.11879	3.6
189.11136	3.2
202.00623	3.1
271.16998	11.1
278.01114	5.7
284.17657	3.2
289.18002	100.0
290.18326	4.1
307.19125	4.8
324.18887	6.7
324.22467	3.8
325.14310	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.42765	0.5
55.01869	1.0
55.05505	1.6
57.05793	0.5
57.07048	0.4
59.04973	0.5
65.03944	0.6
67.05495	4.8
69.03420	0.5
69.06712	0.6
69.07065	9.5
69.70992	0.9
69.71383	0.8
79.05480	3.6
81.07048	8.3
83.04968	4.4
83.08634	0.7
86.09699	100.0
87.10048	1.2
91.05473	10.1
93.07039	11.0
95.04951	2.8
95.08587	2.2
97.06522	1.1
98.23378	0.9
103.05454	1.2
105.07020	11.2
107.04949	1.0
107.08575	3.5
107.44495	0.4
109.06508	8.1
109.10175	1.5
111.04455	0.5
111.08079	2.9
113.00014	0.4
115.05447	0.8
117.07022	0.6
119.08559	5.2
121.06512	1.9
121.10137	1.2
123.08066	1.5
123.11690	0.7
128.06152	0.5
128.10699	5.4
129.06992	0.9
131.04933	1.2
131.08528	3.8
132.10193	31.1
133.06480	1.9
133.10112	17.5
134.06810	0.5
134.10512	0.8
135.08078	2.1
137.05937	1.2
142.07761	0.6
145.10085	0.8
146.07272	0.7
147.08037	3.2
147.11664	12.0
148.08411	1.2
149.02550	0.5
149.09621	2.0
149.13216	0.8
151.07574	3.8
151.11165	39.3
152.11546	1.4
153.09085	0.5
156.10141	1.0
157.10133	0.7
158.07228	0.5
159.08101	0.8
161.09610	3.4
162.06703	0.4
163.07549	3.0
165.09148	0.9
165.12782	1.8
167.14374	0.7
173.09595	1.1
173.11731	0.6
175.11163	4.6
177.09097	2.2
178.09442	0.8
188.26582	0.4
189.09084	1.4
192.10995	0.6
192.13863	0.6
193.12228	4.5
210.14815	0.6
260.20108	7.5
278.21133	28.2
279.21561	1.3
292.14368	0.5
293.15079	0.8
295.68246	0.5
306.20645	5.9
324.13416	1.0
324.17087	7.7
324.21689	19.1
325.17520	0.9
325.21872	1.4
330.48242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	0.5
55.05505	5.4
56.05025	0.6
57.03442	0.4
57.07063	1.1
65.03947	0.5
67.05161	0.6
67.05501	9.2
67.05859	0.5
68.05041	1.9
69.03379	0.3
69.07069	2.9
69.91942	0.9
70.06583	1.3
71.04984	1.3
72.08147	9.2
74.02426	0.4
77.03934	0.3
79.05489	7.2
80.05012	12.7
81.07050	7.2
82.06570	1.2
83.04977	0.9
83.08611	1.0
84.08117	1.8
85.06538	0.5
86.09692	4.6
91.05469	4.9
92.04966	0.6
93.05779	0.7
93.07037	5.9
94.05987	0.7
94.06558	9.0
95.04958	1.6
95.07332	0.4
95.08603	4.2
97.06503	0.7
97.10136	0.5
101.05983	0.4
105.07023	5.1
106.06561	3.1
107.04932	0.5
107.07318	0.9
107.08575	3.0
108.08113	3.1
109.06499	1.1
109.10143	2.4
110.09673	2.3
111.08042	0.5
117.06992	0.9
119.08578	3.0
120.08115	2.5
121.02808	0.4
121.06528	0.7
121.08885	0.5
121.10168	0.7
122.09648	1.9
123.08089	0.6
125.09648	0.5
129.06992	0.6
130.08641	0.5
131.08571	0.8
132.10197	1.8
133.10109	1.5
134.09566	0.7
135.08105	0.6
135.10457	0.4
135.11682	1.0
136.11203	23.6
137.11565	0.5
143.08577	0.5
145.10124	0.9
147.11652	2.1
148.11166	0.5
149.09592	0.5
149.13263	0.6
150.12773	1.0
151.11150	0.5
161.05865	0.3
161.13271	0.4
162.12718	0.4
171.11705	0.7
173.13223	0.6
176.14368	0.4
177.12683	0.5
182.11720	1.7
189.11234	0.5
189.12804	0.4
193.12262	0.4
204.13820	0.6
207.13698	0.6
218.15466	1.7
222.14944	0.9
223.15672	2.0
230.17812	0.3
234.14886	0.9
236.16345	0.7
260.19989	1.8
278.21121	14.7
279.21530	0.5
288.19547	0.3
289.17892	0.5
306.17642	0.3
306.20551	1.7
307.15417	0.4
324.21661	100.0
325.16229	7.8
325.22122	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2899
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03954	0.3
55.01873	0.5
55.05510	5.7
57.03430	0.5
57.07082	1.3
60.04527	0.4
62.06090	100.0
63.06435	0.3
65.03942	0.7
67.05505	16.5
67.32358	0.2
69.07069	6.0
69.79629	0.7
70.02966	0.6
70.06618	0.3
71.05011	0.5
71.08635	0.6
73.97578	0.2
79.05495	4.2
79.30737	0.2
79.83349	0.2
81.07057	17.2
82.07366	0.2
83.04980	0.4
83.08622	2.9
85.06554	0.6
85.10207	0.3
85.61267	0.2
88.03996	0.3
91.05479	2.9
93.07044	4.4
95.04960	0.4
95.08607	12.1
96.08959	0.3
97.06535	1.1
97.10172	1.7
98.06068	0.8
99.04437	0.3
99.08098	0.3
105.07059	1.7
107.08586	1.8
109.06520	0.4
109.10146	4.8
110.17722	0.3
111.08048	0.4
113.09626	0.3
119.08570	1.8
121.10133	1.9
123.08112	0.3
123.11720	1.6
125.09638	0.3
127.11198	0.3
130.08633	0.3
133.10123	2.0
135.11661	0.7
137.13295	0.8
144.10211	0.5
147.11714	0.5
149.13284	0.5
151.11232	0.6
151.14824	0.4
158.11873	0.3
161.13277	0.9
163.14798	0.5
165.16429	0.4
172.13286	0.3
179.18007	0.4
180.98099	0.2
198.14766	0.2
214.18028	0.2
216.68076	0.3
245.22647	1.8
263.23712	1.4
275.20081	0.5
293.20963	0.4
306.27887	2.7
307.26196	3.3
308.26663	0.3
324.28958	15.7
325.29150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03934	1.5
55.01868	2.6
57.03432	3.1
58.06578	0.7
59.04974	0.9
61.02900	1.0
68.84496	0.2
69.03423	16.1
70.57348	0.5
71.01338	0.7
71.04986	5.7
73.02895	0.8
81.03410	19.2
82.03738	0.5
84.04484	0.4
84.08109	0.3
85.02881	1.1
87.04462	0.5
91.05487	0.6
95.04953	0.3
95.06052	0.5
99.04450	6.4
107.08498	0.4
108.08087	0.6
109.02172	0.3
113.07096	0.3
116.04974	0.6
117.05482	2.0
118.06535	4.6
122.09684	0.3
126.20824	0.3
135.11661	0.3
136.11188	0.3
145.07590	6.7
147.09157	8.2
148.06271	0.4
149.04427	0.3
150.12721	0.7
152.14258	0.3
161.07066	0.4
162.07841	1.3
163.03859	0.8
163.08662	1.2
172.06285	0.3
173.07089	13.0
175.08661	7.1
175.10173	0.3
176.09076	0.3
178.37279	0.3
179.85022	0.2
190.07314	0.3
191.08136	100.0
192.08475	3.5
203.08145	0.5
205.09689	0.7
213.10199	0.5
215.08150	0.3
215.11745	0.6
231.11235	0.4
233.09219	1.3
251.96797	0.3
258.59473	0.3
271.10901	0.3
279.13361	0.3
282.16977	4.4
289.11774	1.8
296.09116	0.9
307.12842	36.0
308.13043	2.0
311.11481	2.6
325.13898	32.7
326.14029	4.6
326.19611	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
59.32920	0.1
59.38128	0.1
69.07028	0.2
69.70437	0.2
69.70774	0.5
98.22747	0.3
98.23354	0.3
99.08067	0.2
109.06472	0.2
109.10145	0.2
141.56294	0.2
152.06221	0.3
165.07011	0.2
165.12677	0.5
177.07039	0.3
194.07222	0.3
195.08057	2.0
222.06821	0.8
223.07539	7.5
224.07858	0.3
251.07025	100.0
252.07378	5.6
269.08084	36.3
270.08438	1.7
289.21719	0.3
307.13284	16.3
307.22607	0.8
308.13501	1.1
325.14352	6.7
326.14716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
55.05505	1.6
56.69863	0.3
57.07065	0.9
67.05491	1.3
68.40243	0.3
69.07054	2.2
71.08627	0.8
74.53889	0.3
79.05482	0.7
81.07060	2.1
83.04987	0.5
83.08611	1.3
91.05484	1.2
93.07027	1.1
95.08604	1.8
97.10168	0.7
100.09314	0.4
105.07032	0.5
107.08578	0.7
109.10144	0.8
111.11741	0.3
121.06474	0.3
121.10110	0.6
123.11716	0.4
190.05074	0.5
223.07530	7.6
223.09590	0.6
238.06291	0.7
239.07011	0.8
249.09148	0.3
251.07025	25.6
252.07581	2.9
263.06931	1.9
277.08612	3.2
278.08856	0.3
291.10129	0.5
299.25616	0.4
306.66647	0.4
307.13266	100.0
308.13614	7.7
312.72748	0.3
324.32672	0.4
325.27475	4.0
343.60425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1438
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
55.05489	0.1
67.05485	0.4
69.07053	0.1
69.67229	0.5
69.67564	0.1
73.47044	0.1
79.05485	0.2
81.07053	0.2
91.05468	0.2
93.07020	0.1
95.04951	0.2
95.08624	0.2
98.22935	0.4
105.07032	0.2
109.10141	0.2
125.42041	0.1
133.10118	0.2
135.04343	0.3
137.69034	0.1
145.10097	0.1
152.06128	0.2
195.08092	0.4
209.05956	0.2
223.07549	8.2
224.07977	0.5
235.07518	0.1
237.09109	0.2
238.06212	0.6
239.07028	1.3
241.08429	0.2
246.10452	0.2
246.70338	0.1
249.09244	0.2
251.07040	27.1
252.07576	3.3
253.08334	0.3
262.06326	0.2
263.07034	2.1
272.35568	0.1
274.09720	0.1
275.07062	0.3
275.10620	0.6
277.08621	4.2
278.08902	0.3
291.10251	0.6
292.10904	0.2
307.13281	100.0
308.13617	7.3
325.14371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.98439	1.2
53.03939	8.7
55.01850	6.0
55.05507	20.8
55.57798	1.2
56.17529	1.4
57.03429	7.7
59.47919	1.3
61.46213	1.5
63.30164	1.4
67.04945	1.7
67.05501	36.2
69.03437	3.4
69.07062	7.1
71.01350	1.8
71.04982	14.4
71.46644	1.8
79.05486	46.6
80.05811	2.8
81.03410	18.3
81.07049	100.0
82.07381	1.7
83.04967	17.8
83.08626	9.0
84.71091	1.3
85.02859	1.6
85.06534	2.7
91.05473	22.9
93.07034	34.6
94.50838	1.3
95.04963	16.5
95.08601	32.4
97.06520	4.8
97.10155	5.3
98.97576	2.5
99.08047	1.9
101.05994	1.3
103.05484	1.6
105.04519	2.3
105.07027	17.4
107.04941	10.7
107.08570	15.0
109.02915	1.6
109.06504	52.4
109.10151	7.5
111.04427	1.3
111.08064	8.3
113.06000	1.7
116.48489	1.5
116.98580	1.5
117.07043	8.5
119.04889	1.6
119.08578	11.8
121.06474	7.0
121.10139	19.1
123.04371	3.4
123.08064	15.2
123.11729	1.5
125.09619	3.3
129.06921	2.8
131.04944	1.7
131.08557	11.3
133.06483	3.0
133.10098	12.1
135.08051	7.0
135.11716	4.8
137.05968	2.3
137.09645	4.6
139.07549	3.0
139.11189	3.8
141.06966	1.7
141.09082	3.3
143.08563	4.2
145.06482	4.0
145.10109	5.8
147.08025	3.7
147.11665	5.3
149.05936	1.6
149.09622	6.4
151.07504	2.8
151.11183	2.2
155.08594	1.7
157.10069	3.6
159.08058	5.8
159.11658	5.7
161.09610	7.5
161.13214	2.5
163.11191	2.9
165.09081	1.7
167.10614	4.8
169.10091	2.9
171.11674	3.1
173.09583	3.6
173.11801	1.3
173.13278	2.5
175.11227	2.4
177.09120	2.1
177.12762	3.9
179.10724	3.4
183.11723	2.1
187.11174	5.7
189.11163	3.2
191.14299	3.1
193.12239	1.4
201.12669	1.9
205.12289	2.3
207.13776	4.7
215.17957	1.5
219.13837	3.6
223.13301	2.4
225.16464	2.2
233.15369	2.2
237.14851	2.6
243.17311	2.5
253.15927	1.7
260.99557	1.9
261.18585	10.3
271.16858	10.3
289.17944	35.4
290.18234	2.7
293.21005	4.7
307.18961	5.3
325.20078	44.3
325.23615	2.5
326.20502	3.2
326.24500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.36900	0.7
51.43540	0.8
53.03938	3.8
55.01864	3.6
55.05507	8.8
57.03433	7.2
63.13962	0.7
65.03929	1.7
67.05165	1.2
67.05507	21.1
69.03423	2.3
69.07053	5.3
69.87952	0.8
70.29882	1.9
71.01342	1.8
71.04986	5.2
79.05493	41.4
81.03422	6.0
81.07056	100.0
82.07360	1.2
83.04959	6.2
83.08625	4.0
85.02871	1.3
85.06541	2.2
91.05476	13.7
91.06003	1.6
93.07044	25.0
95.04967	8.8
95.08019	1.4
95.08607	18.9
97.02835	0.9
97.06525	7.7
97.10149	3.0
98.97556	1.4
99.04463	1.3
99.08086	1.5
105.04511	2.0
105.07027	10.6
107.04948	5.6
107.08587	8.3
109.06518	61.1
109.10166	6.2
111.04446	1.4
111.08079	10.5
113.06030	1.1
114.63643	0.9
117.07024	4.0
119.08592	7.0
121.06496	3.5
121.10146	18.6
123.04436	1.0
123.08054	9.3
123.11653	1.0
125.06036	1.1
125.09627	3.0
128.06223	1.1
129.06970	1.1
131.08556	7.4
133.06464	1.7
133.10132	8.6
135.04370	0.9
135.08086	4.2
135.11690	3.2
137.05949	1.1
137.09634	2.1
139.07507	2.0
139.11157	3.2
141.09090	5.6
143.08546	1.5
145.06425	2.3
145.10126	3.0
147.07996	1.3
147.11652	2.7
149.06017	1.0
149.09625	8.7
149.13290	1.2
151.07532	2.2
151.11166	2.4
153.09102	2.2
155.08638	1.6
157.10130	1.4
159.08060	2.3
159.11691	2.8
161.09587	2.9
163.07497	1.4
163.11171	1.5
165.09134	1.1
167.10692	7.8
173.09634	2.2
173.13223	1.3
175.11108	1.4
177.09036	1.4
177.12798	1.7
179.10634	1.7
179.36407	0.8
183.11708	1.1
185.11818	1.6
187.11188	1.6
189.11208	1.1
193.12308	1.0
195.13789	1.2
197.11739	1.3
230.95438	0.8
233.15413	1.7
241.14432	0.8
243.17331	1.5
246.49420	0.8
251.07056	3.2
261.18497	7.0
264.67548	0.9
271.16946	3.6
275.20157	1.1
279.19461	1.0
289.17975	16.3
307.19086	10.7
325.14273	1.1
325.20099	24.4
326.20303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03946	11.9
55.01877	9.7
55.05259	3.0
55.05510	41.1
56.05837	1.8
57.03432	15.0
57.07058	2.0
65.03948	3.9
67.05502	63.2
68.99803	8.7
69.03428	8.4
69.07065	16.7
69.30760	7.2
71.04995	27.5
73.02908	3.1
79.05041	3.3
79.05490	47.7
81.02959	2.6
81.03416	34.3
81.07056	59.9
82.07355	1.7
83.04979	82.8
83.08601	9.7
85.02870	2.6
85.06539	6.9
91.05473	40.0
93.07044	45.2
95.04963	25.8
95.08602	36.3
97.02901	2.3
97.05893	2.1
97.06526	41.6
97.07116	3.4
97.10163	4.0
98.23454	3.6
98.97549	3.2
99.04452	4.7
99.08062	3.3
101.06028	2.1
103.05489	2.2
105.02661	1.7
105.04525	1.9
105.07032	34.7
106.07394	2.2
107.04951	22.5
107.08582	23.3
109.02833	2.2
109.06513	17.9
109.10146	20.7
111.04453	7.6
111.08071	11.4
112.04742	1.6
113.05993	3.7
115.05463	2.6
117.07014	13.7
119.04957	3.1
119.08572	22.8
121.06498	11.4
121.10117	13.9
123.04446	6.5
123.08067	19.2
123.11694	3.9
125.05979	21.9
125.09633	5.6
127.07545	2.5
128.06194	3.0
129.07021	8.3
131.04941	2.6
131.08560	20.5
133.06456	5.6
133.10123	25.7
135.04424	22.0
135.08018	8.6
135.11691	8.1
137.05975	3.1
137.09625	6.1
141.07019	4.5
141.09090	5.1
143.08562	6.9
145.06493	8.6
145.10138	12.6
147.08041	8.6
147.11678	8.4
149.05959	3.5
149.09618	8.3
151.07576	3.6
151.11154	10.5
155.08496	3.3
157.06526	2.1
157.10118	5.4
159.08023	10.7
159.11682	10.7
161.05899	2.1
161.09573	7.8
161.13269	4.9
163.07585	7.9
163.11160	9.5
165.09140	2.2
165.12752	2.3
167.10684	3.1
169.10097	5.8
169.12364	2.7
171.11671	9.5
173.09636	5.4
173.13264	4.2
175.07567	2.6
175.11163	4.1
177.09123	5.2
177.12715	10.0
182.10625	1.6
183.10135	4.1
183.11609	2.9
185.09471	2.0
185.13263	2.0
187.11159	5.5
187.14798	1.7
189.05475	1.6
189.12697	5.2
191.14328	3.1
193.12189	3.0
195.13824	1.7
197.13289	3.2
201.12807	2.1
205.12236	2.5
205.15889	3.1
207.13777	6.0
211.13164	3.6
215.14346	1.8
215.17915	2.0
217.12170	3.1
219.13789	5.5
223.13412	2.0
225.14745	4.4
229.15871	1.9
233.11507	3.0
233.15372	15.8
235.13249	4.4
237.14848	6.8
243.17451	7.1
253.15823	5.0
261.18494	21.0
271.16959	17.1
275.19965	2.1
277.08597	2.0
279.19550	1.8
289.17960	100.0
290.18372	9.1
293.20883	3.9
296.00189	1.8
307.09845	1.7
307.18985	38.6
308.19321	2.8
325.10547	3.6
325.14105	2.5
325.19809	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03941	4.7
55.01875	13.7
55.05256	4.1
55.05511	46.4
57.03440	35.2
65.03932	2.9
67.05504	59.9
69.03432	9.2
69.07068	23.8
71.04990	11.9
79.05489	49.7
81.03430	11.5
81.07058	35.9
83.04971	8.2
83.08617	22.0
84.96875	1.9
85.02899	1.8
85.06561	4.9
86.09682	2.4
91.05484	31.1
93.07043	37.2
95.01312	3.8
95.04971	23.3
95.08600	16.4
97.06532	60.1
97.10173	35.0
98.97575	3.5
99.08102	2.7
105.04518	1.9
105.07042	17.3
107.04963	22.4
107.08601	29.3
109.02889	3.4
109.06508	16.2
109.10162	17.6
111.08090	5.7
113.05993	2.7
115.05446	2.0
115.07562	7.3
117.07043	12.4
119.08574	23.4
121.06521	18.8
121.10146	10.9
123.04432	3.6
123.08068	13.3
125.05982	17.2
125.09621	29.8
128.06281	2.3
129.07014	6.1
131.04907	2.6
131.08556	13.3
133.06488	7.0
133.10132	7.3
135.04420	2.4
135.08063	32.5
135.11662	3.8
137.05914	2.1
137.09619	14.3
143.08549	5.1
144.05635	2.7
145.06483	4.8
145.10046	9.7
147.08060	12.3
147.11639	7.4
149.09625	5.0
151.07524	3.7
151.11151	2.5
153.09076	5.8
155.08611	2.5
157.06543	2.1
157.10165	3.1
159.08055	62.9
159.11688	3.6
160.08420	3.7
161.09613	5.2
163.07542	7.2
163.11183	5.5
169.10086	4.7
171.10234	3.5
171.11624	4.1
173.09682	5.8
173.11739	3.7
173.13251	2.3
175.07533	3.4
175.11237	2.4
177.09065	5.3
181.10188	2.2
185.09569	2.1
187.11172	2.1
187.14752	3.5
189.11224	16.5
189.12675	2.9
191.10738	2.9
193.12273	5.0
197.13293	2.2
204.25046	2.0
206.04536	2.9
209.11699	2.5
211.11250	4.0
215.14328	6.3
219.13802	2.4
233.15358	34.3
237.14894	5.4
243.17464	5.5
251.16487	12.4
253.15865	16.4
261.18454	5.3
271.16928	45.9
272.17218	3.8
275.19931	4.4
279.00610	3.2
289.17966	100.0
290.18286	5.2
307.19031	58.0
307.22238	2.4
308.19440	2.4
325.10580	7.7
325.20111	35.8
326.24728	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
50.78444	2.0
50.92916	2.1
53.03946	13.7
55.01872	10.5
55.05511	31.5
57.03170	3.4
57.03431	32.3
65.03927	2.4
67.05157	3.5
67.05502	53.7
69.03426	7.2
69.07066	17.0
69.31044	9.7
71.04983	6.5
77.03954	2.5
79.05497	40.5
81.03414	35.4
81.07053	58.5
83.04533	2.3
83.04985	29.9
83.08623	12.4
85.06528	6.7
85.26508	2.2
91.05479	27.6
93.07042	36.0
95.04978	22.6
95.08606	30.0
97.06530	60.3
97.10166	14.2
98.23533	3.6
99.08073	2.4
103.05464	2.7
105.07030	27.2
107.04950	37.0
107.08588	29.6
109.06516	23.6
109.10159	17.2
111.04444	14.5
111.08074	9.1
113.06006	5.3
117.07013	12.9
119.04945	3.1
119.08573	17.5
121.06532	13.1
121.10111	13.6
123.04437	5.8
123.08061	23.8
123.11702	3.0
125.05993	12.2
125.09629	9.0
129.07008	7.4
131.07623	3.1
131.08543	17.5
133.06461	4.6
133.10109	18.5
135.08066	15.0
135.11719	14.7
137.06010	2.9
137.09608	6.3
139.07530	3.0
141.06972	3.6
143.08614	6.7
145.06473	11.0
145.10110	9.5
147.08038	5.8
147.11729	4.4
149.05981	2.8
149.09631	4.5
149.13289	3.7
151.07472	2.5
151.11156	10.0
153.09148	2.5
155.08592	4.8
157.10063	3.5
159.08046	29.5
159.11687	11.7
161.09653	5.2
163.07553	2.8
163.11165	7.7
169.10156	6.4
171.11693	3.0
173.09657	6.2
173.11757	3.0
173.13347	2.0
175.11154	5.5
177.09077	6.1
177.12753	11.9
179.10674	2.6
183.11731	2.7
187.11163	17.0
187.14897	4.1
189.11223	5.3
189.12750	3.3
193.12242	3.9
195.13794	9.6
197.13199	2.6
199.11043	3.2
202.03340	2.4
205.12280	6.2
205.15865	5.0
211.13182	4.2
213.22101	2.2
215.14360	5.3
223.13248	17.2
225.16351	2.4
233.15369	27.2
237.14828	3.4
241.14316	25.2
243.17404	4.9
251.16420	6.7
253.15865	8.7
261.18411	16.7
271.16931	35.8
272.17316	2.5
289.17966	100.0
290.18207	5.3
307.19049	41.0
308.19223	3.4
320.69409	2.2
325.19928	18.2
326.24658	4.4
343.32208	2.4
345.09064	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
53.60394	1.2
55.01863	1.3
55.05517	9.6
57.03438	1.9
57.07071	1.6
57.20979	0.9
67.05507	9.0
69.07065	4.5
69.88015	2.5
69.88376	2.2
71.08633	13.5
79.05495	8.7
81.03406	1.5
81.07056	8.2
83.08617	4.3
89.03043	1.2
91.05487	4.7
92.59180	0.9
93.07056	6.8
95.04970	3.5
95.08588	8.5
97.06490	1.1
97.10157	6.1
99.08115	6.6
105.07031	4.1
107.04952	2.5
107.08581	6.4
109.06544	2.7
109.10174	4.6
117.07021	1.0
119.08607	2.1
121.06530	4.4
121.10170	1.5
123.08090	1.2
125.09660	6.7
131.08566	2.0
133.10165	3.1
135.08040	3.2
135.11717	1.6
139.11203	1.4
145.10112	1.2
147.11662	1.3
151.11212	1.5
153.09105	2.3
163.11229	1.5
165.12790	2.9
177.12845	2.7
177.73404	1.1
190.05013	1.6
203.12787	3.3
247.20523	1.5
275.20001	8.0
282.78989	1.2
293.21097	100.0
294.21426	5.6
307.22690	5.9
325.12012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	12.6
55.05254	3.6
55.05513	60.5
55.25208	1.7
57.03437	9.3
57.07076	11.7
59.05011	2.3
60.87805	2.1
61.60678	1.8
62.06081	3.1
65.03926	4.2
67.05506	93.7
69.03432	5.7
69.07072	47.2
69.90305	5.9
70.07372	2.0
71.04987	6.0
71.08636	10.2
71.46574	2.2
79.05042	3.4
79.05494	51.9
81.03414	9.2
81.07059	100.0
83.04986	18.8
83.08623	39.5
85.02891	4.7
85.06545	12.1
85.10200	4.6
91.05486	43.5
92.34583	2.0
93.07046	58.1
95.04969	30.1
95.08612	57.9
97.02902	2.4
97.06527	12.4
97.10172	15.2
98.22710	2.2
99.04449	2.2
99.08085	9.1
105.07027	42.0
107.04953	15.2
107.08597	50.4
109.06532	14.2
109.10165	54.6
110.10480	2.0
111.04449	4.8
111.08076	8.4
111.11727	2.9
113.09644	7.6
116.96047	1.9
117.07043	12.7
119.08574	20.4
121.06528	13.2
121.10146	25.8
123.04484	2.3
123.08068	13.5
123.11725	17.8
125.06032	2.1
125.09614	12.6
129.06967	2.7
131.08583	19.2
133.06497	3.4
133.10127	64.1
135.08058	8.7
135.11697	18.6
137.09627	13.3
137.13217	3.1
139.07568	4.2
139.11191	2.3
141.06987	2.4
141.09137	5.7
143.08559	4.1
145.10123	19.7
147.08008	2.6
147.11703	8.5
149.06036	2.0
149.09630	17.9
149.13284	5.9
151.11186	63.2
153.12750	5.7
155.08528	2.6
157.10252	2.2
159.11690	14.9
161.09569	3.2
161.13242	4.6
163.11189	19.6
163.14816	2.5
165.12727	7.3
167.10666	3.3
169.10095	2.7
171.11691	2.8
173.09581	3.7
173.13280	6.2
174.58678	1.9
177.12759	7.3
179.10718	8.2
179.14363	2.2
181.12262	6.8
183.11662	3.7
183.13815	24.9
187.11227	3.4
190.05016	2.2
191.10727	3.4
191.14395	4.0
193.12224	3.1
195.13812	5.3
197.13298	3.4
201.12834	3.1
203.12662	2.4
205.12283	2.6
206.60304	1.8
207.13791	5.6
209.11705	2.2
215.18111	2.7
219.13818	5.1
223.13336	2.0
229.19572	4.7
237.14804	3.4
239.17934	4.1
247.20593	19.2
257.19003	13.3
265.21594	8.6
275.20074	82.5
276.20435	3.6
289.21661	4.6
293.21109	61.9
293.24399	3.4
294.21396	4.4
307.22720	34.1
308.22794	2.6
325.23746	10.9
325.27408	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62696	0.9
55.01864	1.9
55.05508	14.7
57.03443	1.9
57.07079	1.3
65.03929	0.8
67.05502	8.0
69.03416	1.4
69.07058	9.2
71.05006	1.0
71.08630	13.4
71.46783	0.7
79.03013	0.8
79.05486	5.9
81.03455	0.9
81.07050	9.6
81.07512	1.0
82.07339	0.8
83.04987	1.8
83.08601	5.4
84.40129	0.8
85.02948	0.9
91.05482	2.7
93.07034	4.8
95.04964	3.5
95.08612	6.4
96.08927	0.7
97.10165	7.3
99.08089	7.3
100.11298	0.9
105.07045	2.5
105.63553	0.8
107.04974	2.8
107.08575	4.9
108.05797	0.8
109.06524	1.9
109.10165	1.9
111.08056	2.0
117.06995	0.8
119.08590	1.6
121.06494	5.1
121.10219	1.6
123.11704	1.0
124.07549	0.7
125.09640	7.0
129.74858	0.8
133.06503	0.9
133.10127	1.1
135.08086	1.7
135.11700	1.1
149.13263	1.2
151.11227	1.6
153.09074	1.0
153.12718	0.9
164.11951	1.2
177.12755	2.1
187.11093	0.8
190.05016	0.8
195.13942	0.8
202.20607	0.8
203.12788	2.1
275.20108	4.7
279.00418	0.8
293.21085	100.0
294.21545	4.9
297.41394	0.9
301.18314	0.8
307.22702	11.6
316.22232	0.8
325.27252	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01872	1.8
55.05507	11.3
56.39463	1.0
56.66960	1.0
57.07066	3.4
58.45881	1.0
67.05501	12.5
69.03419	2.8
69.07064	18.7
69.63896	1.4
69.64226	3.9
71.04987	2.5
71.08630	19.3
79.05487	7.4
81.07050	22.1
83.05001	1.8
83.08620	2.9
85.02918	1.2
85.06538	2.9
91.05491	6.7
93.07047	11.5
95.04974	9.0
95.08595	18.1
97.06542	5.8
97.10164	2.5
99.08080	19.5
103.12173	1.0
105.07013	9.0
107.04980	1.3
107.08591	10.3
109.05776	1.3
109.06511	24.6
109.10140	5.9
111.08099	1.9
117.06994	1.9
118.88274	0.9
119.08605	6.5
121.06479	6.9
121.10143	6.7
123.08067	2.9
123.11687	2.6
125.09586	1.1
127.07577	1.1
131.08549	5.6
133.10121	3.6
135.08038	3.6
135.11685	2.6
137.09654	1.0
137.13240	1.5
139.11191	6.0
141.09117	1.9
145.10109	4.3
147.11696	3.0
149.09605	2.6
159.08115	1.4
159.11723	3.4
161.09734	1.2
161.13245	2.0
163.11154	4.7
163.14777	1.9
165.12741	47.4
166.13058	1.8
167.10628	1.1
171.11699	1.6
173.13278	3.7
177.12660	6.7
179.14273	2.2
181.15871	13.7
183.11726	1.2
187.14899	1.0
191.14317	4.7
192.98480	1.2
197.23289	1.1
201.12730	1.2
205.15900	1.6
209.15363	2.2
243.21057	1.5
246.27046	1.2
251.16385	5.5
251.23683	2.1
261.22119	22.3
262.22482	1.3
270.42996	1.1
271.20520	3.9
277.71970	1.1
279.23224	6.9
289.21600	49.7
290.21899	3.9
298.81244	1.2
307.22647	100.0
308.22961	7.4
310.30893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01878	3.1
55.05513	14.4
57.03436	5.4
57.07066	9.1
61.31892	2.5
65.03931	3.8
67.05502	92.0
68.64059	2.5
69.07053	15.8
70.45378	2.4
71.04995	5.5
71.08621	4.6
71.46284	3.0
71.58866	2.8
79.05050	3.8
79.05492	64.3
80.05035	2.9
81.07052	94.0
83.04939	2.8
83.08627	13.9
85.06536	7.0
91.05483	32.6
93.07041	81.2
93.07610	5.7
95.04980	6.5
95.08603	66.4
97.06525	7.2
97.10174	6.5
98.97549	6.2
99.08078	6.8
105.07026	27.0
107.08591	53.7
109.06508	6.0
109.10147	39.0
111.08051	5.0
113.09650	3.4
116.98602	5.2
117.07014	16.2
119.07875	2.4
119.08585	19.0
121.06533	3.5
121.10145	62.9
123.08035	4.8
123.11710	25.3
125.09631	6.0
131.08556	28.3
133.10124	26.8
135.08046	3.5
135.10664	3.1
135.11684	64.4
136.12064	3.0
137.09552	3.7
137.13216	6.7
139.11107	5.8
143.08533	3.3
145.10114	26.5
147.11688	19.8
149.09572	4.4
149.13261	30.9
151.11205	4.6
159.11687	27.8
161.13231	5.8
165.12820	3.2
173.13274	14.2
175.14897	4.3
187.14777	6.0
189.16507	3.7
191.14243	2.4
205.15822	3.2
205.19498	21.4
215.17932	69.3
233.18990	100.0
234.19188	3.6
275.20096	6.7
288.23502	2.7
291.23331	3.3
307.13333	2.9
307.22736	16.1
308.25870	4.2
325.17670	9.6
325.23627	27.5
325.29053	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05498	1.9
56.05015	1.3
57.03416	1.3
57.07067	0.7
58.06596	1.1
67.05501	4.6
69.03436	0.6
69.07063	6.5
70.06580	0.6
71.04984	1.7
71.94791	0.4
73.00236	0.4
79.05035	0.8
79.05484	12.0
81.03408	1.1
81.06575	0.6
81.07048	7.9
83.04962	1.7
83.08611	1.5
85.02892	0.9
86.09700	55.6
86.40150	0.4
87.10048	0.7
88.07628	1.0
91.05465	4.4
93.07041	18.2
94.07360	0.6
95.04957	2.4
95.08600	5.0
97.06550	2.2
97.10207	0.6
98.09666	0.6
98.98460	100.0
100.11254	0.5
105.07003	2.5
107.04946	1.2
107.08590	8.7
108.08987	0.6
109.06513	2.0
109.10152	2.1
113.06017	0.6
116.99496	2.2
117.07018	1.6
119.08566	1.7
121.06516	1.1
121.10136	2.3
123.08089	0.9
125.09605	1.3
128.10678	1.0
131.08549	1.5
132.10194	28.8
133.10141	3.4
134.10480	0.5
135.08078	1.7
135.11687	11.6
137.05997	1.2
137.09583	0.7
145.10150	0.8
149.09604	0.6
149.13246	9.6
150.31470	0.5
151.11134	0.8
151.14798	1.2
153.12746	1.5
154.12270	2.5
159.11668	1.5
163.03813	0.5
172.13332	4.9
174.99217	11.0
177.12732	5.4
192.13792	0.6
228.85039	0.5
249.11287	0.5
251.00058	1.9
254.17476	2.5
262.21634	7.5
263.22214	0.6
273.18506	0.8
280.22684	0.7
290.18219	0.9
290.21234	0.6
291.19510	2.4
308.19308	0.7
308.22177	19.3
309.22629	1.0
326.14148	0.9
326.20120	0.5
326.23331	4.5
327.17786	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3054
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
52.27560	0.5
55.05511	8.2
57.07067	2.0
62.06088	100.0
67.05501	5.1
69.07064	9.7
69.90428	1.4
71.08638	0.7
77.70435	0.6
79.05496	2.0
80.34543	0.6
81.07067	5.8
83.08612	6.0
86.54424	0.5
93.07040	4.3
95.08605	4.4
97.06536	0.8
97.10156	2.8
98.06055	0.8
98.98454	7.6
107.08570	2.8
109.10153	2.0
111.11748	0.8
121.10124	2.5
135.11714	1.6
174.99300	1.1
182.13881	0.5
265.25299	0.7
293.14081	0.6
308.29547	3.0
309.27826	6.5
326.30527	31.1
327.30844	2.1
333.11237	0.5
342.48260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44330	1.1
55.01862	3.3
56.77520	0.8
56.96549	3.4
57.03431	5.6
58.06589	0.9
61.02925	1.1
62.75777	0.9
69.03410	2.5
70.02956	10.1
70.55816	1.5
71.01335	1.3
73.02923	2.3
82.99850	2.3
85.02901	3.4
86.09689	1.5
94.99829	1.5
95.02444	0.9
97.02891	2.3
98.97598	7.7
98.98459	94.2
101.00869	19.1
103.03997	1.0
113.00857	16.2
115.02383	1.4
115.03908	1.8
116.98616	3.3
116.99458	1.7
119.01907	30.9
119.02766	1.6
131.01898	26.3
132.02098	0.9
133.03372	1.3
133.04982	2.0
135.00421	1.9
137.02928	3.4
140.82031	0.9
143.01898	7.1
145.03447	1.1
149.02980	1.9
153.01450	5.8
155.01881	14.8
155.03024	1.5
157.03453	13.0
160.06589	0.9
161.02956	16.7
167.01849	5.1
170.03006	1.5
171.02504	53.1
172.02660	1.6
172.94318	5.1
173.02940	22.8
174.03091	2.1
174.97757	1.6
174.99197	13.3
175.04510	4.4
179.04460	1.4
182.02965	2.6
185.02940	17.2
188.05321	0.9
189.03554	100.0
190.03705	6.0
190.95386	2.5
191.04047	2.0
195.02493	12.9
195.04182	1.1
203.03996	2.2
207.02493	8.1
209.04060	2.4
213.03551	83.3
214.03644	4.6
214.95393	7.1
215.03830	7.4
216.98732	1.3
218.98764	1.7
219.02054	3.1
221.01805	1.3
225.03546	33.1
226.03783	2.4
227.05119	6.0
231.04607	41.8
232.04807	2.8
232.96457	16.0
233.05049	24.4
233.07405	1.1
236.99773	2.1
237.03520	6.0
242.98843	1.5
243.04570	8.5
249.03728	2.0
250.97488	6.7
250.99738	1.1
255.04596	10.6
260.99799	4.8
262.03146	4.1
263.02866	2.2
267.04523	3.2
279.00809	3.6
284.99774	15.4
285.05539	2.5
285.99811	2.2
303.00873	13.5
303.06668	3.6
303.17630	0.9
304.01099	1.9
327.06699	79.9
328.03528	1.3
328.06946	5.4
332.10187	1.0
345.01843	6.8
345.07794	6.7
346.04861	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03942	1.3
53.43845	1.4
55.01863	9.0
55.05251	2.9
55.05508	36.3
57.03428	3.4
62.63126	1.5
67.05499	29.6
69.03406	4.6
69.07063	16.0
69.14870	3.1
69.15268	9.0
71.04979	2.9
71.47515	1.7
79.05492	24.1
81.03421	10.1
81.07052	60.3
83.04982	11.4
83.08609	21.6
85.02866	2.3
86.31957	1.5
91.05456	7.7
93.07040	15.9
95.04964	13.0
95.08593	11.4
97.03561	1.7
97.06511	5.1
97.10169	34.7
98.98463	100.0
99.08097	5.8
105.07029	11.3
107.04903	3.1
107.08570	16.1
109.06482	5.4
109.10153	7.6
111.04414	10.4
111.08086	6.5
117.07037	4.2
117.63398	1.6
119.08563	13.2
121.06508	5.6
121.10143	6.1
123.08067	25.2
125.09615	32.3
125.10498	2.4
129.06985	4.0
131.08546	7.6
133.10135	6.5
135.08040	5.2
135.11641	2.5
137.09622	6.8
139.11179	4.6
143.08583	2.2
145.10086	6.1
147.08023	5.8
147.11711	4.1
149.09563	4.9
153.09076	2.9
153.12753	4.1
157.10132	3.4
159.11714	2.6
163.11182	14.1
165.09099	7.3
171.10211	3.8
174.99222	17.2
175.11156	2.1
181.12210	6.5
189.11211	32.7
191.10660	6.5
193.12204	9.1
209.11691	2.3
211.13243	5.7
223.13239	3.4
227.12825	4.8
245.19002	2.7
247.20641	2.5
255.17421	2.8
263.20093	2.9
273.18393	18.3
291.16254	4.1
291.19522	81.5
292.19958	5.5
302.35632	1.7
309.20554	26.6
310.20953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	Plakortenone
Peak:m/z	Relative Intensity
53.45885	1.0
55.01872	1.6
55.05501	3.6
57.52918	1.0
58.20335	1.1
67.05493	3.2
69.07083	2.8
69.50713	1.7
69.51106	2.9
79.05489	2.4
81.07066	9.9
91.05495	1.9
93.21320	1.2
95.04964	1.8
95.08633	2.9
95.24462	1.2
98.98466	100.0
109.06512	3.9
109.10125	1.6
111.04434	6.7
116.99463	1.7
121.10201	1.6
137.05971	45.3
138.06349	1.2
147.11742	2.6
151.07509	3.2
161.09648	1.4
163.07530	3.6
174.99222	14.8
175.11159	1.7
229.40051	1.3
231.17474	4.2
249.18350	1.8
250.99983	2.4
277.17996	34.4
278.18298	1.4
295.19061	2.7
327.11938	6.1
327.15320	2.2
328.32141	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03944	1.7
55.01868	3.5
55.05509	25.2
57.03434	4.7
59.04995	1.2
67.05502	15.0
69.03421	6.2
69.07070	5.9
69.34332	1.1
70.69669	1.3
70.70013	2.0
71.04995	1.6
79.05482	13.5
81.03432	4.0
81.07054	20.4
83.04978	4.4
83.08617	15.6
91.05470	9.5
92.60966	1.0
93.07039	16.8
95.04977	15.0
95.08601	19.3
97.06525	3.5
97.10173	25.7
98.98464	100.0
105.07015	6.8
107.04972	2.4
107.08585	11.0
109.06519	3.7
109.10183	3.4
111.04462	1.5
111.08057	2.5
116.72221	1.0
116.99539	1.1
117.07024	2.7
117.87788	1.2
119.08589	6.2
121.06517	1.4
121.10136	6.9
121.14885	1.1
122.97268	1.2
123.08064	43.1
123.11726	4.2
124.08407	1.5
125.09629	19.3
129.07060	1.5
131.08582	3.0
133.06499	1.8
133.10141	4.8
135.08081	3.2
135.11766	1.1
137.09628	2.9
143.08556	2.1
145.10141	4.3
147.08066	3.1
147.11700	2.2
149.09642	1.5
153.09087	1.7
157.10123	1.6
161.09563	1.3
163.11189	3.5
165.09096	5.2
169.12291	5.0
171.10226	3.6
174.99203	10.7
175.11218	3.0
180.61931	1.1
187.13319	6.1
189.11240	18.1
189.12814	1.9
193.12257	2.6
211.13295	5.6
217.15973	1.4
223.13313	2.8
242.01718	1.1
245.18887	1.4
251.00142	1.9
255.17462	2.2
263.20078	2.1
273.18494	18.7
274.18829	1.2
275.20050	2.4
277.05298	1.1
291.19519	37.3
292.20145	1.7
309.20599	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.02934	1.0
53.03938	1.5
55.01861	5.2
55.05507	23.6
57.03443	2.6
64.71003	1.1
65.56187	1.1
67.05501	13.7
69.03433	4.2
69.07066	8.9
71.04985	1.5
79.05495	14.1
81.03411	7.7
81.07055	31.1
82.07386	1.6
82.75877	1.0
83.04980	8.4
83.08615	16.0
85.06576	1.7
91.05470	8.2
93.07037	9.4
95.04972	6.5
95.08595	8.6
97.06538	4.7
97.10170	27.6
98.98462	100.0
99.08096	4.2
101.09684	1.2
105.06346	1.0
105.07037	5.7
107.04954	2.4
107.08591	11.7
109.06509	3.7
109.10159	4.5
111.04453	5.8
111.08097	4.6
116.99493	1.3
117.07014	3.0
119.08576	6.2
121.06498	2.2
121.10139	6.7
123.08057	17.2
125.09626	23.5
131.08568	3.3
133.10167	2.4
135.08078	4.2
135.11707	3.4
137.09663	2.5
138.88527	1.0
139.11186	2.4
143.08650	1.1
143.61314	1.2
145.10103	4.4
147.08102	2.3
147.11713	2.7
149.09558	1.8
153.09114	2.9
153.12659	1.1
157.10068	2.9
159.08151	1.3
159.11734	2.0
163.11151	7.4
165.09087	4.2
171.10147	4.1
174.99226	12.9
175.11208	2.7
177.12708	2.0
181.12271	2.9
189.11211	31.7
189.12802	2.4
191.10645	3.9
193.12242	3.8
196.85030	1.0
211.13318	2.7
216.21805	1.3
223.13289	1.9
227.12784	3.4
237.14748	1.7
245.19037	2.2
249.14799	1.6
250.99994	1.9
255.17558	2.4
273.18558	10.2
291.19507	47.6
292.19861	3.0
309.20554	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03933	3.0
55.01866	9.3
55.05506	8.8
56.42752	0.8
57.03429	2.1
57.07059	3.6
60.04519	0.9
67.05505	13.1
68.17621	1.1
69.03410	1.5
69.07074	6.4
71.04988	2.0
71.08617	1.9
74.06063	3.9
77.03948	2.9
79.05486	8.6
81.03403	2.4
81.07047	13.7
83.04960	2.3
83.08603	3.6
84.97857	0.7
85.06519	1.6
91.05473	12.5
93.07037	28.2
95.04965	27.4
95.05469	0.7
95.08023	1.5
95.08605	19.0
97.06516	5.1
97.10158	3.1
98.98460	100.0
99.08115	1.0
103.05461	1.4
105.04505	3.5
105.07025	19.3
107.04939	1.7
107.08588	12.8
109.06509	4.5
109.10158	9.2
111.08046	0.9
113.41959	0.8
115.05453	1.7
116.99480	1.2
117.02563	0.8
117.07001	5.3
119.06028	1.0
119.08568	17.0
121.06525	4.8
121.10146	8.7
123.08083	4.7
123.11708	3.1
125.09610	13.1
125.74727	0.8
128.06232	1.8
128.49121	0.9
129.06995	3.7
130.07805	1.1
131.08569	8.4
133.06502	0.9
133.10121	12.5
135.08066	3.3
135.11662	4.9
137.09593	1.9
141.06989	1.7
142.07767	2.8
143.08604	6.3
143.09570	1.3
144.09308	1.6
145.10117	11.4
147.08028	1.0
147.11694	4.4
149.09647	2.0
151.11191	2.2
152.06201	9.9
153.06979	8.2
155.08650	1.2
156.09309	1.5
157.10097	9.9
159.08026	1.6
159.11688	12.8
161.09564	4.8
161.13188	1.4
163.11171	1.9
168.05727	2.9
168.09241	1.0
169.10126	4.9
171.11696	5.2
173.09566	1.5
173.13225	5.7
174.99210	13.8
175.01622	0.9
175.14812	6.9
177.12747	2.2
181.10130	1.4
182.10912	1.1
183.11670	2.2
185.13254	2.4
187.11154	1.6
187.14827	4.2
189.12671	1.3
189.16426	1.1
193.10094	1.3
197.13248	3.5
199.14807	3.6
201.12790	0.8
209.13205	1.9
211.14799	2.3
213.16417	1.6
215.02519	1.8
215.14467	1.1
223.14767	1.3
227.14420	1.3
228.09352	2.1
229.10023	2.0
229.15952	1.4
233.03586	10.5
235.14870	1.4
239.17908	0.9
247.20422	1.0
251.00114	1.4
251.04623	5.1
253.15770	1.3
257.18915	1.3
259.20450	1.5
275.19998	2.3
277.21478	1.1
293.21152	4.2
302.05283	0.9
309.22110	2.7
327.07770	41.1
327.23181	4.0
328.08078	4.0
328.35703	1.7
341.26434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.07070	2.5
57.19461	0.9
67.05508	6.9
69.07063	5.4
69.83082	2.1
69.83464	1.9
71.04988	1.2
74.06081	1.8
79.05490	4.3
81.07050	8.6
83.08633	1.7
91.05474	8.5
93.07040	18.8
95.04966	21.1
95.08605	15.2
97.06530	5.7
98.22800	1.4
98.98465	100.0
99.08063	1.1
100.11252	2.6
105.07027	15.1
107.08595	11.4
109.06521	2.7
109.10149	5.3
116.99507	2.0
117.07011	4.7
119.08577	13.3
121.06488	4.1
121.10133	10.6
123.08063	3.5
123.11718	2.6
128.06177	1.2
129.06998	2.6
130.07716	1.1
131.08585	6.3
133.10124	12.7
135.08075	4.1
135.11700	4.8
137.09589	2.2
142.07745	1.8
143.08551	4.4
144.09354	1.4
145.10123	10.3
147.11691	4.2
148.10234	1.0
149.09647	1.7
149.13222	1.2
153.06926	0.9
155.08583	1.6
157.10110	8.3
159.08096	1.4
159.11676	11.1
161.09639	4.3
161.13278	1.7
169.10149	3.0
171.11668	2.4
172.12419	1.1
173.13235	4.5
174.99234	14.9
175.14816	6.4
176.23581	0.9
183.11679	2.5
185.13298	2.6
187.11295	1.3
187.14801	3.6
189.16403	1.1
193.10251	1.4
195.11752	1.1
197.13263	3.2
199.14850	2.8
201.16362	1.5
203.14278	1.2
209.13319	1.5
211.14835	1.4
213.16483	1.4
215.14360	0.9
217.15865	1.7
223.14806	1.1
225.16406	1.3
229.15746	1.0
239.17941	1.0
250.99989	2.2
282.45148	1.1
309.22040	3.0
310.31097	1.3
327.08188	1.8
327.23239	4.0
327.33804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	(-)-Stephadiolamine beta-N-oxide
Peak:m/z	Relative Intensity
58.06604	3.0
70.06586	14.6
72.08144	4.7
77.01575	0.4
80.04994	0.4
81.07068	0.5
84.04500	0.9
86.06061	0.5
86.09698	1.2
88.03970	0.7
91.05458	0.7
98.98460	100.0
99.98875	0.6
100.98897	0.7
105.07056	0.4
116.99490	2.2
118.08662	2.1
119.04943	0.8
132.04463	1.8
136.07555	0.5
137.05992	1.5
138.05428	0.4
147.04404	1.5
150.05525	1.3
153.05475	0.4
161.05945	0.5
162.05502	1.2
165.05493	0.4
167.07040	0.9
169.13327	3.0
174.99217	9.9
175.99606	0.8
176.98882	4.0
177.00027	0.3
178.08621	0.5
179.07011	1.5
179.91690	0.3
183.11343	0.6
183.14893	1.0
185.43402	0.4
194.00310	1.7
195.08176	0.3
197.12856	2.8
205.06514	1.7
206.08347	0.5
207.01082	0.6
209.02661	6.7
211.14453	0.7
215.13907	1.9
219.08110	0.3
222.06810	0.7
222.08961	0.5
223.07495	3.2
229.15489	1.2
231.97224	0.3
233.05986	1.5
237.08966	0.5
240.07956	0.4
242.07933	0.4
250.08556	0.7
250.99965	1.2
251.07063	7.5
252.06717	0.9
252.99675	1.9
264.10144	0.7
265.08536	1.0
266.08102	4.0
267.08798	0.7
268.07169	0.7
268.09805	0.7
270.07681	0.7
278.08109	0.4
280.06018	0.6
281.06808	0.7
282.11304	1.1
283.09579	5.4
284.04840	0.4
294.07642	1.0
295.08389	1.5
296.09058	2.7
297.06299	6.3
297.11160	1.0
298.07022	3.3
299.07776	0.5
310.10712	0.7
312.08627	78.2
313.09348	28.0
314.04138	0.8
314.09799	1.4
328.11777	76.2
328.15320	7.1
328.21478	1.7
329.06714	2.0
329.12054	5.2
329.15704	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1544
Annotation	N-Methylflavinantine
Peak:m/z	Relative Intensity
57.03438	0.7
58.06598	16.5
59.04998	18.7
69.03431	0.6
69.96286	0.6
69.96609	1.2
70.06587	1.0
72.08146	1.7
73.06553	31.8
85.02921	2.9
86.09695	2.2
97.02872	0.7
98.98462	72.8
116.07108	2.0
116.99526	1.4
117.09142	4.8
120.08131	0.5
131.10649	3.3
149.11726	25.4
153.06920	0.5
167.08574	2.0
174.99223	7.4
176.98883	2.9
177.06955	5.4
181.06412	1.0
185.16483	1.0
195.08067	2.5
197.05949	0.8
205.06477	24.7
206.06696	1.1
212.08324	1.2
213.16141	0.7
223.07530	36.4
224.07910	2.4
226.06274	1.1
227.07027	0.6
233.05959	19.4
234.06325	1.3
240.07802	3.4
250.06441	0.6
251.07016	100.0
252.07365	5.9
253.08717	0.7
268.07257	6.3
269.07455	0.6
283.09625	83.2
284.09961	5.4
328.15408	77.5
329.12088	1.1
329.15726	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62585	0.7
50.85497	0.8
52.08988	0.8
53.03938	0.9
57.03434	9.1
57.07072	8.6
61.02909	2.0
67.05499	5.1
69.03422	8.6
70.95703	1.0
70.96038	1.0
71.04980	3.3
81.03407	4.2
85.02897	14.8
85.06539	15.2
87.04479	1.6
95.04964	11.9
97.02889	10.8
98.98460	34.8
99.04449	1.4
103.07572	100.0
104.07901	2.1
109.02859	3.5
113.06001	27.5
114.06273	1.1
121.03047	0.9
127.03886	14.7
131.07010	1.1
145.04945	13.6
149.08083	29.4
150.59090	0.8
154.01109	0.9
166.10713	4.1
174.99210	2.7
176.98981	1.0
180.08679	3.4
213.07668	1.1
231.08650	3.5
232.96461	0.9
275.11328	6.0
284.44327	0.9
293.12320	4.3
295.39511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27871	0.5
51.53872	0.5
51.85715	0.5
57.03437	6.1
57.07074	6.2
59.04989	0.5
61.02916	1.0
62.56174	0.5
67.05500	5.5
69.03425	2.3
69.73853	2.0
71.04987	2.0
81.03420	0.8
85.02901	8.6
85.06547	13.5
87.04484	1.1
89.06042	1.4
95.04971	9.7
97.02890	1.9
98.22691	0.7
98.98468	50.2
99.04441	0.8
99.49348	0.6
103.07581	100.0
104.07911	1.4
109.02913	0.8
113.06007	23.8
114.06341	0.7
116.99529	1.0
127.03899	1.2
145.04968	1.4
149.08092	31.7
174.99234	3.3
176.98933	1.5
205.75195	0.6
218.28526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.6
57.07081	7.6
61.02933	1.8
67.05511	5.5
69.03442	2.3
70.50860	1.1
71.05006	3.7
71.64445	0.9
77.01642	1.0
81.03449	1.2
81.76591	1.0
85.02913	13.7
85.06550	12.5
89.06038	17.6
89.06544	1.5
95.04977	11.3
97.02916	3.7
98.98476	93.7
99.04470	2.8
103.07589	100.0
104.07925	1.4
109.02886	1.1
113.06012	28.0
116.99548	1.3
127.03963	2.2
131.07066	2.3
138.75351	0.9
145.04961	2.3
149.08110	47.0
174.99257	11.3
176.98930	3.8
252.99745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44570	0.3
57.03433	1.2
58.06592	0.7
59.05005	29.8
61.02930	1.0
69.03428	0.9
70.06606	2.0
70.99861	0.5
72.08157	2.1
73.06560	46.8
74.06890	0.7
81.03416	0.5
83.22199	0.3
85.02918	4.2
86.09709	4.4
91.03963	0.5
97.02908	1.2
98.98473	100.0
100.98897	0.5
116.07109	3.5
116.99518	1.7
117.09137	6.0
120.08118	0.9
127.04006	0.9
131.10689	5.1
142.84833	0.4
145.04984	0.6
149.11740	35.4
150.12086	0.6
174.99242	9.5
175.99594	1.0
176.98933	3.1
181.05005	0.5
185.16519	1.3
213.16011	1.2
223.07657	0.7
233.06001	0.4
233.09491	0.4
251.00061	0.7
251.07045	2.5
252.99797	1.7
283.09668	2.0
312.99115	0.4
328.15308	1.7
329.12024	0.9
329.15747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33883	0.6
55.05494	2.3
56.05037	0.8
57.03423	2.3
58.06582	1.5
60.04525	3.9
66.62984	0.6
67.05505	5.9
68.05023	3.5
69.03423	2.7
69.07067	1.4
69.62631	1.4
69.63002	1.5
70.06590	1.1
72.04514	10.0
72.08165	0.8
74.06069	3.0
79.05490	8.7
80.05011	0.7
81.07050	6.8
84.04498	1.6
85.02895	6.0
85.86122	0.6
86.06064	1.5
91.05469	2.0
93.07043	6.2
94.06577	1.4
95.04985	1.2
95.07330	0.7
95.08597	9.7
96.04493	1.2
98.06039	3.2
98.23382	1.3
98.98462	90.6
105.07018	2.6
106.06541	0.8
107.08587	14.9
109.06499	0.8
109.10166	6.0
114.05521	2.2
116.07112	1.0
116.99532	1.6
118.06522	0.9
119.08580	1.8
121.02861	4.5
121.10145	3.1
125.06030	0.8
128.07060	2.5
132.06544	5.7
132.08101	0.7
133.10135	1.6
134.08102	6.8
136.07553	1.3
137.05965	0.9
146.08090	8.3
149.13237	9.3
150.07605	7.6
151.11154	1.1
151.14842	3.1
161.13310	1.4
167.14230	0.9
174.09158	4.5
174.99194	8.0
176.98936	3.8
178.07167	2.1
179.14313	1.5
192.10284	3.3
197.10484	1.5
208.17007	0.9
208.66068	0.7
210.11229	21.7
211.12001	10.3
224.12770	2.1
239.15109	1.3
240.15985	2.8
246.16354	0.8
250.99861	0.8
252.99785	1.2
254.17429	0.9
260.20892	0.7
264.19553	1.1
282.20618	100.0
283.20914	5.1
328.21219	80.9
328.25183	1.9
329.15689	41.0
329.21555	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.4
57.03432	17.6
61.49743	2.3
67.05508	19.0
69.07065	9.4
69.26934	13.1
79.05493	27.9
81.07062	20.4
83.08604	4.6
85.06548	4.1
88.16063	2.0
91.05482	22.9
93.07039	34.8
95.05001	3.3
95.08610	17.6
97.06512	3.6
97.10150	2.4
98.98460	69.7
102.66664	2.7
104.42651	2.6
105.07018	27.1
107.08589	23.5
109.06554	5.5
109.10167	4.5
117.07031	8.3
118.08178	2.1
119.08583	32.7
121.10132	12.3
123.08050	3.2
129.06952	3.4
131.08575	13.3
133.10135	17.0
133.10991	2.9
135.11668	3.9
145.10117	10.1
147.11688	10.6
149.09647	4.5
157.10146	2.2
159.11694	15.9
161.13242	7.0
163.11259	3.5
169.10187	2.7
173.13358	5.9
174.99283	7.6
177.12671	2.9
185.13225	17.8
201.16460	6.3
203.14339	13.2
219.17400	17.2
221.15303	26.9
239.17926	3.8
257.18964	18.8
275.17017	5.5
275.20044	100.0
276.20496	5.5
293.21051	4.4
324.00925	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.3
55.05512	57.4
57.03428	4.0
59.53202	1.9
65.03963	2.5
67.05507	30.0
69.03419	8.0
69.07071	28.8
69.52650	4.0
79.05495	39.2
81.03395	3.6
81.07058	34.7
83.04977	6.7
83.08622	37.8
85.06566	3.0
89.22908	2.1
91.05481	22.9
93.07047	24.5
95.04959	6.5
95.08610	18.7
96.20954	2.2
97.06553	3.1
97.10175	68.2
98.98471	64.2
105.07038	23.4
107.04951	2.2
107.08597	76.1
109.06496	4.6
109.10149	9.7
111.08086	3.8
117.07018	4.1
119.08592	16.9
121.10137	12.3
123.11662	3.1
125.08704	3.7
125.09634	65.6
131.08594	5.9
133.10135	15.4
135.08083	6.5
135.11743	2.5
137.09648	2.4
138.42754	2.3
145.10172	10.0
147.11705	9.4
149.09642	8.4
153.09119	6.3
156.83853	2.3
157.10201	4.3
159.11691	6.0
161.13268	7.1
163.11188	4.3
163.53242	2.0
171.10214	19.8
171.11583	3.4
173.11852	3.8
173.13231	4.9
174.99202	8.4
176.99025	2.9
181.12236	3.2
189.11227	96.6
190.11519	3.9
221.15263	2.2
229.19594	3.1
239.18011	2.6
257.18997	9.6
275.20071	100.0
276.20401	9.0
293.21063	21.0
311.22122	3.5
329.17047	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37222	0.8
53.03933	1.0
55.01869	18.3
55.05511	12.8
56.05034	3.9
57.03429	1.2
57.07067	1.2
58.06622	1.0
60.04520	11.4
67.05502	16.3
68.05830	0.9
69.03419	2.0
69.07062	11.9
70.06602	1.5
71.04984	1.5
71.08633	1.0
72.04514	1.6
74.06076	97.9
79.05480	8.9
81.03415	2.2
81.06577	1.2
81.07051	14.8
83.04961	3.1
83.08620	5.2
85.06536	1.9
86.06053	1.6
91.05474	6.0
93.07040	9.4
95.04973	5.5
95.08611	10.3
96.08955	0.9
97.06523	3.1
97.10152	5.2
98.98460	100.0
99.08057	1.2
100.98901	1.7
104.99266	2.3
105.07028	3.8
107.04963	3.4
107.08580	5.6
109.06541	2.2
109.10166	4.8
110.06065	1.8
116.99493	2.4
117.07017	1.6
119.08573	3.9
120.08912	0.8
121.06490	1.0
121.10156	3.6
123.08157	1.0
125.09621	29.9
130.08664	1.5
131.08543	2.4
133.10115	2.9
135.08035	2.9
135.11667	4.7
137.05984	5.8
137.09633	3.8
138.06294	4.6
139.11165	1.1
140.01091	0.9
145.10133	2.5
149.09628	1.3
151.11198	4.1
153.12775	1.9
159.11668	1.7
163.11169	1.3
165.12778	1.4
167.10666	3.2
174.99196	11.5
176.98900	4.5
177.12759	3.6
181.12302	1.1
182.51688	0.8
189.11247	1.1
191.14308	1.8
195.13831	1.4
209.11821	0.8
217.14458	4.4
232.17879	0.9
250.18851	1.1
251.00067	1.2
252.99710	2.4
257.19220	1.7
258.21930	1.1
265.21658	1.1
275.20044	9.3
278.18243	7.9
280.26349	1.2
292.26227	1.1
293.17966	1.3
293.21124	12.1
294.21390	1.0
297.01578	0.9
310.27545	1.5
328.19299	2.0
328.22610	2.0
328.28403	8.3
328.32672	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93766	1.5
54.54171	1.4
55.01876	6.0
55.05516	14.1
64.53771	1.4
66.39146	1.5
67.05512	12.6
68.23943	1.5
69.03439	1.3
69.07070	6.8
69.84998	4.4
71.05000	4.2
79.05499	15.1
81.03419	2.1
81.07060	18.1
83.04992	7.2
83.08618	7.2
91.05480	8.6
93.07041	11.3
95.04962	8.5
95.08617	8.8
97.06557	7.9
97.10190	8.0
98.98472	100.0
100.98916	2.1
105.07035	10.9
107.04931	2.3
107.08607	27.1
109.06536	3.3
109.10164	4.9
111.04440	3.8
113.05993	3.4
119.08566	6.6
121.10179	3.9
123.08093	2.2
123.11761	1.6
125.09639	12.6
131.08597	4.3
133.10135	5.3
135.08070	1.7
135.11661	2.6
139.11194	1.6
145.10127	5.6
147.11705	5.2
149.09642	3.9
153.12726	2.6
154.72231	1.6
159.11703	1.9
161.13217	1.6
163.11227	3.8
167.10681	1.8
174.99229	10.8
176.98940	4.5
177.12762	1.6
182.34868	1.5
189.11224	8.5
198.64932	1.8
205.12262	2.3
223.13342	4.6
250.99950	2.1
251.16574	1.6
252.03499	1.7
257.18958	4.7
275.20065	29.7
293.21124	26.6
294.21411	1.5
311.22058	2.8
328.32053	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	3.4
55.05255	1.4
55.05511	19.3
57.01446	1.0
57.03437	4.7
57.07061	1.7
59.04988	0.9
60.47589	0.8
65.03952	1.9
67.05502	53.6
68.05824	1.0
68.24937	0.8
69.03438	1.7
69.07064	23.3
71.04999	5.0
79.05492	23.8
80.05783	1.1
81.03415	1.4
81.07053	65.4
82.07391	1.0
83.04979	4.3
83.08618	13.9
85.02879	0.9
85.06548	2.9
86.46098	0.8
91.05476	19.2
93.07043	26.4
93.07607	1.7
94.07342	0.8
95.04962	6.3
95.08602	25.5
97.06511	7.3
97.10166	11.8
98.22681	1.5
98.98464	100.0
99.08094	2.9
105.07023	15.5
106.46622	0.8
107.04951	3.4
107.08586	23.1
108.08911	0.9
109.06514	5.3
109.10154	25.9
110.06805	0.9
111.08100	5.2
113.06001	0.9
116.99490	1.6
117.07029	5.6
119.08586	15.0
121.06498	2.7
121.10139	11.5
123.08092	4.5
123.11720	4.3
124.27871	0.7
125.09623	8.3
129.07034	1.3
131.08543	10.1
131.09302	0.8
133.10115	14.9
135.08063	3.5
135.11671	7.5
137.09589	4.5
137.13316	0.9
138.12756	1.3
139.07553	1.6
139.11203	1.5
143.08626	1.4
143.10670	1.1
145.10120	8.1
147.08072	1.3
147.11674	9.5
149.09633	8.1
149.13234	13.6
151.11182	2.4
155.10660	6.3
157.10146	2.9
159.11693	10.8
161.09615	1.1
161.13255	3.6
163.11215	4.6
165.09065	1.0
165.12813	2.2
169.10098	1.3
171.10216	1.3
171.11626	1.4
173.11748	23.8
173.13228	3.3
174.12498	0.8
174.99236	9.1
175.11288	1.0
176.98953	3.3
177.12704	5.3
179.14305	1.9
181.12268	0.8
183.11682	1.8
187.11198	1.4
189.11221	10.7
189.12802	1.4
195.13783	25.7
197.13226	1.1
201.12709	0.9
213.14799	9.5
218.59982	0.7
229.19484	2.3
232.58043	0.9
239.17958	3.9
247.20549	2.9
249.18727	1.2
252.99547	1.0
257.18994	6.2
265.21533	1.2
275.20053	48.1
276.20401	3.4
293.21063	14.7
310.23627	1.0
328.15283	1.1
328.24863	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
55.05509	48.7
66.06741	1.3
67.05495	20.4
69.03436	7.4
69.07061	15.5
69.78690	5.4
71.78980	1.4
79.05491	32.0
81.07062	16.6
82.31006	1.5
83.04990	4.2
83.08615	39.3
85.06540	1.5
91.05475	11.1
93.07045	14.6
95.04955	2.3
95.08609	6.7
97.10165	78.1
98.10488	1.8
98.22746	2.7
98.98489	3.7
105.07031	13.6
107.04932	2.2
107.08587	91.6
108.08906	2.2
109.06536	2.8
111.08086	2.1
112.19833	1.4
117.06989	2.5
119.06109	2.1
119.08555	7.2
119.55302	1.5
121.10160	3.2
125.09627	68.6
126.10008	1.5
131.08566	4.4
133.10098	8.3
135.08037	4.4
135.11688	2.6
143.10617	3.9
145.10115	6.9
147.11679	6.3
149.09602	3.0
153.09093	5.1
159.11678	4.7
161.13249	2.9
170.11626	1.8
171.10167	20.0
171.11574	2.2
181.12172	3.6
189.11208	100.0
190.11589	5.2
257.18964	10.2
275.20059	82.2
276.20453	7.4
293.21057	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77087	2.5
52.00582	2.4
53.03960	4.4
55.01863	3.4
55.05511	35.5
57.03439	7.3
57.66048	2.9
66.28948	2.6
67.05502	81.8
69.03427	10.1
69.07066	33.2
69.69144	11.3
71.04997	8.7
77.03954	3.4
79.05488	68.4
81.03424	8.2
81.07051	86.3
83.04987	8.8
83.08617	22.7
85.06571	4.1
91.05481	66.1
93.07042	100.0
95.04958	25.8
95.08609	37.8
97.06518	15.2
97.10159	19.6
98.09689	4.5
98.98464	66.5
105.04534	3.3
105.07027	51.1
107.04951	4.3
107.08587	56.9
109.06500	6.1
109.10154	29.8
111.08080	8.3
117.07037	9.0
119.08590	36.0
121.06443	3.8
121.10149	36.3
123.08076	7.3
123.11748	8.7
125.09610	14.0
131.08539	18.5
133.10123	38.7
135.08043	4.0
135.11720	23.2
137.09625	13.6
138.20183	2.5
143.08575	5.6
145.10138	18.2
147.11681	24.4
149.09619	10.4
149.13255	8.7
155.10583	2.9
157.10182	5.5
159.11716	12.6
161.13245	5.5
163.11203	3.3
171.10197	5.2
173.11754	11.7
173.13271	6.6
174.99271	7.4
175.14865	3.5
177.12611	4.1
181.12262	11.2
189.11211	17.8
193.12294	2.9
195.13829	8.1
235.16933	13.3
247.20601	4.6
257.18851	4.6
275.20035	54.1
293.21161	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.6
55.05513	39.5
57.07064	12.9
64.73538	5.5
67.05503	100.0
69.07065	65.5
69.24141	5.4
71.04985	10.9
71.22074	6.3
74.06071	19.5
79.05502	37.2
81.03385	5.6
81.07058	84.8
83.04976	16.5
83.08630	35.1
85.06550	14.1
85.76935	5.6
91.05466	35.3
93.07051	57.1
95.04967	23.4
95.08611	47.6
97.06550	25.9
97.10201	5.4
98.22974	12.5
98.98467	96.1
105.07018	33.6
107.08595	50.1
109.06528	10.9
109.10155	78.6
111.08090	8.0
119.08578	18.0
119.11349	6.3
121.10134	20.0
123.08073	11.1
123.11658	6.1
131.08597	14.3
133.10130	92.1
135.08087	8.3
135.11684	51.8
137.09631	17.2
142.88213	6.2
145.10110	16.8
147.11707	9.6
149.09613	7.9
151.11182	38.1
153.12743	30.7
163.11177	12.5
165.09058	5.7
169.12306	11.4
174.99213	8.1
177.12740	9.1
179.10663	6.6
201.14691	5.2
211.56294	5.2
217.14339	56.2
217.18976	6.4
228.48456	5.5
236.48383	5.4
247.20547	11.1
254.08052	6.2
265.21686	11.7
271.77118	6.4
275.20111	79.5
293.21136	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05510	4.1
56.05037	4.5
57.03431	0.8
57.07067	1.0
58.06599	0.7
60.04525	12.8
67.05501	5.1
68.05026	0.5
69.07070	6.3
69.32677	1.8
70.06586	1.0
71.05001	0.4
71.08629	0.5
72.04510	1.7
74.06078	100.0
75.06427	0.6
79.05500	3.6
80.05034	0.4
81.03396	0.4
81.07053	6.3
82.06579	0.8
83.04971	1.0
83.08622	2.5
85.06520	0.4
86.06052	0.9
88.07598	0.8
91.05466	1.9
92.01324	0.3
93.07041	4.1
94.06556	0.8
95.04998	1.1
95.08601	4.8
96.08131	0.4
97.06536	2.6
97.10187	0.8
98.98466	39.5
104.99291	0.8
105.07041	1.1
107.08603	2.9
109.10155	2.3
111.04470	0.5
111.08087	0.6
111.11754	0.7
111.68348	0.4
116.99503	0.7
119.08600	1.0
121.10149	1.2
123.11757	0.4
125.09663	1.1
130.08665	0.6
133.10185	0.8
135.08037	0.4
135.11685	3.9
137.05991	1.3
138.06386	1.0
140.01146	0.4
145.10162	0.4
146.10574	0.3
149.83289	0.3
153.12712	2.8
163.11198	0.7
174.99226	3.4
176.98952	1.5
181.73146	0.3
217.14334	5.6
251.80002	0.4
252.99690	0.8
265.21588	0.6
275.19974	1.7
278.18192	1.6
280.26416	1.1
292.26495	0.7
293.21063	5.4
298.27573	0.5
310.27527	1.2
328.15433	0.5
328.19629	0.4
328.24542	0.5
328.28525	10.7
328.32181	4.3
329.17145	0.4
329.28894	0.4
344.65530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2088
Annotation	HU-331
Peak:m/z	Relative Intensity
51.38256	0.4
59.32886	0.4
59.52545	0.4
70.06595	0.5
70.51558	0.5
70.51875	0.5
83.96997	0.4
84.17204	0.5
91.66438	0.4
93.07044	0.4
98.08942	0.4
98.98471	26.2
104.99258	1.0
116.99500	0.7
152.21782	0.4
174.99260	1.8
176.98930	1.0
232.09680	0.4
247.00450	0.7
329.20865	100.0
330.21198	7.1
330.33707	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.00961	0.2
52.83969	0.2
55.01865	0.5
55.05505	1.9
56.42447	0.2
57.03438	1.1
57.07072	0.2
67.05502	3.4
69.07067	2.1
71.04993	1.5
71.06145	0.3
79.05496	3.1
81.03415	0.6
81.07049	3.4
83.04963	0.8
83.08612	1.0
85.06528	0.7
91.05479	2.3
93.07045	3.7
95.04951	0.7
95.08600	2.8
97.06523	1.0
97.10169	1.0
98.98462	100.0
99.08120	0.4
100.98871	0.8
104.99259	0.3
105.07037	2.0
107.04935	0.5
107.08585	3.0
109.06516	0.9
109.10165	1.5
111.08108	1.1
116.99493	2.0
117.07010	0.8
119.08568	1.6
121.06481	0.5
121.10147	1.6
123.08054	0.7
123.11632	0.2
125.09624	0.9
129.06975	0.3
131.08578	1.0
133.10126	1.1
135.08064	0.7
135.11671	0.8
139.11192	0.9
140.01080	0.9
145.10135	1.0
147.11659	0.7
149.09628	0.7
159.11719	0.6
161.13303	0.6
171.11583	0.4
172.01357	0.3
173.06114	0.3
173.13249	0.7
174.99213	9.3
175.14925	0.3
175.99611	0.2
176.98903	4.7
185.13309	0.5
187.14836	0.5
188.08940	0.4
189.11240	0.6
201.16425	0.3
203.12721	0.8
205.15883	0.3
210.10587	0.2
211.13158	0.2
219.17790	0.3
221.15459	0.4
223.16902	0.2
239.17943	0.3
247.00351	0.3
251.00037	0.7
252.99667	1.6
257.18994	0.7
275.20023	5.6
276.20334	0.6
293.21100	1.9
298.68213	0.3
329.09882	3.8
329.17340	0.7
330.10211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.0
57.03436	2.1
57.07064	3.5
67.05503	51.3
69.07066	21.3
71.04989	6.1
71.08627	1.7
74.06055	2.2
79.05495	12.9
81.07055	61.4
83.04978	2.0
83.08611	9.9
85.06536	5.5
85.87843	1.5
91.05469	8.3
93.07037	15.6
95.04968	2.7
95.08606	53.5
95.09215	2.8
97.06528	6.3
97.10157	6.5
98.22621	3.2
98.98466	100.0
99.08118	2.5
105.07050	6.1
107.08582	12.8
109.10162	30.0
111.08054	2.7
111.11711	1.8
116.43395	1.8
117.07006	2.8
119.08562	8.0
121.10143	17.1
123.08089	2.6
123.11710	16.0
125.09642	2.1
131.08565	6.0
133.10126	5.9
135.11673	11.1
137.09665	1.8
137.13254	6.9
139.11221	2.6
145.10114	6.8
147.11650	7.7
149.13258	2.7
151.11195	3.7
151.14842	2.8
152.11455	1.9
159.11707	3.1
161.13254	6.7
163.14761	2.5
165.12817	3.2
173.11751	2.4
173.13237	3.0
174.99246	12.6
176.98978	5.6
177.16402	2.7
179.14357	3.9
187.14883	3.4
205.15839	1.7
209.15337	2.2
223.16808	2.4
243.20978	8.0
261.22107	15.9
279.23187	49.7
280.23538	3.6
293.24899	2.3
294.21533	3.0
297.24158	4.3
311.25836	4.0
314.07629	3.4
329.10077	3.0
330.30042	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03433	10.0
57.07053	0.6
61.02931	3.0
67.11614	0.6
69.03424	8.1
70.06592	1.9
71.01337	0.8
71.04957	0.6
71.46018	0.6
72.08159	0.9
73.02915	21.9
73.20732	0.6
75.99588	0.6
81.03411	1.5
85.02402	1.2
85.02898	17.4
87.04439	1.3
91.03888	0.7
91.05465	1.4
94.93028	1.0
97.02892	13.2
98.98463	100.0
99.04453	0.8
99.98872	0.7
100.98871	1.6
103.03941	0.7
103.07585	1.1
109.02879	1.5
112.89598	0.9
114.89362	0.7
115.03927	14.6
116.99511	1.6
118.08640	1.5
127.03925	5.1
128.74454	0.7
132.06572	0.6
133.04968	6.8
134.08153	1.0
137.05959	2.7
145.04974	7.9
147.04367	0.9
150.07614	1.6
151.06012	1.0
156.04170	1.1
163.06003	4.3
174.99245	5.3
176.98907	7.5
187.05881	0.8
198.09814	1.3
208.73389	0.6
223.06081	0.9
232.90140	1.9
232.92256	0.8
241.07111	1.5
252.99724	1.6
254.99545	0.8
259.08136	2.3
266.48157	0.6
295.10248	3.5
330.05695	0.7
331.01929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.2
55.05516	59.4
57.03442	11.6
57.07082	13.6
65.06065	3.7
66.98476	3.4
67.05509	80.7
67.54991	3.1
68.05804	5.3
69.03444	11.3
69.07076	45.4
69.69735	10.9
71.04993	8.1
71.08647	15.4
79.05498	62.3
79.86909	3.3
81.03418	5.0
81.07059	100.0
83.05000	27.7
83.08627	31.6
85.06572	10.1
87.04475	10.6
90.90842	3.7
91.05489	40.8
93.07050	78.0
95.04997	9.9
95.08611	65.3
97.06531	22.1
97.10170	21.2
98.22684	6.3
98.23331	7.8
98.98475	46.4
99.08102	18.0
100.11278	6.9
104.82404	3.9
105.07052	27.4
107.08607	38.2
109.06518	7.7
109.10152	16.5
111.08129	8.5
117.07056	12.2
119.08600	20.7
121.06468	3.1
121.10169	21.5
123.08073	6.0
123.11750	8.3
125.09675	16.6
129.07051	3.9
130.46645	3.4
131.08609	11.1
133.10165	23.5
135.08163	5.2
135.11681	28.9
137.09703	4.3
139.11185	43.5
145.10136	5.1
147.11708	15.4
149.13263	32.2
151.11169	9.2
157.10205	4.7
159.11716	20.0
161.13318	13.0
163.14769	4.1
177.12796	11.0
179.14278	5.1
189.11247	16.3
193.12270	6.4
195.13823	62.5
207.13791	6.3
213.14984	3.4
241.19608	7.1
249.22090	4.2
277.21661	71.3
278.21964	4.7
295.22638	35.7
330.30133	8.3
330.33740	8.1
331.18845	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
53.34008	5.8
55.01878	9.5
55.05507	59.9
55.79908	5.6
57.03437	10.3
57.07071	13.3
67.05508	80.6
69.03442	5.4
69.07054	27.7
71.04965	13.8
71.08627	20.5
79.05487	68.1
81.07059	100.0
83.04984	31.2
83.08620	23.4
85.06513	9.3
91.05470	30.3
93.07041	79.8
95.04987	12.8
95.08599	55.7
97.06540	20.0
97.10190	9.6
98.98491	7.5
99.08096	19.2
100.11259	7.5
105.07011	33.1
107.08591	28.3
109.06535	13.1
109.10155	17.7
111.08084	9.4
117.07013	12.2
119.08569	22.9
121.10163	21.0
125.09646	13.3
131.08627	13.2
133.10120	21.7
135.11697	27.3
139.11159	50.1
141.66118	5.3
147.11736	10.8
149.13263	29.2
151.11197	19.3
154.20845	4.9
157.10168	6.0
159.11667	13.4
161.13281	12.3
165.12743	7.8
175.14836	8.2
177.12747	10.9
189.11197	5.9
193.12248	12.7
195.13780	50.3
199.43385	5.6
207.13577	7.7
209.74281	5.4
241.19475	7.1
242.32109	5.6
277.21603	61.5
289.11859	5.4
295.22665	37.6
302.56528	5.7
349.78833	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69058	3.2
53.03941	4.2
55.01870	6.9
55.05511	39.3
57.03432	14.2
57.07069	12.4
67.05157	6.6
67.05503	100.0
69.03443	4.0
69.07063	33.0
71.04959	9.5
71.08612	6.0
77.93426	3.5
78.81214	3.6
79.05492	42.8
81.03389	4.8
81.07056	82.0
83.04984	17.9
83.08634	20.0
87.04477	4.9
91.05480	26.8
93.07052	60.2
95.04976	9.9
95.08601	37.0
97.06525	11.4
97.10162	10.3
98.98472	81.8
99.08100	7.3
104.99286	5.1
105.07018	19.1
107.08600	32.0
109.06544	4.4
109.10146	63.4
111.08085	10.9
117.07012	5.3
119.08594	23.7
121.10151	16.0
123.11726	9.9
125.09570	4.7
130.73528	3.6
131.08551	8.5
133.10136	20.6
135.08090	5.0
135.11685	15.4
137.09540	5.0
139.11177	21.4
141.12708	3.4
143.08562	5.6
145.10115	5.2
145.40332	3.8
147.11696	9.9
149.13264	21.3
151.11214	4.7
155.10661	12.6
159.11710	6.0
161.13258	8.3
163.11133	4.3
163.14795	4.4
167.50446	3.3
173.11746	59.9
173.13098	7.3
177.12849	4.7
188.17490	4.0
189.11288	5.2
191.14326	5.7
193.12172	4.7
195.13797	27.4
211.13295	6.3
241.19565	5.2
277.21545	29.8
295.22653	16.7
330.24286	3.7
330.30075	5.8
330.33737	9.5
331.18701	15.1
331.22839	3.8
331.26114	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05516	23.8
57.03430	6.2
57.07068	17.4
60.47138	3.8
67.05503	54.1
69.07072	38.7
69.50336	16.4
70.06577	4.5
71.04993	8.3
71.08625	12.8
74.06073	5.4
79.05491	33.5
81.03439	7.1
81.07051	52.2
83.04980	15.8
83.08625	10.7
84.89761	3.5
85.10176	20.4
87.04479	4.2
88.07635	8.9
91.05473	19.9
93.07044	52.9
95.04967	6.5
95.08603	69.9
97.06514	11.7
97.10165	10.7
98.98457	100.0
99.08068	19.1
105.07012	18.4
106.08672	8.1
107.08591	23.6
109.10172	13.1
111.08079	6.3
113.09617	25.3
117.06968	3.7
119.08572	13.9
121.06513	5.1
121.10138	44.1
123.08086	4.6
123.11662	4.2
125.09615	8.5
127.11122	4.5
131.08582	10.5
133.10133	11.6
135.11687	8.9
139.11168	15.4
143.35074	4.0
145.10138	5.8
147.11687	25.6
149.09622	12.8
149.13248	5.8
151.11153	5.6
157.10083	6.1
157.12267	6.6
161.13200	8.7
163.14778	4.4
165.12759	16.6
167.10648	12.4
171.11737	5.3
173.13304	3.9
175.14743	7.7
176.98900	8.8
185.11705	6.1
193.12183	7.1
203.12801	7.4
211.13313	13.1
249.21928	4.2
259.20575	9.0
266.76382	4.5
277.21637	38.6
278.47672	3.9
295.22592	45.3
330.20227	4.5
330.29977	5.8
330.33517	38.0
331.18771	14.0
331.26315	7.6
335.29312	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
55.05513	30.9
67.05511	32.3
69.03424	3.9
69.07069	7.6
71.08633	100.0
79.05483	26.5
81.07054	31.0
82.74592	3.3
83.04968	7.1
83.08627	24.8
91.05502	21.3
93.07046	22.4
95.04987	6.5
95.08619	31.3
97.06535	7.0
97.10153	26.9
98.98463	39.0
99.08104	94.3
105.07037	19.9
107.08568	12.4
109.10146	3.7
111.08086	3.4
113.09616	4.4
119.08598	13.2
121.10170	6.5
125.09654	25.2
133.10120	12.4
133.21831	3.4
135.11679	12.3
135.29637	3.7
139.07555	4.5
145.10156	4.4
147.11774	4.7
151.11197	45.5
159.11670	3.9
161.13278	38.0
163.11179	19.1
179.14323	56.0
189.11224	41.2
234.50536	3.9
241.19485	8.1
259.20584	14.7
277.21646	92.8
278.21915	4.7
295.22690	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05504	0.4
56.05028	0.9
57.07073	6.9
58.06592	0.7
60.04520	2.1
62.06074	0.6
67.05508	0.4
67.78430	0.1
68.05015	0.2
69.07059	0.5
69.50944	0.4
70.06586	11.8
71.06909	0.1
71.08629	3.1
72.04507	0.3
72.08157	0.1
74.06074	15.7
75.06401	0.1
79.05457	0.2
81.07066	0.2
83.08614	0.3
85.10172	1.3
86.06074	0.5
88.07623	16.0
90.78780	0.1
95.08585	0.3
97.64733	0.1
98.98464	1.0
102.09171	4.2
104.39155	0.1
106.08659	8.3
109.10239	0.1
109.77584	0.1
125.09566	0.1
125.72982	0.1
126.52534	0.1
130.08646	0.2
174.99094	0.1
264.26898	0.2
268.29935	0.3
282.27850	0.4
286.31030	0.8
294.28012	0.2
300.29083	0.2
312.29187	0.3
312.32559	6.5
313.32925	0.4
330.33612	100.0
331.33957	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.05487	0.4
67.05496	1.0
69.07036	0.3
79.05487	1.0
81.07059	0.9
83.04939	0.4
91.05479	0.6
93.07031	1.1
95.04993	0.5
95.08585	0.7
97.06528	0.7
98.22702	0.7
98.98460	51.8
100.98865	1.5
105.07052	0.4
107.08604	0.9
107.96450	0.3
109.10163	0.4
116.99500	1.2
119.08572	1.0
121.10125	0.4
129.07021	0.3
131.08557	0.6
133.10129	0.5
135.08063	0.3
135.11646	0.3
140.01091	0.5
146.99548	0.4
153.01822	1.1
157.10141	0.5
163.07526	0.3
170.99542	0.3
174.99191	2.6
176.98911	5.1
178.02628	0.8
181.63647	0.3
204.13957	0.5
220.43205	0.3
241.04924	0.5
242.05721	3.7
252.99654	1.0
255.06543	0.4
258.05231	3.7
269.04437	1.1
270.05197	12.8
271.05762	0.7
273.03833	2.8
285.04028	0.7
286.04623	3.3
287.05475	6.4
298.04639	0.7
299.05563	0.9
301.03470	2.0
302.04102	2.0
313.03384	2.8
313.07111	1.8
313.17975	0.8
315.04959	51.3
316.05573	8.7
331.08093	100.0
332.08469	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
59.11797	0.2
64.29326	0.3
67.05466	0.3
69.03425	0.5
70.02940	0.8
70.06583	0.6
73.01925	0.3
76.81547	0.2
81.03400	0.4
84.04491	0.4
84.08136	1.7
85.02895	1.2
86.09692	1.8
90.84219	0.3
91.05490	0.3
97.02876	0.4
98.98459	100.0
100.98865	2.6
105.03386	0.7
107.04945	0.7
108.08125	0.5
116.98678	0.5
116.99458	2.4
118.08633	0.3
127.03939	0.4
129.10260	1.2
137.05975	0.6
145.05003	0.3
152.07068	0.8
169.04895	0.6
172.94266	0.5
174.99226	5.1
175.11800	0.3
175.99803	0.3
176.98904	11.1
185.12852	0.3
190.04933	0.7
192.98747	0.3
216.99004	0.3
245.08078	1.0
252.99628	1.5
254.99417	0.9
313.08841	0.3
314.12494	0.3
331.10022	47.2
331.13586	5.4
332.10358	2.1
332.13071	0.3
336.70901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24656	0.8
55.05502	0.9
57.05279	0.9
65.89630	0.8
70.58781	0.8
70.59144	1.2
77.13947	0.9
79.05507	2.2
81.03402	5.0
81.07061	2.9
91.05480	20.4
93.07032	1.4
94.04188	2.1
95.04957	5.9
95.08611	0.9
98.98462	100.0
100.98892	2.3
103.05462	3.4
103.09293	0.8
105.07014	4.2
107.04958	5.3
107.08550	0.8
109.06541	3.4
109.10188	1.1
111.04445	0.9
115.05437	1.0
116.99509	2.0
117.07013	1.1
119.03645	0.8
119.04939	13.2
119.08584	0.8
121.06496	3.7
122.03660	5.5
123.04440	1.1
123.11666	1.0
128.06221	3.1
129.06976	11.1
131.04927	4.7
131.08559	1.6
133.06549	2.2
133.10132	1.6
135.08044	5.0
136.05196	2.9
137.05977	55.7
138.06335	2.0
143.04988	1.7
145.06491	2.2
146.03610	1.5
147.04358	1.5
147.09186	1.7
149.05980	8.7
151.03931	2.1
151.07533	70.5
152.06177	2.2
153.06931	1.0
155.06058	1.2
157.06506	6.9
161.05981	10.3
161.09616	2.0
162.06731	1.1
163.07523	14.6
164.08278	0.9
165.07014	8.1
165.09155	4.1
166.07687	1.5
167.08536	11.9
169.06445	1.4
173.05931	0.9
174.06720	5.1
174.99222	5.2
175.07510	2.4
175.08791	1.3
176.98915	9.5
177.07004	1.4
177.09090	2.2
178.07796	3.0
179.08525	2.3
181.06497	3.5
181.10114	1.3
182.07242	2.5
183.08005	1.6
187.07558	1.2
189.09105	25.3
190.09456	1.3
191.08563	1.0
192.10330	2.2
193.06496	6.1
193.10245	9.6
194.07225	1.6
195.08041	18.2
196.08682	2.1
197.06021	3.3
202.07809	1.4
203.02286	0.9
203.08507	1.5
206.07239	1.4
207.08255	1.0
207.10139	4.1
209.05954	2.4
209.09604	2.4
210.06778	6.8
211.07463	2.7
212.08327	3.1
213.09036	1.4
219.08054	1.1
220.08646	0.9
221.06020	6.9
221.09563	8.1
222.10283	0.9
223.07544	8.0
224.08269	2.6
225.05481	1.8
225.09015	7.1
227.07068	2.5
227.10649	20.1
227.12790	1.7
228.10985	1.2
237.05486	1.2
237.09169	2.3
238.06216	4.0
238.09779	1.9
239.06938	1.6
239.10539	1.3
240.07823	3.0
241.08437	1.6
243.11311	5.2
249.09151	4.6
252.07866	1.1
252.99715	1.6
253.08560	10.4
253.12209	13.1
255.06490	1.5
255.10141	20.1
256.10577	1.9
267.09933	4.1
269.08026	3.8
269.11865	0.9
270.08902	1.2
271.10623	2.8
272.10437	2.2
281.11566	5.5
284.10498	1.0
285.11154	12.8
287.12756	38.2
288.13095	2.2
299.12671	1.2
301.14243	1.7
303.13388	2.7
313.11746	1.3
313.14450	13.8
317.15668	0.9
331.09271	1.5
331.12604	2.2
331.17630	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01868	0.7
66.55126	0.7
67.05503	0.7
70.06578	0.9
70.07779	0.6
71.04967	1.0
71.46433	0.6
72.73920	0.6
73.36043	0.7
79.05490	1.9
81.03439	0.7
81.07058	2.2
83.04994	0.8
91.05479	14.3
93.07059	1.1
94.04214	1.3
95.04974	3.7
95.08627	1.3
98.98465	100.0
100.98895	2.6
103.05464	2.8
105.07024	3.5
107.04941	3.5
107.08585	1.1
109.06516	2.8
111.04416	1.3
116.99475	1.7
117.07034	1.2
119.04942	9.3
121.06528	3.4
122.03655	3.7
124.40617	0.7
125.05984	0.7
128.06245	1.7
129.06981	5.2
131.04977	3.8
131.08559	1.2
133.06514	0.7
135.08061	3.0
136.05156	1.5
137.05972	37.2
138.06331	1.7
139.07507	0.8
145.06517	2.0
147.08051	1.3
149.05983	8.5
150.00545	0.6
150.06691	1.2
151.03981	1.4
151.07535	57.6
152.06210	1.8
152.07890	1.3
153.06876	0.7
157.06496	6.4
161.05968	6.4
161.09682	1.4
162.06543	0.8
163.03987	0.6
163.07530	11.1
165.07030	4.7
165.09093	3.1
166.07768	1.2
167.07118	1.4
167.08540	9.5
169.06425	0.8
170.53387	0.6
174.06787	2.9
174.99210	5.8
175.07542	2.6
176.98901	9.0
177.06938	0.7
177.09158	1.3
178.07806	2.9
179.08543	1.2
181.06500	1.9
181.10167	1.2
182.07240	1.8
189.09091	19.0
190.09453	1.0
193.06497	2.9
193.10207	3.6
193.12006	0.7
194.07272	1.0
195.08058	11.5
196.08806	1.8
197.06018	1.8
197.09563	1.3
199.07516	0.8
205.06468	0.8
207.08168	1.2
207.10213	3.2
209.06012	1.0
209.09633	1.9
210.06688	3.6
211.07523	1.8
212.08301	2.5
219.07893	0.6
221.05988	4.0
221.09511	4.9
222.10109	0.7
223.07547	5.2
224.08275	2.6
225.08981	4.8
227.07283	0.8
227.10675	15.4
227.12788	1.1
231.08154	0.7
237.09070	1.5
238.06203	1.6
238.09950	1.1
239.06935	0.7
240.07820	2.6
241.08575	1.2
249.09085	2.5
251.07054	0.7
252.07834	1.3
252.99727	1.4
253.08571	8.0
253.12221	7.9
254.09131	1.1
254.99451	0.9
255.06546	1.2
255.10150	17.1
256.10522	1.4
267.10205	2.6
269.08160	2.3
269.11789	1.9
270.08850	0.9
272.10553	0.9
281.11786	4.1
284.10410	1.3
285.11200	10.9
287.12747	30.0
288.13107	1.8
298.11911	0.7
299.12753	1.0
301.14297	1.3
313.14392	8.7
313.21933	0.9
331.04556	1.4
331.11923	1.4
331.15594	2.3
331.19556	2.0
331.23080	0.8
332.20450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Carnosol
Peak:m/z	Relative Intensity
56.96571	1.6
58.20463	0.6
66.93756	0.6
69.50940	1.2
69.51360	2.2
75.17285	0.7
98.98469	19.3
110.97575	0.7
120.66163	0.6
149.06039	0.6
155.71384	0.6
156.89796	0.6
174.99283	0.9
176.98926	1.5
185.04811	0.8
203.06122	0.6
211.06389	0.7
217.07587	1.0
267.09100	0.9
277.19339	0.7
307.15900	0.7
330.33749	1.1
331.18817	100.0
332.15018	0.8
332.19101	6.1
349.16870	14.7
350.17145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
69.17553	3.0
69.17966	0.9
75.52449	0.5
81.07042	0.6
91.05479	0.6
96.05971	0.5
98.98463	43.9
100.98872	1.0
112.08880	0.6
116.99522	0.8
133.31924	0.7
138.08777	0.5
145.17206	0.6
174.99214	1.8
176.98889	4.3
252.99817	0.8
290.18939	0.5
311.67477	0.5
313.17886	4.5
324.27448	0.5
331.18774	100.0
332.19006	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.87468	0.6
56.05312	0.6
69.29607	3.0
73.01386	0.7
81.32399	0.7
84.68517	0.6
87.04495	0.7
98.22715	1.3
98.98465	5.9
126.27678	0.7
176.12196	0.6
209.92839	0.6
276.69098	0.6
278.21594	0.5
331.18774	100.0
332.19086	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2246
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
54.71558	0.4
57.07058	0.9
69.09974	1.9
69.10384	1.6
72.08141	0.7
72.84907	0.5
81.07063	0.5
89.48857	0.4
97.02483	0.5
98.98476	7.9
99.76865	0.5
99.79666	0.5
176.99046	0.5
210.16617	0.4
304.93582	0.5
331.22449	100.0
332.22769	7.6
332.29260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
55.05732	1.9
56.96553	2.4
57.03434	4.3
57.07072	72.0
58.07405	1.9
67.05506	15.3
69.07059	10.5
70.06584	10.1
70.71049	1.6
71.06908	1.9
71.08629	50.9
72.08953	2.0
74.06071	1.6
75.04478	3.4
81.07056	23.1
83.08614	15.9
85.10178	26.2
88.07625	11.7
89.07955	2.0
91.05458	3.7
95.08597	37.1
96.08946	1.7
97.10160	8.1
98.98460	33.2
102.09157	2.1
103.42342	1.7
105.57890	1.3
106.08659	7.8
106.21433	1.1
107.09013	1.4
109.10156	16.2
111.11746	2.8
123.11724	6.2
125.13302	2.7
137.13226	3.5
151.14812	1.7
162.48441	1.3
174.99214	1.9
176.98926	2.3
185.82950	1.4
214.53712	1.3
221.22639	2.1
239.23677	12.6
257.24774	3.5
285.23746	1.1
311.64087	1.3
313.27356	42.6
313.32990	5.6
314.27545	2.1
331.15454	6.6
331.19299	6.1
331.33972	100.0
332.34204	5.8
349.16821	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05513	14.5
57.03446	6.5
57.07077	100.0
58.07402	1.7
67.05505	24.1
69.07066	18.5
69.22820	7.5
70.06580	4.2
71.06931	1.4
71.08631	68.5
75.04451	2.8
79.05466	2.6
81.07058	31.8
82.16459	1.2
83.08621	23.8
83.37269	1.3
85.06538	2.2
85.09695	2.3
85.10187	37.7
88.07655	6.2
89.06023	3.3
95.08609	52.2
95.09220	2.7
97.10170	12.3
98.23444	2.5
98.98473	38.6
99.11739	2.5
104.99255	1.9
105.07018	1.8
106.08664	4.6
107.08585	1.3
109.10152	23.7
111.11685	5.7
113.13288	1.5
119.08598	1.7
121.56271	1.1
123.11703	12.9
125.13264	3.5
137.13266	5.6
141.06308	1.1
151.14819	2.0
160.98299	1.2
165.16397	1.9
174.99199	1.7
176.98903	3.5
221.22617	3.2
239.15897	1.3
239.23695	26.1
240.23845	1.6
257.24725	7.2
261.94019	1.2
291.21686	1.2
293.24228	1.3
293.86484	1.2
308.09406	1.4
313.27362	66.6
313.33047	3.1
314.27747	3.5
331.26492	3.1
331.33994	52.8
332.34076	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.40665	1.9
55.01869	4.2
57.03426	6.4
61.02922	13.2
69.03435	20.8
69.07063	3.8
69.90583	4.6
71.04990	2.3
72.08155	7.5
73.02919	5.0
81.03416	7.9
84.04489	4.4
85.02904	100.0
86.09702	37.4
87.04497	1.8
91.03947	6.4
97.02891	29.9
98.97552	4.2
98.98466	65.0
99.04473	4.6
102.05525	5.6
105.73126	1.6
107.04955	32.3
108.08118	2.6
109.02862	7.8
116.98666	2.1
116.99464	2.0
121.96812	2.0
127.03928	25.4
132.10197	4.2
134.36353	1.9
135.04382	3.7
137.05963	13.0
145.04951	44.8
152.07072	4.5
153.05469	17.3
155.08153	3.0
162.07556	2.3
163.06003	7.6
164.06375	1.8
168.22763	1.7
170.08136	10.4
173.05934	2.3
173.09190	6.2
174.02284	2.1
175.03470	2.5
176.11055	2.2
176.93973	2.0
176.98921	5.3
178.07614	1.9
178.12247	3.4
180.08661	19.3
185.16447	2.3
199.18007	4.0
201.08755	4.5
213.15981	2.6
219.06491	6.3
227.17618	2.0
239.81110	1.9
261.05508	2.3
290.94650	3.3
332.13400	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.87723	0.8
53.03935	0.9
54.15815	0.9
55.01883	1.0
55.42011	0.8
55.68682	0.8
56.96559	2.9
57.03431	1.7
61.02929	2.3
65.03928	1.0
65.13805	0.8
67.05505	2.5
67.21786	0.7
69.03428	5.1
69.61298	4.0
70.06603	1.4
71.30923	0.7
71.50835	0.8
72.08165	5.6
73.02918	1.9
79.05481	1.5
81.03424	2.3
81.05792	0.8
81.07065	0.9
83.53342	0.9
84.08143	13.9
85.02905	12.8
85.08476	1.3
86.06046	0.9
86.09715	6.9
87.04454	1.4
87.10056	0.8
93.05839	0.9
97.02892	5.1
98.23474	1.3
98.97575	6.7
98.98469	22.2
101.00896	1.3
102.05504	1.0
104.10732	4.8
105.03387	1.2
106.06563	3.7
107.04960	2.3
108.08115	92.3
109.02886	1.8
109.08482	1.4
110.05978	0.9
116.98643	3.7
119.01939	2.1
123.06827	3.7
124.07585	16.0
127.03930	1.8
129.10229	8.7
130.10588	1.9
134.06018	23.6
134.99632	1.0
136.07576	12.7
137.06015	0.9
140.49704	0.8
145.04961	2.6
152.07063	100.0
153.05437	0.8
153.07391	2.0
153.95428	0.7
154.08696	1.2
156.96628	1.0
158.99850	1.2
159.03406	0.9
160.06485	0.8
161.03030	1.2
170.08121	37.9
171.14896	1.0
174.97690	2.6
176.98991	2.7
177.00974	3.4
177.99286	1.1
178.00941	1.3
179.00687	0.9
183.11278	0.8
199.14381	1.2
200.13995	1.5
200.99268	1.1
201.00940	2.1
203.02460	5.0
204.02678	1.4
216.98720	1.3
218.98788	3.9
219.02002	24.9
220.02013	4.1
221.01801	2.0
221.05121	1.2
236.99428	5.6
237.12234	0.8
258.99832	1.1
261.03024	1.2
277.00974	1.5
284.08350	1.7
290.03940	1.0
290.98807	0.9
296.08121	1.2
314.09262	10.2
314.12372	31.6
315.09424	0.9
315.12811	1.5
331.23483	2.0
332.06952	4.7
332.10233	14.1
332.13428	64.3
333.10333	4.5
333.14261	1.4
350.08148	3.4
351.11703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81852	0.7
53.85460	0.6
55.05518	0.7
56.05031	1.3
56.96559	1.1
57.07077	5.3
58.06594	0.9
59.07371	1.2
68.27573	0.7
69.07069	0.7
70.06595	0.9
70.93452	1.0
72.08160	12.2
74.10043	0.7
84.04501	2.9
84.08141	1.9
85.02889	1.2
85.06544	2.1
86.09711	18.7
88.55507	0.7
90.34637	0.6
97.07690	0.9
98.97665	1.9
98.98473	43.0
99.04456	0.8
100.98901	2.0
102.05553	3.1
104.44223	0.7
105.03406	0.8
107.04966	2.0
111.04436	0.8
114.10300	12.8
115.08698	4.1
116.98611	2.3
116.99449	1.0
118.08662	32.2
119.09003	1.0
127.08639	1.4
132.10202	2.1
135.04425	2.5
137.06015	1.3
138.30409	0.8
142.08569	0.8
143.86072	0.7
153.05466	1.7
155.08211	0.9
155.15469	6.7
156.13860	24.5
159.14496	0.7
169.04927	1.4
170.05299	0.9
173.09198	3.7
173.16475	1.4
174.99150	0.9
175.03421	0.8
176.98941	3.9
187.10780	5.9
198.16035	16.7
199.18050	1.9
201.08722	3.0
203.13945	1.6
207.45131	0.8
215.10379	2.2
215.18687	100.0
216.19026	3.3
227.17567	0.9
231.38812	0.6
237.25826	0.7
332.13422	1.0
332.26675	1.0
333.14905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1156
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
70.72560	0.7
84.08118	0.4
85.02904	1.3
85.69244	0.3
86.09698	1.3
89.16286	0.3
97.02894	0.4
97.27328	0.4
98.97509	0.4
98.98464	7.4
100.98857	0.5
106.51596	0.4
137.05975	0.7
137.21855	0.4
153.05305	0.5
159.09224	0.4
171.06261	4.0
176.98915	1.0
185.04210	0.5
203.05292	2.2
206.68701	0.4
261.08603	0.4
269.34189	0.4
271.11490	0.7
273.09338	0.7
287.11020	15.3
288.11389	0.5
333.11545	100.0
334.11746	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81854	0.6
60.04505	1.5
76.61076	0.6
86.09694	2.2
98.97785	0.7
98.98456	7.3
137.05981	0.9
155.01895	0.6
171.06287	100.0
172.06596	1.6
174.70581	0.6
176.98952	1.1
185.04216	12.2
202.08170	0.8
203.03894	0.9
208.53290	0.7
208.84140	0.7
221.05087	1.3
261.08249	1.4
270.14539	0.6
287.10883	0.7
289.07681	1.2
315.10413	0.8
333.11572	41.9
334.11884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27251	0.3
54.17134	0.3
69.66032	1.2
70.06586	0.4
81.78639	0.3
98.98465	3.4
134.29628	0.3
136.04785	0.4
137.34036	0.3
158.09587	0.3
171.09940	2.7
172.07576	0.4
176.98930	0.5
248.06564	0.4
259.65863	0.4
333.15170	100.0
334.15536	5.1
334.44000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05037	0.9
56.96568	39.0
57.07082	1.3
58.06597	0.8
60.04535	0.4
62.00815	0.5
65.39088	0.4
67.05530	1.3
69.07089	0.8
69.10359	3.1
71.08649	1.1
71.95267	3.6
72.04530	0.5
72.96062	0.8
73.36864	0.5
74.06087	1.2
74.97626	0.9
79.05499	0.7
81.07068	1.8
84.96051	1.5
88.07622	4.4
91.05493	1.0
93.07067	1.5
95.04983	0.6
95.08604	0.9
97.06551	0.7
97.96805	8.3
97.99196	0.5
98.23524	0.9
98.97609	1.4
98.98489	2.2
105.00160	2.1
105.07036	0.6
107.08624	0.9
109.06519	0.9
109.10178	0.6
110.96796	1.1
110.97568	18.7
111.04469	0.7
115.97839	4.2
116.98650	1.1
118.08630	0.6
119.01736	0.9
119.08628	0.6
123.01223	1.3
124.99093	0.5
128.98610	21.1
129.99405	0.9
131.00078	1.0
131.08644	0.7
133.10144	0.6
133.98892	1.5
135.11713	0.5
136.06250	0.4
137.02783	1.9
140.98503	0.6
141.02271	0.5
143.00156	2.6
146.99657	10.1
147.11743	0.7
148.00468	0.5
149.13298	0.6
151.04408	0.5
152.00217	0.8
153.02274	0.6
155.00041	0.6
155.03775	1.0
155.55238	0.5
157.01743	0.6
158.02498	0.6
161.01239	3.2
163.04378	1.0
165.00772	1.1
165.05905	0.5
165.12767	3.4
167.00038	0.6
167.03856	0.8
169.01717	0.9
169.05415	1.2
170.01311	1.4
171.03285	2.1
174.99033	0.5
175.02818	1.8
175.11292	0.5
176.03610	1.1
179.00095	0.6
179.02271	0.7
181.05399	0.5
183.03308	0.7
185.04886	1.9
189.00591	0.6
189.02388	0.5
189.04352	1.9
190.05093	2.6
193.03819	0.5
194.04781	0.5
195.06967	0.9
198.04420	0.5
199.06439	0.6
203.02165	0.5
203.05908	1.2
203.07523	0.8
204.06767	1.0
206.57877	0.5
208.06190	1.2
209.08603	0.7
221.08609	0.6
223.02922	0.5
225.07938	1.0
227.09590	1.8
233.08595	0.6
235.10187	0.6
236.20148	0.8
241.11139	1.8
243.09033	0.6
244.10036	1.0
245.08311	0.6
245.10591	1.1
247.10109	0.6
252.10339	1.3
259.12241	1.6
263.09515	4.9
264.10321	1.3
265.11172	1.4
270.11630	0.5
277.11108	1.4
281.10608	1.0
282.11438	0.6
283.12039	1.1
284.29437	2.7
285.11621	1.1
285.29825	1.1
289.21439	0.9
303.12677	3.2
313.14780	1.0
315.16287	71.3
316.16571	4.8
331.15771	3.1
332.31552	6.7
333.17303	100.0
333.20251	5.2
333.31885	4.3
334.17624	6.3
334.27396	3.2
351.18417	17.3
352.18823	0.7
356.18979	17.4
357.19183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.70727	0.9
53.03940	1.4
55.01874	1.2
55.05507	4.2
57.03424	1.0
59.04992	1.5
62.35509	1.1
64.34960	1.0
67.05505	3.5
69.03437	1.2
69.07065	3.2
71.04987	16.1
73.06550	3.9
77.03912	1.2
79.05494	7.2
79.53970	0.9
81.03431	0.9
81.07053	24.5
83.04985	1.3
85.02892	2.3
86.03967	1.0
87.17735	1.0
91.05486	4.1
93.07041	20.0
94.04182	1.0
95.04979	3.0
95.08604	5.2
96.46481	1.0
97.06545	2.3
98.98463	14.4
105.07027	4.7
107.08594	14.8
108.08154	1.0
109.02840	1.0
109.06517	1.1
109.10153	3.8
111.08090	1.7
113.02644	0.8
117.07029	1.1
119.04934	1.6
119.08592	2.7
121.10133	1.7
123.04398	1.0
126.67136	0.9
131.04919	1.1
131.08562	1.9
133.10152	1.7
135.08037	1.2
135.11687	24.1
137.05975	21.4
137.09607	1.1
138.06291	1.4
142.93910	0.9
143.08562	1.1
145.10104	1.0
147.04611	0.9
147.11665	1.0
149.05913	1.1
149.09584	1.2
151.04030	1.0
151.07533	1.7
153.12737	100.0
154.13081	2.7
157.10072	1.5
161.05963	1.1
167.07036	20.9
171.11601	0.9
176.98949	1.7
288.09940	3.6
289.14282	7.3
297.17947	1.0
303.12262	1.1
315.19208	1.1
333.17203	1.2
333.20660	2.5
334.20178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.3
57.03465	5.1
61.02932	3.3
67.05515	13.8
69.03426	7.6
69.07066	8.3
69.93604	9.3
70.06586	5.3
71.05009	5.8
74.80473	3.4
77.03979	3.3
79.05499	19.2
81.03416	6.3
81.07059	22.9
81.76918	3.2
83.04990	5.6
85.02911	20.2
86.06058	15.5
87.04478	15.2
91.05479	25.5
93.07045	86.7
93.07600	5.5
94.07365	3.7
94.56503	3.4
95.04985	11.8
95.08601	26.8
96.08121	3.6
97.02911	7.3
98.06036	20.7
98.98479	44.0
105.07027	18.3
106.51905	3.2
107.08601	100.0
108.08945	6.0
109.06541	8.2
109.10175	8.5
119.08594	15.2
121.06525	3.9
121.10149	4.9
124.07594	8.3
127.03967	4.0
130.41029	3.3
131.08589	5.6
133.10149	16.9
134.10486	3.3
135.11708	71.5
136.12099	4.2
137.06032	6.2
142.89043	3.4
147.11731	7.3
151.11218	13.5
153.12776	8.6
157.10110	3.2
158.06023	4.1
167.07050	5.5
168.13815	5.2
171.11665	4.3
176.99013	4.4
186.14961	3.5
195.12083	6.0
211.13145	3.0
236.16478	20.6
248.21391	3.1
272.18588	89.6
272.21445	6.0
273.18781	6.0
315.13297	7.4
315.19608	6.1
316.21280	27.3
333.05988	8.5
333.20859	17.7
333.24521	3.6
334.22195	18.8
334.32758	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41954	0.5
67.05521	0.7
68.67590	0.5
70.97108	0.6
72.04507	1.7
81.07044	0.7
93.07050	1.4
98.98431	0.8
109.06455	0.7
119.08609	0.9
165.12738	1.9
182.15248	0.5
236.19930	0.8
289.21548	0.7
289.50110	0.5
297.89151	0.6
333.20367	100.0
333.23862	4.1
334.20737	7.3
334.27280	0.9
351.18515	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73525	0.9
94.60952	0.5
112.38324	0.5
121.29490	0.5
158.17125	0.5
215.89751	0.5
219.41081	0.5
263.12708	0.9
333.20334	100.0
334.20648	6.3
354.43399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.9
60.04514	1.7
67.05489	1.3
70.42857	1.9
79.05486	1.5
79.06837	0.9
81.07053	2.2
93.07033	1.8
98.98466	10.8
105.07014	1.4
107.08575	1.7
119.08529	1.8
133.10147	1.5
147.11734	1.0
176.99010	1.8
187.05664	1.1
189.06989	3.9
190.07767	1.1
202.07800	1.1
217.06410	2.2
218.07159	1.9
245.06033	6.4
246.06776	27.6
247.07455	6.5
249.05495	2.0
262.06110	5.1
273.05374	8.8
274.06067	5.4
275.06952	2.9
277.08578	3.8
289.08618	2.3
290.05780	6.3
290.08737	1.5
291.06265	1.9
297.18124	4.4
301.04953	9.8
303.06525	1.8
305.08069	21.9
306.08466	2.8
315.19312	61.1
316.19724	4.5
316.28549	1.5
318.05222	1.5
333.07465	26.8
333.20328	100.0
334.07938	5.2
334.20624	5.7
334.29590	5.4
350.93170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40962	0.4
69.71036	0.5
69.71409	1.5
88.07623	0.8
91.79012	0.4
91.86015	0.4
98.23473	0.7
119.20428	0.4
242.24834	0.8
263.12350	0.5
307.67099	0.4
333.20349	100.0
334.20688	7.3
334.29468	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	PGB3
Peak:m/z	Relative Intensity
50.67094	0.6
61.68667	0.5
63.11313	0.5
67.23009	0.6
69.96880	1.4
98.23401	0.7
100.43214	0.6
133.96518	0.6
219.09955	0.5
247.13109	2.2
315.19324	7.6
316.62888	0.6
333.20334	100.0
334.20657	5.8
334.24350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63700	0.4
58.38975	0.4
60.08176	0.4
66.86396	0.4
70.97012	0.5
88.07676	0.4
136.48680	0.4
144.77638	0.4
232.73405	0.4
235.13040	1.2
261.14670	1.0
333.20343	100.0
334.20627	6.4
334.29437	0.8
351.19858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.07072	100.0
58.07403	2.0
59.82828	0.8
60.80362	0.8
63.02855	0.7
66.55428	0.9
69.07072	3.7
69.88158	2.4
71.08627	84.7
72.08958	1.9
81.07043	1.1
83.08598	1.0
85.10177	49.0
86.10545	0.8
89.06026	55.9
91.05476	1.4
95.08605	1.0
97.10198	0.8
98.22792	1.0
98.98477	2.7
99.11726	4.9
107.07054	3.8
107.08591	1.0
109.10181	0.9
109.37013	0.8
112.99997	1.1
113.13279	3.3
117.44356	0.9
119.72456	0.9
127.14839	1.1
130.08612	1.4
133.08588	10.6
151.09650	39.2
169.02574	0.9
171.91539	0.8
301.17969	1.4
333.24219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27691	0.3
60.13557	0.3
61.02924	0.6
69.03419	1.0
70.06567	0.3
71.23009	0.4
73.02926	0.5
81.03416	0.3
85.02907	4.0
86.09715	0.5
91.02522	0.3
91.05460	0.5
94.04173	1.5
97.02884	1.2
122.03650	5.2
124.47726	0.3
127.03895	0.8
130.71426	0.3
137.05971	100.0
138.06297	3.2
145.04950	1.3
162.41206	0.3
180.08615	0.4
182.40221	0.3
288.11514	0.5
334.11743	1.9
334.15253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16313	0.6
61.59587	0.6
63.62505	0.7
69.46476	2.8
87.87486	0.6
88.07619	0.7
89.03925	0.5
93.98209	0.5
236.13422	0.8
240.21976	0.6
260.14044	0.7
334.20703	100.0
334.29303	2.3
335.21817	18.4
343.49387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.2
58.06602	1.9
65.66748	0.5
69.70975	1.9
69.96219	0.5
74.06042	0.6
86.06062	0.9
88.07639	6.0
95.08629	1.1
98.23383	1.0
105.06982	0.9
106.37755	0.5
118.78681	0.5
132.10214	1.6
217.42361	0.5
242.24779	5.5
248.13437	1.3
286.27402	1.8
303.06561	0.7
316.19617	7.5
323.09833	0.6
334.20679	100.0
334.29391	22.6
335.08862	1.5
335.21091	5.5
335.29608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72786	0.4
55.05488	1.1
56.05006	1.7
67.05505	5.7
69.03425	2.3
69.07063	0.9
69.79755	0.8
69.80138	0.9
70.06588	5.2
71.04953	0.8
79.05466	1.6
81.03407	0.5
81.07054	10.2
83.04968	0.6
83.08595	1.0
84.04473	0.6
84.88136	0.4
86.06066	16.4
86.09705	0.4
87.04465	14.3
91.05488	4.2
93.07004	1.3
95.05003	0.4
95.08559	1.1
96.08099	1.6
97.06495	0.6
98.06051	30.0
98.98409	0.5
99.06351	0.7
104.07063	0.7
105.07027	2.3
107.08570	1.7
109.10122	1.4
112.07615	2.3
117.13490	0.4
119.04865	0.4
119.08538	0.7
121.06480	0.4
123.11684	1.9
124.07591	11.2
127.03907	0.5
131.08542	0.5
133.10129	6.6
138.09091	0.4
146.94998	0.4
147.11601	0.5
151.11177	13.1
158.89372	0.4
166.16403	0.4
168.13835	8.3
169.14217	0.4
169.43272	0.5
175.08577	0.5
186.14902	2.7
194.62515	0.4
208.16870	0.6
218.15401	0.8
221.09048	1.2
228.66110	0.4
236.16447	18.2
237.16812	1.4
250.13084	0.4
254.17467	0.7
272.18555	100.0
273.18927	5.2
298.19809	0.4
316.21170	27.7
317.21512	1.7
334.16275	0.8
334.22217	17.3
335.22516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2374
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
52.05624	0.2
57.03448	0.1
69.45622	0.8
70.45201	0.1
81.07039	0.2
91.05498	0.2
98.22701	0.2
107.08607	0.1
117.05690	0.3
118.06534	5.0
130.06525	0.5
131.07281	0.8
132.08089	2.8
133.08870	0.7
134.09644	0.4
144.08098	0.7
145.08879	0.3
146.09642	2.2
148.11136	0.2
151.09933	0.2
158.09698	0.3
160.11205	0.9
162.09131	5.9
162.12744	0.3
163.09590	0.2
172.11122	0.2
174.12773	0.5
176.09158	0.3
176.10699	6.1
177.11496	1.2
186.12715	0.2
188.14359	0.3
190.12248	3.2
191.12959	0.3
202.15904	0.2
204.13828	0.9
232.16983	0.2
244.20651	1.2
246.18608	0.2
272.20062	9.7
273.20325	0.7
290.21173	2.8
291.21387	0.3
306.08765	0.2
316.22571	0.4
334.23724	100.0
335.24054	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79762	0.2
70.74415	0.3
77.55573	0.2
78.09093	0.2
81.07052	0.2
83.90526	0.2
89.21397	0.2
91.05459	0.2
95.08620	0.2
103.38883	0.2
105.07002	0.2
106.06572	1.0
107.07371	0.2
117.05756	0.6
118.06533	4.7
120.08125	0.2
122.27097	0.2
130.06525	0.6
131.07298	1.3
132.08086	2.2
133.08852	0.4
134.09622	0.4
144.08096	0.5
145.08849	0.3
146.09642	2.9
151.09935	0.4
156.09404	0.2
160.11197	1.8
162.09140	7.5
162.12775	0.3
163.09642	0.3
172.11177	0.5
174.09094	0.2
174.12695	0.4
176.10709	4.9
177.11464	0.9
188.14401	0.4
190.12250	8.0
191.12534	0.2
204.13831	1.6
218.15407	0.5
232.16942	0.2
244.20563	1.8
246.18484	0.4
272.20071	10.9
273.20383	0.6
290.21112	1.8
316.22806	0.6
331.81186	0.2
334.23737	100.0
335.24100	7.1
335.27057	0.1
339.02664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.18034	2.2
55.06450	2.3
57.18359	2.2
63.06777	2.4
64.24678	2.6
69.34863	6.0
69.35249	5.3
72.08146	2.7
76.14722	2.3
86.09709	8.5
94.37457	2.4
98.97561	3.9
109.98839	2.7
111.62106	2.4
116.98561	3.1
134.29478	2.6
151.19380	2.3
173.06604	2.7
185.06679	3.0
215.09427	3.0
219.01962	4.9
222.01877	2.9
275.09769	4.2
293.04251	3.0
293.10611	3.1
335.07382	100.0
335.13837	4.0
336.07571	4.5
351.03668	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	19.9
57.03435	1.8
59.58923	2.0
66.88415	1.4
69.03413	1.9
70.06584	2.8
71.45965	1.7
81.03408	2.0
84.96036	10.2
94.11593	1.8
97.02846	1.8
97.06506	1.9
97.96774	2.3
98.97580	100.0
110.97575	21.4
116.98620	48.9
123.05534	3.3
124.99013	2.6
127.03911	2.2
128.98601	21.3
134.99626	11.4
136.07559	3.6
137.05943	10.5
138.06317	13.2
140.98549	6.7
143.00146	8.7
146.06032	1.7
146.99658	9.6
152.98581	10.1
158.99648	23.3
161.01204	5.5
162.05505	1.9
170.99663	12.8
172.07568	2.3
172.09770	3.9
173.01288	2.0
177.00719	22.4
184.07538	1.8
189.00703	5.8
191.05923	2.6
198.09172	3.8
200.07033	2.2
201.00726	2.6
215.08304	2.4
215.11775	4.6
219.01772	25.0
226.08801	2.3
229.09732	8.0
233.12683	1.9
237.02806	37.2
243.11295	9.5
245.09244	8.2
253.09933	2.6
255.03880	2.7
257.09250	2.5
261.12341	1.8
262.81931	1.7
271.10739	28.2
275.07962	12.8
281.09344	3.5
287.10266	8.2
288.91980	2.2
289.11887	4.9
293.09039	84.0
294.09351	3.8
299.10254	7.4
305.11224	4.0
308.87979	1.9
311.10123	11.6
316.10645	1.9
317.11420	9.5
326.43427	1.8
335.10016	94.9
336.10260	5.0
352.47650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13013	0.4
55.96297	0.4
69.57396	1.8
71.18681	0.4
81.07053	0.5
143.12621	0.4
158.77245	0.5
202.27916	0.5
317.20819	2.1
335.21869	100.0
336.09769	0.8
336.22198	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69379	0.4
69.64397	1.4
82.59477	0.4
98.23251	1.0
110.17504	0.3
119.94079	0.4
137.34929	0.4
178.68524	0.4
260.57828	0.4
291.34531	0.4
317.24661	0.9
321.78207	0.4
335.21915	100.0
336.22275	6.0
346.44965	0.4
357.76282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
57.03440	0.7
57.82191	0.3
59.86621	0.3
67.05523	1.8
69.74358	0.7
69.74757	0.5
72.00408	0.4
76.79131	0.3
79.05512	0.9
80.73888	0.3
81.07068	1.3
91.05489	0.3
93.07040	1.3
95.08602	1.6
98.22866	0.6
98.23403	0.4
104.72012	0.3
107.08582	0.8
109.10143	0.7
121.10188	0.5
143.86961	0.3
157.52736	0.3
221.11456	0.4
233.11723	0.4
235.13077	0.7
251.12405	0.3
315.91907	0.3
335.21948	100.0
336.09808	0.5
336.22305	6.6
336.26285	0.4
355.33029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37117	0.4
63.39003	0.5
70.23119	0.8
79.76837	0.4
88.07664	0.6
91.40801	0.5
96.64008	0.4
103.81543	0.5
106.10976	0.4
186.43228	0.4
243.25204	0.5
264.56418	0.5
335.21899	100.0
335.30035	2.0
336.22238	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05508	12.2
57.03436	12.2
65.03938	1.7
67.05501	42.6
68.23485	0.9
69.06767	0.9
69.07072	11.1
75.81662	0.7
79.05486	23.5
81.07052	37.2
82.07380	1.2
83.04983	1.1
83.08617	4.4
91.05476	13.3
93.07037	25.0
95.04958	2.4
95.08601	33.6
95.09212	1.9
96.08922	0.9
97.06499	1.4
97.10155	2.1
98.98462	2.0
99.08089	0.9
105.04520	0.9
105.07021	8.1
107.08583	13.8
109.06503	1.0
109.10146	12.9
111.08125	1.0
117.07004	2.6
119.08560	6.8
121.10130	11.9
123.08052	1.4
123.11702	3.3
131.07703	1.0
131.08495	4.2
133.10109	4.7
135.11687	7.7
137.13206	1.0
145.10120	4.4
147.11693	4.5
149.13231	3.3
159.11655	1.9
161.13239	2.2
163.14760	1.8
173.13261	1.4
175.14853	0.9
187.14827	1.8
189.07005	1.0
201.16229	1.2
204.05692	2.6
206.07387	1.1
219.08026	14.4
232.05211	3.7
234.06749	3.8
243.21132	2.7
245.06195	0.9
246.06764	12.6
246.63855	0.9
247.07507	16.6
248.08000	0.8
261.22070	3.5
262.06232	27.5
263.06589	2.0
274.06177	4.8
275.07053	2.2
276.07867	2.3
277.08569	55.2
278.08875	4.5
290.05679	9.4
291.06332	1.1
292.07159	1.1
303.06577	5.7
304.07297	6.8
305.08044	47.4
306.08420	4.8
319.06061	2.2
320.06570	9.1
335.09103	72.0
335.21893	100.0
335.25806	64.1
336.09357	7.8
336.22241	6.2
336.26151	3.8
357.89258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05497	1.6
57.03426	0.6
67.05509	4.5
69.07066	1.6
69.55862	2.4
79.05485	3.3
81.07065	4.6
83.08578	0.6
87.23142	0.5
91.05468	2.2
93.07037	3.2
95.08596	3.0
98.98455	0.6
100.50613	0.5
105.07030	1.3
107.08585	1.2
109.10153	1.2
119.08559	0.8
121.10165	1.2
131.08665	0.7
133.10097	0.7
135.11690	0.6
145.10112	0.6
147.11588	0.6
335.21909	100.0
336.22293	6.3
336.26016	0.9
353.17163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05506	0.3
60.11879	0.2
67.05499	0.8
69.96500	0.8
79.05483	0.7
81.07051	0.9
83.08641	0.3
91.05476	0.7
93.07037	0.7
93.74419	0.2
95.08604	0.8
105.07028	0.2
107.08585	0.5
119.08541	0.3
121.10153	0.5
131.08537	0.2
135.11642	0.2
145.39133	0.2
221.11485	6.7
222.11874	0.3
303.06586	0.3
303.22827	0.3
317.20923	0.4
335.21912	100.0
336.09927	0.3
336.22223	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01874	1.0
55.05517	16.5
57.03442	20.3
57.07075	1.8
62.86897	0.6
65.03941	2.1
67.05510	71.2
67.26656	0.6
68.05836	1.1
69.03438	0.7
69.06703	1.3
69.07073	18.4
69.07447	1.4
69.44548	3.4
71.04989	2.7
71.08604	0.8
77.03918	1.0
79.05499	40.5
80.05823	0.9
81.03413	1.4
81.07062	66.3
82.07375	0.8
83.04984	2.6
83.08624	8.4
85.06556	1.3
89.06048	0.8
91.05487	21.2
93.07053	43.5
94.07344	0.8
95.04976	6.1
95.08613	50.6
96.08916	1.0
97.06574	3.3
97.10207	2.2
98.22858	2.7
98.23471	1.4
98.98475	7.5
99.08079	1.0
105.04539	1.2
105.07033	18.4
107.08601	24.7
109.02924	1.0
109.06539	1.8
109.10168	20.4
111.08119	1.7
117.07037	5.5
119.08593	17.6
121.10155	19.7
123.08100	2.3
123.11722	7.8
125.09653	1.1
129.05472	1.0
129.07060	1.8
131.08582	11.8
133.10146	12.9
135.08078	1.5
135.11697	13.4
137.09682	1.6
137.13284	2.2
142.07825	1.1
143.08560	2.6
145.10115	9.5
147.11691	7.3
149.09648	0.8
149.13258	6.3
151.14839	0.8
155.08554	1.1
156.09473	1.3
157.10138	3.2
158.10791	1.1
159.11703	6.2
161.09702	0.9
161.13240	5.2
163.13640	0.7
163.14745	3.6
163.56895	0.8
169.10126	0.9
171.11765	1.6
173.02191	1.2
173.13269	6.4
175.14845	3.2
179.14441	0.7
183.11714	0.8
185.13260	0.8
187.14804	3.7
193.10172	0.8
197.13405	1.5
199.14821	2.0
201.16425	1.3
209.13248	1.2
211.14688	0.8
223.14743	0.8
243.21002	3.3
261.03687	0.9
261.22125	6.6
267.06485	1.0
279.06500	3.3
279.23141	1.5
302.26761	0.7
317.24869	4.6
335.13095	2.7
335.21918	100.0
335.25833	95.3
336.22678	5.4
336.26178	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01862	1.1
55.05512	22.0
56.96557	2.2
57.03180	1.3
57.03442	21.4
57.07065	4.8
65.03944	2.5
67.05505	79.8
68.05835	1.1
69.03389	1.1
69.07069	20.7
69.90738	3.2
71.04992	6.4
77.03928	2.5
79.05494	48.4
80.05806	0.9
81.03429	1.2
81.07059	73.1
82.07405	1.1
83.04996	1.2
83.08628	9.3
85.06543	2.1
91.05476	31.1
93.07047	54.3
95.04980	10.2
95.08609	58.8
97.06521	4.0
97.10170	3.8
98.98470	9.6
99.08093	1.4
105.04530	2.7
105.06343	2.0
105.07032	31.5
107.08586	30.0
107.23286	1.0
109.02866	1.4
109.06517	4.0
109.10153	28.1
110.97609	1.0
111.08108	1.9
115.05459	1.8
117.07015	8.3
119.08575	28.2
121.06519	1.2
121.10148	21.1
122.10416	1.2
123.08054	3.9
123.11700	8.2
123.15287	1.0
125.09634	1.4
128.06223	2.8
129.06998	4.9
130.07796	2.0
131.08574	28.1
133.10132	32.2
134.10497	1.7
135.08078	4.7
135.11691	15.9
137.09610	2.7
137.13245	2.6
137.66174	1.1
138.68980	0.9
141.07053	1.3
142.07767	4.0
143.08572	10.0
144.09340	1.5
145.10129	19.7
147.08025	1.1
147.11708	8.9
149.09616	1.9
149.13255	7.1
151.14767	1.0
155.08528	4.4
156.09340	4.5
157.10127	10.7
158.10881	3.9
159.11711	8.3
161.09622	2.5
161.13258	5.0
163.11179	1.5
163.14803	2.3
165.07033	1.3
165.12796	1.1
167.08577	1.7
169.10110	3.9
170.10957	1.3
171.11702	9.1
173.02136	1.3
173.09680	1.0
173.11844	1.4
173.13260	19.0
175.14812	4.4
179.08498	1.6
180.09344	1.7
181.10098	2.7
182.10889	1.3
183.11705	1.9
184.12479	1.3
185.13251	3.6
187.11113	1.5
187.14793	5.3
191.76527	0.9
193.10080	1.5
194.10992	1.1
195.11688	5.3
197.13264	4.8
199.14821	9.1
201.16400	2.3
207.11684	2.4
208.12491	1.7
209.13248	3.8
211.14851	3.3
212.15570	1.9
213.16386	1.4
220.12587	1.3
221.13237	2.2
223.14832	2.8
232.12524	1.1
235.14783	2.6
237.16397	2.1
243.21130	3.8
246.14227	1.3
248.76671	1.2
249.16403	1.5
251.18034	2.2
261.03598	1.2
261.22079	6.8
265.19531	1.6
277.19427	3.5
317.17780	1.5
317.24850	3.3
335.19061	2.6
335.21899	49.7
335.25769	100.0
336.09894	1.4
336.22168	3.5
336.26083	7.4
353.20160	1.3
358.20419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	1.6
55.01862	1.2
55.05508	20.3
55.05782	1.0
57.03435	21.7
57.07066	2.7
63.16724	0.4
65.03934	2.1
67.05501	74.8
68.05840	1.5
69.07063	17.8
71.05000	1.5
71.54776	0.5
72.90814	0.5
73.06606	0.5
77.03923	1.0
79.05488	39.9
80.05829	0.6
81.07053	68.0
82.07391	1.3
83.04983	2.9
83.08612	7.1
85.06561	1.4
89.87936	0.5
91.05475	21.3
93.07040	45.4
94.07366	1.3
95.04975	3.8
95.08601	57.6
96.08949	1.2
97.06536	2.6
97.10155	2.7
99.08095	1.0
105.04517	1.7
105.07024	14.1
107.08588	23.3
107.98312	0.5
108.08896	0.6
109.06525	2.1
109.10147	21.8
110.10480	0.7
111.08064	1.3
111.11723	0.8
113.60782	0.5
117.06994	4.5
119.08573	10.3
121.10140	19.2
122.10471	0.6
123.08083	1.2
123.11703	7.8
123.57156	0.5
125.09663	0.8
129.05496	1.0
129.07097	0.6
131.08562	7.2
133.10124	8.9
135.11688	13.9
137.09612	1.3
137.13235	2.8
139.11150	0.6
143.08583	0.5
145.10114	4.8
147.11671	6.5
149.09711	0.9
149.13239	7.0
151.11234	0.7
151.14807	0.5
159.11685	4.7
161.13260	4.8
163.11148	0.6
163.14796	3.5
165.12767	0.8
173.13246	3.9
175.14830	1.9
177.16428	1.6
179.14316	0.7
187.14799	2.8
189.16252	0.8
201.16373	0.8
209.64441	0.5
216.83549	0.4
219.17456	0.7
219.21010	0.4
243.21082	4.7
245.28442	0.5
261.22134	7.7
279.23248	0.7
291.23206	0.8
295.15082	0.5
299.23645	0.5
317.24719	4.3
335.25778	100.0
336.26096	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
51.72617	0.5
54.05164	0.6
55.01877	2.7
55.05510	6.1
56.96566	0.7
57.03434	1.1
57.07067	1.9
62.77309	0.6
63.82117	0.5
65.03935	0.8
67.05502	9.6
69.07069	12.0
69.61691	1.5
69.62077	1.0
71.04978	1.1
71.08619	1.7
72.08598	0.6
72.98940	0.6
73.06551	0.7
79.05488	5.5
81.07055	14.8
83.04990	1.1
83.08629	3.4
85.10177	0.6
89.06076	0.5
91.05485	4.8
93.07041	8.6
94.15483	0.5
95.04971	6.5
95.08607	9.8
97.06530	4.3
99.08104	0.7
105.07020	5.3
107.08589	6.0
109.06519	50.5
109.10152	3.9
110.06867	1.8
111.08082	1.3
117.07041	1.2
119.08574	5.9
121.06523	2.4
121.10141	3.6
123.08044	3.4
123.11696	1.6
131.08536	1.9
133.10110	2.8
135.08080	1.5
135.11673	2.3
137.09616	1.5
137.13220	1.0
145.10117	2.5
147.11717	1.8
147.48325	0.5
149.09674	1.5
149.13313	1.5
151.09685	0.7
159.11710	1.3
161.13208	1.1
163.11205	1.1
165.12769	4.1
177.12750	0.8
203.14302	0.8
215.17946	0.6
219.17444	1.1
243.21094	0.7
261.18515	1.3
279.19568	11.5
280.19836	0.9
289.25381	1.3
299.23749	0.7
317.24753	8.0
335.25797	100.0
336.26169	8.0
353.19910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.01866	0.6
55.05261	0.5
55.05508	6.8
57.03441	0.9
57.07081	5.3
59.05005	1.0
65.03933	0.5
67.05498	8.0
69.03430	1.2
69.07063	5.7
69.83513	1.8
70.06573	0.6
71.04977	1.0
71.08619	4.3
73.06518	0.7
79.05479	4.1
81.07053	10.9
83.04965	1.0
83.08601	3.1
85.06540	2.4
85.10181	1.3
89.06028	6.5
91.05459	2.8
93.07040	7.9
95.04943	1.5
95.08601	14.6
96.08896	0.7
97.06533	1.3
97.10156	1.6
98.22715	0.6
99.08080	1.6
105.07042	3.4
107.08585	5.4
109.06516	14.7
109.10148	5.1
111.08069	2.2
117.07043	0.7
119.08569	4.4
121.06493	1.1
121.10119	3.8
122.07266	1.2
123.08063	43.7
123.11723	1.5
124.08361	1.0
126.99868	0.5
130.08662	0.8
131.08546	1.2
133.08588	1.9
133.10098	2.9
135.08037	4.8
135.11690	1.4
137.09598	5.0
137.13280	1.3
139.11185	1.4
145.10129	1.1
145.13483	0.5
147.03995	0.5
147.11696	1.7
149.09604	1.5
149.13255	0.9
151.09656	5.4
151.11160	2.5
151.14812	0.7
159.11681	1.2
161.13289	1.6
163.11267	0.6
165.12761	2.1
167.14313	1.3
175.14742	0.8
177.12671	0.9
179.14296	57.2
180.14610	3.2
187.14803	1.0
193.15886	1.5
201.16396	0.8
205.15904	0.8
219.17484	0.7
247.17015	0.7
261.22208	1.2
279.19559	4.5
289.21634	0.9
303.23203	6.6
319.28461	1.9
335.25781	100.0
336.26129	8.4
341.89243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.90336	0.4
53.03940	1.7
55.01865	1.3
55.05508	16.0
57.03434	15.3
57.07082	2.6
57.07318	0.5
57.57058	0.4
59.05001	0.5
65.03941	2.1
67.05501	65.0
67.19267	0.4
68.05836	1.2
69.03435	0.5
69.07063	15.2
69.96323	1.2
71.04984	1.2
71.08630	0.9
77.03926	1.4
79.05488	37.4
79.95483	0.4
80.05817	1.1
81.07051	64.2
82.07401	1.4
83.04983	1.2
83.08613	6.9
85.06538	1.7
88.45417	0.4
91.05474	21.9
92.05805	0.5
93.07039	45.8
94.07361	0.9
95.04958	5.1
95.08600	49.6
96.08928	1.4
97.06525	3.1
97.10171	3.2
99.08096	1.2
105.04511	1.5
105.07023	17.0
106.07335	0.5
107.08585	27.2
108.08940	0.6
109.06507	2.5
109.10146	20.5
110.10488	0.6
111.08071	1.6
112.99957	0.8
113.09672	0.5
115.29454	0.4
117.07012	4.4
118.06538	0.5
118.07378	0.8
119.08571	13.9
120.08868	0.5
121.10135	20.4
122.10505	0.7
123.08092	1.9
123.11691	8.1
125.09664	0.7
127.07510	0.4
129.05473	1.1
129.07021	0.5
131.08559	8.1
133.10117	10.9
135.08096	0.7
135.11688	13.9
137.09622	1.3
137.13266	1.9
139.11238	0.4
143.08495	0.4
145.10107	7.2
145.42261	0.4
147.11671	7.4
147.12724	0.7
149.09612	0.9
149.13258	6.8
149.14432	0.5
151.11223	1.1
151.14809	0.7
153.12689	0.6
155.08556	0.4
157.10138	0.6
159.11699	4.8
161.13222	6.1
161.14308	0.5
163.14760	3.6
164.15364	0.5
165.12772	0.8
169.02641	0.6
173.13237	4.3
175.14795	2.6
177.12761	0.5
177.16393	1.0
179.14442	0.5
185.13242	0.8
187.14819	2.7
189.16389	1.2
190.03474	0.4
198.03674	0.4
201.16405	1.1
223.16914	0.4
224.00957	0.4
224.03685	0.4
233.22658	0.5
235.16823	0.5
243.21074	5.2
247.16852	0.5
261.18286	0.4
261.18973	0.4
261.22116	7.9
275.23779	0.4
277.21652	1.1
279.23309	1.0
291.22879	0.6
299.23734	0.9
305.24716	0.5
317.24741	8.3
318.25223	0.4
335.25772	100.0
336.26083	7.9
341.78931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.1
65.96884	0.1
69.23075	0.4
70.03611	0.1
74.04074	0.1
81.07025	0.1
83.72739	0.1
84.18619	0.1
86.15284	0.1
154.14110	0.1
163.05334	0.1
176.06216	0.1
177.06883	0.1
178.07730	0.2
179.08517	0.7
181.06523	0.1
189.06972	2.2
190.07579	0.3
191.08566	0.4
193.06476	0.1
205.06442	1.1
206.07123	0.4
207.08025	2.6
208.08308	0.1
217.06470	2.2
218.07213	0.6
219.08012	1.3
220.05238	0.1
221.05965	0.3
222.06731	0.2
223.07498	0.1
232.05177	0.1
233.05939	1.0
234.06712	3.1
235.07509	14.2
236.07916	0.9
237.09146	0.1
245.05923	2.0
246.06567	0.4
247.07509	3.7
248.04781	0.2
248.08138	0.5
249.05444	0.2
249.09142	0.6
250.06213	0.5
251.06927	0.3
260.08325	0.2
261.05423	0.8
262.06223	3.7
263.07001	12.8
264.07510	1.3
265.05777	0.1
265.08536	0.6
273.05490	0.3
274.06097	0.2
275.04584	0.1
275.06992	5.9
276.07651	1.0
277.08545	1.7
278.05783	1.9
278.09357	9.1
279.06268	0.3
279.09760	0.7
280.07257	0.1
289.04953	0.2
290.05707	1.1
291.06470	4.3
292.07230	5.6
293.08035	6.7
294.08386	0.5
303.06454	1.4
304.07217	0.7
305.08054	11.9
306.05252	0.6
306.08749	6.2
307.05844	0.3
307.09497	1.0
308.10309	0.4
319.09589	1.0
320.06757	2.7
321.07526	6.6
322.07788	0.5
335.09082	0.7
335.21811	0.3
336.09857	100.0
337.10217	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
57.03426	1.5
60.20898	0.4
67.05497	0.6
69.03427	1.5
69.07069	1.2
70.06603	0.7
71.04977	0.5
72.08126	0.6
77.03929	0.5
79.05498	1.1
81.03437	0.5
84.08153	0.8
84.48805	0.4
85.02920	3.3
85.06533	0.5
86.09715	3.5
91.05470	3.5
93.07053	5.9
95.04989	0.7
95.08591	0.7
97.02862	0.8
97.06519	1.4
98.97590	0.6
99.04436	0.5
99.08085	0.6
103.03947	1.9
105.07064	0.8
106.06551	5.8
107.08578	0.7
109.90385	0.5
110.07156	0.5
111.08062	0.5
112.80024	0.4
115.07515	0.8
117.07009	1.2
118.06516	0.7
120.08115	5.4
121.06500	1.9
123.08112	0.6
130.06538	2.6
134.06001	0.8
136.07632	0.5
139.07541	5.3
139.70824	0.5
140.49921	0.5
143.07335	1.2
144.08098	19.3
145.08490	1.0
154.06540	2.1
155.06027	1.1
157.08597	3.1
159.10193	0.9
162.09143	6.6
172.07582	100.0
173.07991	3.4
174.09138	2.5
177.05527	0.5
181.78247	0.5
190.08664	7.8
230.10104	0.9
233.16449	1.7
234.11406	0.5
246.09485	0.7
263.79697	0.5
272.11133	1.9
282.09723	0.7
287.79861	0.5
288.10416	1.0
288.92383	0.6
290.10196	0.8
298.85742	0.5
300.10468	0.8
318.18616	0.6
336.10391	1.2
336.14429	11.2
336.18192	0.7
337.14465	0.7
337.17987	0.7
359.09494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10224	0.6
55.01870	4.2
57.03427	3.8
59.04991	0.8
66.36391	0.5
67.05499	0.7
68.99456	0.7
69.03419	2.5
69.07053	2.8
70.06583	1.6
72.08150	4.4
79.05450	0.8
81.07061	0.8
83.04995	1.0
84.08141	1.4
85.02913	5.2
86.09670	0.8
89.54237	0.5
91.05475	3.9
93.07032	1.6
95.04954	0.7
95.08592	0.7
96.04503	0.7
97.02890	2.1
103.03951	4.8
105.07059	0.6
106.06556	12.7
107.04955	0.6
111.08112	1.2
116.19198	0.6
117.07001	1.3
118.06570	0.9
120.08105	5.5
121.06507	0.8
122.05981	0.7
129.09076	0.9
130.06540	2.3
131.07272	0.7
136.07568	2.5
136.56183	0.6
137.02342	0.6
139.07550	2.9
143.07310	2.0
144.08083	21.0
145.06519	0.7
145.08466	1.0
154.06523	1.8
157.08545	3.1
158.09714	1.1
160.07558	0.8
162.05519	3.8
162.09129	16.3
163.09399	0.7
164.07114	1.2
170.09511	0.6
172.07568	100.0
173.07932	4.6
174.09114	4.9
174.11345	0.8
175.09547	0.7
186.09045	2.0
189.07677	0.7
190.08617	19.8
190.10342	1.1
200.07108	0.7
202.08662	0.8
213.07950	0.7
213.16695	0.7
214.08560	4.4
216.10201	1.0
219.14949	1.7
228.10165	1.1
232.09697	0.7
234.12413	0.7
242.08116	2.4
243.88399	0.6
244.09662	0.8
246.07623	1.7
247.14417	0.9
253.53343	0.7
259.08469	1.8
260.09189	4.1
272.11121	2.4
276.30151	0.6
288.92239	0.8
290.10202	21.4
291.10641	0.9
300.08139	0.6
318.09741	2.8
330.93423	0.7
336.10565	12.6
336.14417	24.3
336.22629	0.8
337.08853	1.6
337.14716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	1.5
57.03423	1.1
59.83443	0.7
61.02918	1.0
64.60908	0.7
67.05497	1.6
69.03422	1.8
69.07067	6.2
69.50301	1.4
69.50682	1.4
73.06573	0.7
77.03915	1.4
79.05499	11.5
81.07035	1.2
83.05000	0.8
85.02902	5.3
86.09717	1.5
91.05479	15.9
93.07042	100.0
94.07370	2.3
95.04971	6.8
95.08602	5.2
97.02892	2.9
97.05898	1.6
97.06527	30.9
98.06902	0.8
102.64576	0.7
105.04521	2.0
106.06557	1.8
107.04985	0.7
109.06555	0.8
109.07607	0.9
111.08067	3.0
117.07005	0.7
119.30811	0.8
120.08113	3.3
121.06508	15.9
127.03907	0.9
129.09100	2.3
130.06488	1.3
139.07535	46.9
140.07870	1.4
144.08076	6.0
145.05037	1.0
154.65594	0.8
157.08597	12.2
162.05298	0.7
162.07947	0.8
162.09175	3.1
164.06929	0.8
166.53206	0.8
172.07568	37.7
173.08025	1.3
174.11224	0.8
177.05499	1.2
180.08597	0.9
185.47772	0.7
188.07086	0.8
190.08649	3.2
204.13857	1.1
214.08607	0.8
216.12071	0.8
233.16599	1.2
234.11270	0.9
290.10300	2.9
318.18130	1.3
321.09702	0.8
336.11139	1.1
336.14594	2.6
336.18469	0.9
337.17764	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	1.5
57.03423	1.1
59.83443	0.7
61.02918	1.0
64.60908	0.7
67.05497	1.6
69.03422	1.8
69.07067	6.2
69.50301	1.4
69.50682	1.4
73.06573	0.7
77.03915	1.4
79.05499	11.5
81.07035	1.2
83.05000	0.8
85.02902	5.3
86.09717	1.5
91.05479	15.9
93.07042	100.0
94.07370	2.3
95.04971	6.8
95.08602	5.2
97.02892	2.9
97.05898	1.6
97.06527	30.9
98.06902	0.8
102.64576	0.7
105.04521	2.0
106.06557	1.8
107.04985	0.7
109.06555	0.8
109.07607	0.9
111.08067	3.0
117.07005	0.7
119.30811	0.8
120.08113	3.3
121.06508	15.9
127.03907	0.9
129.09100	2.3
130.06488	1.3
139.07535	46.9
140.07870	1.4
144.08076	6.0
145.05037	1.0
154.65594	0.8
157.08597	12.2
162.05298	0.7
162.07947	0.8
162.09175	3.1
164.06929	0.8
166.53206	0.8
172.07568	37.7
173.08025	1.3
174.11224	0.8
177.05499	1.2
180.08597	0.9
185.47772	0.7
188.07086	0.8
190.08649	3.2
204.13857	1.1
214.08607	0.8
216.12071	0.8
233.16599	1.2
234.11270	0.9
290.10300	2.9
318.18130	1.3
321.09702	0.8
336.11139	1.1
336.14594	2.6
336.18469	0.9
337.17764	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2528
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
55.01867	2.5
55.05503	4.4
56.05042	1.2
57.03431	1.3
58.06602	1.8
60.10732	0.7
62.06084	91.6
66.79207	0.8
67.05497	9.1
69.07069	6.7
69.61771	3.1
71.04974	1.9
79.05476	7.8
81.07046	16.1
83.04982	2.3
83.08620	3.1
85.06541	0.8
88.07647	2.4
89.07951	1.5
90.08036	0.9
91.05470	7.8
93.07034	13.3
95.04990	2.2
95.08601	9.5
97.06534	2.2
98.06069	3.3
98.22773	1.4
100.51775	0.7
102.63990	0.7
105.07024	10.6
107.04967	1.8
107.08601	8.1
109.06518	4.9
109.10158	3.9
117.07019	3.7
119.08550	7.3
121.06519	4.6
121.10144	3.5
123.08070	2.5
129.06989	1.5
131.08543	8.9
133.06429	0.9
133.10078	5.2
135.08063	2.7
135.11652	2.3
137.09590	1.4
141.06970	1.1
143.08531	1.9
145.10114	6.3
147.08057	1.2
147.11642	3.9
149.09616	3.3
149.13316	1.7
152.10652	1.5
154.12233	1.0
155.08401	0.9
157.10155	1.6
159.08099	1.0
159.11691	4.7
161.09618	1.1
163.11229	2.4
169.10138	1.2
171.11670	1.3
173.13303	3.6
175.11160	0.9
177.12686	1.6
183.11696	1.7
187.14807	1.2
189.12808	1.0
191.14418	1.2
197.13200	1.0
215.18013	1.0
218.15433	2.3
242.24878	0.9
243.25006	1.2
244.25499	2.3
246.11086	0.8
247.20578	2.0
249.31541	0.9
250.18167	1.3
256.20657	0.9
257.18973	2.8
262.18100	1.6
274.21695	1.2
275.20065	18.5
276.20319	1.1
288.28162	2.0
288.92245	0.9
291.10150	0.9
293.21100	2.6
300.23288	1.6
301.21735	1.1
318.24249	100.0
319.22482	3.3
319.24698	5.3
336.09464	1.7
336.25366	66.1
336.30035	11.6
337.10825	1.0
337.14453	3.1
337.25781	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27071	0.3
56.96561	0.5
63.60417	0.3
70.06574	0.4
71.43742	0.4
75.90694	0.3
77.46828	0.3
79.17242	0.3
82.99846	0.3
84.08092	0.4
86.09708	1.2
98.97581	1.3
101.00884	0.4
110.08406	0.6
111.09166	0.4
116.98617	0.8
119.01944	1.1
133.03445	1.0
140.98816	2.2
143.50684	0.4
158.99875	4.4
159.99953	0.3
160.07579	1.7
175.04660	0.5
177.00967	25.5
178.01074	2.2
182.99794	2.8
185.01443	1.7
200.02649	0.5
201.00952	10.9
202.01190	0.8
203.02531	23.9
204.02602	2.5
205.00523	0.4
214.09303	0.5
218.03627	1.6
219.02026	100.0
220.02130	10.3
221.02263	0.4
242.03598	1.0
242.07307	1.0
242.09747	0.4
247.01558	2.9
261.03110	0.6
266.07312	1.0
268.08838	3.2
277.01749	0.4
284.08313	9.6
285.08472	1.5
286.09174	0.4
287.08282	1.1
290.09500	0.4
295.08835	0.7
296.08197	3.5
297.08572	0.5
305.08722	0.8
314.09360	43.0
314.59412	1.3
315.09485	5.4
320.11325	0.8
332.10431	68.2
333.10550	8.8
337.10864	0.4
338.06891	1.2
350.11462	4.0
351.11407	0.6
355.11975	0.9
355.18420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.79142	1.3
54.82463	1.5
55.01871	11.6
55.05511	6.8
57.03436	2.1
63.63117	1.5
67.05506	7.3
69.03429	6.4
69.07075	8.7
69.70839	3.1
71.04980	3.8
72.08128	2.6
77.03929	2.2
79.05498	23.2
81.03397	2.4
81.07065	8.1
83.04970	4.8
91.05470	18.5
93.07047	29.7
95.04969	16.1
95.08613	6.2
97.06535	14.1
98.23379	2.6
99.04459	4.2
103.05473	5.8
103.19031	1.2
105.04518	2.8
105.07030	71.3
106.07371	1.9
107.04964	15.2
107.08584	3.3
109.06538	3.3
109.10133	2.3
113.06058	1.7
114.10290	1.3
115.05414	6.4
116.98573	1.3
117.07014	17.5
119.04933	3.0
119.08562	7.6
121.02887	2.5
121.06506	72.4
122.06837	3.9
125.05980	3.9
128.06195	4.4
129.06996	10.8
130.07803	8.6
131.04892	3.3
131.08566	17.9
133.06488	27.8
133.10127	5.5
134.36888	1.3
135.04437	4.2
135.08070	2.3
139.07532	3.1
141.06985	8.2
142.07774	2.1
143.08554	8.0
144.05692	3.6
144.09384	7.0
145.06482	19.9
145.10123	66.6
147.08058	3.5
153.06979	4.5
154.07790	10.7
155.08563	12.0
157.06535	4.5
157.10095	3.1
158.06020	2.4
158.07277	34.5
159.04372	1.9
159.08057	17.7
159.11690	27.3
159.22725	1.3
161.09596	3.2
167.08650	2.6
169.10127	14.2
171.08101	3.3
171.11633	2.3
172.08826	10.5
173.09616	100.0
174.09973	4.9
178.07870	2.1
179.08495	7.5
181.06479	2.6
182.07326	6.5
187.11183	55.8
188.11504	2.9
191.10770	1.9
195.11760	1.7
197.09610	24.4
198.09918	2.5
205.12204	12.0
206.12596	4.6
207.13011	1.7
215.10661	60.7
216.11055	2.3
233.11725	17.1
234.12077	2.4
278.20853	1.8
322.08011	2.7
336.24960	3.4
337.06900	4.0
337.10428	2.6
337.19962	9.2
337.25357	5.0
337.31924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1748
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
55.01872	0.5
55.05511	5.6
57.03233	0.3
57.03440	4.0
57.07063	2.7
58.66834	0.4
58.77423	0.4
60.54092	0.3
67.05502	13.4
69.07066	7.1
69.18060	2.4
71.08606	0.5
79.05483	4.0
81.07053	12.3
83.04955	0.6
83.08618	4.5
86.89732	0.3
91.05473	2.9
93.07037	3.2
95.04964	0.5
95.08599	9.3
95.09204	0.5
97.06511	0.7
97.10176	1.9
97.10710	0.4
98.97561	0.6
99.08070	0.4
105.07024	1.7
107.08593	2.5
109.06519	0.5
109.10152	4.1
111.08029	0.6
117.06985	0.4
119.08565	1.9
121.10165	1.1
123.11719	1.2
133.10109	1.7
134.59654	0.4
135.11671	1.1
147.11690	1.2
149.13217	0.9
159.71815	0.4
161.13268	0.5
175.14645	0.4
263.23523	0.4
291.19458	0.8
309.77322	0.4
314.16333	0.4
319.22684	0.5
332.30731	0.4
337.17474	100.0
337.27228	19.8
338.17856	6.1
338.27609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.175
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
51.29897	0.3
60.02208	0.3
66.25217	0.3
70.71445	0.5
81.07031	0.4
93.07067	0.4
135.04364	0.3
151.07594	0.3
159.28711	0.3
165.09164	0.5
171.96373	0.3
173.05551	0.6
187.07164	0.4
251.97984	0.3
254.13089	0.4
291.06592	0.3
337.17490	100.0
338.14084	0.4
338.17883	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01876	1.0
55.05518	5.2
57.03442	2.4
57.07091	0.8
61.42967	0.3
65.03946	0.4
67.05157	0.6
67.05511	10.4
68.05845	0.6
69.07076	5.8
69.78744	0.5
79.05504	5.1
80.05830	0.4
81.07064	12.9
82.07401	1.0
83.04980	1.1
83.08621	3.8
85.06536	0.6
85.24216	0.3
85.58109	0.3
91.05490	3.2
93.07055	5.2
94.07367	0.6
95.04971	0.8
95.08614	9.9
96.08929	0.4
97.06532	1.4
97.10178	1.3
98.23078	1.1
98.97590	0.3
105.07050	2.4
107.08609	2.4
109.10164	2.6
111.08072	0.9
117.06993	0.8
119.08584	3.0
121.06482	0.4
121.10177	2.1
122.10462	0.3
123.08066	0.6
123.11745	1.0
131.08582	0.9
133.10133	1.7
135.08066	0.5
135.11726	1.2
137.13249	0.8
143.08548	0.7
145.10138	0.7
147.08069	0.5
147.11737	0.7
149.13252	0.3
151.11244	0.5
159.11711	0.7
161.09583	0.5
161.13277	3.5
179.14310	2.1
189.16411	0.3
263.23514	0.4
273.22083	1.2
291.23306	0.6
301.21695	1.7
319.22693	2.2
328.43616	0.3
337.17514	100.0
337.27103	11.3
338.17810	5.9
338.27609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
62.33755	0.7
66.24715	0.8
68.06201	0.9
81.07050	1.0
190.07323	1.3
208.08365	2.3
217.06506	1.0
218.06796	1.4
220.08490	0.9
235.07326	3.4
236.07860	8.2
247.07924	0.8
248.08138	2.7
263.06766	4.2
264.07416	6.8
276.07483	3.3
278.09256	2.1
279.09833	5.7
291.06439	1.5
292.06866	3.0
293.07724	4.0
294.08371	3.6
304.07169	2.7
306.08435	7.2
307.09097	3.9
319.09601	1.6
321.07156	1.7
322.07971	5.0
337.10272	75.0
337.23480	100.0
338.10449	5.3
338.23694	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06068	0.7
66.70406	0.3
67.05522	0.6
69.35249	0.4
69.36480	2.1
76.89659	0.3
79.05543	0.5
81.07059	0.7
82.49874	0.4
93.07056	0.4
94.40599	0.4
106.20173	0.4
109.10159	0.6
121.10141	0.4
137.09537	0.5
300.43805	0.4
319.22421	1.8
320.25897	0.6
337.23431	100.0
338.23752	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73087	7.1
55.05502	11.1
57.07073	10.8
60.83176	6.5
67.05495	35.7
69.07059	33.4
71.05001	21.7
72.56937	5.9
79.05488	30.2
81.07048	67.7
82.17931	5.9
83.08641	15.8
89.06036	7.9
91.05474	34.8
92.69514	6.0
93.07037	51.9
95.04978	30.2
95.08609	98.5
97.06538	8.4
103.25191	6.3
105.07018	72.5
107.08585	56.7
109.06519	13.9
109.10150	29.8
117.07043	15.3
118.81506	5.8
119.08580	79.6
121.10132	100.0
121.10951	7.2
123.08067	9.5
123.11714	63.0
128.06186	8.5
129.02017	6.1
129.07022	17.5
131.08568	45.3
133.10117	34.2
135.08060	32.4
135.11717	13.6
142.07776	13.5
143.08560	30.1
145.10147	63.7
147.08057	7.9
147.11737	26.8
149.13336	8.2
155.08525	17.5
156.09363	11.6
157.10152	52.5
159.11736	27.5
161.09633	30.2
169.10149	29.2
170.10954	9.7
171.11732	24.8
171.20595	7.4
173.13293	24.4
175.14908	13.1
177.16441	9.6
182.10927	19.7
183.11751	22.6
183.40904	5.7
187.14940	6.6
191.06464	6.3
195.11676	17.6
197.13222	34.1
198.14029	6.3
199.14833	14.4
201.12709	8.7
201.16438	12.2
209.13237	14.3
211.14897	16.7
215.14351	17.7
223.14877	18.4
225.16412	8.7
237.16327	7.8
239.18124	7.9
241.15883	6.6
253.19426	10.2
279.21078	24.3
281.18823	11.2
327.19266	6.5
328.65097	6.8
337.24719	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03949	1.5
55.01864	1.6
55.05510	29.0
57.03437	14.3
57.03732	0.5
57.07078	4.9
59.05001	0.5
65.03944	2.3
66.04755	0.4
67.05501	69.0
68.05829	1.2
69.03392	0.4
69.07064	32.6
69.31094	0.9
69.31503	1.1
70.07390	0.7
71.04998	2.1
71.08627	2.1
71.69917	0.3
73.06562	0.6
77.03926	0.7
78.52090	0.3
79.05490	18.8
80.05828	0.5
81.07052	69.6
82.07381	1.4
83.04977	1.9
83.08117	0.8
83.08614	16.8
85.06533	2.4
85.10162	1.0
91.05477	11.5
92.05793	0.5
93.07040	19.8
94.07363	0.4
95.04939	1.8
95.08601	53.9
96.08955	1.0
97.06517	3.6
97.10155	7.4
98.10499	0.4
98.22668	0.8
99.08087	1.2
105.04523	0.5
105.07024	8.0
105.54169	0.3
107.07832	0.4
107.08589	11.0
109.06520	1.2
109.10150	19.9
110.10493	0.5
111.08070	2.3
111.11713	1.5
113.09639	0.6
115.07492	0.3
117.07052	0.6
119.08579	6.9
121.10137	9.2
123.08102	1.2
123.11706	8.2
125.09630	1.3
129.05486	0.4
131.08545	1.0
133.10107	6.6
135.08029	0.4
135.11691	5.6
137.09598	1.1
137.13268	3.2
139.11165	0.9
139.52754	0.3
145.10117	0.7
147.11690	4.0
149.13249	3.4
151.11151	0.5
151.14804	1.5
153.12599	0.6
159.11658	0.6
161.13258	3.5
163.14816	2.7
165.12744	0.4
165.16382	0.6
173.13254	0.7
175.14801	2.8
177.16353	0.7
179.14359	0.5
187.14932	0.3
189.16376	0.7
204.98589	0.4
210.64612	0.3
219.21143	0.4
221.19287	0.4
235.46973	0.4
245.22607	1.9
261.22113	0.4
263.19925	0.4
263.20990	0.4
263.23703	3.1
301.25244	0.4
319.26358	2.1
337.27335	100.0
338.27670	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01871	0.9
55.05508	25.6
56.05839	0.4
56.39156	0.3
57.03435	16.0
57.07071	4.1
60.29113	0.4
65.03931	1.7
67.05501	59.5
68.05811	0.8
69.03431	0.5
69.07064	30.7
69.27122	1.5
71.04995	1.1
71.08643	2.2
74.44727	0.3
77.03936	0.4
79.05094	0.2
79.05486	15.6
81.07052	60.6
82.07372	1.7
83.04974	1.8
83.08614	15.9
84.08968	0.4
85.06535	2.0
88.06323	0.3
91.04935	0.7
91.05476	9.3
93.07040	16.9
95.04961	1.4
95.08599	45.7
96.08913	1.0
97.06532	3.8
97.10163	8.1
99.08088	1.3
105.04591	0.3
105.07014	6.9
107.08582	9.2
109.06531	0.7
109.10148	17.7
110.10512	0.4
111.08069	1.8
111.11726	1.7
113.09618	0.5
117.07004	0.4
119.08580	6.0
121.10133	8.0
123.08075	1.0
123.11694	6.3
125.09612	1.0
131.08575	0.4
133.10123	5.4
135.11688	4.1
137.09605	0.9
137.13237	2.9
139.11227	0.7
145.10080	0.5
147.11670	4.3
149.13225	2.2
151.11197	0.6
151.14812	1.3
151.89427	0.4
153.12758	0.7
159.11687	0.5
161.13231	3.1
163.14813	2.2
165.12805	0.5
165.16400	0.4
171.18159	0.3
175.14816	2.2
177.16374	1.4
179.14336	0.5
179.18021	0.3
181.15942	0.6
189.16428	1.2
193.15900	0.4
203.17892	0.5
207.17581	0.4
221.18848	0.5
236.46614	0.3
245.22603	2.1
245.52892	0.3
263.23672	4.5
319.26346	1.1
337.27335	100.0
338.27667	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03941	1.4
55.01869	1.2
55.05509	28.3
57.03436	17.3
57.07067	5.8
58.03740	0.4
60.66840	0.3
65.03938	2.3
67.05502	64.6
68.05834	1.2
69.03431	0.4
69.07065	36.0
69.27212	0.7
69.27615	1.3
70.07019	0.3
70.07410	0.6
71.04990	2.1
71.08635	1.9
77.03919	0.4
79.05489	16.8
80.05798	0.3
81.03439	0.4
81.07051	63.8
82.07388	1.3
83.04976	1.8
83.08614	17.7
85.06539	1.4
85.10175	0.9
91.05470	9.1
93.06451	0.8
93.07042	16.2
94.07333	0.5
95.04960	1.6
95.08600	51.3
96.08917	1.1
96.16281	0.3
97.06532	3.8
97.10163	8.9
99.08079	1.4
105.07024	6.9
107.08589	9.8
109.06509	0.9
109.10145	19.1
111.08037	2.1
111.11706	1.8
113.09650	0.6
116.76163	0.4
117.06998	0.5
118.31544	0.4
119.08589	5.9
121.10139	8.8
123.08053	0.9
123.11703	8.0
125.09647	1.0
125.13228	0.4
127.11211	0.4
129.09169	0.4
131.08505	0.8
133.10118	5.3
135.09569	0.3
135.11690	5.0
137.09621	1.3
137.13226	3.5
139.11166	0.8
145.10052	0.5
147.11653	4.2
148.71924	0.3
149.13260	2.6
151.14827	1.2
151.73383	0.4
153.12712	0.7
161.13258	3.2
163.14818	2.3
165.12758	0.6
165.16367	0.6
167.14378	0.5
175.14821	2.7
177.16386	1.0
179.14250	0.6
179.17943	0.6
180.60095	0.3
186.73035	0.3
189.16399	1.3
193.15837	0.4
193.22876	0.3
203.18007	0.3
207.17332	0.4
245.22647	2.6
263.23666	3.6
319.26367	1.0
337.27335	100.0
338.27686	7.7
338.34021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
55.05510	2.9
57.03432	1.3
61.02919	1.3
67.05499	7.6
69.03433	2.4
69.07066	1.4
69.17200	0.7
69.86188	2.2
70.06572	0.9
71.04995	1.1
72.08131	1.0
79.05475	2.9
81.03404	1.7
81.07056	21.8
81.78673	0.8
84.08148	0.9
85.02907	16.2
91.05495	2.3
93.07058	3.7
95.08606	46.2
96.08945	1.4
97.02882	3.0
97.06537	5.0
98.22825	1.3
98.97597	3.5
99.04450	3.9
99.08095	5.5
105.07030	2.3
107.08603	1.2
109.02874	0.8
110.07168	3.0
111.05592	1.5
113.09639	4.8
116.98639	2.0
117.03393	0.9
119.04954	3.8
120.08144	1.0
123.08068	44.3
124.08418	1.6
127.03957	1.2
129.09114	0.8
131.08574	1.0
133.10150	1.3
137.09621	0.7
138.05438	0.7
141.09102	100.0
142.09454	2.9
147.04402	15.3
159.10158	22.3
177.05418	3.2
211.89186	0.7
256.96536	0.9
274.97516	3.2
292.98569	2.0
338.15921	0.9
338.20267	1.8
339.19141	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
55.79972	0.4
56.96547	0.5
59.35608	0.4
62.06090	4.3
65.03918	0.6
67.04230	1.2
67.05491	0.9
69.07060	3.4
69.89877	0.9
69.90228	1.2
70.06578	0.8
71.07272	0.5
71.08620	1.3
76.07651	0.5
79.05461	0.7
80.05013	0.9
81.04527	2.2
81.07054	0.9
82.06577	10.3
86.09193	0.8
86.09700	12.7
91.05437	0.5
93.07042	0.9
95.08611	1.0
98.22738	0.7
98.97587	2.7
99.08067	0.8
105.07013	0.6
108.08149	0.7
109.07640	29.0
116.98592	1.5
123.09193	4.4
134.09616	0.6
134.99675	0.7
135.09178	1.3
136.09947	5.4
145.10124	0.6
149.07140	0.6
151.12299	54.8
152.12627	1.1
161.10736	0.6
164.09479	7.3
179.11781	100.0
180.12160	3.7
180.97934	0.7
186.37630	0.5
196.13417	0.7
197.12854	1.6
206.12924	1.7
207.11299	10.0
214.14369	1.1
222.18576	0.7
224.13872	6.6
225.12329	49.3
226.12666	1.4
240.19565	1.0
240.22246	0.5
247.18187	1.1
256.96515	0.8
274.97531	4.5
292.20175	77.1
292.98489	2.4
293.20529	3.5
295.10193	0.6
297.98959	0.5
320.19629	2.2
320.25754	4.2
323.09067	1.4
337.10324	0.8
338.11365	7.3
338.20673	15.6
338.27023	1.3
338.96713	0.7
339.11487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2691
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.03941	1.0
55.01861	1.6
55.05514	4.6
55.14971	1.0
57.03443	1.2
62.06092	100.0
65.00464	0.8
67.05512	13.3
68.53501	0.7
69.07071	5.8
69.46237	3.2
69.66528	0.9
71.04996	1.8
71.08636	24.9
73.26739	0.8
77.69180	0.8
79.05493	10.8
80.68121	0.9
81.07058	15.3
83.04988	3.2
83.08617	3.1
85.06539	1.3
91.05490	9.7
93.07044	13.2
95.04964	2.8
95.08613	10.0
97.06531	3.2
97.10162	1.7
98.06047	2.9
98.97591	4.9
99.08099	14.4
105.07048	5.1
107.04940	1.2
107.08589	7.1
109.06515	1.8
109.10165	4.6
111.08147	0.9
116.98625	2.4
117.07004	1.3
119.07880	0.9
119.08567	5.5
121.10146	5.3
125.09543	0.9
127.11104	1.0
131.08527	1.3
133.10147	3.8
135.04445	1.4
135.08081	1.5
135.11705	4.3
143.10742	1.0
145.10161	2.5
147.11725	1.6
149.13261	1.6
151.11195	7.0
153.12839	1.4
157.10260	1.1
159.08069	1.6
160.13402	1.0
161.13290	5.1
163.11172	2.7
179.14302	8.5
196.13315	2.1
209.00581	0.9
214.14420	2.5
222.18518	16.4
223.18951	1.1
240.19608	27.2
241.19583	3.1
259.20535	4.2
274.97427	5.8
277.21634	4.3
292.98633	3.1
320.25842	93.5
321.26074	5.5
336.69617	1.0
338.23636	17.0
338.26950	29.0
339.27432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.3
55.05505	21.7
56.96569	11.4
57.03444	5.5
57.07074	5.6
59.04984	5.2
62.06100	4.1
67.05499	42.0
69.07067	18.2
69.68437	10.2
69.68804	8.3
71.04983	5.3
78.76376	4.0
79.05489	38.5
81.07055	100.0
83.04962	5.3
83.08625	13.1
91.05482	35.9
93.07037	58.4
95.04970	12.1
95.08604	78.0
95.09196	5.1
97.06554	12.6
98.97583	35.8
103.05479	8.7
105.07029	75.7
106.07359	12.7
107.08583	59.6
109.06504	15.6
109.10161	43.2
111.08064	7.5
116.98609	18.5
117.07030	12.0
119.08573	63.1
120.08916	5.8
121.06494	28.3
121.10132	43.2
122.06813	5.0
123.08094	14.0
123.11683	25.3
125.09649	7.2
128.06163	5.8
129.07039	9.5
131.08588	24.7
132.08923	4.9
133.06491	9.7
133.10153	36.4
134.99655	10.0
135.04430	19.0
135.08031	12.4
135.11729	20.4
137.09599	7.3
142.07594	4.7
143.00072	5.5
143.08568	15.2
145.06476	4.8
145.10127	39.4
146.10500	12.4
147.11679	35.9
149.05960	6.3
149.09593	6.0
149.13214	9.6
151.11176	11.3
155.08479	9.5
157.10143	25.5
159.07703	7.8
159.11668	33.4
160.11983	8.6
161.13239	18.0
163.11179	6.7
165.12828	4.7
169.10103	5.9
170.10486	6.9
171.11710	16.8
173.09554	8.9
173.13249	12.4
174.09949	14.3
175.14813	6.6
177.09087	4.8
183.11649	9.9
185.04803	4.4
185.13300	11.8
187.11172	5.9
187.14862	18.2
188.11563	13.4
189.12721	5.9
196.12411	4.2
197.13277	8.0
198.09914	10.1
199.14861	5.7
201.16382	12.8
211.14835	14.4
216.10966	12.5
227.17972	23.4
229.15959	5.7
234.12094	5.1
245.19127	7.7
256.96539	5.9
267.21106	11.1
271.12115	5.2
274.97589	35.0
285.22089	14.0
292.98624	19.2
297.10077	14.7
303.23181	8.4
315.11206	10.6
315.18460	4.6
320.25876	5.8
338.14468	4.6
338.20795	20.3
338.27118	10.9
339.12207	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52901	2.7
70.95076	4.6
94.93024	16.6
96.92809	14.4
97.86575	3.3
98.97574	7.5
104.10740	25.4
112.05254	3.5
112.89679	3.8
114.89397	3.6
116.98640	4.3
132.08127	3.5
135.03223	3.8
136.07584	6.1
139.91455	14.8
140.06824	4.2
141.91119	2.8
152.07092	5.5
154.98616	3.3
156.04208	100.0
158.99681	4.4
160.07559	87.9
161.04784	5.5
164.07085	7.5
177.04172	4.8
177.10146	7.8
180.93028	3.7
182.08177	4.1
194.94545	6.9
195.29401	3.0
196.94418	3.5
203.06009	3.9
205.03683	4.8
209.51755	3.6
213.04266	3.3
219.94293	3.6
222.01909	26.7
222.06366	22.8
297.08682	6.7
303.13217	3.4
322.12750	13.7
339.08542	40.6
339.15421	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.8
69.92762	11.4
69.93082	21.6
71.52969	7.8
77.56618	9.3
98.97588	79.8
115.58276	8.1
116.85021	9.8
116.98650	25.1
145.20534	8.5
178.08638	39.1
198.98936	11.5
219.01814	21.2
237.02792	22.8
256.96411	12.3
274.94678	11.3
274.97409	65.3
292.98517	24.5
297.08270	8.8
338.96814	11.2
339.07910	100.0
340.09796	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.0
65.03943	1.2
67.05494	0.8
69.03411	0.6
70.06566	0.7
70.62460	0.7
72.08163	0.6
72.82857	0.5
79.05482	1.6
81.07052	4.0
81.98808	0.5
83.08621	0.6
84.04515	0.7
84.08150	0.7
84.96009	0.5
85.02872	0.8
91.05475	13.1
93.07042	0.8
94.06563	1.3
95.04923	0.8
95.08600	1.3
96.08124	1.1
97.06532	0.7
98.23512	0.6
98.97581	6.0
99.75860	0.6
106.06543	0.9
108.08110	0.8
109.06490	0.8
110.06044	3.5
110.07175	0.8
116.69946	0.5
116.98615	2.4
118.08634	1.4
119.04938	26.4
120.05280	0.7
122.06033	8.6
124.07594	8.0
134.06015	5.9
134.99643	0.7
136.06070	1.3
136.07571	31.3
137.05919	0.7
137.07906	1.0
138.05455	0.7
140.07045	2.9
141.09058	1.2
142.09462	0.7
143.97707	0.5
147.04399	100.0
148.04721	2.3
150.05472	2.4
152.07059	38.3
158.08188	0.6
161.65065	0.5
163.03957	1.2
164.07060	37.9
165.07452	0.7
166.08624	0.9
168.06563	1.3
170.08127	6.3
177.05377	1.6
178.08624	37.6
180.97838	0.8
182.08124	13.1
200.10704	0.8
214.12277	0.8
219.01768	0.6
222.12492	0.8
232.13335	0.6
237.02841	0.7
256.58871	0.5
256.96442	0.9
260.12805	1.8
274.97485	5.6
285.12405	0.8
292.98605	2.6
303.13382	19.8
304.13818	0.9
321.14438	6.0
339.07980	2.4
339.15646	1.3
340.14047	4.6
357.08661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17887	0.5
53.03935	2.2
55.05517	4.0
56.96564	1.7
57.03428	2.7
57.07059	1.3
59.04994	0.8
63.03427	0.6
65.03934	4.0
67.03086	0.6
67.05503	7.0
68.99795	0.5
69.03392	0.6
69.07059	4.4
69.51173	1.6
71.04996	0.7
79.05486	4.5
81.03416	4.7
81.07049	11.5
83.04974	9.8
83.08613	2.2
85.06548	1.5
86.09701	6.9
91.05472	4.8
93.07046	6.4
95.04979	3.1
95.08599	7.8
97.06528	1.9
97.10131	1.2
98.97582	11.9
101.05988	1.4
103.05470	8.3
105.07024	5.0
107.04933	5.1
107.08598	3.3
108.04450	1.1
109.02931	0.7
109.06506	2.5
109.10164	3.3
111.04446	7.4
111.08086	1.3
116.98618	7.9
117.07022	1.6
119.08566	3.3
121.02849	2.9
121.06499	2.3
121.10130	3.7
123.08054	2.5
123.11698	1.7
125.05984	2.1
129.07014	0.9
131.04924	7.9
131.08559	3.4
133.06474	1.5
133.10109	2.3
134.99625	2.4
135.04405	4.4
135.08047	1.7
135.11685	2.6
137.06021	0.7
137.09590	0.9
137.72235	0.5
139.03893	1.4
139.07533	0.7
141.06920	1.1
145.06502	1.3
145.10129	2.0
146.11800	2.9
147.08113	0.8
147.11714	2.0
149.02339	100.0
149.03386	5.2
149.09630	1.0
149.13255	1.1
150.02658	2.1
151.07516	1.7
151.11176	2.8
154.05046	0.6
155.08583	0.7
157.10110	0.7
159.04381	5.9
159.08075	1.7
159.11655	2.0
161.05959	3.5
161.09685	0.6
163.07610	1.0
163.11172	0.7
163.34204	0.6
165.12634	0.7
175.11246	0.7
177.05478	1.2
177.09097	0.8
177.12744	2.4
180.97847	1.4
187.03868	5.7
187.11195	1.8
187.14804	0.9
189.05440	6.4
191.10677	0.7
195.13817	1.4
198.98891	1.8
205.06555	0.9
205.12357	0.7
217.04942	38.0
218.05272	0.9
223.13329	1.8
232.96510	1.1
233.15346	2.2
235.07390	0.7
241.14374	3.6
243.17673	0.8
256.96484	2.5
261.18558	2.7
263.06989	1.3
271.16971	1.3
274.97491	16.6
278.21158	2.1
283.16931	3.8
289.17935	9.5
291.06525	0.9
292.98575	9.6
293.07907	0.6
297.99115	2.0
311.09317	0.9
316.00159	0.9
321.20566	10.0
321.27866	1.2
338.23193	1.5
338.27042	1.0
338.96970	1.5
339.08606	6.4
339.12430	1.2
339.19257	7.3
339.23288	1.0
339.28601	0.6
340.16599	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
70.29834	1.1
74.17665	0.5
85.02900	0.8
98.97581	6.0
100.67178	0.5
116.98633	4.3
119.04902	0.6
123.22261	0.6
132.08142	0.6
134.99640	1.4
136.07571	1.2
147.04398	2.1
152.07036	1.4
160.07596	8.1
162.05521	0.6
164.07063	0.9
172.94333	0.7
177.10135	0.6
178.08623	8.2
180.97791	1.4
185.04276	1.3
198.98936	1.8
219.60747	0.6
256.96497	1.0
274.97501	9.6
292.98489	4.8
321.14410	0.6
322.12869	0.7
338.96753	1.6
339.10492	100.0
340.10699	4.2
340.13800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.85274	0.4
55.05507	0.4
56.96549	1.0
65.03940	1.4
65.95103	0.4
67.05490	1.2
70.06603	0.7
70.52649	0.6
79.05477	3.2
81.03417	1.0
81.07051	4.7
82.06566	0.5
84.18130	0.5
85.02895	0.7
86.09730	0.8
91.05474	11.0
93.05774	1.0
93.07041	1.2
94.06548	1.9
95.04981	0.9
95.06133	0.5
95.08595	1.2
96.04480	0.5
96.08112	1.3
97.06525	0.6
98.97569	5.5
102.96889	0.5
106.06537	0.9
108.04446	0.6
108.08117	1.3
109.05279	0.6
109.06460	1.0
109.67967	0.5
110.06036	5.6
110.07165	0.5
116.98627	3.4
117.03366	0.7
119.04933	24.6
120.05251	0.8
120.08069	0.7
122.06026	11.9
123.06771	1.5
124.07587	9.7
127.03849	0.6
134.06010	9.3
134.99644	1.0
135.04414	1.4
136.06244	1.7
136.07565	50.3
137.07909	1.5
140.07047	4.6
141.09085	0.6
143.07028	0.7
143.10645	0.7
145.02931	0.6
147.04398	100.0
148.04736	4.4
150.05496	3.6
152.07059	57.5
153.07399	1.6
158.08102	1.1
159.10109	0.6
160.07475	0.5
163.03903	1.4
164.07056	61.3
165.07378	2.0
166.08658	1.0
168.06563	2.2
168.82336	0.4
170.08112	9.2
177.05359	1.5
178.08612	13.0
180.97838	1.2
182.08116	19.1
198.98918	1.6
200.10757	0.9
214.12329	1.5
224.16388	0.5
232.13382	1.4
242.11746	1.0
244.09062	0.5
256.96487	0.7
260.12750	3.4
274.97479	7.8
285.12234	0.7
292.98575	3.5
303.13367	37.1
304.13702	2.8
321.14450	11.7
338.96658	1.6
339.10507	2.5
339.14966	2.4
340.13821	1.6
340.22238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
53.08739	0.5
55.05498	0.7
56.96566	0.6
58.81599	0.5
65.03945	1.9
67.05518	1.4
69.03410	0.6
69.93757	1.6
69.94103	0.5
70.06571	0.7
79.05495	3.3
81.03409	0.7
81.07065	5.3
83.04978	0.7
83.72431	0.6
84.08115	0.7
85.02914	0.6
91.05477	12.4
93.05793	1.0
93.07016	1.4
94.06561	2.7
95.04964	1.2
95.08587	0.7
96.04502	0.6
96.08125	2.0
97.02859	0.9
98.97573	4.3
104.29346	0.5
106.06538	1.2
107.07304	0.6
108.08128	1.1
109.02879	0.6
109.06544	1.1
110.06034	6.8
110.07146	0.8
116.98599	2.1
118.08651	1.3
119.04936	24.9
120.04490	0.7
120.05334	0.8
120.08059	0.6
122.06023	13.6
122.06848	1.0
123.06837	1.3
124.07581	14.4
124.08431	1.2
125.07913	0.8
127.03915	0.7
134.06003	13.7
135.06374	0.6
136.07570	66.9
137.05937	0.6
137.07919	2.3
138.05455	0.7
138.09134	0.7
140.07039	4.1
142.09372	0.6
143.10651	0.9
145.02863	1.3
146.12218	0.5
147.04401	100.0
148.04747	3.5
150.05490	5.3
152.07059	73.0
153.07384	1.9
158.08147	1.6
160.07480	0.5
163.03870	1.3
163.06245	0.7
164.07056	73.2
165.05388	0.6
165.07422	1.6
166.08627	0.7
168.06523	1.5
170.08124	9.4
172.11221	0.9
177.05424	1.6
178.08620	57.9
180.97841	1.0
182.08125	22.9
198.98825	0.9
200.10741	0.8
214.12238	1.0
222.12378	0.6
224.56308	0.5
232.13275	1.6
242.11662	1.7
243.11153	0.7
256.96509	0.7
260.12802	3.3
261.13177	0.7
261.71140	0.5
274.97476	4.7
285.12210	1.9
292.98608	2.8
303.13376	43.6
304.13724	3.4
314.42068	0.6
321.14413	14.7
339.10400	1.7
339.15469	2.5
340.10086	0.7
340.13867	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Burttinol A
Peak:m/z	Relative Intensity
50.01598	0.2
51.02386	0.4
51.03142	0.2
53.00317	0.1
53.03935	0.3
55.01868	0.6
55.05501	0.4
65.03946	0.7
67.05508	0.8
69.29289	0.7
77.03905	1.7
78.04711	0.4
79.05495	5.3
80.05833	0.2
80.06274	0.7
81.07044	0.8
89.03937	0.2
90.04697	0.6
91.05478	9.0
92.06272	0.2
93.07042	2.6
94.04214	0.2
95.04967	2.8
95.08617	1.4
98.97595	0.4
103.05466	7.9
104.05733	0.3
104.06340	0.2
105.03397	1.4
105.04504	1.2
105.07031	9.1
106.04200	0.8
106.07349	0.3
107.04950	8.9
107.08554	0.3
108.05754	3.5
109.06535	2.3
109.44175	0.2
115.05444	3.5
116.06290	0.2
117.07017	4.6
118.04124	0.3
119.04940	1.9
119.06049	0.5
119.08566	0.7
120.05737	0.8
121.06505	16.9
122.03635	0.3
122.06728	0.3
122.07292	0.5
123.04408	0.7
123.08074	4.6
124.08420	0.2
125.05904	0.2
127.05475	0.2
128.06210	1.7
129.07027	2.5
130.04118	0.3
130.07787	0.2
131.04929	15.2
131.08553	0.5
132.05295	0.6
133.06490	29.9
134.06711	0.9
135.04411	73.6
135.08006	3.5
136.05220	16.4
136.08351	0.3
137.05984	8.9
137.09621	0.4
138.06683	0.6
139.07538	0.7
141.07018	1.0
143.04921	3.2
143.08545	1.3
144.05711	0.9
145.06488	8.9
146.07268	10.9
147.04424	0.5
147.08057	7.4
148.05199	1.7
148.08408	0.4
149.05981	11.6
149.09627	0.7
150.06763	12.3
151.07538	100.0
152.07881	3.5
153.06969	0.3
153.09067	0.6
155.04900	0.2
155.06039	0.6
156.05675	0.5
157.06487	6.0
158.07263	2.3
159.04422	0.8
159.08055	2.2
160.05182	0.9
160.08821	1.2
161.05975	5.1
161.09607	0.3
162.06763	2.4
163.07539	27.8
164.08151	1.5
165.09109	30.8
166.06267	1.1
166.09431	1.6
167.07030	0.3
169.06458	1.1
170.07091	0.3
171.08043	3.9
172.05205	0.9
172.08829	1.1
173.05977	3.0
173.09596	0.5
174.06754	4.0
175.07533	4.0
176.08325	3.5
177.09100	60.7
178.09436	2.7
179.07149	0.3
179.10667	1.3
179.14322	0.2
180.07774	1.3
181.08595	2.7
183.08153	0.3
184.08804	0.4
185.05960	2.2
185.09644	0.5
186.06731	1.6
186.10365	0.5
187.07530	6.1
188.08287	3.1
189.09097	12.1
190.09541	1.3
191.07016	0.3
191.10648	4.1
192.07722	0.2
192.10913	0.2
193.08650	0.4
195.08310	0.3
195.10175	2.2
197.09613	0.2
199.07530	0.2
200.08322	0.6
201.09099	8.2
202.07895	0.2
202.09839	2.0
203.06902	0.2
203.08734	0.2
203.10648	4.5
204.11270	0.4
205.10231	0.2
207.08195	0.2
207.10147	4.1
207.12155	0.2
208.08675	0.2
208.10489	0.3
209.06126	0.2
213.09131	0.2
215.08702	0.3
215.10712	1.4
217.08473	0.3
217.10262	0.3
217.12170	2.6
219.08145	0.4
219.10193	0.9
220.08778	0.2
221.09621	0.3
224.08131	0.2
225.09113	0.2
229.10172	0.2
231.08005	0.5
231.10197	0.5
232.08754	0.6
232.10913	0.2
233.09549	1.2
234.10298	0.4
234.99480	0.2
235.07634	0.2
235.11099	0.4
236.08170	0.3
237.09059	0.2
238.10201	0.2
239.10622	0.4
244.08945	0.3
245.09679	1.0
246.10309	0.3
247.07486	0.3
247.11182	1.4
248.08197	0.2
248.11871	0.6
249.09142	1.0
249.12685	0.4
250.09776	0.4
251.10608	0.6
255.10164	0.2
259.11179	0.3
260.11981	0.3
261.09106	1.4
261.11627	0.2
261.12466	0.2
262.09854	0.7
263.06989	0.1
263.08041	0.2
263.10608	1.7
264.11453	0.5
265.04968	0.7
265.08661	0.2
265.12177	0.5
266.09338	0.2
267.10187	0.2
274.09735	0.2
274.97488	0.7
275.10660	1.4
276.11368	1.3
277.08649	0.5
277.12210	1.6
278.09494	0.4
278.12946	2.6
279.10187	0.7
279.13718	1.3
280.11072	0.3
280.14426	0.2
281.11716	0.5
281.15033	0.1
282.08875	0.2
283.06113	0.2
289.12170	0.4
290.13074	0.6
291.10175	0.3
291.13776	0.4
292.10913	0.9
292.98520	0.3
293.11722	2.5
293.14990	0.3
294.12277	1.0
295.09589	0.3
295.12964	0.2
296.10568	0.2
296.13934	0.6
306.12445	0.4
307.10486	0.1
307.13272	5.4
308.14001	6.6
309.11209	0.9
309.14771	9.5
310.11884	0.4
310.15176	1.0
311.16461	1.5
321.11160	0.3
321.14810	4.0
321.24231	0.5
322.15109	0.5
323.12555	0.2
324.13516	8.8
325.13898	0.8
337.14297	0.5
339.15854	60.1
340.16260	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1593
Annotation	Licoagrocarpin
Peak:m/z	Relative Intensity
50.01592	0.3
51.02384	0.7
53.03954	0.5
55.01868	0.8
59.96097	0.2
65.03938	0.6
67.05502	0.7
69.38038	0.5
69.38443	1.2
74.01579	0.2
75.04470	0.3
77.03918	1.5
78.04735	0.3
79.05494	4.8
80.06287	0.4
81.07064	0.6
83.04961	0.3
83.08612	0.3
90.04694	0.3
91.05483	7.0
93.07051	1.5
95.04971	2.6
95.08615	0.7
98.97582	1.7
102.04652	0.3
103.04835	0.5
103.05468	5.6
104.06253	0.3
105.03376	1.5
105.04508	1.0
105.07037	11.0
106.04208	0.4
106.07327	0.2
107.04957	5.5
107.08567	0.3
108.05758	2.0
109.06547	1.2
115.05463	2.2
116.98618	1.0
117.07028	5.1
118.04149	0.4
119.04942	1.7
119.08580	1.2
120.05721	0.3
121.06508	12.1
121.10161	0.3
123.04428	0.5
123.08075	1.2
128.06250	1.1
129.07011	1.9
130.04179	0.5
131.04932	10.9
131.08571	0.4
132.05737	0.5
133.06494	36.1
134.06877	1.2
135.04416	100.0
135.07976	2.4
136.05258	9.1
137.05983	4.4
137.09560	0.4
138.06693	0.4
139.07553	0.4
141.06956	0.3
143.04919	1.1
143.08560	0.6
144.05687	0.6
145.06488	8.8
146.07271	12.9
147.04384	0.4
147.08057	12.4
148.08411	0.5
149.05981	6.4
149.09616	0.9
150.06772	5.5
151.07544	76.6
152.07875	2.2
157.06487	3.0
158.07304	1.4
159.04466	0.5
159.08035	2.3
160.05205	1.1
160.08842	1.8
161.05986	6.8
161.09532	0.3
162.06766	3.4
163.07547	17.9
164.07997	1.1
165.09116	15.4
166.09438	0.3
169.06497	0.5
170.07233	0.3
171.08049	2.3
172.05212	0.4
172.08830	0.7
173.06032	1.8
173.09654	0.4
174.06737	1.6
175.07518	2.8
176.08292	3.1
177.09111	53.6
178.09450	2.7
179.10680	0.7
180.07811	0.3
185.05949	0.5
185.09575	0.3
186.06737	0.8
187.07545	3.4
188.08382	1.4
189.09109	4.9
190.09880	0.4
191.10660	3.5
198.98862	0.3
201.09116	4.4
202.09775	1.2
203.10681	4.2
204.11093	0.3
215.07111	0.3
215.10675	0.8
217.12334	1.5
233.09624	0.4
245.09641	0.6
247.07460	0.3
247.11179	0.7
249.09149	0.6
251.10727	0.3
256.96463	0.5
261.09088	0.4
262.09830	0.4
263.10666	0.9
266.09494	0.3
274.97495	2.2
275.10599	0.5
276.11258	0.4
277.12164	1.1
278.12943	2.2
279.10187	0.4
279.13736	0.5
283.16824	0.4
289.12140	0.5
292.98468	1.3
293.11679	0.5
293.15027	0.3
294.12460	0.7
296.14050	0.3
306.12558	0.3
307.13263	2.0
308.13947	1.6
309.11868	0.3
309.14825	8.3
310.15076	0.7
311.16409	0.6
321.14798	2.6
322.15137	0.4
324.13556	10.5
324.17429	0.5
325.13834	1.2
337.14185	0.4
339.15903	30.5
340.16409	3.5
340.28223	13.2
340.31607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	2.1
55.05507	28.8
57.03431	13.2
57.07071	12.7
67.05495	19.5
69.06712	2.7
69.07062	37.2
69.62445	1.3
71.08619	5.1
79.05499	9.8
81.07056	25.0
83.04975	1.6
83.08615	23.8
85.10152	2.5
87.04418	1.4
91.05489	2.4
93.07027	11.6
95.08599	21.0
97.06511	3.3
97.10152	13.2
107.08598	7.0
109.10149	9.0
110.65619	1.4
111.08051	2.4
111.11739	3.4
121.10159	12.3
123.11707	4.1
135.11678	7.3
149.13272	3.6
159.11697	1.9
163.14792	1.9
233.19461	1.6
247.24152	2.5
265.25214	1.8
310.26221	1.5
339.16925	8.9
339.28928	100.0
340.29141	3.7
340.39392	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
62.98254	6.2
67.05483	0.5
67.29869	0.4
69.37537	0.4
70.73808	0.7
79.05461	0.7
81.07041	1.4
84.68729	0.3
91.05462	0.8
93.07020	1.2
95.08591	1.0
97.56950	0.4
98.97574	0.9
105.07005	1.0
107.08595	0.6
109.10150	0.9
116.98618	0.5
119.08554	0.4
123.11721	0.5
133.10121	0.7
135.04387	1.1
135.11635	0.5
151.07512	1.7
151.11127	0.5
163.07468	0.4
166.86684	0.4
177.09096	1.0
217.07973	0.7
274.97522	1.6
292.98505	0.6
299.18558	0.4
317.19537	2.0
321.17963	7.0
335.20508	1.0
339.19043	100.0
340.15936	0.6
340.19443	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.05836	0.4
57.03434	1.1
57.07074	1.3
67.05505	2.7
68.05839	0.4
69.07071	3.1
70.06609	0.5
70.07375	0.5
70.18193	0.3
71.08616	0.3
72.08121	0.3
74.06086	0.5
79.05481	1.4
81.07059	3.7
82.07392	0.9
83.04983	0.4
83.08619	1.7
91.05480	0.8
93.07046	1.3
94.07390	0.3
95.08600	2.7
96.08138	0.5
96.08965	0.7
97.10157	0.8
98.97589	1.1
105.07058	0.8
107.08610	0.4
109.10188	0.7
114.09177	2.0
116.98642	1.0
119.08562	0.4
121.10154	0.6
123.11687	0.3
135.11731	0.5
178.08713	0.4
274.97537	2.0
275.45532	0.3
283.17014	0.6
292.98633	1.0
338.27634	0.9
338.34177	9.7
339.19083	100.0
339.34537	7.2
340.19467	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1909
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05497	0.9
57.03431	0.5
57.09667	0.3
62.98263	9.6
63.42044	0.4
67.05498	1.3
69.07056	0.4
71.04990	0.5
79.05499	0.9
81.03422	0.7
81.07076	2.2
83.04963	0.8
83.08657	0.5
88.13327	0.3
91.05502	0.8
93.07044	0.9
94.97495	0.4
95.04965	0.7
95.08629	0.5
98.97581	0.5
103.98516	1.9
105.07021	1.1
107.04936	0.4
109.06506	0.5
109.10134	0.4
116.99295	0.8
119.08580	1.2
121.10188	0.6
123.08102	0.5
131.00775	0.4
131.08578	0.5
133.06461	0.6
133.10120	0.6
135.04410	0.8
145.02347	1.1
151.07579	1.1
161.09621	0.5
163.07576	0.6
173.01926	0.4
177.09132	0.5
180.26369	0.4
241.11757	0.7
269.11276	4.3
271.16962	0.4
274.97388	0.4
289.17972	1.4
299.18555	0.7
303.19373	0.5
317.19705	1.4
321.17953	7.5
322.18210	0.4
335.20682	1.3
339.19070	100.0
340.19452	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05502	1.5
57.07062	0.8
66.05114	0.4
67.05500	3.4
69.07069	1.2
69.57362	0.8
69.57733	0.6
70.07397	0.5
79.05489	1.7
81.03419	0.5
81.07065	4.7
82.07382	0.6
83.04982	0.7
83.08620	0.8
84.16679	0.5
91.05482	1.4
93.07034	1.4
95.04985	0.6
95.08598	1.8
97.06498	0.8
97.10199	0.5
98.22788	0.6
98.97581	4.0
100.80845	0.4
105.07045	1.1
107.04961	0.6
107.08591	1.3
108.36684	0.5
109.06519	1.2
109.10142	0.6
112.40608	0.4
116.98631	2.8
119.08569	1.2
121.06486	0.5
121.10152	0.6
123.11709	0.6
129.07043	0.6
131.08568	0.9
133.06465	0.7
133.10118	1.0
134.99651	0.9
135.04419	1.6
145.06389	0.5
145.10153	0.5
147.08031	0.5
149.06059	0.5
149.13249	0.5
151.07542	2.6
163.07500	0.9
165.09100	0.9
177.09111	1.5
178.08606	1.0
198.98929	0.5
239.07082	0.5
256.96616	1.0
274.97479	6.0
283.16940	0.5
289.17770	0.9
292.98563	2.4
297.99103	0.9
321.24164	0.6
339.19049	100.0
340.19623	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1909
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
50.52682	0.3
55.05510	1.0
57.03444	0.5
57.07073	0.6
67.05500	1.2
69.03443	0.3
69.07066	1.1
69.11994	1.6
71.08639	0.3
79.05482	0.7
81.07066	1.5
83.08612	1.0
85.10179	0.5
93.07051	0.8
95.08606	1.1
98.97610	0.6
105.07019	0.7
105.61713	0.3
107.08605	0.8
109.06515	0.7
109.10132	0.6
113.09637	0.4
121.69720	0.3
135.11751	0.4
150.86322	0.3
151.07582	0.4
154.94788	0.3
172.98903	0.3
177.12723	0.4
179.14297	1.0
198.81059	0.3
274.97543	0.5
275.23697	0.3
291.19583	0.5
292.98557	0.5
303.23187	1.0
321.24228	3.1
338.34235	0.5
339.19080	100.0
340.19431	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87760	0.5
53.03933	0.9
55.01860	0.9
55.05505	1.8
65.03924	1.8
67.05509	6.6
69.07056	1.9
70.02953	5.2
71.04981	1.3
71.46523	0.6
72.04523	2.8
77.03909	0.6
79.05492	7.2
80.04548	0.7
80.05016	10.3
81.05802	0.5
81.07048	4.9
82.06570	2.4
83.04974	0.8
83.08614	1.1
85.06571	0.5
87.05588	40.5
88.03991	2.0
91.05479	5.9
92.04997	4.8
93.05770	1.7
93.07027	5.9
94.06561	28.6
95.04967	1.2
95.06902	0.6
95.08627	2.8
96.04513	0.8
96.08094	0.9
97.06526	0.6
98.97599	0.8
99.00797	0.8
100.03999	0.5
105.07021	4.5
106.06559	5.6
107.04980	0.6
107.08587	2.3
107.18215	0.5
108.04451	2.5
108.08117	4.6
109.06506	0.7
109.10144	1.6
110.06039	1.4
116.03458	0.8
117.03414	0.7
117.07011	1.8
118.06535	1.9
119.07386	0.6
119.08566	2.1
120.04465	4.4
120.08065	1.8
121.06503	0.6
121.10173	0.6
122.06036	0.8
124.03941	1.2
128.06235	0.5
129.07021	1.7
131.08569	1.4
132.08118	0.9
133.10104	1.2
134.06049	3.6
134.09679	1.1
135.04434	1.4
135.11658	0.6
136.07549	0.9
136.74719	0.5
137.05923	1.3
138.05486	14.4
143.08534	0.6
145.02824	1.6
145.10107	1.9
147.08064	0.5
147.11703	2.7
148.07613	0.9
150.05478	0.6
151.08647	5.5
152.07066	10.8
154.05006	0.8
158.62483	0.5
159.11786	0.7
160.44554	0.5
161.13219	1.0
169.10233	0.4
171.11691	1.6
177.05421	3.1
178.53305	0.5
180.06540	1.4
187.07581	1.2
188.14320	2.0
189.12695	2.5
191.08514	0.6
198.12784	0.6
203.08549	0.9
204.13841	0.7
206.15359	1.8
207.13805	1.2
216.13811	3.7
217.08675	0.6
218.15402	2.2
223.15623	1.5
224.16486	2.4
230.15419	1.2
231.07915	0.6
232.16986	2.1
234.14845	4.2
236.16496	2.6
241.97690	0.6
247.07394	0.7
248.16373	1.0
250.18002	1.4
258.14856	5.4
261.09180	0.8
262.14383	4.0
274.97446	1.3
275.17371	0.6
276.15958	11.4
277.16284	0.7
279.10150	0.7
280.15472	1.8
286.14383	0.6
289.08600	0.9
293.18610	1.8
294.17020	1.9
295.20105	3.2
304.15558	1.4
307.09598	0.6
321.11105	1.3
321.18146	0.9
322.16428	2.1
322.19919	0.6
339.19128	100.0
340.19452	6.6
340.23813	0.7
340.24463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.1
55.01874	11.6
55.05506	24.6
57.03429	27.6
57.07089	4.1
60.24454	3.3
65.03944	6.0
67.05504	59.3
69.03425	3.6
69.07059	11.0
69.66836	9.6
71.04975	3.9
73.22816	3.6
79.05486	35.3
81.03418	50.7
81.07053	66.1
83.04986	77.1
83.08629	10.3
85.06532	4.1
91.05466	38.5
93.03421	3.7
93.07037	32.4
95.04959	21.0
95.08607	44.2
97.06514	6.8
97.10170	4.2
98.23396	4.9
98.97589	29.8
99.04445	3.8
99.08092	8.5
101.06010	13.3
103.05479	10.0
105.07034	29.6
107.04960	44.0
107.08613	13.7
109.06514	18.6
109.10136	7.5
111.04443	73.1
111.08076	7.7
116.98655	11.4
117.07024	15.6
119.08563	18.6
121.02898	7.5
121.06536	11.9
121.10168	11.2
123.08085	22.8
125.06001	15.3
129.07059	6.5
131.04921	16.6
131.08591	21.4
133.06490	6.6
133.10104	18.1
135.04427	5.8
135.08090	7.5
135.11684	18.7
137.05997	4.3
137.09627	5.4
141.07010	6.8
143.08636	5.1
145.06450	16.4
145.10124	10.1
146.07188	3.2
147.08092	6.1
147.11703	6.9
149.02342	100.0
149.03450	4.2
149.05995	3.4
149.09665	4.9
149.13251	6.9
150.02692	4.7
151.07536	6.0
151.11171	7.5
159.04364	6.2
159.08061	14.1
159.11688	18.0
161.05972	3.8
161.09724	6.6
161.13252	4.9
163.07539	10.4
163.11235	7.4
165.09148	4.4
169.10068	8.1
171.11647	4.3
173.09734	6.0
175.07466	4.0
177.09114	4.8
177.12727	19.1
180.97836	4.1
187.11188	20.1
187.14873	4.4
189.05499	4.3
195.13808	13.0
205.12224	6.2
205.15985	4.3
217.04948	39.7
223.13353	23.5
225.16336	4.5
233.15305	17.3
241.14342	32.3
243.17563	6.4
252.22116	3.8
256.96518	4.4
261.18494	21.1
263.66562	3.6
271.16931	19.4
274.97501	41.9
283.16925	18.6
289.17993	87.1
290.18185	5.3
292.98642	18.6
293.21249	5.8
303.19705	3.9
307.18909	7.3
321.20584	90.2
322.21100	4.6
339.08875	7.7
339.19458	9.3
339.23767	8.4
340.28311	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01883	3.6
55.05509	8.6
56.96548	1.0
57.03430	2.3
57.07062	1.8
67.05500	9.0
69.03408	0.9
69.07069	7.7
69.31271	3.3
70.06586	1.4
71.04984	2.5
71.08641	0.8
79.05489	8.8
81.03405	1.6
81.07052	18.4
82.07378	1.3
82.88194	0.7
83.04984	4.1
83.08617	5.1
85.02899	20.6
85.06525	2.7
88.07602	0.8
91.05466	6.3
93.07036	8.3
95.04951	3.2
95.08598	7.4
97.02844	1.0
97.06532	1.6
97.10164	3.8
98.22756	1.4
98.97575	8.4
99.08012	0.9
105.07037	4.8
107.04936	2.6
107.08575	6.0
109.02869	2.8
109.06528	5.3
109.10130	3.0
110.25295	0.7
111.04414	1.5
111.08082	1.4
113.09638	0.7
116.98619	3.4
117.06992	2.7
119.08568	6.0
121.06522	2.1
121.10152	4.1
123.04404	2.1
123.08074	4.4
125.09635	3.3
129.06961	1.4
131.08611	1.8
133.06503	0.9
133.10100	2.7
134.99641	1.3
135.04411	1.3
135.08046	3.6
135.11690	2.1
137.09537	0.9
143.08516	1.0
145.06453	1.3
145.10107	3.5
147.08064	2.2
147.11748	1.0
149.06061	0.8
149.13246	1.0
151.07518	1.7
151.11093	1.0
153.09100	0.9
153.12749	3.5
159.08028	0.8
161.09607	2.5
163.07536	2.6
163.11159	2.1
165.09114	1.4
170.89597	0.9
173.09602	1.1
177.09103	1.1
178.08652	1.6
179.10669	2.6
179.14305	2.1
180.97917	0.9
181.12248	6.4
189.09154	1.3
189.11197	1.5
193.12215	5.8
198.98950	1.4
221.11795	1.0
233.11774	0.9
237.11177	1.7
243.17377	0.9
247.16856	1.0
255.12181	0.9
256.96542	1.2
261.18454	2.1
271.16956	1.6
274.97488	10.7
275.23627	1.0
289.17947	17.7
292.98578	4.3
297.98950	1.2
303.23175	2.9
307.19122	4.9
321.20538	13.8
321.24234	6.3
332.97089	0.9
338.34125	2.1
339.19019	100.0
339.27731	3.6
339.34506	2.3
340.19708	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.2
55.01873	9.4
55.05509	36.4
56.37704	3.0
56.96555	6.6
57.03434	16.1
59.04998	5.2
62.98260	6.0
65.03946	3.8
67.05502	69.0
68.08759	3.3
69.03418	6.5
69.07065	15.5
71.04993	32.4
73.02908	3.5
74.48334	3.2
79.05495	57.0
81.03423	27.9
81.07059	81.5
83.04980	75.5
83.08628	10.8
84.05399	3.4
85.06555	10.7
91.05479	57.1
93.07043	63.8
95.04971	29.1
95.08608	48.2
97.06530	15.2
97.10163	4.1
98.97585	57.5
99.04475	6.6
99.08099	6.3
103.05470	8.5
105.07030	43.7
107.04949	35.0
107.08597	31.7
108.05720	7.4
109.06524	24.4
109.10163	12.5
111.04438	5.3
111.08115	9.5
113.05979	4.3
115.07591	4.0
116.98627	30.3
117.07021	19.8
119.08584	27.9
121.06523	20.3
121.10170	16.7
123.04429	5.2
123.08031	18.1
125.05991	15.7
128.06209	5.3
129.07008	14.3
131.04944	12.1
131.08600	25.7
133.06490	24.6
133.10118	19.1
134.99667	10.6
135.04404	43.4
135.08063	18.0
135.11702	17.1
136.05206	5.9
137.05981	11.1
137.09636	4.3
141.06993	5.3
143.08572	11.8
145.06499	15.5
145.10094	20.3
146.07278	6.3
147.08046	14.0
147.11678	20.0
149.05969	4.7
149.09654	10.6
149.13271	8.2
150.06778	6.6
151.07547	68.1
151.11232	9.8
155.08530	3.9
157.06517	4.9
157.10147	8.4
159.08014	16.2
159.11702	15.4
161.09546	8.3
161.13310	6.2
163.07550	28.7
163.11192	13.3
165.09084	23.0
165.12779	7.1
169.10127	8.4
171.08066	4.5
171.11696	13.5
173.13278	10.2
174.06818	4.4
175.07526	5.2
175.11203	4.1
177.09084	41.0
177.12738	15.0
178.08681	9.1
179.10666	4.5
179.14349	4.6
180.97951	8.0
183.10168	5.0
185.09747	4.6
187.11185	9.8
187.14839	4.4
189.09129	13.3
189.12766	7.1
191.10709	6.4
191.14275	5.1
197.13249	4.4
198.98973	6.7
201.09131	7.2
201.12773	6.4
201.29893	4.3
203.10622	4.8
203.14241	5.1
205.12129	4.5
205.15984	5.8
207.13847	5.4
214.14444	3.6
215.14304	5.9
217.12265	9.7
219.13777	4.7
232.96472	6.6
233.15355	16.1
237.15004	4.1
256.96356	10.6
261.18549	15.2
271.16971	23.4
274.97504	83.2
289.18002	94.8
289.21457	9.9
290.18314	6.4
292.98566	37.8
297.99069	16.4
303.19580	11.3
307.19067	4.6
309.14877	8.2
321.20642	27.6
321.24301	18.3
322.21347	4.0
338.96671	6.7
339.08868	4.2
339.15729	22.6
339.19107	100.0
339.25165	6.2
340.16449	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03946	4.2
53.53747	1.0
55.01877	2.7
55.05511	16.7
56.96545	1.2
57.03431	3.9
57.07080	5.1
63.91266	0.9
67.05508	16.7
69.03435	2.5
69.06711	1.4
69.07071	20.6
69.46051	1.0
69.50123	4.1
70.38699	1.1
70.39145	0.9
71.04998	3.1
71.08634	9.5
73.06564	1.1
79.05499	25.4
81.03411	5.0
81.07061	81.4
82.07382	1.9
83.04979	10.2
83.08607	7.9
85.02914	2.6
85.06543	3.3
91.05484	13.2
93.06456	1.3
93.07053	19.1
95.04979	5.3
95.08614	29.3
97.06540	6.4
97.10168	4.6
98.22967	4.2
98.97586	10.6
99.08097	12.0
105.07024	9.3
107.04942	7.4
107.08611	17.8
109.02866	1.9
109.06527	48.3
109.10145	8.9
111.04460	7.4
111.08078	4.6
116.98592	5.4
117.07017	6.2
119.04929	1.3
119.08586	12.2
121.06519	6.1
121.10139	12.4
123.04479	5.2
123.08078	28.7
123.11727	3.5
125.05985	5.1
125.09636	3.6
128.09573	1.1
129.07008	1.1
131.08572	5.0
133.06512	1.8
133.10152	7.4
134.99640	2.3
135.08061	10.5
135.11696	6.1
137.06029	1.9
137.09637	5.7
137.13286	2.4
138.24301	1.2
139.07587	1.5
139.11243	2.2
143.08614	1.8
145.06465	4.2
145.10155	6.1
147.07990	2.7
147.11699	3.0
149.06056	1.1
149.09622	5.4
149.13266	4.5
151.07539	4.6
151.11215	2.4
153.09117	1.3
153.12787	8.0
157.10176	1.8
159.08046	2.9
159.11717	5.6
161.09644	4.4
161.13264	1.4
163.07542	4.2
165.09105	2.5
166.90140	1.0
169.10098	1.7
171.11729	1.5
174.06860	1.4
175.07622	1.4
175.11168	1.3
175.14818	1.5
177.09096	2.4
177.12755	6.6
177.16489	2.2
179.10733	2.6
179.14316	25.1
180.97798	1.5
181.12250	2.5
187.11180	4.0
187.14783	1.7
189.09097	3.3
191.10611	1.4
191.14290	2.8
193.12029	1.0
195.17418	1.5
203.12825	1.0
205.15883	2.7
209.15395	2.0
211.16888	1.0
215.14328	1.8
223.16919	10.5
233.15263	1.5
243.17592	2.4
246.04425	1.4
256.96445	2.3
260.73999	1.1
261.18500	3.9
265.18005	15.7
265.25269	9.4
271.16949	4.9
274.97571	13.7
275.23703	9.1
283.17020	1.7
285.22195	3.9
289.17999	26.5
292.98587	7.9
293.24753	7.3
297.99054	2.0
303.19736	2.4
303.23196	35.1
304.20084	1.1
304.23553	2.9
307.19070	2.9
321.20728	6.1
321.24216	100.0
322.24524	8.0
339.24716	16.1
340.16635	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.01871	0.3
55.05286	0.2
55.05516	2.2
57.03435	0.3
57.07070	1.1
67.05499	1.9
69.03426	0.4
69.07078	2.4
71.04982	0.5
71.08591	0.4
71.46368	0.2
72.31327	0.2
79.05512	1.6
81.06612	0.3
81.07063	3.3
82.07394	0.2
83.05007	0.4
83.08615	1.6
85.02926	0.2
85.06539	0.3
85.10188	1.4
91.04954	0.2
91.05466	1.1
93.07034	1.6
95.04967	1.2
95.08611	3.2
97.06525	0.6
97.10191	0.6
98.97585	0.9
99.07974	0.2
105.07044	1.1
107.08602	1.3
109.06525	3.1
109.10143	1.1
111.04472	0.2
111.08066	0.4
113.09653	2.1
116.18092	0.2
116.98592	0.6
116.99322	0.2
117.07042	0.3
117.11958	0.2
119.08593	0.8
121.06499	0.6
121.10148	0.8
123.08062	0.5
123.11697	0.3
125.09650	0.3
126.35290	0.2
131.08574	0.6
133.10130	0.8
135.08066	0.6
135.11707	0.6
137.09586	0.3
145.10133	0.6
147.11685	0.4
150.98232	0.2
151.07524	0.4
153.12750	0.6
155.10559	0.2
157.10175	0.2
159.11694	0.3
161.13240	0.4
163.07521	0.4
163.14882	0.2
168.56087	0.2
173.13243	0.3
177.12811	0.2
179.14317	4.7
181.15871	1.2
183.13840	0.3
189.16272	0.2
191.14296	0.7
193.15843	0.2
201.12732	0.2
203.10497	0.2
251.16399	0.7
265.25241	0.2
270.84061	0.2
274.97385	1.1
275.23660	1.9
285.22296	0.4
289.17883	0.3
292.98645	0.6
293.24658	0.6
297.99069	0.3
303.23190	5.6
304.23499	0.2
321.20923	0.4
321.24234	12.4
322.24603	1.0
339.19077	100.0
340.19495	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03941	0.8
54.29884	0.3
55.01864	0.4
55.05515	20.2
56.05836	0.3
57.03440	9.8
57.07079	9.4
57.07362	0.4
59.05019	0.4
65.03954	0.5
67.05509	13.7
69.07072	27.7
69.31277	1.5
70.07378	0.5
71.04983	0.8
71.08637	4.4
72.04523	0.3
73.06540	0.4
73.76539	0.3
79.05500	5.8
81.07061	17.0
82.07397	0.7
83.04984	0.7
83.08625	19.2
84.08961	0.5
85.06531	0.7
85.10188	2.7
91.05484	0.8
93.07052	8.4
95.08611	17.9
97.06522	2.7
97.10175	10.5
98.10497	0.3
99.08105	1.0
105.04572	0.5
106.17073	0.3
107.08604	5.2
109.10163	7.8
111.08080	2.2
111.11725	3.1
113.09627	0.5
121.10147	9.0
123.11741	2.1
125.09648	1.2
125.13258	0.7
129.09093	0.3
133.10144	0.7
135.11702	5.4
136.12007	0.4
137.13248	1.1
139.11177	1.1
149.13271	3.2
149.42868	0.3
151.14838	0.8
153.12755	1.0
163.14835	1.5
165.16344	0.9
177.16357	0.8
191.17961	0.5
243.21362	0.3
247.24225	1.9
265.25287	2.1
339.28952	100.0
340.29382	9.0
340.39398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73787	0.8
55.05257	1.6
55.05508	23.3
57.03436	10.8
57.07075	8.4
67.05500	18.8
69.07062	33.3
71.03483	0.9
71.04982	1.2
71.08620	4.8
79.05491	7.3
81.07052	19.3
83.08611	24.3
84.08954	1.2
85.10177	1.7
86.04615	0.9
91.05460	1.0
93.07034	10.4
95.08600	18.2
97.06525	3.9
97.10161	14.7
99.08105	1.2
101.06013	0.9
107.08569	5.9
109.10132	8.1
111.08047	1.9
111.11739	4.4
115.78929	0.9
119.08603	0.9
121.10136	9.1
123.11691	2.7
126.10747	0.9
131.17148	0.8
133.98070	0.9
135.11667	7.0
139.11137	1.0
149.13245	3.8
163.14812	2.1
165.16371	1.5
187.77968	0.8
206.05432	1.1
247.24136	1.3
265.25305	3.2
339.28906	100.0
340.29318	9.3
340.39328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65126	0.4
50.74359	0.4
53.03937	1.1
55.01901	0.5
55.05510	28.7
56.05822	0.7
57.03435	11.1
57.07072	11.8
59.04983	0.7
66.95951	0.4
67.05501	18.2
67.05862	1.0
69.07065	37.2
69.14854	2.4
70.07391	0.8
71.04980	1.2
71.08620	5.3
77.03913	0.6
79.05487	7.9
81.07051	20.1
82.07355	0.5
82.85696	0.5
83.04984	1.0
83.08614	24.4
85.06536	1.8
85.10175	2.6
91.05466	1.4
93.07043	9.6
95.04960	0.6
95.08597	18.9
97.06526	3.2
97.10164	12.4
99.08109	0.8
107.08593	6.2
109.10152	7.7
111.08092	1.7
111.11705	2.7
115.11196	0.5
121.10137	8.8
123.11716	3.1
125.09617	1.6
135.11668	5.8
137.13206	0.8
139.11183	0.8
149.13252	3.2
151.14825	0.9
163.14836	1.2
177.16354	0.7
247.24109	1.3
265.25266	2.1
339.28918	100.0
340.29224	7.6
340.39551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28015	0.3
56.18312	0.3
61.00101	0.3
62.06083	0.6
69.03383	0.3
69.51198	1.3
85.02889	0.9
97.02892	0.7
98.97581	0.8
105.05396	0.3
109.51751	0.3
110.07156	0.5
147.04405	0.3
163.06329	1.4
178.08626	100.0
179.03404	0.5
179.08987	3.0
218.95538	0.3
275.97797	0.6
340.10681	0.4
340.13904	11.7
340.18011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01860	5.4
57.03429	6.0
61.02924	5.2
61.52317	1.0
65.09967	1.4
68.99799	1.9
69.03429	37.7
70.70308	2.3
71.04988	4.4
73.02911	4.8
76.20257	1.0
76.77846	1.1
81.03414	22.3
85.02903	100.0
87.00282	1.4
87.00829	50.7
97.02892	32.7
99.04446	14.5
105.01864	88.9
106.02200	1.4
108.04469	2.6
109.02882	27.9
115.03954	1.6
115.26060	1.0
117.01893	1.3
127.03912	67.4
128.04240	1.1
129.01834	3.2
130.05019	1.3
138.24898	1.7
143.07088	1.3
145.04948	35.0
147.02890	2.7
159.02893	9.9
171.02783	1.9
178.08588	2.7
189.03911	2.7
213.03909	3.0
231.04977	21.8
248.07675	1.1
249.06033	8.7
340.18100	1.5
356.29019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03612	1.3
53.03942	2.7
54.96814	1.0
55.01873	7.1
57.03427	5.0
61.02921	6.4
68.99812	1.4
69.03424	38.5
69.49335	5.4
70.03770	1.1
71.04986	3.6
72.05347	1.1
73.02920	6.2
81.03412	19.9
85.02902	100.0
86.03228	2.0
87.00826	47.8
91.03962	1.5
97.02891	29.5
99.04448	12.9
101.02327	1.1
105.01862	94.7
106.02184	1.9
108.04462	1.7
109.02872	25.3
117.01778	1.3
127.03912	76.0
128.04253	1.8
129.01860	1.7
145.04947	38.3
147.02911	1.9
147.04417	1.6
150.37604	1.2
153.01997	1.5
159.02882	10.1
177.03917	1.4
189.03976	4.8
213.03886	2.5
231.04976	24.4
248.07605	1.6
249.06032	9.8
325.57745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
54.29205	1.0
55.01873	7.3
57.03440	5.9
61.02925	6.3
65.76974	1.1
67.05505	1.3
68.99756	1.9
69.03429	35.4
70.36681	1.1
71.04974	2.7
73.02908	5.2
81.03413	20.2
83.04958	1.5
83.08604	3.6
84.04494	7.2
85.02903	100.0
86.03178	1.5
87.00827	43.4
91.03990	1.5
91.05475	1.3
95.17408	1.2
97.02892	35.0
97.10181	1.5
97.52921	1.2
99.04461	10.9
105.01865	78.8
108.04437	1.7
109.02882	24.8
117.01864	1.3
125.09618	1.6
126.05513	2.4
127.03912	73.7
128.04213	1.6
129.01842	3.9
130.05006	14.1
143.10669	3.5
145.04950	38.7
146.05185	1.3
147.02907	1.4
159.02859	11.9
178.08615	2.0
189.04004	2.9
193.12257	2.5
211.13300	5.3
213.03943	2.9
231.04987	22.5
232.05331	1.2
249.06055	6.2
257.09274	1.1
260.93921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01387	0.0
50.01590	0.1
51.02395	0.1
52.03164	0.0
53.00309	0.0
53.03937	0.2
55.01638	0.0
55.01855	0.2
55.05503	0.0
62.10251	0.0
63.02094	0.0
63.02387	0.1
65.03894	0.2
66.04712	0.0
67.01866	0.1
67.05490	0.2
67.70971	0.0
69.03435	0.1
75.02367	0.0
75.04469	0.0
77.03884	0.3
78.04687	0.3
79.05485	1.2
80.05872	0.0
80.06286	0.0
81.03394	0.1
81.07052	0.3
82.07383	0.0
89.03910	0.1
90.04710	0.1
91.05471	3.5
92.05798	0.1
92.06259	0.5
93.06491	0.1
93.07037	0.9
94.04179	0.1
95.04960	0.6
95.05553	0.0
95.08609	0.3
102.04620	0.2
103.05457	5.4
104.05691	0.1
104.06327	0.4
105.03413	0.1
105.04525	0.2
105.07024	3.1
106.04159	0.2
106.07866	0.1
107.04945	3.2
107.08585	0.5
108.05768	0.5
109.06508	1.1
110.06801	0.1
111.04380	0.0
115.05441	3.9
116.06307	0.5
117.07013	2.1
118.04182	0.2
118.07880	0.1
119.04939	0.8
119.06052	0.1
119.08562	0.4
120.05719	1.0
121.06497	6.4
122.03642	0.4
122.07377	0.5
123.04432	0.4
123.08060	1.5
124.05222	0.1
124.08362	0.1
125.05996	0.1
127.05456	0.1
128.06209	2.4
129.06995	5.7
130.04134	0.4
130.05013	0.0
130.07378	0.1
131.04916	8.4
131.08556	1.0
132.05650	0.4
132.08907	0.1
133.06477	2.9
134.07274	0.9
135.04404	3.3
135.08040	7.8
136.05211	1.1
136.08458	0.2
137.05963	9.7
137.09492	0.2
138.06818	0.8
139.07571	0.4
141.06993	0.4
142.04106	0.1
142.07770	0.1
143.04910	5.8
143.08549	0.8
144.05707	1.7
145.06470	6.3
146.03572	0.0
146.07262	2.2
147.04408	0.8
147.08035	8.2
148.05130	0.1
148.08380	0.3
149.05968	6.5
149.09532	0.3
150.06747	10.9
151.07527	18.4
152.08318	3.2
153.06946	0.1
153.09090	0.9
154.09453	0.0
155.04883	0.1
155.06041	0.3
156.05679	1.9
157.06474	6.1
158.07260	3.8
159.03065	0.1
159.04404	1.7
159.08041	3.6
160.05177	3.2
160.08780	0.2
161.05974	2.0
161.09561	0.4
162.06758	1.6
163.07526	14.5
164.08315	12.4
164.11221	0.1
165.09093	15.7
166.09872	2.3
167.10350	0.0
169.06450	0.1
169.07660	0.2
170.07242	0.2
171.06958	0.1
171.08037	4.1
172.05228	0.3
172.08823	2.5
173.05968	5.5
173.09462	0.3
174.06746	12.1
175.07518	16.6
176.06287	0.1
176.08272	2.2
177.09084	8.7
178.09799	0.9
179.10651	0.4
181.06659	0.0
181.08577	0.0
184.07500	0.1
185.09636	0.4
186.06746	0.1
187.06207	0.0
187.07518	4.0
188.08301	13.5
189.09073	28.8
190.09641	1.9
191.10468	0.1
200.08189	0.0
201.09085	1.1
202.08281	0.1
202.09866	3.7
203.10640	9.1
204.11064	0.3
205.10101	0.2
207.07964	0.1
215.08620	0.1
216.09331	0.0
217.10135	0.1
218.07327	0.1
218.10905	0.0
219.08020	0.1
221.09634	0.1
225.08870	0.0
231.08014	0.1
232.08800	0.1
233.09547	0.4
234.10452	0.2
237.09161	0.1
239.10544	0.0
244.08855	0.1
245.09483	0.2
246.10309	0.1
247.07434	0.1
247.11174	0.1
248.11763	0.1
249.08957	0.1
249.12735	0.5
250.09946	0.1
251.10706	0.1
259.11255	0.1
260.08295	0.1
261.09116	0.3
262.09854	0.3
263.10541	0.1
265.08743	0.1
265.12204	0.3
267.10092	0.1
268.10995	0.0
274.99924	0.0
275.10638	0.1
276.11310	0.1
277.12198	1.3
278.09283	0.1
278.12823	0.2
279.10168	0.2
279.13300	0.1
280.10822	0.1
281.11777	0.1
283.09717	0.1
291.13687	0.1
292.10907	0.1
292.14450	0.1
293.11627	0.6
294.12476	0.2
295.09549	0.0
295.12653	0.0
296.10519	0.1
297.11389	0.1
297.14883	0.1
298.11960	0.1
307.13254	0.2
308.13968	0.7
309.14792	5.6
310.11771	0.1
310.15216	0.4
311.13022	0.2
312.13571	0.1
322.15747	0.1
323.12769	0.1
323.16400	0.5
325.14270	1.2
326.14676	0.1
339.15848	0.1
340.16632	100.0
341.16977	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19150	0.7
53.03946	0.6
55.01877	2.7
55.05507	1.7
57.07071	1.3
62.28122	0.5
64.47256	0.6
67.05503	4.7
69.07070	10.0
69.20895	1.7
69.21298	2.1
71.04993	10.5
74.02442	0.8
77.03955	0.9
79.05493	11.6
81.03445	0.7
81.07044	3.7
81.74581	0.6
83.04971	2.8
83.08633	0.8
85.06556	8.9
86.09706	100.0
87.10036	1.5
91.05478	9.5
93.07043	11.0
95.04977	3.2
95.08600	2.1
97.06543	1.0
98.23447	1.3
99.08102	2.2
100.11246	2.2
103.05481	1.4
105.07024	15.1
107.04959	4.7
107.08590	18.1
109.06521	2.8
111.04440	5.2
117.07007	4.9
119.08585	8.4
121.06509	5.1
121.10133	10.6
123.04433	1.0
123.08060	1.7
128.10745	5.0
129.07021	3.1
130.07785	1.4
130.08717	0.7
131.08563	22.1
132.10202	29.8
133.06480	0.7
135.04420	3.1
135.11745	1.9
137.05974	1.5
137.09610	6.4
145.06500	2.8
145.10124	14.4
147.08058	2.5
147.11697	1.9
149.05992	2.2
149.09616	41.4
150.09981	1.2
155.08580	1.4
156.10222	1.3
161.05995	2.1
163.07553	1.0
163.11177	15.4
165.09111	5.8
165.12787	1.4
167.10677	45.0
168.11037	1.4
173.09599	4.3
178.08650	2.1
179.10658	0.7
191.10666	30.1
192.10892	1.2
192.13812	0.9
196.13416	0.8
203.08627	1.1
206.15381	2.1
208.13397	0.8
209.11720	38.0
210.14864	6.3
238.14421	2.2
247.07559	0.7
252.15993	1.6
256.15503	1.2
258.18524	3.3
264.19534	0.7
265.08774	0.8
268.03455	0.6
276.19608	18.0
277.20044	0.9
294.20654	13.9
295.21078	1.3
304.19302	3.1
304.22415	0.6
309.11230	1.2
322.20126	19.0
323.20517	0.8
340.17252	0.9
340.21204	11.3
341.13849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
55.05518	5.5
59.16391	4.3
67.05508	16.6
69.07047	6.1
71.04974	3.8
71.25844	5.8
79.05482	11.0
81.07053	17.7
91.05498	12.5
93.07031	12.6
95.08608	13.3
105.07044	16.2
107.04967	6.2
107.08622	12.4
109.10157	18.0
119.08573	7.2
121.06563	6.0
121.10132	4.6
131.04900	8.8
131.08585	4.6
133.10124	21.0
135.04431	13.1
135.08022	4.9
137.05963	4.9
143.04927	5.2
145.06482	4.5
147.08063	9.0
149.05963	8.6
150.06758	14.9
151.07562	26.4
151.11150	25.7
163.07542	14.9
164.08182	7.8
165.09134	12.2
169.12257	9.1
173.06047	8.6
174.06816	7.3
175.07521	14.6
177.09167	11.9
178.08495	7.2
179.46289	3.9
188.08328	7.0
189.09105	22.0
198.75528	3.6
199.14868	3.7
203.10706	11.1
273.18619	5.9
275.97809	7.1
284.17233	6.3
291.19559	11.3
322.27451	16.6
340.16562	100.0
341.17081	4.7
341.20840	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02000	5.2
55.01856	6.6
55.05510	28.9
62.81926	5.0
67.05511	31.8
67.17462	4.7
69.07070	20.0
71.04993	9.6
79.05499	35.7
81.07055	62.3
83.08648	11.0
88.07617	7.2
91.05481	47.6
93.07045	47.4
95.04965	11.7
95.08604	25.8
97.06539	14.9
98.22619	12.4
98.97662	7.7
103.05447	6.1
105.07032	44.7
105.79505	5.1
107.04985	7.0
107.08613	21.8
109.06538	12.2
109.10191	5.5
111.08102	8.7
115.05418	5.3
116.98651	6.1
117.07027	30.7
119.08579	25.1
120.08895	5.2
121.06531	13.8
121.10169	16.3
123.08082	8.3
125.09628	9.3
128.06296	7.8
131.04945	18.6
131.08577	79.5
133.10152	24.3
135.08073	7.4
135.11711	12.9
137.06020	5.9
139.11185	6.4
141.09096	5.7
143.08560	56.9
145.06464	8.0
145.10135	74.3
146.07384	5.8
147.08025	17.6
147.11632	7.5
149.09633	11.3
149.26927	5.4
151.07547	10.3
157.06659	6.8
157.10139	19.4
159.08118	7.0
159.11687	17.7
159.41565	5.3
161.09671	12.3
163.07532	17.0
169.10219	9.5
171.11812	11.9
172.65479	5.7
175.07672	5.9
177.09093	16.1
178.08681	28.2
181.10124	7.0
183.11703	9.3
188.08405	8.1
189.09224	6.8
195.11736	12.3
203.10661	8.3
203.12805	5.5
220.77960	5.1
227.18034	9.0
229.83147	6.3
237.16399	20.4
245.19058	8.1
248.20320	6.0
255.17445	19.0
263.20203	10.2
273.18484	78.0
275.97760	10.0
283.71808	5.3
291.19565	100.0
291.91153	5.4
292.20129	10.3
308.22113	7.8
323.22147	9.4
340.16711	57.9
341.17242	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22561	3.8
52.51269	3.1
52.54185	3.1
55.01867	11.0
55.05514	39.5
57.03429	8.7
57.07066	7.1
58.40702	4.3
67.05511	52.7
69.03430	4.7
69.07061	21.2
71.07594	5.1
73.38748	3.8
79.05504	23.1
81.03423	6.6
81.07060	70.7
82.07395	5.4
83.04984	100.0
83.08630	8.9
85.06550	10.4
91.05482	33.8
93.07048	36.9
95.04957	7.8
95.08600	20.4
99.08115	4.5
105.07040	46.5
107.04945	11.9
107.08604	37.7
109.06538	10.0
109.10158	54.1
117.07046	10.6
119.08592	9.3
121.06490	4.2
121.10159	10.0
121.37016	4.2
123.08150	6.0
123.11712	16.9
131.08562	15.4
133.06493	10.2
133.10139	71.9
135.08054	7.4
135.11691	4.4
137.09654	3.8
143.08563	4.1
145.10165	6.9
147.07970	5.8
147.11685	7.0
149.05991	3.9
149.09662	11.1
149.13257	4.5
151.07634	5.6
151.11192	71.4
161.09618	6.0
173.09602	3.8
175.11157	4.1
177.09114	12.9
178.08669	16.3
179.10585	7.0
183.13792	34.0
187.14696	3.8
189.09071	5.4
202.74977	3.9
245.18907	7.0
273.18430	23.9
275.98138	4.8
281.24692	6.5
284.17355	9.0
291.19458	11.1
305.21106	28.1
340.16534	9.3
340.19427	44.4
340.28970	17.3
340.39233	4.3
341.20596	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92233	0.7
55.01880	1.7
55.05518	8.4
57.03445	1.5
57.07083	2.0
59.05029	0.6
62.06093	100.0
62.98263	1.9
63.13388	0.6
67.05509	15.8
69.07069	11.5
71.04996	0.9
71.08630	1.3
77.00882	0.9
79.05497	10.2
81.07055	13.2
81.07497	1.1
83.04995	1.5
83.08629	4.7
91.05499	2.8
93.07052	8.4
93.60397	0.7
95.04981	0.9
95.08614	10.9
97.06548	2.7
97.10193	2.0
98.06057	1.2
98.97620	1.0
99.04442	0.9
99.08134	1.1
105.07062	1.9
107.08598	7.3
109.10152	7.3
111.08118	0.8
117.07042	1.2
119.08620	1.6
121.10122	3.1
123.11740	1.5
124.11246	4.4
125.09662	0.9
131.08566	2.2
132.19170	0.7
133.10109	1.0
135.08063	1.0
135.11703	3.9
137.13257	1.1
145.10121	1.5
149.13271	0.9
151.07582	1.1
153.12779	1.7
161.13333	0.9
163.07510	0.8
163.14928	1.1
165.09143	0.8
168.13947	1.1
170.11761	1.0
173.13338	0.8
177.09102	1.0
188.08253	0.7
189.09189	1.3
196.13348	12.5
214.14380	16.0
215.14755	0.8
233.22768	0.9
242.21214	1.4
243.21129	1.3
261.22131	1.9
279.23312	2.7
299.18494	1.3
317.19687	3.5
322.18866	1.4
322.27417	41.3
323.19897	1.4
323.25317	5.5
335.20831	2.6
336.20959	0.9
340.19772	12.9
340.28479	36.5
341.20883	44.6
341.28900	2.5
363.42950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	13.1
65.62092	6.2
70.06584	16.1
70.11440	13.7
84.08138	8.5
85.02914	10.8
88.11285	19.9
91.05800	14.2
98.22850	6.5
98.97594	27.7
102.31310	5.7
110.07163	16.6
110.97581	8.8
112.68682	6.2
116.98628	17.0
127.03857	5.6
160.07593	21.0
161.07950	31.5
162.08360	8.6
178.08621	100.0
179.03391	65.8
179.08995	83.1
197.00998	5.6
201.01810	10.6
205.04840	6.0
218.08690	10.0
234.99712	12.4
258.99738	13.7
274.97507	6.7
277.00839	11.6
298.97659	6.0
316.98837	9.7
340.13998	7.6
341.06650	7.1
341.12549	27.3
342.11728	15.7
359.02939	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.66003	0.2
57.03429	0.6
59.04990	0.2
60.06083	0.2
61.02929	0.6
67.32268	0.2
67.80529	0.2
69.03427	1.4
69.65670	0.7
70.06583	0.4
71.04968	0.3
71.08633	0.3
72.08161	0.3
73.04746	0.2
80.69422	0.2
81.03432	0.6
81.07063	1.0
85.02911	3.0
86.24223	0.2
87.04460	0.3
89.03924	0.3
91.03935	0.3
95.04974	0.2
97.02888	1.3
98.97559	0.3
99.04454	0.3
99.08117	1.1
103.07574	0.3
105.01849	0.3
105.03342	0.3
107.04996	0.2
107.16598	0.2
109.02863	0.5
109.06512	1.1
117.03389	0.4
117.09132	5.8
123.04427	8.4
124.04802	0.3
127.03918	0.8
127.07576	2.4
129.06914	0.2
131.04913	0.3
132.61107	0.2
133.02855	8.3
133.03873	0.4
135.04430	1.8
137.05919	1.2
138.72519	0.2
145.04939	0.5
149.06015	0.2
151.03903	4.1
161.02286	0.3
163.09662	2.0
177.05403	0.3
178.08632	2.2
179.03387	100.0
179.08899	3.3
180.03717	3.1
187.07483	0.4
195.11317	0.4
217.08640	0.4
221.15689	0.2
224.13858	0.3
251.18810	0.2
263.10385	0.2
291.09848	0.3
323.12643	0.4
340.61545	0.2
341.08432	1.2
341.12210	1.0
341.15073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01867	1.6
56.96565	1.6
69.03437	1.9
70.06585	4.3
71.04996	2.2
72.08186	1.2
73.04763	1.3
75.87841	1.1
79.05504	3.3
81.03414	1.7
81.07053	3.0
81.08939	1.1
83.89671	1.1
84.04520	1.8
84.08149	1.2
85.02901	2.7
86.09699	6.1
91.05489	4.8
93.07048	1.4
94.04177	3.6
95.05019	1.9
98.97633	1.7
103.05485	2.9
103.07621	1.2
105.03420	1.4
105.04601	1.3
105.07045	3.4
107.04945	2.1
109.06544	3.9
111.04307	1.2
113.07118	4.8
115.05454	2.7
116.07099	2.1
117.07054	2.1
119.04935	2.3
122.03674	8.7
123.04427	2.2
125.06001	1.3
128.06233	2.5
129.07013	10.5
129.19261	1.0
130.05026	2.4
131.04967	3.3
131.08548	2.1
133.02843	2.6
133.10126	2.8
137.05981	100.0
138.06367	1.3
143.04868	1.5
143.08569	1.4
144.05730	4.0
145.04892	1.2
145.06508	2.4
146.07381	1.2
147.04408	3.6
149.05978	2.6
151.03923	3.1
151.07558	6.5
153.05493	2.6
156.05699	1.6
157.06514	6.9
157.22919	1.3
158.07220	1.9
159.08066	1.2
160.05197	3.3
161.06000	3.2
161.09665	3.1
163.07524	1.9
164.06982	1.3
165.05528	2.5
167.07011	1.7
168.05659	1.2
171.08018	2.1
172.05215	5.9
174.06776	15.2
175.07567	11.1
177.05507	2.7
177.09120	1.3
178.08615	2.7
179.07062	2.8
179.08611	1.6
180.06564	1.2
184.05209	1.6
187.07544	53.7
188.08153	3.8
189.09120	23.3
190.07732	1.2
191.07059	1.5
191.08571	4.1
196.05301	1.4
199.07591	5.9
199.18161	1.7
202.06158	1.3
202.07800	4.8
203.08553	10.0
205.06500	3.0
206.07230	1.2
207.08023	1.2
208.08900	2.1
211.07536	7.0
217.08609	32.9
219.08058	10.6
220.08794	7.1
221.06033	1.7
227.06972	5.8
229.07745	1.3
231.08070	15.0
232.08786	4.0
233.06114	2.2
233.09631	2.7
235.07495	3.1
236.08328	4.1
237.09143	3.4
239.07056	4.3
240.07826	4.0
246.25325	1.2
247.07564	9.1
248.08311	15.8
249.09059	4.1
250.06241	1.3
251.10693	6.6
253.08690	2.8
255.06563	4.1
256.07309	3.1
259.07510	5.3
260.08255	3.7
261.09024	3.8
262.09659	1.3
263.07629	1.7
263.10736	14.4
264.08005	5.3
264.10458	1.1
265.08411	5.5
268.07309	1.8
269.08060	2.2
270.08862	10.7
271.09650	16.7
276.07800	8.6
277.08505	4.5
279.10138	18.1
280.10760	3.7
281.08057	3.5
283.09683	4.0
291.10153	37.0
292.10696	5.6
293.08032	7.0
293.11362	2.1
296.10507	12.5
297.11273	2.0
305.11554	1.6
308.10486	5.5
309.11102	6.6
311.12811	23.9
323.12793	44.8
324.13080	2.7
341.06400	1.3
341.13788	15.8
341.18326	2.6
341.21732	2.2
341.25015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01865	1.0
62.82228	0.8
65.03928	1.0
69.16280	0.7
69.18346	3.8
69.18746	1.5
71.04968	0.9
72.72149	0.7
79.05511	2.1
81.07060	1.5
91.05486	2.9
94.04194	2.9
95.04950	1.3
105.07024	1.4
107.04932	1.9
109.06526	2.6
111.05567	1.4
115.05470	1.5
122.03649	5.0
128.06207	2.3
129.07016	8.6
131.04889	2.1
133.02808	1.9
133.06378	0.8
137.05969	100.0
138.06288	2.1
143.04971	0.8
143.08618	1.2
144.05682	2.2
145.06505	1.0
147.04384	2.0
149.05969	1.0
151.03899	2.2
151.07527	3.9
153.05412	1.4
157.06494	6.4
160.05185	2.0
160.92662	0.7
161.05992	2.3
163.07597	1.7
165.05437	2.2
167.07063	1.0
171.08052	1.0
172.05214	5.3
173.67763	0.9
174.06755	9.0
175.07542	7.9
175.67485	0.7
177.05505	1.9
179.07034	2.0
185.05968	1.9
187.07533	31.9
188.08147	1.6
189.07153	1.1
189.09081	11.9
190.07774	1.6
190.09343	0.8
191.07063	1.6
191.08577	4.6
192.09557	0.9
196.05139	1.3
199.07472	4.4
202.07799	3.0
203.08545	10.6
205.06512	2.1
207.07784	0.8
211.07597	4.3
217.08585	18.3
217.10089	0.7
218.07123	1.0
219.08047	11.1
220.08797	4.7
221.05907	1.3
221.09425	1.0
227.07054	5.1
231.08025	15.1
232.08621	2.1
233.05937	2.4
233.09682	1.6
234.06734	1.0
235.07495	2.3
236.08336	2.7
237.09087	2.2
239.06999	3.6
240.07736	2.2
247.07516	7.9
248.08289	13.0
249.09001	3.4
250.06148	1.2
251.10672	4.8
253.08621	2.4
255.06454	6.6
256.07291	1.7
259.07547	6.4
260.08224	2.9
260.29678	0.9
261.09094	3.5
262.09955	0.9
263.07083	1.5
263.10651	12.8
264.07806	3.1
264.10815	0.8
265.08652	3.9
268.07364	1.3
269.07846	1.0
270.08835	10.5
271.09665	8.1
276.07809	7.0
277.08392	3.7
278.05811	0.8
278.09375	1.4
279.10156	14.0
280.10727	1.9
281.08020	0.9
281.11725	1.0
283.09662	2.7
291.10141	29.8
292.10678	3.3
293.08078	3.8
295.09659	1.2
295.13129	0.8
296.10373	7.6
297.11121	1.9
308.10419	4.3
309.11282	2.2
311.12717	12.5
323.08936	1.6
323.12766	32.9
324.13174	2.6
341.13754	18.6
341.20740	1.5
342.13928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.05505	1.4
63.08829	0.9
65.50324	0.9
66.81639	1.0
67.05504	2.4
67.06696	1.0
69.03445	1.6
69.07090	1.3
71.04980	2.2
71.22762	1.0
79.05488	4.4
80.90798	1.1
81.07069	2.8
85.02880	1.3
86.09692	6.3
91.05474	7.5
93.07054	3.0
94.04208	2.6
95.04991	1.7
95.08615	1.7
100.11288	1.7
103.05466	2.9
105.07026	11.3
107.04952	2.3
107.08604	2.6
109.06520	2.9
111.04446	1.0
111.05510	1.3
114.81374	1.0
115.05470	3.2
117.07009	2.6
119.04990	1.7
119.08561	5.7
121.06559	2.2
122.03665	9.3
124.07582	1.1
128.06218	1.4
129.06987	4.3
130.06526	39.1
131.04941	2.0
131.08527	2.0
132.05722	2.5
132.10220	1.6
133.06487	5.7
133.10095	1.9
134.06021	3.0
135.11740	1.1
137.05977	100.0
138.06334	3.2
139.03870	2.4
142.12231	1.9
143.04913	1.3
144.05782	1.3
145.04948	1.4
145.06476	1.2
146.03584	1.5
147.04448	3.1
147.08044	5.0
148.95425	1.5
149.05963	2.5
149.09633	1.5
151.03880	1.9
151.07564	3.2
153.05542	2.0
154.12398	1.4
155.04863	1.2
156.05711	1.3
157.06465	1.9
159.08003	2.2
159.11694	1.1
160.05222	1.4
160.98790	1.2
161.05988	12.8
162.05499	2.6
162.06772	2.5
163.07524	1.9
163.11136	1.6
165.06967	1.5
166.05023	9.4
167.07024	1.9
171.08040	1.8
172.05263	1.7
175.07541	27.5
175.71518	1.1
177.05545	1.7
177.09138	2.0
178.08627	1.2
179.09142	1.0
179.10596	1.2
187.07520	10.8
189.09106	1.7
190.07788	3.3
191.08537	8.6
191.10150	1.2
199.07549	8.6
201.08987	1.1
202.07840	4.5
203.08586	7.1
206.07191	1.2
208.06042	2.2
208.08859	1.3
212.05458	6.0
214.71033	1.1
218.07257	2.7
219.08060	10.6
220.08780	2.4
231.08018	7.2
232.08957	1.4
232.13257	2.0
235.07623	1.7
236.08150	1.6
247.07585	5.5
248.08359	4.1
249.09244	1.6
251.10657	13.3
259.07474	5.1
260.12766	7.4
263.10690	3.8
265.08667	4.2
269.08105	3.0
270.08612	1.1
271.09570	1.9
276.07831	1.5
277.08511	2.2
278.13956	7.8
279.10159	11.9
281.11545	1.7
284.09308	1.3
291.10062	10.0
292.10852	3.5
295.13049	1.1
296.10550	1.8
297.11423	2.0
306.13422	1.8
309.11060	2.4
311.12738	14.5
314.13757	2.3
323.12671	6.5
341.13913	6.2
341.21136	1.7
342.13336	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01873	1.0
55.05503	1.0
58.06607	0.9
61.08687	0.7
67.05502	1.7
69.03421	1.8
69.07069	0.8
69.17455	4.6
70.06602	2.7
71.04987	2.0
72.56476	0.7
79.05500	4.3
81.07042	2.2
85.02901	1.4
86.09772	0.8
91.05478	5.1
93.03445	1.3
93.07047	1.0
94.04177	2.6
95.04975	2.0
97.02899	0.9
98.10496	0.9
98.23419	2.0
103.05464	2.4
105.07027	3.4
107.04951	2.2
109.06517	2.9
109.10179	1.4
111.04453	0.8
111.05579	2.3
115.05456	1.7
119.04964	2.9
121.06523	0.9
122.03641	8.3
123.08041	1.0
125.05993	0.8
125.09619	1.4
126.10025	2.0
128.06244	3.4
129.06993	10.2
130.04147	0.9
131.04922	3.2
131.08543	1.5
133.02916	0.9
133.06500	3.1
137.05975	100.0
138.06340	3.6
139.05490	0.8
143.10693	1.6
144.05721	2.7
144.11043	1.3
145.06499	2.1
147.04422	2.3
149.06013	1.9
151.03911	2.3
151.07518	5.4
153.05641	0.8
157.06467	7.9
160.05154	1.9
161.05980	5.8
162.06804	1.0
163.07556	2.7
163.11211	1.7
165.05498	1.3
165.06834	0.8
166.76395	0.9
167.07047	1.9
171.08081	1.4
172.05174	6.8
173.06018	0.9
174.06746	6.9
175.07535	11.4
177.05510	1.5
177.09041	1.5
179.07076	1.5
182.16515	0.9
185.05992	1.8
187.07539	32.4
188.08174	2.3
189.09065	12.3
190.07837	1.8
191.07028	1.6
191.08571	4.1
196.05151	1.1
199.07593	3.2
202.07677	3.8
203.08548	10.2
205.06569	2.6
206.07222	1.0
207.08076	1.3
208.08827	1.3
211.07539	5.4
217.08586	18.8
218.07274	1.6
219.08044	10.0
220.08748	4.5
221.09554	1.4
222.06845	1.2
225.09288	1.2
227.07072	6.4
230.07246	1.0
231.08031	14.8
232.08696	3.9
233.05991	2.1
233.09583	1.3
234.06535	1.0
235.07521	2.4
236.08331	3.0
237.09064	2.7
238.08777	0.9
239.07024	5.1
240.07878	1.8
247.07570	9.2
248.08313	14.2
249.05583	1.0
249.08942	3.9
250.06244	1.9
251.10678	6.6
253.08527	1.4
255.06490	4.8
256.07098	1.2
256.09656	1.6
259.07593	5.6
260.08255	2.4
261.09097	2.9
262.09885	1.4
263.07693	1.3
263.10693	13.1
264.07800	2.8
264.10788	1.2
265.08566	6.7
268.07169	1.2
270.08829	9.4
271.09573	6.4
276.07816	8.0
277.08575	4.5
278.09271	1.4
279.10159	13.0
280.10870	1.7
281.08197	1.9
281.11627	2.9
283.09616	2.3
284.09195	1.7
286.14304	2.5
291.10156	30.7
292.10663	2.7
293.08179	4.7
293.11136	1.2
295.09579	1.9
296.10455	7.1
297.11087	3.9
308.10272	4.0
309.11203	6.8
311.12769	14.4
314.13846	11.0
323.12759	27.1
323.19199	1.2
324.13089	2.1
341.13675	16.4
341.20813	2.6
342.13367	14.7
342.17056	1.7
349.68112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Xestosaprol A
Peak:m/z	Relative Intensity
55.05481	0.9
57.03422	0.3
59.04982	0.8
67.05465	0.8
69.69926	1.2
79.05469	0.8
81.07041	0.8
83.08611	0.5
91.05432	0.5
93.07006	0.7
95.08561	0.7
95.63901	0.3
97.06487	0.5
97.10172	0.4
98.97549	0.4
99.88161	0.4
105.07017	0.6
107.08543	0.7
109.10105	0.6
119.08552	0.4
121.10079	1.0
125.09623	0.6
135.04407	0.6
135.08011	0.3
137.06012	0.4
145.10091	0.5
195.08057	0.8
209.09534	0.6
222.06746	0.8
223.07533	5.6
229.14279	0.5
235.58514	0.4
237.09052	1.7
239.07034	0.7
250.05899	0.5
251.07014	92.7
252.07500	7.6
253.08601	1.5
261.08908	0.7
262.09903	1.4
263.07031	7.8
263.09921	0.6
264.07141	0.5
265.08600	7.0
269.08105	2.4
273.18610	0.5
275.07013	2.6
276.07690	0.6
276.97205	0.4
277.00769	0.4
277.08560	0.6
277.12158	1.4
278.96964	0.3
287.10614	4.4
289.08603	2.1
290.09335	3.1
291.19366	0.8
305.11691	14.0
305.17130	0.7
305.21036	0.6
306.12234	1.0
323.12756	100.0
324.13089	8.2
341.13809	13.8
342.14182	1.0
342.24026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73052	0.6
56.02701	0.6
56.96568	2.3
58.06595	1.5
69.03424	1.7
69.04360	0.7
69.62750	0.7
70.06575	1.4
71.43754	0.8
72.12709	0.6
73.04751	1.2
74.09720	1.4
78.81950	0.6
80.25641	0.6
84.08150	1.4
85.02895	1.2
88.51256	0.6
91.05808	2.2
98.97587	17.6
110.07170	0.7
112.07612	18.1
116.98631	11.1
119.01893	0.8
127.04023	1.2
134.99658	4.0
137.05956	1.1
140.05579	3.1
143.82698	0.7
152.05598	0.9
153.28838	0.7
158.05298	0.9
158.06625	17.1
159.06773	1.5
160.07590	0.8
164.55728	0.8
170.06590	4.3
174.04375	1.0
174.09792	1.3
174.97681	4.6
176.07681	12.4
177.00958	0.8
178.00996	0.8
179.03383	4.4
180.08934	1.2
186.04330	0.8
188.07690	10.4
192.98735	2.5
198.97446	0.9
200.07730	8.0
204.02611	0.7
212.07693	31.4
213.07962	2.3
214.95622	1.4
216.98732	9.9
217.98877	1.2
218.08743	7.3
219.01999	1.9
220.02071	0.8
221.01575	0.7
223.70135	0.7
225.10847	10.5
230.08765	20.1
231.08795	0.8
232.96693	2.7
234.99722	13.1
235.99928	1.1
239.12302	1.5
243.11937	3.5
250.97812	1.2
251.12413	47.2
252.12624	2.9
256.96671	3.3
258.99756	7.5
263.12433	30.5
264.12674	2.8
269.13461	21.1
270.13708	1.7
274.97717	7.9
275.97778	1.2
277.00821	8.0
281.13477	100.0
282.13654	6.6
292.98938	1.2
293.91443	0.8
298.97751	14.7
299.97934	2.9
304.14954	1.1
316.98810	19.2
317.98962	3.4
340.99014	6.2
341.13879	0.9
341.98978	1.1
358.99692	10.2
360.00055	2.2
360.09839	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1744
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
55.01855	0.5
55.05514	0.8
57.03432	0.5
59.59453	0.3
62.78481	0.3
65.03926	0.9
66.04710	0.5
67.05497	1.9
68.33923	0.3
69.07050	0.6
69.29768	0.8
69.30153	0.8
77.03909	0.5
78.04675	0.4
79.05486	3.6
80.06261	0.5
81.07053	2.7
83.08617	0.6
90.04651	0.4
91.04939	0.6
91.05473	8.5
93.03426	0.4
93.07029	2.3
94.04180	2.4
95.04950	2.3
95.08595	1.3
97.06513	0.5
98.97577	0.5
103.05452	3.3
105.07030	5.2
106.04150	0.5
107.04946	8.2
107.08592	0.9
108.05758	2.0
109.06534	3.6
109.10141	0.8
115.05454	1.9
116.98557	0.4
117.07007	2.3
118.45758	0.4
119.04932	1.2
119.06033	0.8
119.08546	0.8
120.05723	0.6
121.06495	13.0
121.10135	0.8
121.92052	0.3
122.03638	4.2
123.04368	0.5
123.08076	2.0
125.09624	0.6
128.06218	0.8
129.06978	2.1
131.04906	4.5
131.08527	0.5
132.05699	0.7
133.06479	20.8
133.10150	0.9
134.06857	0.4
135.04381	3.2
135.08035	3.7
136.05185	16.5
137.05965	79.8
138.06259	2.1
139.07500	1.0
143.04936	2.9
143.08562	1.0
144.05637	0.4
145.06487	4.0
146.07260	4.6
147.08040	9.4
149.05936	1.1
149.09653	0.5
150.06750	6.3
151.07526	100.0
152.07840	2.9
153.09071	0.8
155.05907	0.5
157.06477	5.0
158.07246	1.1
159.08025	1.8
160.08777	0.7
161.05965	0.8
162.06767	0.8
163.07524	10.8
164.08263	0.7
165.09097	16.0
166.09422	0.6
171.08041	2.5
172.08778	0.8
173.06015	0.9
174.06755	3.8
175.07530	4.4
176.08292	0.8
177.09096	27.1
178.09444	1.4
179.10617	0.5
185.05922	0.4
187.07526	3.4
188.08273	2.7
189.09091	11.1
190.09613	0.6
191.10683	2.5
201.09109	3.9
202.09824	0.8
203.10658	6.5
204.11134	0.4
217.12164	2.2
247.11238	0.4
249.12766	0.6
261.09277	0.4
263.10687	0.7
269.07977	0.4
273.18631	0.5
277.12219	2.1
278.12955	2.1
281.11792	0.4
289.17963	0.9
291.19513	0.6
294.12396	0.8
295.12802	0.6
306.17798	1.0
309.14798	19.6
310.15256	1.9
323.11615	0.6
326.15094	13.9
339.15891	0.9
340.28204	4.4
341.14078	1.7
341.17426	36.5
341.20593	1.3
341.28525	15.5
342.17609	2.7
342.28448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.175
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
51.02375	0.3
55.01866	0.4
65.03936	0.6
66.04729	0.2
67.05501	0.5
69.37278	0.2
71.21765	0.2
77.03936	0.7
78.04717	0.3
79.05496	1.9
80.06247	0.3
81.07058	1.6
82.83226	0.2
90.04713	0.4
91.05486	6.3
92.05788	0.3
93.07050	1.8
94.04190	2.2
95.04996	1.5
95.08611	0.3
98.23246	0.2
103.05464	3.0
105.03425	0.3
105.04516	0.5
105.07037	3.9
106.04176	0.5
107.04961	6.5
107.08609	0.3
108.05772	2.1
109.06516	4.1
111.95924	0.2
115.05459	1.6
117.07042	2.0
118.04145	0.3
119.04957	1.1
119.06091	0.7
119.08571	0.7
120.05737	0.5
121.06509	11.8
122.03646	4.6
122.06811	0.2
123.04433	0.6
123.08095	1.2
128.06236	0.6
129.06996	1.7
131.04926	4.1
131.08582	0.4
132.05728	0.3
133.06497	22.9
134.06891	0.6
135.04427	3.2
135.08072	3.4
136.05206	17.0
137.05984	73.6
138.06279	1.9
139.07530	0.5
142.07774	0.2
143.04919	2.7
143.08568	0.8
144.05663	0.4
145.06491	3.5
145.10237	0.2
146.07286	3.9
147.04462	0.3
147.08052	7.8
148.08466	0.3
149.05988	0.9
149.07072	0.3
150.05797	0.1
150.06767	7.5
151.07549	100.0
152.07872	2.9
153.09143	0.7
155.06161	0.2
156.05679	0.3
157.05516	0.1
157.06499	5.3
158.07268	1.2
159.08043	1.4
160.05228	0.6
160.08820	0.8
161.06012	0.9
162.06775	1.3
163.07550	9.0
164.08063	0.4
165.09122	16.3
166.09470	0.6
171.08037	2.8
172.05202	0.4
172.08704	0.5
172.38345	0.2
173.05936	1.0
173.09645	0.2
174.06787	3.3
175.07545	4.5
176.08286	1.1
177.09117	26.8
178.09462	0.8
185.09544	0.2
186.06844	0.5
186.10391	0.4
187.07544	2.4
188.08324	2.7
189.09103	10.3
190.09677	0.6
191.10687	2.0
201.09128	3.4
202.08089	0.3
202.09770	0.9
203.10655	4.5
215.10664	0.3
217.12254	2.0
245.09578	0.4
246.10225	0.3
247.07573	0.4
247.11237	0.3
249.12799	0.5
259.11331	0.2
261.09253	0.3
263.10684	0.9
267.13281	0.2
277.12241	1.4
278.12979	2.4
279.10104	0.4
281.12015	0.3
294.12546	0.8
295.13361	0.6
309.14850	18.0
310.15259	1.5
312.13388	0.2
326.15137	11.1
327.15384	0.6
339.15845	1.2
340.28262	1.8
341.17453	27.9
341.20981	3.2
341.28485	3.3
342.17822	1.9
342.21408	0.3
354.81006	0.2
357.38974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.175
Annotation	(R)-Isomillinol B
Peak:m/z	Relative Intensity
50.01590	0.3
54.54465	0.3
55.01867	1.1
55.05504	0.6
65.03939	0.5
66.04725	0.5
67.05496	1.0
67.57085	0.3
69.79829	0.3
71.45117	0.4
75.54967	0.4
77.03931	0.7
79.05486	3.0
81.03406	0.5
81.07063	1.2
89.36457	0.4
91.05479	8.6
93.07057	2.2
93.07518	0.3
94.04178	2.1
95.04963	1.7
95.08599	0.9
103.05465	7.1
105.03403	0.5
105.07039	10.0
106.04181	0.4
107.04965	6.9
107.08598	0.7
108.05756	2.5
109.06515	2.8
109.10159	0.5
115.05459	2.1
117.07035	4.0
118.07395	0.4
119.04935	1.3
119.08555	1.4
121.06512	13.9
122.03654	7.3
122.07073	0.4
122.61994	0.4
123.04443	3.6
123.08070	1.1
128.06209	0.9
129.07018	2.6
130.04138	0.7
131.04936	9.9
131.08560	0.6
132.05739	0.8
132.94749	0.3
133.06494	37.5
134.06853	0.9
135.04422	3.9
135.08073	2.9
136.05197	12.0
137.05981	100.0
138.06277	2.7
143.04932	1.6
143.08521	0.5
145.06502	5.2
146.07281	9.0
147.04413	1.4
147.08055	15.1
148.05170	0.8
148.08437	0.6
149.05981	2.7
149.09589	0.4
150.06772	4.4
151.07545	96.6
152.07872	3.0
153.09151	0.5
155.06044	0.5
157.06488	3.8
158.07245	1.0
159.04395	0.5
159.08105	1.7
160.05211	0.8
160.08835	1.5
161.06009	2.4
162.06761	3.7
163.03879	0.4
163.07545	16.6
164.08261	0.5
165.09119	14.7
166.09492	0.5
171.08061	2.4
172.08871	0.6
172.88104	0.4
173.06029	1.0
174.06740	2.4
175.03952	0.7
175.07539	3.4
176.08345	2.3
177.09114	44.9
178.09464	1.6
179.08968	0.4
179.10655	0.6
187.07532	3.0
188.08313	1.4
189.09096	8.2
190.09515	0.5
191.07013	1.0
191.08775	0.5
191.10651	2.1
196.67982	0.4
201.05530	1.1
201.09183	2.5
202.09901	1.1
203.10701	4.3
213.75685	0.4
215.10666	0.5
217.12227	1.6
219.08064	1.0
237.09232	0.4
245.82365	0.4
247.07489	0.7
248.08313	0.4
249.12706	0.5
262.09863	0.5
263.10693	0.8
265.08527	0.8
277.12268	1.6
278.13135	2.7
292.21490	0.4
293.08112	0.6
294.12485	0.9
305.08093	0.7
305.17767	0.6
309.14838	15.6
310.15314	1.0
323.09125	0.8
326.15134	14.2
327.15561	0.7
339.16025	0.4
341.17487	20.2
342.17920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05502	1.2
57.07082	1.0
67.05495	1.8
69.07056	1.1
71.08648	0.8
79.05483	1.4
81.07059	2.2
91.05495	1.6
93.07042	1.7
95.08584	1.9
105.07072	1.1
107.08611	1.2
109.10165	1.1
119.08617	1.5
121.10142	1.4
125.09631	2.9
127.46418	0.7
133.10074	1.0
145.10104	1.4
176.52516	0.8
262.13754	0.8
275.19916	1.2
293.21237	0.9
341.20609	100.0
341.26535	14.1
342.20993	7.5
342.37274	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.7
58.60364	0.4
62.97934	0.6
62.98249	9.0
67.05508	2.5
69.07050	1.8
69.55022	1.8
71.08628	1.0
72.12943	0.4
79.05482	1.5
81.07056	2.6
83.08601	0.7
91.05482	1.2
93.07048	1.5
95.05021	0.4
95.08604	1.5
97.06504	0.5
99.08070	2.1
105.07008	0.7
107.08590	1.2
109.10126	0.8
119.08530	0.7
121.06358	0.5
121.10107	1.3
127.89043	0.5
133.10068	0.7
135.11655	0.7
147.11736	0.5
149.13274	1.0
151.07520	1.2
157.12213	6.2
159.11792	0.7
161.36926	0.5
167.14261	0.7
173.13188	0.6
176.40407	0.4
275.20016	0.7
307.22122	0.5
319.21219	2.9
323.19485	9.0
324.19809	0.6
337.22177	2.0
341.20590	100.0
342.20923	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
66.31332	0.5
67.05494	1.6
69.07065	1.4
69.59530	1.8
71.04990	0.9
71.08641	0.6
79.08157	0.4
81.07053	2.0
83.08616	1.4
85.02908	3.1
91.05494	0.7
93.07008	0.4
95.08611	1.8
97.06544	0.7
98.22757	0.9
107.08603	1.0
109.10153	0.7
119.08543	0.5
121.10111	0.8
121.11477	0.5
135.11742	0.7
137.09700	0.6
152.27673	0.5
166.07988	0.5
178.80321	0.4
207.17519	1.4
211.70578	0.4
217.01410	0.5
217.08226	0.7
235.16887	1.1
244.35864	0.5
253.17996	0.7
281.48410	0.6
323.25928	1.9
340.39343	0.9
341.20630	100.0
341.26541	8.6
342.20996	4.6
342.37268	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2089
Annotation	bohemine
Peak:m/z	Relative Intensity
55.01857	0.7
55.05510	3.3
57.03425	0.7
62.05817	0.7
62.06089	7.5
63.06417	1.1
63.33912	0.4
67.05509	2.4
69.03428	0.8
69.07070	2.4
69.67509	1.9
79.05489	3.3
81.07046	2.1
83.08608	1.6
91.05457	2.7
93.07034	3.1
95.04965	1.1
95.08598	2.4
97.06547	0.6
97.10170	3.6
105.07018	2.5
107.08571	5.1
109.06538	0.8
109.10154	1.3
111.08085	0.7
117.07005	0.9
119.08568	1.6
121.10147	1.7
125.09634	3.1
129.06979	0.8
131.08542	1.3
133.10118	1.5
135.08054	1.1
135.11612	0.5
137.09608	0.6
143.08572	0.8
145.10100	1.9
147.11685	1.4
157.10175	0.5
196.70999	0.5
197.13506	1.0
203.12755	3.3
210.71075	0.6
214.14304	0.8
215.14622	1.1
216.98741	0.5
232.17044	0.5
254.63863	0.5
275.20071	3.1
289.21564	1.1
323.19659	2.7
323.27664	3.7
341.20850	100.0
341.28885	3.4
342.21066	7.4
342.33505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01863	6.4
55.05516	6.5
57.07078	5.4
62.06096	1.2
65.46111	0.9
67.05517	8.2
69.07059	4.1
71.08625	1.9
71.24317	1.1
71.33945	1.1
79.05498	5.5
81.07063	28.1
83.04976	3.6
83.08611	3.9
85.02896	3.1
85.06548	2.6
91.05481	4.0
93.07050	7.2
95.04990	2.5
95.08630	6.9
97.06523	1.3
98.23076	1.1
105.07029	3.9
107.08596	5.2
109.06520	9.0
109.10168	2.6
111.04448	14.2
111.08066	1.3
114.91300	1.0
116.10715	1.4
117.07035	1.5
119.08569	5.5
121.06571	1.1
121.10172	5.8
122.71309	1.0
123.08094	2.9
123.11737	1.2
125.05985	5.2
131.08557	3.5
133.10126	4.8
135.08034	2.8
135.11688	4.7
137.05981	100.0
137.13295	2.0
138.06306	2.8
140.73685	1.1
143.08528	1.3
145.10075	2.1
147.08040	1.1
147.11713	6.1
149.09631	3.0
149.13264	1.4
151.07536	2.3
151.11195	1.7
157.10081	1.9
159.11693	1.6
161.09593	5.3
161.13335	1.3
163.11153	2.4
165.09119	2.7
173.13292	1.4
175.11192	5.1
179.10687	2.0
181.12186	1.2
189.12860	1.3
193.12256	2.5
203.18021	2.9
206.69557	1.3
213.16342	2.3
223.14783	1.5
231.17487	6.6
249.18536	7.7
273.18271	1.2
275.20074	2.0
277.18002	90.8
278.18280	3.8
283.26190	2.3
286.31238	1.3
291.19467	2.7
295.19080	15.3
309.20740	2.0
323.22174	2.9
341.20648	38.8
342.20651	2.0
342.24231	2.3
342.33563	1.7
342.37302	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66872	0.7
57.03433	14.4
57.07074	13.6
59.04974	1.0
61.02923	2.2
64.42989	0.8
67.05515	1.2
69.03419	4.4
70.70780	0.8
70.71136	0.9
71.04980	4.8
71.51929	0.8
73.52949	0.8
81.03426	1.2
81.07072	1.3
85.02903	12.5
85.06536	16.2
95.04961	3.3
97.02882	2.8
99.08100	3.8
101.05984	4.1
103.07573	100.0
104.07919	1.3
109.06501	2.5
113.06010	5.2
116.87700	0.8
117.09122	19.2
127.03915	1.6
127.07548	18.5
131.07042	3.2
139.39619	0.8
145.04942	1.8
145.08585	7.5
163.09642	47.1
179.03357	1.9
180.03769	2.5
195.11200	0.9
225.02226	0.9
273.85434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05508	6.3
57.03460	1.5
64.04853	1.5
65.03929	1.9
67.05504	10.8
69.03440	5.8
69.07071	4.5
69.16479	8.6
70.02939	1.8
70.06615	1.4
71.04982	2.7
75.73549	1.5
79.05499	10.4
81.03420	3.4
81.07047	9.4
83.04980	2.5
83.08610	2.2
84.04492	1.5
84.08182	2.5
85.02918	3.9
86.06072	34.3
86.09721	3.8
87.04482	3.3
91.05492	24.4
93.03429	2.8
93.07019	6.7
95.04979	6.3
95.08621	6.3
96.04483	2.4
97.02905	3.7
97.06560	4.1
97.10171	1.9
98.06062	2.6
103.05512	3.2
105.07037	12.9
107.04956	5.5
107.08601	3.2
108.04507	2.9
108.08074	1.6
109.02897	10.8
109.06516	3.0
110.06066	1.8
111.04455	5.3
111.08096	1.6
113.06085	1.5
115.05464	2.2
117.07010	7.5
119.08593	15.9
120.08118	3.6
121.06478	3.7
121.10118	1.8
122.06025	11.8
123.04446	14.5
123.08064	2.0
125.05910	2.3
128.06224	3.7
129.07007	3.0
131.04913	3.2
131.08571	2.9
132.08145	2.2
133.06512	4.5
133.10132	20.5
134.06032	1.9
135.04396	18.2
136.07571	3.2
137.05957	3.0
143.08560	11.4
145.05005	1.7
145.06483	3.0
146.06038	1.5
147.04469	2.0
148.07597	5.7
149.05998	3.9
149.08339	3.8
150.09122	2.5
151.11234	1.6
160.07616	1.4
160.08810	1.5
161.09616	27.4
162.09109	2.4
163.07549	2.3
164.07077	10.0
171.08058	14.6
176.07072	6.3
176.10710	1.5
178.08658	5.8
178.12238	1.8
179.10698	4.7
188.10733	3.2
189.09128	20.3
190.08632	13.1
190.12265	4.0
193.12253	81.0
194.12610	2.6
202.12314	3.2
206.11792	2.4
210.12782	1.9
214.18030	4.3
218.11836	2.2
218.15329	7.9
221.11623	3.1
225.11296	3.3
228.13844	5.0
236.12865	5.0
246.14899	97.3
247.15215	3.8
256.13318	19.8
264.15945	29.3
265.08640	2.3
274.14389	38.5
275.14737	2.1
292.15445	100.0
293.15823	5.9
306.17065	3.5
310.16479	53.1
311.16779	3.0
322.25287	1.5
324.17984	2.7
325.10522	1.8
342.13406	1.8
342.19180	3.7
342.24005	6.3
343.15616	1.7
343.24710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05519	8.0
57.03428	1.7
57.07074	13.1
58.06583	3.2
59.04994	1.1
61.02916	2.4
67.05493	2.7
68.05021	1.2
69.03429	6.7
69.07057	3.2
69.72089	3.3
70.06590	19.4
72.08147	4.9
79.05485	3.1
80.05027	1.0
81.03384	4.7
81.07051	4.8
83.04964	1.2
83.08623	5.1
84.04506	2.4
85.02903	19.5
86.09695	16.5
89.06027	33.5
91.03959	1.1
91.05466	3.0
93.07043	2.3
95.04947	2.8
95.06104	1.5
95.08582	1.7
97.02883	4.3
97.06509	1.2
98.06062	2.7
98.97589	1.4
99.04408	1.7
101.09648	15.0
105.07060	1.6
107.04942	2.3
107.07068	36.0
107.08586	1.8
109.02841	1.4
109.10157	1.0
111.05564	2.8
112.05901	1.2
113.07130	1.8
114.05511	1.3
116.07066	2.1
117.06966	1.4
119.08591	2.0
120.08121	1.1
121.10070	1.5
127.03899	3.1
131.08617	1.0
132.10199	8.5
133.10164	1.0
134.08139	1.7
137.05931	2.1
138.09203	1.2
145.04955	3.3
145.10089	1.8
156.10165	1.6
161.05969	1.4
163.13287	100.0
164.13644	3.7
168.03833	0.9
173.09605	1.8
180.06552	1.1
181.04955	2.1
181.12242	1.3
183.11258	3.6
183.14928	4.4
191.06955	1.0
193.12250	1.5
196.09563	1.0
205.06435	1.4
211.14421	3.2
214.70682	1.2
221.05840	1.5
222.06682	1.0
222.11156	1.2
229.15483	2.8
237.09114	2.1
265.08569	5.4
267.06671	1.5
282.08762	2.4
282.17108	1.9
284.09271	2.4
286.14291	2.0
297.11102	3.8
298.10995	1.3
310.08286	2.3
314.13840	6.8
315.87128	1.0
319.10699	1.3
325.16147	2.9
342.13281	10.4
342.19022	19.0
342.22998	3.0
343.12091	7.3
343.17230	31.0
343.22424	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.2
55.05511	92.2
57.03427	33.1
57.69612	12.8
63.91647	11.4
67.05513	100.0
69.03452	21.4
69.07069	49.6
69.51957	23.7
69.52357	33.4
71.04993	49.9
74.44508	11.6
77.46383	10.9
77.85173	11.4
79.05498	61.9
81.03418	16.6
81.07066	80.8
83.04979	26.4
83.08598	22.1
85.02888	16.0
87.04510	12.3
91.05460	60.6
93.07059	68.5
95.04981	45.5
95.08599	65.7
97.06522	72.1
97.10183	33.8
105.07034	77.2
105.07627	12.7
107.04946	19.2
107.08580	60.8
109.06484	34.4
109.10169	46.6
111.08071	18.6
113.05998	15.1
116.98584	12.8
117.07005	15.3
119.07763	12.3
119.08601	49.2
121.02893	23.8
121.06535	36.1
121.10144	56.7
123.08072	34.1
123.20583	11.4
125.05997	48.4
125.09640	27.2
129.07022	14.7
131.08568	34.2
131.55414	11.1
133.10126	50.0
135.08063	36.5
145.10159	20.9
147.08066	23.1
147.11684	18.9
149.09625	37.7
153.09071	14.8
159.08069	57.3
162.66199	13.4
163.07536	22.0
167.10680	22.3
171.11676	16.9
173.11766	11.9
189.11209	41.1
193.12195	28.8
204.81216	13.2
209.05817	13.0
211.13255	15.0
219.13913	19.2
221.11757	43.7
227.16364	21.0
233.15361	31.1
234.96295	12.1
237.14902	19.0
271.16983	23.1
275.19885	18.7
289.17966	95.2
307.18936	43.5
307.22458	20.3
342.17343	32.3
342.24432	26.7
343.22476	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.6
55.01876	12.9
55.05507	77.7
57.03428	25.0
59.05022	5.8
61.26977	5.1
65.03928	9.5
67.05508	65.6
69.03426	24.0
69.07073	39.1
69.75782	19.1
71.04999	21.4
73.02940	6.9
75.66389	5.6
79.05494	52.5
81.03414	25.3
81.07054	46.3
81.53529	4.9
83.04996	6.6
83.08623	37.4
85.02906	9.5
85.06535	11.5
91.05483	42.9
93.07069	27.9
95.01332	22.7
95.04958	45.1
95.08617	15.3
97.02930	6.7
97.06519	33.2
97.10168	42.5
98.23475	9.1
98.97572	11.2
105.03427	7.0
105.07018	33.7
107.04949	32.5
107.08588	36.9
109.02860	11.1
109.06524	20.6
109.10119	14.4
111.04436	9.1
113.06020	12.4
115.07587	13.7
117.07023	19.2
119.08567	36.2
121.02862	32.9
121.06512	32.7
121.10132	7.2
123.04429	8.7
123.08071	11.5
125.09646	41.4
129.07027	16.6
131.08597	13.6
131.46831	6.0
133.06470	8.9
133.10144	15.3
135.08061	29.4
135.10721	5.8
137.09644	9.9
138.82680	5.9
145.06464	6.8
145.10146	6.2
147.08043	14.7
147.11690	21.5
149.09625	11.4
153.09126	7.6
157.10101	14.2
159.08038	100.0
161.09653	8.6
163.07568	12.3
171.10091	5.5
173.09605	7.3
175.11142	7.9
178.47958	5.3
185.09654	16.2
189.11157	39.6
193.12297	21.3
211.13301	15.2
219.13850	8.4
221.11702	38.3
225.12373	5.8
233.15425	9.1
237.14996	12.9
239.12810	24.9
245.15343	6.1
247.13380	17.7
253.15855	16.1
271.16928	20.7
289.17990	60.3
307.19000	14.4
342.13593	7.2
342.17343	6.7
343.22278	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62402	2.5
55.01860	10.1
55.05511	16.6
57.03447	12.6
57.07079	3.7
67.05157	4.4
67.05498	66.5
69.03442	5.3
69.07065	23.1
69.21522	5.5
69.21931	8.7
71.04977	8.5
79.05492	30.8
81.03406	9.7
81.07050	49.8
83.04976	15.2
83.08593	6.9
85.06535	9.3
87.05488	2.1
87.49414	2.2
91.05473	45.8
93.07039	27.1
95.04958	12.1
95.08590	13.8
97.06525	100.0
97.10181	3.9
97.71716	2.6
98.06814	2.4
99.04461	4.3
99.08042	3.2
105.07024	42.9
107.04954	5.7
107.08585	43.4
109.06474	12.5
109.10148	73.2
109.10888	4.6
111.08083	12.0
113.06004	7.9
117.07004	5.0
119.08562	7.7
121.06494	8.8
121.10150	3.1
123.08041	3.4
123.11712	7.7
125.09622	3.9
127.07533	3.2
131.08566	7.3
133.10118	79.8
134.10429	3.5
135.08035	7.9
135.11748	3.2
141.28493	2.5
143.08598	2.8
143.47235	2.7
144.11551	3.0
147.11661	3.8
149.09697	2.7
151.11174	44.9
157.10146	2.7
159.08084	6.5
159.11699	3.0
161.09671	2.5
163.07489	2.6
163.11009	2.9
167.10690	2.8
169.12225	7.9
173.09492	2.9
173.11859	2.9
174.10365	5.6
193.12349	3.4
200.06972	4.4
205.12262	25.5
206.19182	3.0
215.12790	4.3
221.11758	4.2
252.86403	2.7
261.18427	6.1
271.16882	6.2
289.17987	19.1
307.18936	6.6
325.19974	6.3
342.24249	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
54.19120	2.8
55.01859	9.5
55.05513	35.4
57.03435	5.9
57.07066	8.4
58.06608	2.9
67.05508	36.5
69.07063	10.0
69.56570	12.4
69.87639	2.7
71.04972	7.0
71.08623	3.3
71.13429	2.6
79.05489	22.5
81.03427	9.4
81.07056	32.1
83.04978	100.0
83.08636	11.5
84.08935	4.7
90.42703	2.6
91.05473	17.9
93.07036	23.4
95.04977	12.0
95.08589	26.0
97.06516	21.8
97.10169	9.8
98.97617	4.2
105.07023	20.1
107.04951	7.1
107.08553	16.5
109.06555	4.1
109.10158	21.8
111.04477	4.4
111.08091	5.6
115.99031	2.6
117.07024	6.6
119.08581	10.7
120.08928	3.6
121.06506	4.8
121.10139	9.4
123.04308	3.3
123.08095	18.5
123.11762	3.3
124.08398	3.5
125.06014	6.2
125.09633	9.1
126.09974	5.6
127.07504	2.8
129.07001	4.4
131.08565	5.2
133.10130	26.6
135.08086	4.1
135.11662	5.2
137.09607	7.3
143.08604	3.9
145.06462	2.8
145.10139	6.3
147.11699	6.1
149.09607	4.4
151.11186	12.3
153.09158	4.1
159.08032	3.5
161.09677	3.1
163.11142	5.2
169.10141	3.9
171.11668	4.1
173.09789	3.6
175.11156	3.3
189.11220	7.1
189.94017	3.0
190.11530	5.1
193.12299	5.0
207.13730	6.1
211.13376	4.7
240.23198	40.6
261.18552	6.6
271.16888	5.0
274.18790	4.7
289.17938	28.6
292.19839	15.4
307.19113	12.6
342.24838	5.3
342.28702	14.2
343.11813	6.6
343.22385	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13819	0.6
55.01868	0.7
55.05502	1.8
57.03417	1.3
65.03923	0.7
67.05497	3.7
69.03426	0.9
69.07066	5.9
70.06577	1.1
75.46607	0.6
79.05495	4.2
81.03412	2.2
81.07053	7.0
83.04966	1.3
83.08618	0.8
85.02918	1.8
86.09702	46.0
87.10033	0.8
91.05477	6.4
93.07047	21.3
95.04961	2.6
95.08599	1.9
95.54249	0.6
97.06538	0.8
105.07042	7.5
107.08605	5.5
107.09291	1.0
109.05841	1.1
109.06521	11.9
109.10165	2.8
115.66033	0.7
117.06999	0.7
119.08573	2.5
121.10174	0.7
122.03680	0.8
123.08086	1.0
128.10719	5.9
131.08591	1.2
132.10196	13.7
133.10120	17.7
134.10410	1.1
135.08023	1.3
136.23479	0.7
137.05986	6.5
138.06342	2.3
145.04936	1.0
147.11687	4.6
149.09657	1.1
151.11179	100.0
152.11504	3.4
156.10182	2.8
163.07430	1.1
165.12692	0.9
175.07536	1.2
175.11089	1.1
176.07901	1.3
189.11237	0.9
192.09033	0.9
193.12253	2.0
205.04953	0.7
206.15878	0.7
220.08290	1.1
222.06720	0.8
222.14922	0.9
252.11119	0.8
260.20041	1.9
265.08661	1.9
278.21133	15.7
279.21692	0.7
283.08533	0.8
289.17947	0.8
297.11218	2.0
298.11023	0.8
301.10077	0.9
306.20718	6.0
310.11694	0.7
314.14001	1.6
324.13129	0.7
324.18304	1.1
324.21674	15.8
325.10370	0.9
325.22031	1.3
342.13531	3.4
359.64334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2428
Annotation	Malouetamide
Peak:m/z	Relative Intensity
50.44873	0.5
53.41042	0.6
54.59637	0.6
55.05514	4.2
56.74217	0.7
57.07073	2.8
62.06081	1.0
67.05495	4.7
69.03416	1.2
69.07063	2.8
69.16635	2.2
69.17040	2.0
71.08644	1.2
72.08149	1.1
73.85188	0.6
79.05097	0.6
79.05480	4.0
80.05013	12.6
81.07061	7.2
83.04957	1.2
83.08621	1.4
87.04439	0.8
91.05492	3.9
91.38134	0.6
93.07034	8.3
94.06579	1.5
94.71954	0.6
95.04974	1.7
95.08608	6.7
96.08123	4.1
105.03369	0.7
105.04492	0.6
105.07010	5.3
106.06551	1.9
107.08581	7.8
109.06545	1.1
109.10154	3.8
110.09708	0.7
112.07594	0.9
117.07044	1.1
118.06535	0.9
119.08575	3.0
120.08118	1.6
121.10130	7.0
123.08035	1.3
123.11694	1.2
124.03956	1.7
124.07587	100.0
125.07916	2.4
129.07051	1.0
131.08548	2.0
132.08084	0.9
133.10147	1.9
134.09676	1.0
135.08035	1.7
135.11699	1.8
137.09555	1.0
138.09131	6.1
139.00267	0.8
144.08073	0.8
145.10118	2.1
146.09608	1.2
147.08023	1.1
147.11691	2.1
148.11201	1.1
149.09584	1.7
149.13162	1.2
150.05560	1.0
150.09149	5.6
152.07091	0.9
152.10748	1.0
157.01331	1.5
160.07571	1.8
161.08380	0.8
161.09636	1.1
162.09076	3.6
164.10692	5.1
174.09178	1.5
174.18518	1.2
176.10635	3.4
177.16339	0.8
178.12276	11.4
179.12961	1.4
180.10278	0.9
180.13943	0.9
188.10736	2.2
190.12256	3.5
192.10184	1.7
192.13855	3.6
202.12247	0.9
203.12787	0.7
204.10147	6.8
204.13812	1.8
205.10979	1.1
206.11754	4.5
212.10593	0.8
214.12230	1.0
216.13837	0.7
218.11766	1.5
218.15411	1.6
220.16966	1.5
230.15224	0.7
230.24847	1.0
239.14417	0.7
244.17020	1.5
245.17670	0.7
254.15433	0.9
256.16977	0.8
258.14740	1.1
258.18619	0.7
260.16312	0.8
260.20096	3.5
286.21545	1.7
297.20868	1.2
314.24741	5.1
324.23187	5.9
324.36218	1.1
342.24246	90.7
342.37280	37.2
343.11887	1.1
343.24518	5.5
343.37317	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	25.6
57.03427	10.5
67.05498	93.5
67.58253	4.6
69.03410	6.7
69.07062	51.7
69.13314	28.4
69.13721	10.1
79.05487	63.5
80.05843	5.1
81.03419	13.7
81.07055	100.0
83.04996	7.7
83.08610	15.0
85.06539	7.9
91.05469	64.7
93.07041	42.5
95.04961	26.3
95.08604	57.8
97.06513	25.4
105.07017	62.7
107.04952	9.0
107.08568	35.9
109.06509	10.8
109.10158	29.2
117.07027	21.9
119.08578	35.2
121.06511	5.3
121.10133	25.3
123.08041	8.4
123.11703	7.8
124.42460	4.9
125.09605	7.5
131.08568	21.3
133.10136	50.1
135.11670	27.9
137.09641	13.2
143.08459	8.6
145.10106	22.3
147.11693	34.0
149.09621	9.5
149.13255	6.4
157.10118	10.7
159.11707	21.9
161.13240	12.1
163.11130	12.5
171.11740	7.6
173.11841	6.9
173.13255	11.5
177.12695	7.0
181.12231	15.5
185.13269	9.9
195.13820	14.9
203.10721	5.9
213.14812	8.9
232.46513	5.6
235.16907	7.5
272.59641	5.5
275.20111	35.5
289.21582	13.2
307.22797	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.3
55.05509	51.0
55.05779	2.8
57.03442	3.4
60.04530	5.0
67.05488	19.0
69.03426	7.4
69.07058	17.6
69.25616	9.9
71.04977	2.0
79.05492	35.9
79.49217	1.9
81.07053	23.7
83.04990	5.7
83.08613	29.2
91.05479	12.5
93.07031	19.3
95.04990	2.0
95.08614	8.1
97.06541	4.7
97.10166	68.9
105.07017	18.1
107.08586	86.4
108.08936	3.3
109.06518	6.3
109.10150	7.1
111.08060	4.3
117.07024	3.8
119.08591	10.7
121.10172	5.5
121.67307	2.0
123.11710	3.4
125.09629	78.1
131.08585	4.9
133.10127	10.4
135.08047	15.0
145.10135	8.7
147.11726	15.1
149.09686	4.1
153.09106	14.8
157.12218	5.8
159.11684	5.5
161.13237	3.8
163.11217	3.7
165.12729	5.9
171.10193	3.4
173.13362	4.0
181.12273	2.8
183.82391	2.0
185.11852	2.5
185.13329	2.5
203.12779	100.0
204.13319	2.2
217.65244	2.0
239.17947	2.7
257.18915	14.4
275.20032	50.3
289.21582	15.1
307.22638	15.3
354.35941	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	45.2
55.05298	2.0
55.05508	22.7
57.03428	4.9
57.07071	11.4
62.19477	2.0
65.27139	2.2
67.05495	26.6
67.56319	1.9
69.07078	12.6
69.28065	9.8
71.08637	15.6
79.05490	19.3
81.03400	4.1
81.07054	28.3
83.04974	4.9
83.08606	5.3
83.93665	2.1
85.06527	3.1
91.05469	12.8
93.07066	16.1
95.04952	8.9
95.08602	16.8
97.06557	2.7
97.10143	9.3
99.08084	7.4
101.46399	2.2
105.07021	11.3
107.04967	5.5
107.08588	13.9
109.06496	3.3
109.10159	17.1
117.07017	5.8
119.08572	9.5
121.06511	4.1
121.10106	6.4
123.08091	6.8
123.11723	3.2
125.09621	62.7
131.08545	6.2
133.10103	16.1
135.08028	5.4
135.11717	3.0
137.09630	7.5
145.10109	5.6
147.11690	2.7
149.09621	6.9
151.11192	26.1
159.11664	2.5
163.11172	4.9
167.10638	3.0
171.11670	2.4
173.09608	2.4
174.18520	4.0
177.12698	10.3
181.12276	2.6
183.13800	6.5
189.81694	2.3
200.10385	2.3
230.24672	3.5
239.17970	2.2
240.23424	2.6
247.20518	4.0
257.18970	9.7
275.20032	32.6
276.20224	2.3
293.21078	8.7
307.22693	18.1
319.02023	2.4
342.37262	100.0
343.37677	6.1
352.53143	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05511	19.9
56.05021	3.5
57.03432	2.4
57.07069	2.8
58.06591	2.4
60.04523	100.0
61.04840	1.2
62.06085	3.3
67.05504	19.3
69.03407	2.0
69.07064	14.5
70.06577	2.8
71.04989	3.2
71.08627	2.3
72.04515	1.5
79.05496	12.0
80.05013	1.3
81.07056	19.8
83.04970	3.6
83.08616	12.2
85.06559	2.3
86.06100	1.6
88.07626	65.4
89.07971	1.4
90.05544	1.7
91.05478	10.0
93.07034	13.3
94.06582	2.0
95.04964	6.5
95.08600	18.9
97.06528	3.9
97.10165	17.8
103.07487	1.3
103.48599	1.2
105.07027	13.3
107.08588	24.9
107.48137	1.5
109.06514	3.5
109.10152	5.6
112.48510	1.5
117.07036	3.6
119.08571	8.6
121.06461	3.1
121.10140	5.1
123.08042	2.4
125.09625	13.1
131.08542	2.8
133.06378	1.9
133.10112	8.4
135.08018	6.0
135.11711	3.8
137.09586	1.7
143.85294	1.5
145.10117	9.6
147.11664	4.3
149.09627	2.9
151.07559	3.9
153.09058	3.6
159.11731	3.0
161.13237	2.3
163.11208	8.5
165.08994	1.9
173.13255	1.5
179.51703	1.3
185.13277	1.7
203.12762	18.6
203.14417	1.6
221.15346	4.4
240.23228	2.4
250.25342	2.9
257.18912	2.9
262.25336	2.0
268.76129	1.4
275.19968	11.5
280.26328	18.6
289.21652	4.3
298.27368	25.4
301.18094	1.6
306.28156	2.1
307.22537	2.1
319.19489	2.2
324.28595	6.0
342.21252	10.6
342.30002	38.7
343.18671	10.4
343.22604	15.8
343.30368	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3007
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
55.05515	7.7
57.07088	7.1
57.53488	0.8
60.04519	2.1
60.20060	0.9
61.38863	0.8
62.06095	100.0
63.06421	1.2
67.05505	13.9
69.07066	9.4
71.08624	5.7
71.46537	0.9
79.05506	5.0
81.07059	16.4
83.08621	7.1
85.06543	0.9
85.10184	1.2
85.46204	0.8
88.07650	1.1
89.08688	0.8
91.05476	4.2
93.07047	6.1
95.04984	2.0
95.08613	13.1
97.06540	1.8
97.10181	3.5
98.97675	0.9
104.90762	0.9
105.03444	1.2
105.07050	3.9
107.08595	3.7
108.94824	0.8
109.10178	5.5
119.08593	3.0
121.10168	2.5
123.11732	2.2
133.10149	3.8
135.08093	1.0
135.11731	1.7
141.12756	1.3
145.10146	1.0
147.11720	1.8
149.13251	1.4
159.11668	0.9
161.13148	1.5
166.06207	0.8
197.08153	0.9
197.73431	1.0
198.14925	3.4
200.16473	3.1
216.15976	1.9
217.67975	0.8
233.06145	1.1
240.23250	1.7
245.22710	2.2
261.95224	0.8
263.23856	1.7
292.22916	0.9
306.27957	1.7
316.32309	1.0
324.29001	37.4
325.27234	1.5
325.29675	1.2
342.12860	0.9
342.26093	0.9
342.30008	14.0
342.37204	2.2
343.22580	4.6
343.25970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.1
55.05505	0.7
57.07077	7.7
58.06604	1.2
60.04519	0.3
62.06089	2.9
67.05488	0.4
69.07058	0.6
69.31159	0.5
71.08629	4.2
72.08153	1.6
74.06081	0.2
74.06759	0.1
79.05480	0.3
81.07046	0.6
83.08605	0.4
85.10196	0.8
88.07609	0.2
91.05485	0.4
93.07035	0.5
95.04966	0.2
95.08607	0.4
98.23421	0.3
105.07015	0.4
107.08597	0.3
109.10145	0.2
117.07036	0.2
119.08591	0.3
121.10168	0.2
131.08542	0.2
133.10075	0.2
145.10149	0.2
150.13573	0.2
156.17453	1.7
157.43597	0.1
166.56323	0.1
170.19049	0.2
171.11641	0.2
172.16998	0.1
174.18524	4.4
184.20622	0.2
202.21637	1.0
207.13641	0.1
208.96614	0.1
212.23694	1.4
221.37431	0.2
230.24797	4.0
275.19931	0.2
298.34650	0.2
324.36246	1.3
342.37283	100.0
343.22482	0.2
343.37628	8.2
343.99457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86226	1.3
55.01871	3.4
57.03438	1.7
61.02914	1.8
61.44643	1.2
69.03439	2.6
70.06581	8.1
71.20148	1.6
72.08147	1.9
73.02900	2.8
79.05508	6.9
81.03422	3.5
84.08134	1.6
85.02913	11.7
86.09731	1.7
91.03976	1.7
91.05473	2.8
94.04177	1.9
95.04984	2.0
95.66616	1.1
97.02878	3.2
98.97564	3.7
99.03308	1.0
103.05472	5.3
103.07582	1.7
105.07026	55.8
106.07361	2.9
108.35643	1.1
109.02923	1.5
115.03909	1.3
115.05466	1.4
116.07092	2.7
116.98623	1.7
119.04935	6.3
121.74876	1.2
122.03647	5.5
127.03917	3.5
129.10223	1.9
131.04984	1.3
133.06487	100.0
134.06822	3.9
134.99677	1.3
137.05972	83.3
138.06300	2.7
145.04932	2.6
146.08075	3.5
147.04410	36.9
147.08466	1.3
163.03899	2.0
163.07518	1.8
165.05482	20.2
165.07680	2.2
165.09103	45.3
166.09439	1.9
181.04968	11.4
200.52199	1.2
278.96735	1.7
343.13528	9.4
343.30243	1.2
344.07703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2239
Annotation	E-64d
Peak:m/z	Relative Intensity
50.68267	0.5
55.01859	0.9
55.05508	2.6
57.03440	1.5
59.04994	2.4
64.23792	0.6
67.05502	4.2
69.03421	0.8
69.07062	1.5
70.30868	1.4
70.31214	0.7
71.05008	0.9
74.51900	0.6
76.50610	0.6
78.63732	0.5
79.05492	3.0
81.03416	2.5
81.07060	3.1
83.04971	2.6
83.08608	1.3
84.05283	0.6
91.05478	2.1
93.07038	3.4
94.07364	0.6
95.04950	1.8
95.08624	3.3
97.06516	1.4
98.23000	1.5
105.03384	0.6
105.07026	1.8
107.04974	0.8
107.08587	2.2
109.06470	0.8
109.10139	1.7
110.10497	0.8
119.08547	1.2
121.06498	2.2
121.10104	1.5
122.06803	1.4
123.08080	0.9
131.08574	1.6
133.10135	1.8
134.10440	0.8
135.08081	0.7
135.11694	0.7
135.72334	0.6
139.11198	0.7
143.08519	0.6
145.10141	1.2
147.11546	0.8
149.09660	0.7
163.07468	0.7
211.13316	0.8
220.29073	0.6
239.16406	0.7
278.96878	0.7
290.18433	1.0
291.19540	1.7
328.11746	1.2
343.22421	100.0
344.14996	2.1
344.22571	5.2
344.26230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01861	6.9
55.05499	12.0
57.03424	6.1
57.07062	6.4
57.37351	2.7
59.04988	5.0
67.05514	14.4
69.03403	6.6
69.07044	8.2
70.06582	4.8
71.04977	16.7
71.08638	3.0
79.05486	14.6
81.07053	21.9
83.04964	7.1
83.08614	6.1
85.06525	3.7
88.07613	2.8
91.05474	24.1
93.07040	51.9
95.04965	37.0
95.08018	4.4
95.08596	48.6
97.06528	13.2
105.03352	4.2
105.07019	49.8
107.08591	37.2
107.54054	2.9
109.06502	13.5
109.10131	5.8
111.04502	3.1
115.05418	3.3
117.06997	20.2
119.08555	24.9
121.06488	8.5
121.10164	14.4
122.86555	2.8
123.08074	15.1
125.09594	3.2
128.06221	3.8
129.06987	3.9
130.07773	10.1
131.08539	9.0
133.10112	12.6
135.08047	14.0
135.11676	12.0
135.22778	2.7
137.05974	3.0
142.07791	3.6
143.08548	6.5
145.10115	57.6
146.10397	3.7
147.08026	8.6
147.11671	5.0
149.09673	4.4
151.07530	35.4
153.08969	4.3
157.10091	5.8
159.11653	5.7
161.09674	3.1
163.07574	7.9
163.11160	41.4
165.09085	10.1
171.11705	3.6
173.09576	5.8
173.13191	3.7
175.11089	6.1
177.09187	3.8
189.12700	7.6
203.14313	6.6
207.13837	4.3
209.15340	5.4
221.15353	20.8
233.13312	2.8
233.15437	3.7
240.23251	8.8
307.20761	3.5
325.21552	6.5
327.14987	3.1
343.22617	100.0
344.14978	8.8
344.22781	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Longithorol D
Peak:m/z	Relative Intensity
55.05510	14.6
57.01301	3.6
57.03438	7.6
57.07067	9.4
58.25550	3.4
59.04992	5.7
59.95375	3.5
60.04519	11.1
67.05506	17.2
69.03405	5.6
69.07056	9.1
71.04989	13.6
71.08615	5.6
79.05476	13.4
80.05695	3.4
81.03416	4.0
81.07060	17.4
83.04987	4.7
85.06532	4.5
88.07622	5.7
88.86980	4.2
91.03958	3.8
91.05466	22.1
93.07041	41.1
94.07355	3.5
95.04971	44.3
95.08597	52.4
97.06519	10.0
105.03420	6.0
105.07020	47.9
107.08590	35.9
109.06514	13.2
109.10178	6.1
109.52522	3.9
117.07009	25.1
119.08539	20.1
121.06516	8.1
121.10146	13.5
123.08050	18.9
130.07768	8.8
131.08574	5.4
133.06383	3.8
133.10136	13.9
135.08044	18.4
135.11694	12.2
142.07822	4.6
143.08556	7.9
145.10126	45.4
147.08028	7.7
147.11671	4.9
151.07533	33.0
157.10097	6.3
159.11688	7.2
163.07520	4.1
163.11172	47.4
165.09036	9.9
171.11717	4.9
185.50859	4.9
189.12743	8.2
203.14220	5.3
209.15416	5.0
221.15331	28.6
233.15302	4.0
240.23174	26.8
252.11526	4.0
263.16458	5.8
286.19391	5.0
295.22537	4.3
299.27777	4.8
325.21606	10.5
328.11862	6.9
343.11938	7.2
343.22632	100.0
343.26120	4.8
343.30084	6.1
344.15015	10.8
344.22955	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
54.07041	1.3
55.01854	5.4
55.05513	10.6
57.03418	6.4
57.07063	5.6
59.04993	4.3
62.03820	1.3
67.05222	1.6
67.05509	18.5
69.03416	5.7
69.07050	5.9
71.04993	15.6
79.05495	13.1
81.07061	18.7
83.04966	5.3
83.08626	3.0
85.06528	4.2
91.05483	17.6
93.07046	46.5
94.07350	1.5
95.04971	37.2
95.08605	57.0
96.05293	1.9
96.63826	1.5
97.06540	12.8
103.05450	2.4
105.03378	3.1
105.06358	3.2
105.07030	48.0
106.07315	2.2
107.08586	40.2
109.06532	11.8
109.10141	6.8
111.08030	2.4
115.05452	3.4
117.07021	18.4
119.08574	23.0
121.06506	12.2
121.10163	15.8
122.07331	2.3
123.08068	19.4
123.11719	1.7
125.06046	2.0
125.09583	1.5
128.06239	1.7
129.06955	3.8
130.07773	8.8
131.08589	6.8
133.06476	4.1
133.10141	15.9
135.04369	2.0
135.08046	19.8
135.11688	14.5
137.09586	5.4
142.07684	2.0
143.08553	6.5
145.10117	65.2
146.10440	3.3
147.07997	8.2
147.11644	4.5
149.09589	6.2
151.06352	2.3
151.07542	40.6
152.07838	2.3
153.09102	2.9
155.08542	2.3
156.09312	2.2
157.10144	7.5
159.08046	2.8
159.11746	7.8
161.09599	5.2
161.13234	5.7
163.07542	4.4
163.11177	54.1
165.09128	13.8
169.10100	3.1
171.11696	5.4
173.09599	4.1
173.13278	4.1
175.11093	3.8
177.09084	5.3
179.06992	2.7
179.10660	2.3
181.10069	2.3
181.12146	2.7
183.11658	4.3
184.98666	1.6
185.09552	1.4
185.13289	2.0
187.11153	5.3
189.12776	8.5
191.14323	2.4
197.13268	3.2
203.14265	6.2
207.10066	2.0
207.13802	3.8
209.13362	1.8
209.15334	4.8
215.14301	3.2
221.15347	27.8
223.14841	2.3
225.16267	2.2
227.14189	1.7
233.15363	4.0
240.23184	4.6
241.15771	1.8
243.13820	1.5
243.17453	1.7
245.15492	2.0
263.16397	7.2
269.15427	1.6
286.19238	4.5
287.16525	3.1
287.19925	3.1
325.21619	9.3
328.11752	4.8
329.12399	2.5
330.72208	1.7
343.22595	100.0
344.14960	9.7
344.22842	6.3
344.31842	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03944	3.3
55.01875	5.2
55.05520	19.1
55.62980	2.6
57.03439	8.2
57.07082	7.4
60.04526	10.4
65.55013	2.4
67.05515	27.8
69.03445	6.6
69.07063	9.5
71.05003	21.9
71.08648	3.6
71.45934	2.7
79.05490	21.2
81.03426	4.8
81.07064	26.4
83.04992	4.4
83.08618	4.4
85.06565	6.2
88.07639	7.0
91.05476	29.6
93.07050	57.1
95.04973	46.9
95.08612	70.6
97.06551	13.4
97.10178	4.8
98.10505	4.1
99.08115	2.9
103.05453	4.2
105.03449	4.6
105.07034	67.3
107.04968	4.8
107.08595	52.9
108.08932	6.8
109.06529	9.9
109.10159	6.1
115.05412	4.6
117.07030	21.1
119.08597	23.3
121.06536	12.0
121.10138	16.9
123.08092	19.6
123.08978	2.7
125.09655	4.2
129.07018	5.3
130.07796	12.6
131.08589	7.6
133.06526	4.6
133.10156	11.7
135.08076	22.0
135.11732	9.2
137.09653	4.9
143.08629	8.6
145.10120	60.4
146.10487	6.3
147.08086	12.4
147.11737	4.4
149.09641	5.8
151.07535	41.6
153.09082	4.9
157.01323	2.7
157.10106	8.9
159.11699	6.5
161.09633	6.4
161.13264	4.7
163.07523	4.4
163.11185	58.7
163.12445	4.9
165.09129	12.9
169.10197	3.6
171.11739	5.4
173.09663	6.0
173.13293	6.3
175.11200	4.2
177.09126	6.0
178.66287	2.9
179.07080	6.2
183.11694	2.6
187.11218	3.8
189.12750	7.9
193.12299	25.7
198.16623	2.7
199.07741	3.2
203.12694	4.2
203.14357	10.0
204.13164	4.7
207.13782	4.2
221.15422	26.8
221.84105	2.7
234.67722	2.5
240.23204	17.1
241.15845	4.2
263.16470	8.0
269.15521	4.5
276.20435	4.0
291.19620	6.0
299.27667	3.7
317.39297	3.0
325.21640	11.5
343.11993	6.6
343.18744	70.7
343.22668	100.0
343.25864	3.7
343.30475	7.1
344.14841	9.4
344.18799	6.3
344.22775	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42036	0.5
55.01857	0.8
55.05510	2.9
55.21832	0.5
56.05023	0.7
57.03429	0.9
58.06599	24.8
60.04528	0.7
65.03900	0.6
67.05493	1.4
68.05006	0.7
69.03423	1.4
69.07075	3.0
70.06585	1.6
71.04995	1.6
71.45298	0.6
72.04542	0.6
72.08154	8.8
75.10999	0.5
77.03889	0.6
79.05483	2.3
79.25501	0.6
80.04993	0.8
81.03415	2.1
81.07050	2.8
83.04983	1.2
83.08598	1.5
84.04490	1.4
84.08147	0.7
85.02919	3.3
86.06048	0.9
86.09718	2.8
87.04462	0.6
88.03994	0.7
89.06029	15.9
91.05479	7.2
93.07040	2.1
95.04942	1.2
95.08617	1.3
97.02892	1.1
97.06538	2.0
97.07645	0.8
97.10142	0.5
98.06055	2.8
100.07619	0.9
105.07023	1.4
107.07058	0.6
107.08575	0.8
108.96979	0.5
109.06496	0.9
114.10296	3.6
115.05468	1.2
115.08693	2.0
116.07088	2.2
118.08649	21.1
119.04943	1.1
119.08556	1.4
121.06454	0.5
122.03658	0.9
123.08044	0.6
125.09626	0.8
126.09166	3.5
127.03935	0.7
129.10229	0.5
131.04974	0.8
131.08505	1.0
132.10197	0.7
133.06444	1.0
133.08604	9.2
133.10161	0.8
134.08130	4.0
135.08075	0.7
137.05978	13.1
137.09552	1.0
140.07138	0.6
140.08159	1.3
143.04912	3.7
147.04405	100.0
147.11716	0.7
148.04771	2.7
149.05983	0.6
151.07532	2.7
157.10098	0.7
163.07538	1.3
165.05475	30.4
166.05862	0.7
167.15428	7.7
168.13837	19.5
172.09695	3.1
175.07524	4.5
177.11201	2.8
180.08690	1.1
185.16512	1.3
188.09230	1.1
192.10260	0.9
193.12277	1.6
194.11580	0.6
195.13795	0.9
210.16029	10.1
211.13274	3.0
213.14719	1.2
227.18649	64.3
228.19086	1.1
299.12881	2.2
300.17941	1.3
300.55539	0.5
301.14554	0.7
326.19562	6.4
326.26703	0.8
327.20068	6.4
344.14185	1.5
344.18567	17.0
344.20712	8.2
344.27487	1.0
345.11435	5.9
345.14777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34779	0.3
53.03925	0.4
55.01847	0.4
55.05489	0.4
56.05002	0.4
57.03434	1.8
57.56553	0.3
58.06596	2.2
60.04498	0.3
61.02900	1.6
62.30740	0.4
67.05486	1.0
68.05004	0.6
69.03122	0.4
69.03428	3.9
69.07047	0.5
70.06586	4.4
71.02481	0.4
71.04977	0.7
72.08130	1.2
74.06071	0.7
74.10918	0.4
79.05484	0.8
81.03395	2.3
81.07024	1.1
83.04936	0.4
83.08591	0.6
83.50726	0.3
84.04494	0.7
84.08120	1.2
85.02900	17.0
86.09701	4.0
87.04426	1.0
89.05623	0.3
89.06028	4.0
91.03912	0.8
91.05480	4.8
93.07017	1.2
93.83416	0.3
95.04968	1.7
95.08569	0.5
97.02880	3.5
98.06054	0.9
99.04418	0.6
104.99290	0.5
107.04977	0.5
109.02873	1.9
116.07056	2.7
119.04933	16.0
120.05308	0.4
120.06570	0.4
121.06480	0.4
122.03685	0.4
123.04433	2.5
123.33357	0.3
124.07553	0.8
125.09629	0.4
127.03903	3.7
129.10211	1.0
133.08572	2.5
134.08119	1.6
137.05927	1.9
137.09575	0.5
139.26497	0.3
141.10133	0.5
143.04881	0.5
145.04970	3.2
147.04396	100.0
148.04729	3.6
155.11728	0.5
165.05464	53.9
166.05829	1.9
172.09787	0.4
175.07550	0.4
177.11198	0.4
180.08679	1.6
182.08153	0.7
188.09177	0.4
189.12338	0.4
193.12314	0.7
200.13937	0.8
201.12354	0.7
211.13141	0.6
221.85292	0.3
228.13458	0.6
234.18457	0.5
250.18135	0.5
262.18134	1.6
264.19559	0.5
290.17642	0.7
308.18613	1.3
321.65588	0.3
326.19638	1.6
327.20187	1.7
344.13998	2.0
344.20740	20.9
345.11548	1.4
345.15146	1.3
345.21243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.54885	0.4
56.05033	0.6
57.03424	1.9
58.06601	0.6
61.02913	1.7
65.03922	0.6
67.05492	0.8
68.05001	0.6
69.03436	4.6
69.07050	0.7
69.78006	1.5
70.06604	3.7
71.05003	0.7
72.08159	0.8
73.02904	0.6
73.06546	0.6
74.06092	0.5
79.05521	0.5
80.05013	0.5
81.03421	2.2
81.07049	1.1
83.08641	0.5
84.04501	0.5
84.08134	1.3
85.02407	0.9
85.02911	17.7
86.09724	4.4
87.04481	0.7
89.06046	2.4
91.03926	0.7
91.05482	5.3
93.07047	1.0
95.04950	1.8
95.08603	0.6
96.04456	0.5
97.02899	3.9
97.06528	0.6
97.10153	0.5
98.06039	1.3
98.23403	0.6
99.04451	1.1
99.34394	0.5
101.04053	0.5
103.07571	0.7
107.08606	0.6
108.08123	0.5
109.02879	1.7
116.07106	2.7
119.04948	17.0
119.08604	0.5
120.08098	0.9
123.04409	2.9
124.07584	1.1
127.03925	3.5
129.10263	1.0
133.08632	2.0
135.08087	0.7
137.06001	1.2
138.94099	0.5
145.04961	4.0
147.04414	100.0
148.04759	3.5
163.06142	0.6
165.05484	57.9
165.59018	0.4
166.05807	2.2
166.08600	0.5
177.11298	0.5
180.08746	2.4
182.08133	1.4
193.12398	0.6
200.13914	0.7
214.14360	0.6
232.16968	0.5
249.07559	0.5
250.18155	0.6
262.18045	1.2
264.19550	0.9
280.18961	0.6
308.18546	1.7
326.19589	1.6
327.20273	1.2
344.13660	1.9
344.20718	26.1
345.11493	0.8
345.15311	1.1
345.20981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
58.06544	4.7
67.05470	0.2
71.06632	0.4
75.24871	0.3
79.05446	0.5
86.09659	0.6
91.05430	0.6
94.35021	0.2
97.06488	0.2
115.05367	0.6
120.05656	0.7
122.03676	1.3
123.04354	0.5
128.67834	0.3
137.05971	14.9
138.05405	0.7
139.06213	1.1
143.04861	1.1
143.43047	0.3
145.06476	0.3
146.07191	0.2
150.05434	0.4
151.07477	0.5
152.07060	2.9
159.04437	0.2
160.05151	0.3
161.05954	0.4
162.05461	1.3
163.06299	1.2
164.07027	0.4
165.05441	0.4
165.06883	0.2
166.06171	0.9
167.06956	0.9
173.05984	0.5
175.07591	1.2
176.07013	2.5
179.06975	0.6
180.07697	0.6
181.08607	3.2
182.07054	0.3
191.06960	0.7
195.10194	0.6
203.06931	0.4
205.08662	0.5
207.08102	0.3
221.05870	0.5
225.09145	0.4
234.06464	0.3
235.07437	0.3
240.10197	0.3
250.08490	0.4
253.08557	0.5
254.07968	0.3
265.08493	0.3
266.08566	0.2
266.11765	0.3
267.09067	0.5
268.09604	1.4
277.08469	0.4
278.08075	0.4
282.07828	0.5
282.11102	0.3
283.11938	0.7
285.11215	0.3
286.10846	0.3
294.11267	0.3
295.08401	3.3
296.09146	4.7
297.09814	0.4
298.07019	1.0
298.10803	0.4
298.14236	0.5
299.07846	1.6
299.12704	0.4
300.08588	0.4
305.27924	0.3
309.11176	0.4
310.10739	1.8
311.11551	3.2
312.12170	0.7
313.09412	6.9
313.12985	0.4
314.10181	5.1
315.10703	0.5
326.13922	0.7
328.11774	44.9
329.12521	28.9
330.12723	1.7
344.14911	100.0
344.18463	4.3
345.15277	7.3
345.19025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.186
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
58.06603	77.9
59.06960	0.8
60.04514	0.5
68.05010	0.4
69.47452	1.5
72.04536	0.5
74.15667	0.4
79.05479	0.5
81.07047	0.5
86.06078	0.6
91.05493	1.9
93.07030	0.6
95.04994	0.9
95.08618	0.5
96.04525	0.6
98.22684	0.9
99.04441	0.4
109.06528	0.6
114.05521	1.6
115.05456	3.3
117.07004	0.5
119.04927	1.3
122.03645	1.2
132.06624	0.6
137.05986	24.6
138.06252	0.7
143.04926	12.8
143.06041	0.7
145.06442	0.8
147.04359	0.5
151.07550	6.7
157.92995	0.5
160.05188	1.4
162.06725	0.7
174.09236	0.5
175.07542	13.0
175.09853	0.6
177.09077	0.9
179.08540	0.8
181.09880	0.4
190.83691	0.4
192.10168	2.7
193.10890	1.5
207.08025	1.1
209.09618	1.0
235.07536	1.6
237.08966	0.8
239.10599	1.2
241.12173	0.9
252.07692	0.4
267.10010	1.7
269.11575	1.3
299.12793	7.1
301.14270	3.4
324.69196	0.5
344.18378	100.0
345.18759	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01869	0.5
55.05521	1.4
56.05045	0.9
57.03445	2.0
58.06605	54.3
60.04527	1.9
67.05508	2.9
68.05037	4.1
69.03441	1.1
69.07063	1.8
70.06596	0.8
71.00438	0.4
71.05013	0.4
72.04519	0.6
72.08153	0.5
73.02917	0.6
74.06096	0.9
79.05489	1.9
80.05016	2.0
81.03425	1.9
81.07059	3.7
82.06589	0.5
83.05025	0.7
83.08629	0.8
84.04505	2.1
84.08173	0.4
85.02918	1.0
85.06541	0.4
86.09713	2.8
88.03970	0.4
89.06042	0.4
91.05480	3.0
93.07055	2.8
94.06586	0.5
95.04975	2.0
95.08644	1.9
96.04504	3.1
96.08170	0.6
97.06513	0.8
97.10168	0.6
98.06078	1.5
99.08115	0.4
100.03958	0.3
103.05441	0.5
105.07063	1.3
106.06564	0.6
107.04967	1.2
107.08610	2.0
109.06554	0.7
109.10174	0.6
110.06044	1.4
111.08052	0.4
112.07586	0.4
114.05541	11.5
115.05455	2.1
116.07135	0.7
117.07069	0.7
118.06566	0.4
118.08676	1.4
119.04967	1.1
119.08606	1.0
121.06507	0.5
121.10185	1.3
122.03696	0.8
122.06035	0.8
124.07609	0.5
126.09158	0.4
130.08586	0.4
131.08614	0.9
132.06581	5.4
132.10219	1.6
133.10144	0.4
134.08185	1.4
135.11723	0.5
137.05983	17.3
138.06349	0.7
140.07101	1.0
143.04926	9.3
145.06555	0.7
147.04471	0.6
147.08063	0.5
149.06029	1.0
149.13298	1.3
151.07587	4.0
159.11737	0.6
160.05170	0.8
161.05974	0.5
163.11278	0.4
167.15450	0.4
168.13898	1.5
172.09708	0.6
175.07552	8.9
177.09209	0.9
178.08769	0.5
179.08530	0.5
192.10199	2.0
193.10968	1.0
193.12445	0.7
194.11786	0.5
195.13899	0.6
204.06673	0.5
207.08043	0.9
209.09625	0.5
211.13348	1.4
224.08548	0.4
227.18663	3.9
234.18605	0.6
235.07559	0.7
237.09120	0.4
239.10667	1.0
241.12286	1.0
244.16933	2.0
244.88937	0.4
254.17525	3.2
262.18051	2.7
267.10205	1.3
269.11707	0.7
280.19138	1.2
284.10358	0.4
299.12839	4.5
300.18106	1.5
301.14355	2.5
302.66779	0.4
308.18652	0.6
312.15887	0.7
326.19580	2.6
344.20670	100.0
345.21017	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2222
Annotation	Polysignine
Peak:m/z	Relative Intensity
54.38444	0.5
55.01873	0.6
55.05509	3.1
55.56386	0.5
57.03434	1.0
59.36563	0.5
65.03900	0.7
67.05501	6.1
68.01529	0.6
69.03426	0.8
69.07050	2.6
70.06594	0.6
71.04968	0.8
79.05491	8.7
80.05022	0.7
81.03397	1.0
81.07050	4.2
83.04966	1.8
83.08603	1.4
87.25378	0.5
91.05471	7.6
93.07037	6.7
94.06543	0.7
95.04955	1.9
95.07345	0.6
95.08611	4.7
97.06471	0.6
97.10141	1.6
103.05463	10.1
105.07026	5.0
107.04940	5.8
107.08591	4.3
108.08111	15.7
109.06509	1.4
109.08891	1.3
109.10131	2.7
110.09648	1.2
111.08053	0.7
117.07008	1.6
119.08595	2.8
120.08094	3.7
121.06449	1.0
121.10104	2.1
122.09662	10.1
123.08062	0.8
123.10404	2.3
124.11253	0.7
125.09612	0.7
129.07062	0.5
130.06535	4.5
131.04927	5.7
131.08534	1.2
132.08093	2.8
133.10107	1.7
134.09625	0.6
135.08018	0.8
135.11679	3.3
136.11185	4.3
137.09595	3.3
141.06998	0.6
145.10106	1.1
147.08040	0.6
148.11198	0.8
149.09621	1.0
150.12761	23.3
151.13571	6.5
152.14346	4.8
157.10098	0.6
163.11119	0.6
170.09521	0.5
172.11197	0.9
173.11740	1.4
179.14365	0.7
180.10208	5.0
186.12808	0.6
189.11179	1.1
200.14342	1.0
201.99115	0.5
212.14310	0.6
226.15813	1.0
228.10242	1.3
246.11365	0.9
246.14795	1.5
254.18976	3.8
256.13397	0.8
262.98264	0.6
263.20068	0.8
270.14841	2.7
273.18430	1.5
291.19492	1.6
298.18018	1.4
300.19562	100.0
301.19931	7.6
302.21143	4.0
311.46646	0.5
323.20444	0.6
344.15005	2.6
344.22174	72.1
345.22586	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.0
57.03435	34.0
67.05507	54.6
69.07068	38.6
71.04978	15.7
79.05493	72.9
81.03397	12.7
81.07062	78.8
83.04984	17.0
83.08601	13.3
85.02927	9.5
86.50448	7.9
89.06040	12.8
91.05474	46.6
93.07043	76.2
95.04978	33.0
95.08618	43.7
97.06556	44.8
97.10152	11.2
99.08105	28.6
101.27211	7.4
104.99262	100.0
105.07045	41.1
107.04923	17.1
107.08598	49.4
109.06506	22.5
109.10161	22.6
113.05999	8.7
114.76818	7.0
115.07582	13.6
116.32056	7.8
117.07011	27.2
119.08589	38.5
121.10145	38.1
123.08066	21.5
125.09621	8.9
129.06990	14.4
131.08583	25.9
133.10114	37.1
135.08075	24.3
135.11702	10.0
143.08574	9.5
145.10124	31.2
147.11719	12.8
149.09605	16.5
157.10194	18.0
159.11728	14.0
161.09680	10.0
163.11218	10.8
168.95407	8.8
171.11760	10.8
175.11226	13.2
185.13284	9.7
193.12277	13.6
211.13326	25.0
217.15852	9.9
239.16440	8.4
245.18982	12.2
255.06526	12.2
260.12640	8.4
262.98169	63.1
263.20084	27.3
273.18469	54.2
291.19473	66.4
298.56247	8.5
309.20639	14.9
313.07068	52.0
328.11844	34.4
329.12677	11.9
344.14871	68.7
344.18628	17.1
344.22406	14.4
344.26270	9.6
345.16019	9.5
364.20270	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.05499	4.6
57.03425	7.6
60.77957	1.7
66.13789	1.6
67.05503	18.5
69.03433	1.5
69.07071	27.0
70.81009	1.6
71.05000	9.7
79.05493	24.9
81.03402	10.8
81.06621	2.4
81.07053	20.6
83.04978	3.2
83.08620	4.0
85.06519	2.0
91.05464	7.4
93.07027	14.1
95.04969	15.7
95.08589	11.5
97.06527	100.0
97.10152	2.3
98.06854	1.6
99.08081	4.0
105.07044	8.0
107.04960	3.4
107.08593	7.5
109.06503	4.9
115.07562	23.2
117.07005	6.1
119.08569	5.8
121.06516	3.8
121.10133	5.7
123.08103	2.4
129.07033	2.1
131.08556	8.6
133.10114	5.6
135.08008	2.6
135.11690	3.8
143.08592	2.5
145.10114	4.7
149.13284	4.1
159.11714	4.7
160.59373	1.6
161.09615	2.3
175.06236	2.0
177.12738	5.7
195.13811	6.8
223.13266	2.4
273.18414	2.7
291.19580	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98512	3.5
51.31705	3.5
53.03945	4.2
55.01865	7.9
55.05517	22.4
57.03428	17.4
67.05509	61.9
69.07071	100.0
70.73871	4.3
70.74210	4.0
71.04984	36.0
73.02908	5.7
79.05486	54.3
81.03423	36.0
81.07059	64.2
83.04992	14.6
83.08638	7.8
85.06571	5.9
91.05477	39.4
93.07045	48.5
95.04961	47.3
95.08612	34.1
97.06529	97.9
97.10181	5.2
99.08097	11.4
104.99266	3.9
105.07037	33.0
107.04966	9.5
107.08587	29.1
109.06506	27.7
109.10186	11.2
111.08109	5.3
113.05971	6.9
113.55803	4.3
115.07566	65.3
117.07021	18.3
119.08560	26.8
121.06472	10.0
121.10153	22.6
123.08128	7.2
125.09635	8.4
129.06973	7.0
131.08559	19.7
133.06557	5.5
133.10095	21.9
135.08057	10.3
135.11716	13.7
138.84966	3.9
143.08510	5.0
145.10153	17.5
146.07930	3.7
147.08070	6.3
147.11653	9.0
149.09584	12.1
149.13249	9.2
157.10132	7.8
159.11702	15.9
161.09731	3.9
171.11699	4.6
173.13275	5.9
175.11133	6.8
177.12759	10.1
181.82068	3.7
193.12262	7.9
195.13817	7.3
219.13789	5.5
221.15417	4.5
223.13249	11.9
255.17282	4.8
257.26956	4.1
261.62088	4.3
262.98279	6.8
273.18527	7.2
291.19568	21.2
328.11798	8.0
344.14767	12.7
345.09711	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01861	5.4
55.05509	54.9
56.96566	5.5
57.03430	36.3
64.12543	4.5
67.05505	72.9
69.03436	7.0
69.07076	28.5
71.04989	8.1
79.05493	88.9
80.05840	6.1
81.03416	38.0
81.07049	56.6
82.97144	4.6
83.04991	16.6
83.08624	29.3
91.05467	48.3
93.07040	100.0
95.04967	28.3
95.08060	6.6
95.08596	42.2
97.06545	8.7
97.10159	40.7
98.97517	4.8
104.96967	4.8
104.99261	8.9
105.07031	32.5
107.04932	13.3
107.08596	43.7
109.06513	34.9
109.10146	27.4
112.03931	4.4
117.07018	12.0
119.08586	32.0
121.06542	5.2
121.10133	52.4
121.46620	4.6
123.08048	23.3
123.11711	7.4
125.09631	44.7
131.08559	22.0
133.10123	17.7
135.08037	16.4
137.09596	28.9
139.11191	12.5
143.08594	7.9
145.10097	12.6
147.08041	10.6
147.11655	6.1
149.09685	12.2
153.09120	5.8
157.10066	8.0
159.11670	9.5
167.10689	16.2
173.11714	5.3
173.13290	9.7
175.11160	4.5
185.11766	32.7
189.11223	46.6
201.12787	5.0
217.15872	7.0
219.13806	23.8
221.15320	6.7
223.13304	11.4
225.22485	5.1
233.15489	5.7
235.16870	19.4
237.14774	40.4
254.14063	5.9
262.98172	9.9
263.20007	6.2
273.18481	22.2
291.19559	34.6
309.20575	10.4
328.11813	20.3
329.12527	10.1
344.14883	43.8
344.21185	8.9
344.25171	9.2
351.26816	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22722	0.3
55.01871	0.7
55.05511	3.4
56.05024	0.8
57.03432	1.0
58.06599	13.7
59.07365	0.9
59.19693	0.4
60.04508	0.6
60.05643	0.4
67.05509	2.1
68.05005	1.5
69.03419	1.7
69.07059	4.4
69.62574	0.5
69.62923	1.3
70.06592	2.1
71.04983	1.4
72.04510	0.6
72.08152	10.8
74.06050	0.4
79.05495	2.2
80.05033	0.7
81.03419	2.7
81.07061	2.6
82.06565	0.6
83.04972	2.2
83.08619	2.7
84.04478	1.2
84.08132	0.6
85.02898	1.7
85.06499	0.5
86.06065	1.1
86.09708	2.3
86.10145	0.4
87.04459	1.1
88.03994	0.7
89.06030	13.6
91.05489	4.5
93.07043	2.1
94.06560	0.5
95.04965	1.5
95.08588	1.1
96.04493	1.0
96.08160	0.6
96.53641	0.4
97.02859	0.7
97.06532	3.3
97.07628	1.1
97.10152	1.4
98.06055	3.8
98.09669	0.6
100.07607	0.6
103.05482	0.8
105.07034	1.6
107.08573	1.6
109.06504	0.9
109.10163	0.4
111.08072	0.4
112.07607	0.5
114.05521	0.8
114.09132	0.9
114.10290	6.2
115.05461	0.7
115.08664	2.5
116.07081	1.5
118.08649	32.7
119.04971	0.7
119.08578	0.8
121.06506	0.7
121.10086	1.1
122.03661	0.6
122.06030	0.4
123.08095	0.7
124.07629	0.5
125.09600	1.0
126.09156	4.8
127.03904	0.6
127.23252	0.4
129.06975	0.8
131.04942	0.6
131.08580	0.6
131.12886	0.4
132.06531	0.6
132.10214	0.6
133.06467	1.1
133.08609	8.0
133.09653	0.6
133.10112	1.0
134.04475	0.8
134.08134	4.6
135.08029	0.6
135.11656	0.4
137.05960	9.1
137.09584	0.5
140.07124	0.5
140.08170	1.5
143.04901	1.5
147.04401	46.0
147.11662	0.9
148.04709	2.7
149.05968	0.6
151.07512	1.5
157.10129	0.5
160.09749	0.5
163.07558	1.6
165.04066	0.7
165.05472	14.7
166.05823	0.7
167.15425	10.5
168.13834	27.8
169.14203	1.0
172.03961	0.5
172.09683	4.8
175.07524	2.3
175.11191	0.5
177.11217	3.0
180.08638	0.7
185.16420	0.8
188.09167	1.3
192.10187	0.7
193.12244	2.8
195.13860	0.6
204.06618	0.4
210.16043	13.3
211.13272	3.8
211.16335	0.6
213.14804	0.9
227.18652	100.0
228.18999	4.7
242.17525	1.1
254.13902	0.6
254.17149	0.4
259.11710	0.5
282.13315	0.4
283.17676	0.5
299.12927	0.8
300.14590	0.6
300.17999	1.4
301.12479	0.7
308.18423	0.9
316.20966	0.6
326.15771	0.7
326.19598	8.1
327.16376	0.7
327.20093	6.6
344.18109	8.3
344.20715	13.2
344.26074	0.8
344.27090	0.9
344.65820	0.4
345.11395	8.5
345.15329	0.8
345.18466	0.9
345.21658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
55.05506	48.4
55.05777	2.3
56.53883	2.3
57.07073	3.5
59.05006	2.2
60.04514	7.3
66.40577	1.9
67.05499	27.1
69.03419	6.6
69.07069	10.8
71.04992	2.4
71.08624	63.2
78.13386	1.6
79.05485	22.1
81.03421	3.7
81.07042	24.3
83.04994	2.9
83.08620	26.0
86.89101	1.6
88.07617	4.3
91.05495	6.8
93.07041	22.5
95.04970	4.3
95.08607	9.7
97.06488	1.9
97.10162	72.0
99.08082	53.3
104.99274	4.7
105.07025	8.0
107.04955	2.9
107.08593	33.5
109.06493	2.1
109.10143	9.9
111.08085	5.0
115.82124	2.0
117.07012	2.3
119.08582	7.2
121.10148	7.4
125.08704	3.5
125.09618	61.6
126.09965	2.2
126.12769	4.0
131.08568	2.2
133.10133	4.6
135.08047	16.3
135.11697	7.4
139.07542	7.0
144.12389	1.9
145.10126	8.0
147.11650	3.3
149.13319	3.9
151.11169	18.2
153.09076	10.4
157.08601	3.6
157.12225	6.6
161.13222	10.5
163.11098	8.3
170.11777	2.9
171.10159	6.7
171.11656	2.3
175.14757	3.7
179.14336	5.4
193.15796	4.4
203.12766	100.0
204.13116	2.7
212.16533	2.7
225.18442	3.3
231.21095	2.4
241.19510	7.8
259.20569	13.7
262.98111	2.6
277.21609	64.8
278.21964	3.8
291.23178	21.8
309.24173	32.5
328.86627	1.9
344.14954	4.3
344.25876	1.8
344.31616	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.3
55.05505	55.6
57.03423	11.3
57.07069	15.5
57.72748	6.3
59.52355	5.7
64.99110	6.0
67.05504	75.6
69.07061	42.4
69.36333	21.0
71.08642	47.4
79.05489	62.5
80.90089	6.3
81.07050	100.0
83.04969	23.2
83.08614	29.8
88.07634	17.1
91.05469	39.4
93.07034	82.2
95.04974	21.5
95.08605	55.1
97.06528	25.4
97.10177	8.6
98.23483	9.2
99.08099	39.6
104.99276	23.0
105.07037	31.7
107.08596	44.0
109.06475	9.6
109.10179	33.7
117.06964	8.2
119.08572	30.8
121.10160	36.7
123.11690	11.8
125.09592	8.2
129.06895	7.9
131.08591	22.2
133.10194	32.2
135.11703	23.4
137.09630	9.2
139.07542	13.5
139.11191	38.4
145.10106	8.7
147.11670	24.0
149.13257	23.5
151.11159	16.2
157.10184	8.0
159.11649	11.2
161.13274	27.2
165.12724	8.8
171.11700	11.9
173.11821	8.3
175.14807	13.7
177.12724	14.7
179.14305	10.0
185.13214	8.5
193.12311	15.6
195.13857	18.6
231.21098	7.6
241.19591	17.0
259.20621	23.9
262.98181	26.8
277.21655	76.9
291.23099	19.3
309.24130	21.7
328.11496	7.8
343.37653	26.7
344.31558	14.2
344.38062	87.5
345.20117	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82111	4.6
55.01858	6.0
55.05511	35.9
57.03432	8.8
57.07062	11.2
59.04979	5.7
60.04560	5.4
61.86898	4.6
64.45822	4.1
67.05502	100.0
69.07058	25.3
70.74066	7.6
71.04988	11.2
71.08620	13.8
79.05477	33.2
81.03388	5.5
81.07050	58.7
83.04971	10.5
83.08612	19.5
88.07644	6.3
91.05480	29.8
93.07041	59.0
95.04958	14.7
95.08603	42.5
97.06528	12.1
97.10162	6.9
98.23454	5.3
99.08103	14.4
104.99249	14.0
105.07020	19.1
107.08588	25.5
109.10149	51.7
111.08095	10.7
113.22253	4.4
117.06961	5.3
119.08571	15.1
121.10124	15.8
123.11723	9.1
125.09612	5.2
131.08568	6.5
133.10132	14.1
135.11696	18.7
137.09558	9.2
139.11131	25.1
145.10117	5.1
147.11696	13.2
149.13219	24.4
155.10658	17.6
157.10159	6.1
159.11696	9.9
161.13310	6.1
163.80406	4.9
165.07825	4.8
165.12787	6.3
173.11739	50.5
175.14778	7.2
177.12666	6.8
187.13301	14.3
195.13806	20.2
207.13791	7.4
225.14832	5.6
241.19476	5.1
259.20456	6.0
262.98148	12.4
277.21671	36.5
279.23978	4.5
291.23264	8.3
309.24246	11.3
328.11713	12.2
329.12549	6.8
343.38013	5.1
344.14954	15.1
344.25681	11.5
344.38168	29.3
345.20239	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.92481	3.0
55.01867	5.5
55.05509	36.7
57.03429	4.7
57.07068	14.6
60.04512	7.7
62.42116	3.2
62.75035	3.1
67.05505	38.5
69.03410	4.6
69.07060	29.7
70.06591	24.3
71.04981	5.4
71.08619	26.6
74.69254	3.1
79.05486	33.9
81.07056	60.3
83.04981	11.5
83.08614	22.3
85.06531	4.1
88.07628	39.0
89.06045	4.0
89.83657	3.1
91.05453	21.5
93.07045	43.8
94.07457	3.6
95.04970	9.9
95.08598	33.9
97.06540	8.2
97.10161	23.5
98.23464	5.5
99.08079	19.8
100.11230	4.1
103.92210	3.0
104.99271	17.0
105.07036	19.0
106.08659	12.3
107.08604	24.9
109.10153	17.3
111.08107	7.8
117.07037	7.9
119.08563	13.4
121.06528	5.1
121.10141	18.1
122.32652	3.6
123.08022	4.8
125.09624	24.1
131.08566	9.4
133.10121	14.8
135.08011	7.0
135.11705	14.5
139.11172	17.3
147.11696	7.4
149.13246	15.3
151.11185	6.7
153.09109	4.9
157.10080	4.1
159.11679	10.6
161.13246	10.1
165.12770	5.9
173.13313	4.2
175.14883	5.9
177.12701	5.5
179.14465	6.1
185.13126	3.8
189.12823	4.2
191.17920	3.7
195.13806	12.4
203.12720	29.2
217.19539	4.1
241.19582	4.6
249.22177	4.6
259.20636	8.9
262.98227	15.9
277.21588	49.4
278.21759	4.1
282.22760	3.1
283.26193	4.7
291.23178	13.5
309.24127	14.7
326.18353	3.1
326.33987	9.1
327.20074	4.5
328.11758	8.1
329.12469	5.7
344.15009	22.5
344.31528	11.3
344.35199	100.0
345.20337	52.9
345.24088	2.7
345.35477	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	Eupatorin
Peak:m/z	Relative Intensity
55.05505	1.1
58.06605	0.9
67.05514	2.5
68.93764	0.6
69.03426	1.2
69.07055	1.7
77.56197	0.6
79.05499	1.2
81.07073	3.3
83.08635	0.8
85.02914	0.9
85.06561	1.1
89.62508	0.6
91.05473	1.2
93.07055	1.7
93.42780	0.6
95.04983	0.8
95.08608	2.7
97.06538	1.7
97.10193	0.8
104.99303	0.8
105.07025	1.3
107.04930	1.8
107.08582	1.8
108.02096	6.3
109.06423	0.7
109.10166	1.2
119.08634	0.7
121.10162	1.0
123.11707	0.7
127.97213	0.5
131.04980	1.0
136.01567	3.7
137.05974	3.1
148.05188	12.7
148.06352	0.7
149.05959	5.6
151.03888	4.6
151.07565	0.8
153.12740	0.7
154.02574	3.3
162.05521	0.7
162.35968	0.6
185.05983	2.6
197.05887	0.9
200.20032	0.6
202.14516	0.6
213.05409	1.4
229.09637	0.9
241.04884	1.3
256.07272	3.5
269.04407	4.7
284.06763	37.8
285.07272	1.8
286.04712	1.4
287.05548	1.1
291.19525	0.7
297.03995	0.9
301.07047	1.1
312.06250	40.8
313.06680	1.8
315.04974	1.0
317.54425	0.8
329.06479	1.8
329.12158	4.7
330.07291	19.9
330.12830	2.2
331.07468	1.3
344.14676	0.9
345.09695	100.0
345.14740	13.3
346.09982	6.1
346.14929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
57.03412	0.9
58.06595	1.6
61.08142	0.5
67.05504	0.7
69.07063	1.2
69.28454	1.2
69.28867	2.1
70.06579	1.4
72.08150	16.8
74.16405	0.6
79.05484	1.1
81.07069	1.0
83.08620	0.7
86.09703	6.6
87.05602	1.7
88.04004	0.8
89.06020	10.0
89.85886	0.6
90.06351	3.9
91.05487	1.4
93.07043	0.9
95.08622	1.1
97.02887	0.9
97.06548	0.8
97.10188	0.7
97.10922	0.6
98.06055	0.7
98.22696	1.1
101.00880	1.3
107.04958	3.4
107.08602	1.0
114.05598	0.7
114.10303	1.1
116.07103	1.0
118.08636	4.9
119.01930	1.4
120.80746	0.6
127.08635	1.0
127.09561	0.7
129.10262	0.7
131.04924	0.6
132.10184	0.9
133.08580	4.9
134.08952	2.7
137.05965	4.3
139.68341	0.5
141.10220	0.9
143.01863	0.8
147.04407	2.5
147.11665	1.1
148.04749	3.3
149.06000	0.8
155.11813	1.0
157.40193	0.7
165.05533	1.1
166.05823	1.1
167.15471	1.9
168.13826	3.5
169.09727	1.5
169.14174	1.8
177.11266	1.2
178.11580	0.9
186.12402	2.2
187.10791	2.1
197.09401	0.6
200.13881	2.1
201.12294	1.5
210.15942	1.6
211.16299	1.6
212.09137	0.7
214.11771	0.9
215.10252	1.9
227.05331	1.1
227.18640	9.7
228.18987	6.6
229.11819	0.9
246.21646	0.6
247.12888	1.2
259.11508	1.7
271.04214	1.8
301.12558	14.8
302.12790	0.9
327.20062	2.3
328.20389	4.8
333.29257	0.7
345.11520	100.0
345.14844	5.0
345.20663	4.5
346.11887	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1161
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
53.03959	0.6
55.01882	0.5
55.05513	4.1
57.03420	0.9
67.05512	0.8
68.05026	0.5
69.03426	0.9
69.07062	2.5
70.02943	1.4
70.06584	1.8
71.04983	1.0
71.44300	0.6
72.04503	0.6
72.08155	35.4
79.05480	0.9
80.90295	0.6
81.03426	0.7
81.07070	0.7
82.06556	0.5
84.04496	0.7
84.08143	1.9
85.02906	3.2
85.04013	1.2
86.09706	32.0
87.05590	5.9
88.03995	1.4
91.05479	0.8
93.07050	0.6
95.05008	0.5
95.08598	0.8
96.08139	2.8
97.02888	1.1
97.06463	0.6
98.02403	4.4
99.09226	1.0
104.99273	1.3
105.07007	0.7
107.04946	1.7
107.08609	1.2
109.10142	1.0
110.02390	2.5
112.11281	0.8
113.10767	1.7
114.51008	0.6
115.05063	0.7
116.07058	0.9
118.08662	2.1
120.08065	0.6
121.02857	1.3
121.06490	2.2
121.10143	0.9
123.45100	0.5
124.07578	1.8
124.64191	0.5
127.03960	1.0
127.08665	4.5
129.10201	0.6
129.67453	0.6
132.10222	1.6
137.05971	2.1
137.09601	1.0
138.09152	2.6
141.10226	10.4
145.04979	1.5
149.05939	0.8
152.07053	1.7
155.11810	6.6
165.09137	1.0
166.08635	2.1
168.13918	0.6
169.09773	3.7
172.09692	0.5
173.04201	1.0
183.10048	1.7
183.11414	5.8
185.07867	0.7
186.12376	16.1
187.10750	0.7
197.09334	0.6
200.13943	23.3
201.12462	0.6
201.14288	1.0
211.10867	0.9
212.09181	1.2
214.11885	8.4
228.13417	9.3
229.11789	0.8
231.17015	2.1
241.15477	1.5
246.14601	1.4
259.11295	0.8
262.98340	0.8
265.15567	1.2
269.15048	1.0
282.18219	0.6
284.18646	0.7
286.17599	0.7
300.18814	0.6
301.12622	3.0
302.19632	1.5
309.18747	0.9
311.16077	2.3
323.98853	0.6
327.20251	1.3
328.18762	1.3
345.11554	100.0
345.14893	5.4
345.20807	9.5
346.11920	5.1
346.22107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35652	0.2
55.01855	0.3
58.06598	5.4
59.06921	0.9
64.68665	0.2
65.03925	0.5
69.50853	0.6
72.08141	0.8
78.41712	0.2
79.05477	1.0
81.07041	0.9
86.09707	0.5
90.82658	0.2
91.05466	1.2
93.06994	0.3
94.04186	2.6
94.06553	0.4
95.04976	0.7
95.08614	0.3
96.04414	0.3
98.22691	0.3
99.08079	0.7
103.05461	0.7
105.55603	0.3
107.04946	0.8
109.06500	1.0
111.04414	0.3
114.10265	0.7
115.05475	1.2
115.08647	0.4
116.05772	0.3
118.08660	3.1
119.04916	0.4
121.06517	0.6
122.03638	7.8
122.06070	0.4
123.04443	0.3
125.05933	0.4
126.75763	0.2
128.10710	0.3
131.04938	1.3
133.02895	0.3
137.05969	100.0
138.06305	4.6
140.07047	0.5
143.04948	2.0
143.34363	0.2
144.05241	0.6
146.03618	0.4
147.04399	0.6
148.05145	0.3
149.06032	1.2
151.03906	0.6
151.07570	0.8
152.07951	0.4
153.07063	0.2
158.99399	0.2
159.04401	0.9
160.05202	0.4
161.05971	2.6
163.07523	0.7
165.05574	0.4
165.06993	1.1
165.97498	0.2
166.07722	0.3
167.06927	0.3
167.08572	0.4
169.17003	0.7
170.15390	2.1
172.03915	0.8
175.07529	3.4
176.04680	0.3
176.07866	0.7
177.05473	0.4
177.07045	0.3
178.07736	0.7
179.08521	1.3
181.06461	0.9
181.08633	0.3
182.07227	0.5
187.14410	0.9
189.06976	0.6
190.06256	0.4
191.07001	3.5
192.07385	0.3
193.06487	1.0
194.07237	0.6
195.08002	0.7
196.08772	0.3
197.05957	0.3
203.06996	1.6
204.06612	1.3
205.06477	1.1
206.07169	0.5
207.08058	1.6
208.08463	0.3
209.05959	0.4
210.06680	1.2
211.07510	0.5
212.17619	1.2
212.66306	0.3
213.09193	0.3
219.08133	0.2
221.05972	1.9
221.08040	0.6
222.06645	0.7
223.07549	0.9
224.08299	0.6
225.09093	1.7
229.20229	10.7
233.06020	0.9
234.06664	1.2
235.07428	1.1
236.08098	0.3
237.09117	1.6
238.06253	1.0
239.10623	1.2
241.08595	0.3
247.07491	0.3
249.09055	1.2
250.06163	0.5
251.06931	0.7
252.07860	0.7
253.08563	2.8
254.08940	0.2
255.06488	0.4
262.06219	0.6
263.07108	0.4
265.08609	2.7
266.09155	0.7
266.48611	0.3
267.10126	3.3
270.08896	0.7
277.08545	2.9
279.06543	0.6
282.08957	0.5
283.09592	0.5
285.11203	4.2
294.08868	1.5
295.09604	1.0
296.08789	0.3
297.11432	2.4
299.12823	0.9
300.13004	0.8
309.11124	3.9
310.11609	0.3
311.11078	0.4
314.09833	0.5
315.10309	0.4
327.12195	1.2
328.11908	0.4
329.12125	4.9
330.12854	3.1
345.15125	13.3
345.19025	8.7
346.15479	0.5
346.19064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.0
69.03403	0.5
70.06587	1.7
72.08157	2.4
77.72275	0.4
84.08175	0.5
85.02908	1.8
86.09718	0.7
86.13938	0.4
91.05482	0.5
97.02857	0.4
104.99271	3.1
107.04956	2.0
119.04966	0.9
123.40100	0.4
129.10281	0.5
137.06000	3.4
138.12190	0.4
143.11847	0.7
147.04428	3.6
148.04753	3.3
165.05499	2.1
165.08899	0.8
166.05827	1.9
183.09944	1.1
203.05350	1.4
204.36839	0.4
237.07559	0.6
249.07327	0.6
252.70943	0.4
262.98123	2.0
281.22879	0.4
285.09418	1.6
287.11072	1.4
327.10541	7.7
327.14108	1.5
345.11472	18.3
345.15213	100.0
346.08701	0.7
346.12238	0.4
346.15579	4.5
360.15964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
58.06599	1.2
65.35876	0.4
67.01724	0.5
67.05489	1.1
69.03415	0.9
70.53347	0.5
70.73682	0.7
79.05470	2.3
79.53083	0.5
81.03402	1.0
81.07051	1.4
91.05465	3.0
93.07090	1.1
94.04196	4.1
95.04972	1.2
95.08579	0.6
103.04779	0.6
103.05465	10.0
105.07023	5.9
107.04935	2.7
107.08589	0.8
109.06505	1.7
109.10202	0.8
115.05458	1.0
117.07044	1.1
119.04918	0.7
121.06513	2.9
122.03634	9.3
123.08064	0.6
128.06216	0.7
129.06995	1.0
131.04929	9.7
133.06482	17.8
135.08054	7.2
136.06139	1.0
137.05971	100.0
137.09563	1.7
138.06337	3.1
143.04872	0.7
145.06471	3.5
146.08217	0.8
147.08055	1.2
149.05952	0.8
151.07527	4.5
155.05986	0.5
157.06459	0.9
163.07536	30.8
164.07924	1.3
165.09163	0.8
171.08070	0.9
175.07523	1.7
177.09085	0.6
189.09100	1.6
202.42059	0.5
203.06956	0.9
203.10658	1.6
220.08699	0.7
221.06134	0.7
225.34180	0.5
235.10995	0.7
263.10715	1.5
285.11243	1.7
294.09814	0.5
295.13342	3.1
296.08771	0.8
297.09561	0.7
314.09750	1.0
327.12170	1.2
327.15845	1.2
328.17517	0.8
329.12158	7.7
330.12811	2.8
337.32666	0.5
345.15213	15.7
345.18808	1.8
346.18613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.5
57.07076	2.7
67.05502	4.9
69.07059	3.8
74.00864	2.1
79.05511	5.1
81.07066	9.2
82.08960	2.0
86.09711	7.0
91.05489	4.8
93.07049	3.4
95.08620	8.5
100.79449	2.2
104.99268	33.8
105.07026	8.1
109.10145	2.4
119.08582	4.8
133.10121	6.3
135.11774	2.2
147.11707	4.1
161.13237	2.2
162.64812	2.2
203.18036	2.4
213.79286	2.1
262.98148	32.0
327.26874	2.1
345.15213	3.6
345.24036	100.0
345.27930	17.7
346.24176	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.4
58.99875	0.8
60.05637	0.9
60.95803	0.6
61.01148	0.9
69.07057	1.7
69.21909	0.7
70.06586	5.4
72.08143	2.9
74.25293	0.6
84.08122	1.4
85.02869	0.9
86.09698	59.9
87.09982	0.7
97.06512	4.3
98.97575	6.5
99.04454	1.0
100.02483	1.3
101.00871	11.1
107.04955	1.4
112.08700	1.0
116.98586	2.3
118.03514	2.6
119.01910	27.2
120.01984	1.3
120.97916	0.7
122.07133	1.1
130.03502	1.1
131.01888	1.9
132.10181	1.6
137.02982	5.5
142.07127	3.7
144.08678	3.3
149.02774	0.7
154.03456	0.8
154.07106	1.9
160.08167	3.8
162.09721	2.8
163.09991	0.7
168.08717	2.3
172.04538	1.1
172.08189	16.1
172.94429	3.2
172.95665	0.7
173.02879	1.0
173.06566	1.9
173.08313	1.1
175.11914	1.2
177.00937	2.2
186.09732	29.0
187.09908	2.0
190.09215	3.0
190.95296	2.2
191.03937	0.8
191.07640	1.8
196.08177	1.4
197.06590	3.0
201.00908	2.1
204.10818	6.8
207.11900	0.8
208.10236	1.6
208.96132	1.0
214.09222	46.7
214.95396	4.7
215.07530	2.1
215.09430	3.6
216.05405	0.6
216.98686	1.0
218.12381	0.8
218.98654	0.8
219.01933	4.3
221.01746	0.8
225.00893	0.9
229.70146	0.6
232.10280	100.0
232.96410	11.5
233.08653	0.9
233.10532	9.1
236.99611	1.2
239.16006	1.9
240.14389	1.2
242.98558	1.1
243.01993	5.7
244.02226	1.0
250.97542	5.2
255.01997	3.6
255.11769	1.2
255.15463	0.9
257.17072	4.1
258.99823	0.9
260.99777	2.6
261.03049	2.7
261.99759	1.0
267.15527	1.6
273.03128	1.7
275.18112	2.8
278.97369	0.7
279.00702	2.2
282.99857	0.8
284.99884	8.0
285.02881	1.2
285.16565	17.0
285.99832	0.9
302.97290	1.8
303.00836	9.6
303.04080	0.9
303.17618	69.0
304.00980	2.4
304.17801	7.7
320.98224	1.1
321.18640	4.8
326.19174	1.2
327.00943	1.0
328.03677	2.7
343.53140	0.7
345.01886	7.7
345.18585	1.6
345.22418	7.9
346.04874	10.2
363.02722	1.0
364.05994	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
55.05489	2.3
57.07062	1.4
58.06599	15.8
58.74762	0.6
59.06911	2.8
61.02921	1.0
63.51881	0.7
67.05498	3.9
69.03432	10.5
69.07069	11.2
69.19067	1.2
69.19476	4.2
70.06580	1.6
71.04967	0.8
71.08617	1.3
72.08154	3.5
74.06061	1.5
79.05471	2.9
81.03397	2.8
81.07056	20.4
83.04989	4.6
83.08622	0.8
85.02906	7.4
85.06552	4.2
86.09706	6.0
87.05589	0.9
91.05470	2.3
93.07017	2.0
94.06549	2.9
95.04936	2.1
95.08599	5.2
97.02866	2.1
97.06519	1.7
97.10098	0.8
99.04449	3.6
99.08094	11.3
101.07121	1.7
105.07012	1.3
107.04938	2.0
107.08571	3.2
108.04480	0.7
109.02875	1.0
109.06531	4.5
109.10141	3.1
111.08093	1.8
112.07563	0.9
113.06015	1.6
114.10348	0.8
114.12807	1.3
116.04979	0.9
116.07080	1.1
117.16876	0.7
117.54438	0.8
118.08650	3.3
119.08543	2.1
121.10143	8.4
122.03565	0.8
122.06042	3.9
123.08030	2.2
123.11719	4.0
125.09634	8.1
127.03840	1.1
127.07536	2.9
131.54686	0.7
132.40164	0.7
133.10068	0.8
137.05972	9.4
137.09593	1.7
137.13232	1.0
138.06328	2.2
139.11188	7.4
140.07065	7.8
143.04903	2.1
144.04378	2.1
144.05334	1.7
146.06001	2.4
147.11691	2.7
151.07527	1.4
153.07388	1.7
162.05478	1.7
165.12790	4.3
168.13823	1.2
170.15404	1.3
172.03902	10.1
175.07538	2.2
177.07487	0.9
181.08569	2.8
182.08916	1.0
183.13800	93.8
184.14125	4.2
187.14470	4.1
192.10274	0.8
193.10648	0.8
193.12296	1.2
194.15321	0.9
195.10287	1.0
198.14792	0.7
204.06564	16.6
205.07016	1.1
206.08116	3.3
211.13254	1.4
215.13919	2.1
220.13292	3.6
229.20222	6.9
238.14368	2.1
238.18121	1.2
255.17755	1.3
256.19205	1.2
268.09329	0.9
269.10068	1.7
296.08759	3.2
297.09528	3.3
299.07639	0.8
300.13382	1.3
301.17548	4.8
301.71945	0.7
302.15967	2.4
302.19437	1.3
311.11160	1.9
312.11816	2.5
313.12552	0.8
314.09677	5.6
315.10464	3.8
327.19998	3.5
328.11780	1.7
329.12122	37.9
330.12851	22.5
331.13266	2.1
345.15253	100.0
345.19043	19.9
346.15594	5.7
346.22534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.204
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
50.15636	0.6
53.63713	0.6
55.05521	1.0
57.07077	0.8
58.06588	0.9
58.77382	0.6
60.04505	1.5
67.05504	1.6
69.07054	0.9
69.59429	0.7
70.06601	1.6
71.46921	0.7
79.05486	0.9
81.07063	1.8
83.08598	0.9
88.07639	7.6
90.97437	0.6
93.07054	1.5
95.08609	1.8
104.99277	23.2
105.07046	0.7
106.08713	0.7
107.04915	0.8
107.08578	1.0
113.00026	0.8
119.08606	1.1
121.10100	0.8
131.08511	1.1
135.11804	0.7
169.02573	1.1
171.57942	0.7
175.34531	0.7
243.64688	0.6
262.98132	17.4
280.01453	0.8
284.26694	1.0
284.29547	1.1
298.30911	1.5
327.19574	0.9
329.12213	1.0
345.20358	100.0
345.31915	2.1
346.20770	6.7
346.27115	4.1
346.33179	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01881	4.1
55.05511	7.5
56.96569	68.2
57.03431	6.8
61.02924	11.8
69.03435	27.2
69.67234	5.8
70.06593	7.6
71.04994	3.2
72.08172	5.3
73.02921	5.5
76.02226	2.8
79.05518	3.5
80.02163	1.9
81.03420	8.8
81.07048	3.1
83.04985	4.2
83.08617	6.5
84.08150	3.4
85.02911	97.8
86.09719	18.7
90.55952	1.8
91.03965	7.6
91.05491	17.2
93.07033	1.9
95.04924	2.2
97.02905	33.2
98.97604	4.1
98.98401	1.9
99.04445	4.1
101.02323	2.2
103.03949	3.0
105.00075	3.0
105.07037	26.4
106.57224	2.5
107.04961	100.0
108.05300	3.2
109.02905	12.5
115.03938	6.0
117.06966	2.1
119.08569	8.8
121.06438	2.9
121.10185	2.5
121.99174	6.2
122.02728	25.2
123.08124	3.6
127.03905	23.8
127.04747	2.5
133.04955	3.9
137.05972	4.4
138.06314	4.3
138.22838	1.9
140.00203	51.1
141.00581	2.1
145.04968	39.7
145.06183	3.2
145.06593	3.2
147.04448	6.3
147.08052	31.5
149.04971	3.0
149.05997	33.3
151.07544	4.3
158.01260	57.8
161.09610	6.6
163.05981	4.8
165.05417	2.0
165.09129	8.3
166.05832	2.9
167.07033	16.3
167.10651	6.9
167.99725	4.2
173.06042	3.8
176.02306	14.1
176.53023	2.1
180.08672	17.8
181.02937	2.1
184.09755	3.4
186.00745	26.7
189.09128	6.9
199.18031	3.1
204.01826	42.7
207.10175	61.5
208.10492	3.3
212.02324	12.0
215.07072	7.7
222.02849	12.9
225.11177	2.6
227.17540	2.7
230.03439	6.0
233.08070	6.4
257.08304	4.1
260.02109	1.9
261.05505	2.5
275.09048	4.1
277.04993	5.4
279.06525	7.9
295.05740	2.2
301.12537	5.5
305.04382	20.9
323.05527	74.5
329.11044	3.7
341.06567	2.6
346.11786	2.8
346.15176	8.4
347.12967	11.1
347.16656	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01881	4.1
55.05511	7.5
56.96569	68.2
57.03431	6.8
61.02924	11.8
69.03435	27.2
69.67234	5.8
70.06593	7.6
71.04994	3.2
72.08172	5.3
73.02921	5.5
76.02226	2.8
79.05518	3.5
80.02163	1.9
81.03420	8.8
81.07048	3.1
83.04985	4.2
83.08617	6.5
84.08150	3.4
85.02911	97.8
86.09719	18.7
90.55952	1.8
91.03965	7.6
91.05491	17.2
93.07033	1.9
95.04924	2.2
97.02905	33.2
98.97604	4.1
98.98401	1.9
99.04445	4.1
101.02323	2.2
103.03949	3.0
105.00075	3.0
105.07037	26.4
106.57224	2.5
107.04961	100.0
108.05300	3.2
109.02905	12.5
115.03938	6.0
117.06966	2.1
119.08569	8.8
121.06438	2.9
121.10185	2.5
121.99174	6.2
122.02728	25.2
123.08124	3.6
127.03905	23.8
127.04747	2.5
133.04955	3.9
137.05972	4.4
138.06314	4.3
138.22838	1.9
140.00203	51.1
141.00581	2.1
145.04968	39.7
145.06183	3.2
145.06593	3.2
147.04448	6.3
147.08052	31.5
149.04971	3.0
149.05997	33.3
151.07544	4.3
158.01260	57.8
161.09610	6.6
163.05981	4.8
165.05417	2.0
165.09129	8.3
166.05832	2.9
167.07033	16.3
167.10651	6.9
167.99725	4.2
173.06042	3.8
176.02306	14.1
176.53023	2.1
180.08672	17.8
181.02937	2.1
184.09755	3.4
186.00745	26.7
189.09128	6.9
199.18031	3.1
204.01826	42.7
207.10175	61.5
208.10492	3.3
212.02324	12.0
215.07072	7.7
222.02849	12.9
225.11177	2.6
227.17540	2.7
230.03439	6.0
233.08070	6.4
257.08304	4.1
260.02109	1.9
261.05505	2.5
275.09048	4.1
277.04993	5.4
279.06525	7.9
295.05740	2.2
301.12537	5.5
305.04382	20.9
323.05527	74.5
329.11044	3.7
341.06567	2.6
346.11786	2.8
346.15176	8.4
347.12967	11.1
347.16656	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01867	3.4
55.05499	3.0
56.96564	10.2
57.03429	5.1
61.02924	12.8
61.32307	1.6
62.62841	1.5
66.46126	1.4
69.03432	17.8
69.07089	2.1
69.60602	4.7
70.06590	4.0
71.04997	5.4
73.02918	4.6
81.03401	8.6
82.67187	1.4
83.08615	1.4
84.08167	1.8
85.02900	100.0
86.09702	47.8
87.04458	3.8
91.03952	7.2
91.05482	5.5
92.48897	1.2
97.02891	26.4
99.04456	7.1
101.51008	1.4
103.03954	1.6
107.04951	81.5
108.05297	2.6
109.02866	7.0
115.03932	2.5
116.07135	1.6
119.04945	2.1
121.06515	3.0
123.09142	1.5
127.03909	22.7
131.04868	3.0
133.04953	1.5
137.05981	4.5
138.06331	1.4
138.98885	1.5
140.00211	9.7
145.04959	38.0
147.04433	3.3
147.08034	1.4
148.04736	2.1
149.04993	1.6
149.05974	36.8
150.06306	2.1
158.01233	7.9
163.06042	5.6
165.05469	2.0
166.08676	1.4
167.05911	1.8
167.07056	15.8
173.05980	4.0
180.08656	18.8
184.09698	5.4
186.00740	2.6
199.18047	12.5
201.10336	1.3
204.01807	6.0
212.02327	1.6
215.07057	7.3
223.26103	1.4
227.17555	5.6
232.16437	1.3
233.08098	6.2
257.07944	2.6
275.09119	3.4
301.12686	6.4
305.04474	3.0
323.05548	12.8
346.12219	2.3
346.15280	6.4
347.13098	68.3
347.16699	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94511	2.2
55.05273	2.7
55.05506	11.1
57.03462	1.9
67.05499	14.8
69.07063	5.5
70.42949	1.8
77.76708	1.7
79.05498	17.1
81.07062	16.8
83.08614	5.0
85.06572	2.7
91.05473	16.0
93.07047	19.2
95.08601	16.8
97.06533	3.7
97.10155	5.8
98.23434	4.3
99.08109	6.8
105.07043	20.3
105.64241	2.0
107.04940	4.3
107.08583	16.1
109.06529	3.3
109.10164	7.8
111.08100	3.5
117.07011	5.6
119.08585	17.9
121.10126	11.4
123.08088	3.2
123.11698	2.9
125.09622	5.6
131.08588	5.8
133.10147	17.7
135.08041	2.5
135.11713	3.7
137.09630	3.1
139.11169	2.2
143.08472	2.6
145.10155	9.3
147.11697	10.3
149.09645	7.4
151.11191	3.6
157.10146	2.4
159.11758	6.9
163.11194	6.1
173.13232	2.7
174.09218	6.7
189.11160	2.9
213.16412	2.8
225.93858	2.0
231.17439	6.2
235.16953	4.0
239.17952	3.9
249.18510	29.4
257.19086	5.2
262.51929	2.3
275.20068	100.0
276.20462	6.4
293.21237	6.9
311.22174	16.2
346.23914	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	41.7
57.03449	10.7
57.07075	6.6
57.64489	6.3
60.56503	5.4
67.05506	79.7
69.07072	38.6
69.44415	20.9
71.55499	5.6
74.49511	5.7
79.05489	53.5
81.07055	100.0
83.08626	32.5
84.74368	5.4
85.50011	5.8
91.05497	31.2
93.07050	51.5
95.04973	12.6
95.08610	39.5
96.79265	5.7
97.06535	11.0
97.10165	25.3
98.22688	12.2
105.07052	29.8
107.08596	57.5
109.10160	57.6
111.08105	7.0
117.07069	7.0
119.08576	27.4
121.06528	8.2
121.10101	14.1
122.67321	5.7
123.08097	6.8
123.11690	12.1
123.87868	5.5
125.09633	16.4
131.08580	22.8
133.10115	34.4
135.11682	16.2
145.10117	10.2
147.11734	14.3
149.09618	10.5
149.13231	38.8
155.10677	33.3
159.11685	14.2
163.11197	9.4
173.11734	62.6
173.13129	12.0
177.12752	12.6
189.11220	24.3
195.13812	79.7
213.14838	52.1
220.63000	6.1
232.45287	6.7
239.17841	11.7
257.19016	17.0
261.81100	6.5
275.20081	99.2
293.21075	19.8
310.93555	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.6
57.03432	16.6
57.21049	5.6
67.05504	73.2
69.07071	18.4
70.48411	7.2
70.48752	6.5
73.88989	5.5
79.05493	65.8
81.07058	62.7
83.08611	14.7
91.05492	41.0
93.07046	79.0
95.04963	10.0
95.08598	50.7
97.06522	12.7
97.10184	8.5
98.22812	7.1
105.07048	32.5
107.04940	9.7
107.08600	49.1
109.06522	7.8
109.10146	29.0
111.08076	9.3
117.07010	23.6
119.08559	33.4
121.10144	52.4
121.12148	5.1
123.08057	8.8
123.11703	9.3
125.09626	7.3
131.08549	30.5
133.10153	27.5
135.08051	13.9
135.11671	18.3
137.09631	7.0
145.10112	9.4
147.11687	21.3
149.09663	8.5
149.13306	10.0
157.10046	10.8
158.06029	8.8
159.06783	7.0
159.11678	8.3
165.12703	7.0
167.84422	5.7
173.11743	16.5
173.13148	9.0
174.81763	5.3
175.14761	7.6
189.16370	16.5
199.14790	9.3
213.14940	10.2
217.15871	14.7
235.16910	100.0
236.17455	6.7
257.18936	7.1
261.05289	8.0
275.20071	69.2
276.20114	7.0
289.04486	5.7
293.21161	16.0
294.21588	6.4
346.19934	9.5
347.05420	8.9
347.18097	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
58.06596	2.0
59.07370	0.9
60.05640	0.3
60.08074	0.3
67.05503	0.4
69.68938	0.3
70.06564	0.3
70.58094	0.6
71.08622	1.7
72.08150	8.3
73.04030	0.3
74.06062	0.6
80.37349	0.3
81.07009	0.3
86.09700	1.4
94.04172	0.4
97.07646	1.5
98.06029	0.5
98.22676	0.3
98.70663	0.3
99.08090	4.3
101.07101	0.4
105.07029	0.3
107.04935	1.9
114.10287	12.2
114.11086	0.7
115.08704	3.2
116.10699	0.6
118.08650	34.9
119.08980	0.4
120.93092	0.3
121.06504	0.9
121.10110	0.4
122.03619	1.1
123.03973	0.7
128.10698	1.5
131.13062	0.3
133.87270	0.4
137.05971	12.8
138.06310	9.9
139.06461	0.6
143.04968	0.3
149.05994	1.3
162.06270	0.5
167.07083	1.1
169.16998	9.1
170.15393	26.1
171.15759	0.7
175.07559	0.4
176.07932	0.4
180.08881	0.3
187.14445	3.1
187.18051	1.2
190.07208	0.3
192.07385	0.5
195.89864	0.3
212.17578	16.3
213.17848	0.4
215.13936	0.6
224.07964	0.3
229.20226	100.0
230.20570	4.0
254.08920	0.4
256.04568	0.4
266.09012	0.7
268.10480	0.7
286.11432	0.5
298.11465	0.5
302.19647	0.6
310.11642	0.8
314.76157	0.3
328.12677	0.5
334.67285	0.4
346.19135	1.4
346.28143	0.7
347.12399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72797	0.3
54.78846	0.3
55.05503	0.5
55.48820	0.4
57.07076	6.7
58.06601	1.8
69.87673	1.0
70.06589	15.4
71.02582	0.3
71.08629	3.4
72.08146	0.4
76.22459	0.3
78.47172	0.4
84.08111	0.4
84.91097	0.3
85.10180	0.9
86.09718	0.4
86.69501	0.3
88.07624	22.6
98.23434	0.4
102.09172	12.9
112.07597	0.4
114.72299	0.4
132.10188	1.0
132.13138	0.3
146.11685	0.7
150.11224	0.8
193.63553	0.3
215.84956	0.4
233.05963	1.2
237.75018	0.4
240.26834	1.1
248.08337	0.6
260.08331	0.4
261.05438	0.5
284.29459	40.0
285.29785	3.1
287.35471	0.3
287.85367	0.4
289.04996	0.5
317.04312	0.5
328.32092	2.9
332.06604	1.3
333.01544	0.4
335.05432	0.5
341.69080	0.4
346.33124	100.0
347.05515	0.7
347.09180	3.0
347.25961	0.5
347.33481	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71430	6.9
56.32678	8.8
56.96565	22.1
58.63012	7.1
60.04510	35.9
69.07048	11.8
69.66022	6.5
70.06582	11.2
71.18864	13.8
71.87985	8.5
72.08148	31.5
80.99610	7.8
81.89880	7.8
84.08134	58.7
85.02891	13.1
86.09700	100.0
87.10039	7.6
91.20078	7.8
97.02903	9.1
98.97607	13.6
105.06600	13.1
107.04934	12.2
116.98614	7.8
120.06628	8.5
129.10239	33.1
134.90327	8.1
136.06227	6.9
141.10220	10.7
145.04939	8.7
147.11285	10.5
169.04990	14.0
173.12900	15.2
183.11243	10.4
185.16556	10.5
191.08130	25.6
200.13905	35.7
201.12372	10.9
214.98761	9.4
216.09793	25.5
219.99146	9.1
252.69118	8.2
347.07257	91.6
347.13446	18.1
347.22910	17.3
348.15607	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85098	4.2
56.96575	9.0
60.04523	29.4
69.07089	5.4
70.06585	10.6
70.46155	11.7
72.08140	24.7
74.06072	8.5
74.68202	4.6
81.07037	5.0
84.04523	10.7
84.08145	49.7
85.02932	7.7
86.09706	100.0
87.05594	6.5
88.40270	5.0
98.06070	8.2
98.97549	10.3
104.23611	5.0
105.06631	18.6
107.04960	8.7
108.05295	8.9
109.67439	4.3
111.02625	4.9
116.98637	6.9
118.08614	7.3
129.10223	29.0
134.34784	5.2
136.06169	5.6
138.09177	10.2
141.10269	8.1
147.11371	5.5
155.11819	10.2
169.04977	9.3
173.12880	12.4
183.11304	10.1
185.16479	7.7
186.16826	6.0
191.08202	25.3
200.13930	48.9
201.12347	6.3
216.09816	20.1
228.13475	15.2
251.33252	5.2
282.74878	6.1
313.14261	5.3
329.18155	5.2
347.07428	48.3
347.13193	27.8
347.22736	18.9
348.15546	47.6
368.16721	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
58.24109	0.5
67.78056	0.5
71.17931	0.4
71.34608	0.7
76.17609	0.4
84.08134	1.0
96.91256	0.4
98.11831	0.5
98.97599	0.6
107.04965	0.5
112.97118	0.5
126.05545	0.6
129.10167	0.7
146.60912	0.5
185.07849	1.2
326.70108	0.6
347.13104	100.0
347.16660	6.9
348.13495	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1314
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.05487	0.5
60.12315	0.2
62.83919	0.2
69.85346	0.8
84.08114	0.2
84.40287	0.2
85.02884	0.8
86.09692	1.0
86.96138	0.2
97.02885	0.5
107.04937	0.6
108.05258	0.3
112.51226	0.2
122.33792	0.2
151.07535	0.6
185.04211	0.3
185.07860	1.0
186.58022	0.2
203.05391	0.3
287.11053	1.4
301.12527	1.7
347.13098	100.0
348.13437	4.9
348.21585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
51.28466	0.5
58.74588	0.5
71.13763	0.9
72.08159	0.7
80.91374	0.5
84.08128	1.4
85.02858	0.7
86.09673	0.7
87.69297	0.5
90.18449	0.5
97.00963	0.5
98.97614	0.5
107.04943	0.7
108.05317	0.6
117.32719	0.5
129.10202	1.4
137.05943	0.5
142.14005	0.5
169.04919	0.7
185.07880	2.6
186.23438	0.5
208.87776	0.5
226.20354	0.5
279.07452	1.1
347.13141	7.1
347.16751	100.0
348.13211	0.6
348.17114	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1682
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
52.03951	0.4
54.60855	0.4
55.05495	0.9
57.03431	0.6
67.05497	0.4
70.06582	1.0
71.46284	0.5
72.08138	1.1
75.04469	1.4
79.05471	1.3
81.07038	1.4
84.08160	0.4
85.02889	1.9
87.04472	0.5
91.05466	2.1
93.07034	11.1
95.04964	1.2
95.08600	1.5
96.96614	0.4
97.02847	0.5
97.06499	0.5
103.00634	0.6
103.05466	1.0
105.04498	0.6
105.07021	1.6
107.04962	0.5
107.08567	1.3
109.10168	0.4
111.08055	1.3
118.08677	0.5
120.08053	0.5
121.01697	0.7
121.10138	11.3
123.11707	0.9
131.04910	1.4
131.08575	0.6
133.10133	0.6
137.04645	0.5
137.05896	0.5
139.11157	2.2
145.01700	0.5
149.09608	1.4
161.02975	0.5
163.02826	0.7
167.10660	2.7
169.12123	0.4
173.13268	0.4
185.11485	1.0
229.20290	0.6
230.20517	1.4
283.10706	0.5
286.20071	0.8
311.10190	0.4
313.97214	0.5
329.11246	1.0
329.16299	0.8
347.16730	100.0
348.16885	5.5
348.22733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1682
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05487	1.0
57.03432	0.7
69.63791	1.5
72.08158	0.5
73.81101	0.4
75.04472	1.0
79.05500	1.2
81.07056	1.6
85.02901	1.7
91.05474	1.8
93.07040	8.5
95.04974	1.2
95.08598	1.1
98.46999	0.5
99.04440	0.5
103.00584	0.5
103.05513	0.5
105.07013	1.7
107.04965	0.6
107.08603	0.6
109.06551	0.5
111.08039	1.4
115.55792	0.4
118.08624	0.5
121.01699	0.5
121.10152	8.1
122.10473	0.5
123.08080	0.6
123.11717	0.7
131.04947	1.1
131.08511	0.5
133.10059	0.4
139.11201	1.3
149.09613	1.2
149.86034	0.5
163.02702	0.9
167.10735	2.2
185.11470	2.3
213.18044	0.6
286.20187	0.8
329.06500	0.6
329.10965	0.5
347.16733	100.0
348.16943	5.3
348.22534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
66.35763	0.6
67.05509	0.8
69.39256	0.5
69.77493	1.0
69.77885	1.2
72.60464	0.5
93.07066	0.8
93.28419	0.6
98.22868	1.3
98.23434	0.7
109.10188	0.7
143.86058	0.6
167.41452	0.8
173.11749	1.2
214.97881	0.6
229.07565	1.7
247.08611	0.9
324.87976	0.6
329.17209	1.2
338.37997	0.5
342.81470	0.5
347.18362	100.0
348.09949	1.0
348.18695	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
55.05504	1.0
56.96570	4.3
67.05517	2.6
69.07095	1.2
79.05494	0.7
81.07040	1.3
83.08640	0.9
87.47535	0.6
90.81242	0.5
91.05488	1.0
93.07066	0.8
95.04978	0.7
95.08637	1.8
97.06546	0.8
105.07037	0.8
106.23225	0.6
109.10194	1.4
119.08592	0.8
122.64087	0.6
128.98717	0.6
131.08546	0.7
133.10150	0.6
173.11801	2.0
174.12167	0.7
195.09975	2.6
253.11139	1.1
276.20505	1.2
284.44312	0.6
321.89120	0.5
329.14059	1.4
329.17630	2.7
347.18436	100.0
348.15082	0.8
348.18726	7.2
365.16281	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
70.74333	0.7
75.89396	0.6
109.26218	0.7
164.90729	0.5
168.28156	0.6
177.12839	0.7
219.75668	0.5
225.51100	0.6
249.14653	1.1
265.14136	0.7
299.31342	0.7
347.21927	100.0
347.33508	1.9
348.22305	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.71520	0.7
56.17123	0.6
56.33358	0.7
62.47711	0.6
69.90918	1.9
83.88097	0.7
88.07619	2.7
144.35753	0.7
193.51651	0.8
235.13046	1.3
298.31223	1.2
299.31256	1.0
316.91098	0.7
325.93939	0.8
330.67929	0.8
346.33221	3.3
347.21909	100.0
347.33267	6.1
348.22226	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59888	2.4
56.96553	9.7
60.04514	3.2
65.03945	15.0
69.03419	7.6
70.06585	7.3
72.08148	3.9
73.13654	2.7
81.03424	3.6
81.37564	2.4
84.04517	3.2
84.08140	7.6
84.96024	7.1
85.02895	23.2
86.09715	21.7
88.07625	4.3
93.03402	22.3
97.02886	9.4
98.06055	4.4
98.97572	61.7
103.33256	2.6
110.03693	2.9
110.97597	7.7
111.04442	32.1
116.98622	21.9
119.13699	3.3
123.04436	4.3
124.21816	2.9
125.05987	32.7
127.03917	6.1
128.98598	8.1
129.10263	4.3
134.99673	6.9
136.06187	8.2
145.04985	3.7
146.01340	2.8
151.03922	23.0
158.99632	11.3
169.04962	100.0
170.99731	3.2
171.07610	2.9
173.12891	2.9
177.00700	6.5
177.04318	4.3
180.08568	3.2
191.08189	7.9
201.12392	10.3
205.00192	4.6
219.01752	14.3
229.03828	4.8
229.11801	3.9
237.02792	16.3
247.05014	6.8
303.07468	4.7
321.08539	12.0
348.09995	4.0
348.15704	10.2
349.08737	43.7
367.09055	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08982	1.3
55.50142	1.3
57.03445	1.6
58.33737	1.3
60.04534	1.7
61.02927	2.5
61.75783	1.5
69.03435	5.2
71.04960	1.6
72.08155	1.7
73.02934	1.4
81.03436	1.8
84.08135	2.0
85.02907	23.5
86.09700	7.0
87.04475	1.9
91.03954	2.1
91.05476	13.2
95.04954	2.7
97.02930	7.1
97.27177	1.6
107.04945	1.7
109.02863	1.9
119.04957	11.0
127.03897	2.4
136.06207	1.5
145.04968	4.4
151.07536	100.0
152.07890	3.5
169.08629	8.9
180.08708	1.5
231.12703	1.8
255.41148	1.4
307.77319	1.4
312.35440	1.4
348.13406	19.5
348.17148	5.0
348.99228	1.8
349.08929	12.7
349.13257	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57488	1.0
55.05497	3.4
56.05041	8.6
60.04509	2.7
67.05499	2.8
68.05029	3.8
69.03426	2.7
69.07027	1.3
70.06595	84.5
70.11655	1.2
71.04974	4.1
71.06117	1.7
71.07372	2.4
71.44215	1.3
72.04520	15.5
72.08158	23.5
75.95638	1.0
79.05487	3.4
80.05015	3.4
81.05798	1.7
81.07040	3.0
82.06579	7.5
84.04481	5.4
84.08132	2.8
85.07658	1.1
86.09679	1.6
87.09225	2.4
88.07640	16.2
91.05481	37.4
91.06059	1.9
93.07044	1.9
94.06567	6.1
95.04975	2.5
96.04490	10.7
96.08150	6.6
96.35581	1.3
98.06043	2.8
98.97581	1.9
102.05543	1.2
103.05474	4.8
105.07027	2.2
106.06548	19.2
107.04932	1.9
107.08575	1.4
108.08133	2.1
109.10147	1.2
110.06010	1.2
112.07574	2.2
113.07131	6.7
114.05573	2.4
115.05455	2.5
116.03497	1.3
116.98591	1.1
118.06573	7.0
120.08121	1.5
122.05975	2.0
123.09170	8.2
124.07606	9.2
126.09209	1.3
129.06953	1.9
130.06519	8.1
131.04947	7.3
131.08534	5.6
137.07013	1.9
140.07066	3.2
141.10219	7.0
142.06537	1.7
142.08621	6.8
143.07280	1.3
146.06004	3.8
146.09630	2.0
147.04390	2.0
148.07573	41.8
148.08760	2.4
151.07536	3.8
158.09645	11.9
158.99707	1.4
159.11357	2.4
160.07616	6.3
160.11217	100.0
161.11549	4.4
165.10255	8.3
166.08559	1.3
167.08148	3.2
177.00702	1.6
177.54948	1.1
183.11229	7.7
184.09689	3.3
188.07071	1.4
190.04990	3.6
193.13365	11.3
200.13930	1.5
201.12329	4.2
202.08917	1.8
209.11952	1.7
211.12263	2.4
219.11299	12.8
229.13367	5.2
240.15977	1.4
244.12958	1.2
288.17148	19.3
306.09448	1.5
330.18060	2.5
331.12808	3.5
348.19162	57.0
349.14703	2.3
349.19522	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.11324	0.8
55.05511	3.3
60.04516	0.9
63.73680	0.7
67.05487	2.1
68.05029	12.8
69.03456	1.0
69.04597	0.6
69.07053	1.4
71.46731	0.6
72.62825	0.6
76.06433	0.8
79.05490	3.2
80.05015	20.6
81.03386	1.1
81.04539	2.2
81.07057	3.9
82.05310	1.2
82.06562	1.4
83.06101	4.4
83.08625	1.3
86.06107	0.8
91.05468	2.4
91.18523	0.6
93.05739	0.9
93.07031	2.3
94.06566	16.4
95.06087	87.4
95.08600	2.7
96.06425	1.8
97.06496	0.7
97.10161	1.0
97.52115	0.7
105.07005	2.4
106.06553	2.5
106.07246	0.7
107.06039	0.7
107.08586	3.5
108.08076	1.5
109.10137	1.2
110.06029	1.0
111.08092	0.7
112.08675	0.7
117.07066	0.7
118.06517	2.2
119.08593	1.2
120.08083	2.2
121.10162	1.1
123.08023	1.0
129.06989	1.5
130.06505	1.2
131.08537	1.3
132.08098	2.6
133.08885	0.8
133.10150	2.1
134.09656	2.0
135.11697	1.1
136.06163	2.3
145.07582	1.4
146.08131	1.4
146.09572	0.9
147.11723	1.1
148.08611	0.8
157.10147	1.9
159.11717	1.0
160.08595	0.9
162.10275	8.0
168.73773	0.7
169.12238	1.5
172.08652	0.8
172.11194	1.1
173.09515	0.7
174.10258	33.5
174.12531	3.9
175.10564	1.5
176.11934	0.8
176.14346	3.2
186.12752	9.1
187.14798	0.8
188.11824	1.9
190.25623	0.7
192.13760	3.7
204.13849	2.7
210.14833	2.1
222.14842	2.1
224.14249	0.8
234.11281	0.7
258.19608	1.6
260.16455	3.0
268.18063	23.7
269.18570	1.4
277.18961	1.8
284.17529	2.1
285.17264	0.8
286.19131	33.9
287.19476	2.4
302.18616	4.1
304.20178	100.0
305.20520	6.1
330.17838	1.0
338.67462	0.7
348.19089	39.4
348.26266	1.2
349.13370	0.9
349.19736	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56572	0.2
55.05502	0.4
63.57953	0.3
67.05500	1.4
67.50719	0.2
69.07052	0.4
71.04993	0.5
72.08153	0.4
79.05499	1.0
81.07076	1.6
91.05477	0.9
93.07051	1.8
94.04047	0.5
95.08606	1.0
95.12920	0.2
97.06543	0.5
104.10748	0.8
105.07008	0.6
107.08604	0.8
109.05095	0.4
109.06512	0.4
117.07012	0.4
119.03548	2.3
119.08615	0.3
120.08116	0.8
121.10099	0.4
129.07068	0.3
131.08595	0.9
133.10152	0.6
135.11700	0.6
136.06189	100.0
137.04605	2.8
137.06497	1.0
149.13271	0.6
153.12747	0.5
189.07028	0.7
217.06461	0.4
245.06023	0.4
247.07516	0.7
275.07053	0.8
277.19290	0.5
286.16739	0.6
304.17847	0.4
319.05945	0.6
330.19281	6.6
331.19312	0.4
348.20300	51.6
349.07123	3.0
349.20685	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2169
Annotation	Consabatine
Peak:m/z	Relative Intensity
52.25905	0.4
52.32145	0.4
55.05509	1.6
56.99367	0.4
67.05506	1.1
69.07069	1.0
72.08146	0.5
79.05479	0.8
81.07057	1.9
91.05486	1.2
93.07061	1.0
95.08630	1.0
97.06565	0.4
105.07030	0.9
107.08590	1.0
109.10159	0.6
117.05791	1.3
118.06528	2.4
119.03541	0.5
119.08548	0.4
128.12163	0.4
130.06528	1.2
131.07301	0.4
131.08574	0.4
131.45544	0.3
132.04475	0.5
132.08073	6.6
133.08891	1.6
133.10149	0.5
134.06006	0.5
134.09654	0.8
136.06181	39.8
137.04604	2.8
144.08054	0.8
146.06007	6.7
146.09682	1.0
147.06807	0.7
150.09119	0.5
156.08191	0.5
158.09659	0.7
160.07616	1.4
161.08389	0.6
162.09122	3.9
168.72791	0.4
174.09204	1.2
176.07133	0.6
176.10687	9.9
176.12152	0.5
177.11482	7.5
177.12946	0.6
178.12154	0.5
178.30960	0.4
190.08614	16.5
191.09286	0.5
202.12328	0.6
204.10242	1.2
217.06625	0.7
218.11784	0.9
220.13327	1.8
247.07520	0.9
258.18646	0.5
260.13007	0.5
275.07190	1.3
277.19348	0.7
286.18100	3.8
304.19104	0.5
316.11984	0.7
318.16696	0.5
319.06140	0.7
320.22141	0.5
330.19321	2.2
348.21680	100.0
349.07016	2.9
349.21973	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63859	4.4
55.01876	6.8
55.05516	41.7
55.97268	4.9
57.03445	9.9
67.05508	100.0
69.03436	4.8
69.07072	16.6
71.08633	20.4
75.18816	4.6
79.05495	23.4
81.07062	57.8
83.08618	29.5
91.05464	24.8
93.07050	42.8
95.08623	20.1
97.06522	8.6
97.10181	17.5
98.22607	10.0
99.08109	16.1
105.07035	13.4
107.08612	20.4
109.10165	68.0
111.08107	7.2
113.09618	4.5
119.08614	10.3
121.10133	17.7
123.11717	8.0
125.09668	18.0
131.08636	4.7
133.10132	12.8
135.10713	4.4
135.11710	14.0
136.33878	4.9
149.13290	22.5
151.11217	10.9
155.10684	41.5
159.11615	9.0
161.13275	11.6
165.12828	5.2
167.14262	4.8
171.10313	5.1
173.11749	93.5
177.12787	9.1
189.11221	26.1
195.13820	74.1
202.44347	5.1
213.14861	33.5
259.20700	7.5
277.21652	53.0
295.22723	28.5
349.19919	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0707
Annotation	Justicidin E
Peak:m/z	Relative Intensity
57.38668	0.3
67.05502	0.3
69.26917	1.2
69.27315	0.6
73.18767	0.3
81.07029	0.4
91.05476	0.3
98.23419	0.7
105.07050	0.5
106.34832	0.3
107.08573	0.4
111.03671	0.3
133.10057	0.4
164.07277	0.3
177.06998	1.9
179.08450	0.4
189.06985	13.3
190.07587	1.2
191.08571	2.5
205.06474	5.7
205.08234	0.5
207.08046	0.7
217.06483	19.6
218.07079	1.8
219.08038	3.8
220.08379	0.4
233.05998	4.0
234.06657	0.5
235.07555	3.6
245.05984	8.2
246.06691	3.1
247.07539	20.8
248.07944	1.1
249.05521	0.7
249.09183	0.4
261.05463	2.2
262.06287	1.1
263.06973	5.1
273.05365	2.3
274.06180	1.2
275.07019	37.5
276.07428	2.3
277.08655	1.0
289.05109	1.0
290.05542	0.5
291.06488	7.7
292.06906	0.4
301.04935	1.2
303.06500	7.2
304.07190	0.9
305.08063	12.1
306.08392	1.3
319.06018	16.8
320.06421	0.7
321.07629	1.1
331.06006	3.1
349.07062	100.0
349.19919	2.1
350.07434	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0707
Annotation	Justicidin E
Peak:m/z	Relative Intensity
55.01876	1.2
57.07063	2.7
58.81348	0.9
59.56345	0.9
67.36867	0.8
70.06576	5.4
71.06918	2.0
88.07641	4.5
89.07887	1.2
102.09158	3.2
102.12781	1.0
103.09496	2.0
105.07022	1.0
110.50005	0.9
114.14683	0.9
129.83954	0.9
135.21837	1.4
152.50227	1.0
186.47600	1.0
189.06979	56.6
190.07497	4.8
191.08522	3.9
205.06454	3.3
212.95451	1.1
217.06477	49.4
218.06981	3.5
219.08052	6.8
233.05928	3.6
235.07349	1.1
238.70094	1.1
245.05975	31.4
246.06706	17.9
247.07523	100.0
248.07841	7.1
249.05357	4.7
249.09032	2.0
261.05399	2.0
263.06815	1.4
273.05450	25.5
274.06207	5.3
275.07019	92.6
276.07434	6.0
277.04901	2.5
284.29373	1.9
285.29678	3.4
286.30121	11.4
289.04913	1.1
291.06528	10.3
301.04922	12.6
303.06470	5.8
304.07275	7.4
305.08041	36.8
306.08264	2.1
319.05997	79.9
320.06436	7.1
331.05939	16.8
332.06229	1.4
334.07492	1.5
335.09296	6.1
335.12521	1.2
348.33759	39.2
349.06909	39.1
349.10931	1.6
349.16678	5.8
349.33832	4.5
350.07175	3.3
350.11340	4.4
367.17670	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0706
Annotation	Justicidin E
Peak:m/z	Relative Intensity
53.75589	0.5
69.64413	2.1
69.64768	0.5
70.90811	0.5
103.69712	0.5
173.70471	0.5
176.06157	0.8
177.07005	3.1
189.06984	14.8
190.07513	1.2
191.08559	2.1
205.06476	10.9
206.06851	0.8
207.08069	1.0
217.06467	25.9
218.07092	3.0
219.08002	4.6
227.03391	3.0
233.05956	4.5
235.07561	6.0
245.05978	11.1
246.06706	3.5
247.07547	22.8
248.07893	1.2
249.09137	0.5
261.05447	2.4
262.06262	1.2
263.07025	8.2
273.05493	3.3
274.06134	1.2
275.06998	49.1
275.20190	1.3
276.07425	2.9
277.08701	1.3
289.04892	0.9
291.06500	9.8
301.05087	1.5
303.06479	9.5
304.07132	1.1
305.08035	12.3
319.05991	21.5
320.06354	1.3
321.07370	0.8
331.06021	4.8
349.07056	100.0
350.07416	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0706
Annotation	Justicidin E
Peak:m/z	Relative Intensity
55.05494	0.3
56.13428	0.3
57.03430	0.3
58.20030	0.3
61.24203	0.3
62.56760	0.3
66.77847	0.3
67.05478	0.5
69.43516	1.2
75.04451	0.3
79.05457	0.6
81.07032	0.9
85.06598	0.3
91.05483	0.5
93.07033	0.8
94.04006	0.3
95.08590	0.5
105.07023	0.8
108.51810	0.3
111.04553	0.3
119.03567	0.5
119.08554	0.6
120.08115	0.3
136.06178	25.8
137.04619	3.2
137.06650	2.2
138.61565	0.4
142.04955	0.3
147.11606	0.3
153.12682	0.4
165.06999	0.5
177.06999	2.0
179.08598	0.5
189.06978	13.3
190.07568	1.0
191.08617	1.7
193.84192	0.3
201.06969	0.4
205.06485	6.5
207.07985	0.6
209.05943	0.4
217.06479	21.2
218.07076	2.3
219.08061	3.2
221.06009	0.3
233.05981	4.3
234.06552	0.6
235.07483	3.9
245.05951	10.1
246.06700	3.3
247.07532	23.4
248.07939	1.1
249.05396	0.5
249.09079	0.4
261.05463	3.6
262.06284	0.8
263.07022	5.4
273.05460	2.9
274.06226	1.2
275.07010	39.4
276.07324	2.4
277.08444	1.1
286.16840	0.3
289.04889	0.9
290.05756	0.4
291.06497	9.7
292.06854	0.7
301.04996	1.4
303.06497	7.5
304.07104	1.0
305.08063	10.8
306.08353	0.8
319.06000	19.9
320.06396	1.3
321.07620	1.3
330.19168	1.3
331.05954	3.9
331.17264	0.3
331.19421	0.3
348.20282	9.0
349.07050	100.0
349.20544	4.6
350.07361	5.9
350.23349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03435	0.5
65.03930	0.4
67.05500	2.0
69.03415	0.7
69.07053	1.0
70.06593	0.4
71.04996	0.5
79.05072	0.4
79.05476	1.9
81.03413	0.5
81.07060	3.1
83.04982	0.5
83.08614	0.7
85.02921	0.5
90.66838	0.4
91.05476	3.7
92.71259	0.3
93.07046	3.6
95.04967	1.3
95.08595	2.7
97.02886	0.6
97.06501	0.6
105.07015	3.3
107.04948	0.6
107.08578	2.4
109.06519	0.8
109.10138	0.8
114.05547	0.5
115.03923	0.4
117.07002	0.9
119.08591	2.9
121.06501	0.7
121.10135	1.5
123.08032	0.6
129.06949	0.5
131.07216	0.4
131.08540	1.7
133.10173	2.3
135.08051	0.7
135.11681	0.9
137.09583	0.5
143.08507	0.4
145.10124	1.7
147.08080	0.5
147.11697	1.3
149.09558	0.7
155.08559	0.6
157.10121	1.5
159.07983	0.4
159.11678	1.4
161.13214	0.6
163.11159	0.5
165.06995	0.4
169.10123	0.6
173.13300	0.9
176.07074	0.8
177.06984	2.5
185.13370	0.5
189.05273	0.7
189.06966	13.5
189.08617	0.8
189.12675	0.4
190.07442	1.0
191.08580	1.4
193.06461	0.4
201.06969	0.7
201.16412	0.6
204.10106	0.7
205.06477	6.8
206.07153	0.4
207.08044	0.4
217.06473	22.1
217.15897	0.7
218.07164	2.8
219.08046	4.4
233.05983	3.8
235.07512	4.5
245.05974	8.5
246.06702	3.3
247.07530	20.5
248.07983	1.2
249.05493	0.8
261.05490	2.5
262.06271	1.3
263.07013	6.0
273.05444	3.0
274.06247	0.9
275.07007	38.3
275.19977	1.4
276.07437	2.6
277.08575	1.3
289.05051	0.9
290.05652	0.8
291.06467	10.7
292.06790	0.9
301.04987	1.4
302.21069	0.7
303.06473	6.2
304.07108	1.0
305.08057	10.3
305.17172	0.7
306.08331	0.5
313.17990	0.7
319.05981	18.5
320.06317	1.4
321.07571	1.5
330.20569	5.1
331.06012	4.2
331.15390	0.6
331.20978	1.5
348.21603	5.6
348.25433	2.8
349.07043	100.0
349.19583	20.8
350.07419	6.7
350.19846	0.5
371.81830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
54.32570	3.9
67.34353	3.7
70.96907	5.6
74.82118	3.4
98.97558	6.0
103.43407	4.1
161.54796	3.9
165.26782	3.6
187.03685	54.0
201.01567	7.1
305.67365	4.3
336.93018	5.1
349.08948	100.0
350.09366	7.5
359.10080	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
70.80122	5.2
94.93008	32.3
96.92809	5.7
136.42175	4.7
156.04231	55.6
170.08264	4.3
187.03682	12.3
187.05519	4.7
206.88609	7.9
247.91147	7.8
248.89613	55.8
248.91965	5.7
250.89484	16.5
251.02022	11.9
340.64072	4.2
349.08972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1777
Annotation	Imidocarb
Peak:m/z	Relative Intensity
55.05507	5.5
56.51910	4.4
56.76383	4.0
56.96548	12.5
67.05509	13.1
69.07037	4.4
70.71268	7.3
76.42236	4.1
79.05486	14.5
81.07066	8.4
91.05482	12.0
93.07037	7.8
95.08630	10.3
105.07020	9.0
107.08616	5.5
119.08591	8.5
121.10152	6.4
131.08617	5.7
133.10199	4.5
145.10147	5.1
147.61266	4.0
175.32872	4.4
243.09065	6.5
257.19095	6.2
275.20013	13.2
331.15784	37.3
349.07050	9.6
349.16852	100.0
349.23926	18.0
350.18060	6.8
367.17780	9.6
372.18457	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51656	14.0
56.96554	19.7
57.35654	10.1
65.64778	10.3
69.44760	63.4
81.07117	12.9
91.05478	16.7
93.07007	16.3
109.06448	17.9
115.71453	14.2
121.10179	14.5
123.08091	17.5
148.06638	12.6
179.14322	48.5
217.06635	16.6
272.06494	14.1
275.07056	38.5
349.07089	58.9
349.17725	100.0
349.23248	97.8
349.27390	85.2
350.23807	14.7
358.01813	12.1
367.17722	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05508	2.0
56.96570	11.9
57.03423	1.3
58.71367	1.3
66.64056	1.2
67.05511	2.1
68.12518	1.3
70.36669	1.4
70.36998	2.3
72.86482	1.4
79.05494	3.8
81.07043	3.3
91.05477	2.4
93.07036	1.3
95.08640	2.2
105.07038	3.0
105.73501	1.4
107.08578	1.7
110.97595	2.5
123.08126	1.7
128.72997	1.5
129.73520	1.2
131.08549	1.5
133.10147	2.9
161.06012	2.0
177.06998	1.6
189.06981	6.1
190.07681	3.2
191.08554	4.5
199.06485	3.1
204.05759	1.8
205.06436	10.0
207.07999	1.4
209.73161	1.5
213.07945	3.2
217.06369	10.5
218.07104	3.9
219.08026	10.2
221.08118	1.4
229.07477	4.8
231.08907	2.8
232.05045	1.7
233.06015	14.8
234.06606	2.4
235.07547	5.7
245.05965	26.2
246.06590	5.3
247.07494	23.1
248.07930	2.4
255.09116	2.4
261.05457	20.0
262.06076	8.1
263.07022	7.5
267.08908	2.0
269.10590	6.1
273.05386	2.0
274.06210	1.6
275.07040	6.4
275.20007	4.2
285.10056	2.3
287.11694	2.3
289.04895	8.8
290.05542	3.8
291.06494	29.0
292.06912	3.5
303.06363	8.3
319.02536	2.3
319.06009	27.9
320.06284	2.7
326.11835	1.4
331.06076	2.6
331.15799	6.0
349.07056	100.0
349.16504	22.0
349.23761	3.3
349.27057	2.1
349.30969	1.5
350.07507	11.5
360.47314	1.3
367.18024	8.4
372.18826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.3
57.03425	2.5
57.07065	5.2
58.06573	1.7
58.07409	1.8
67.05508	1.8
70.06592	8.6
70.16090	1.4
70.16421	2.4
71.06941	2.6
71.11034	1.1
79.05495	2.0
81.07059	3.7
88.07639	9.5
88.99403	1.2
89.07968	5.3
91.05473	2.5
93.07025	5.4
94.53377	1.1
95.08584	4.1
97.96848	1.6
102.09181	5.2
103.09532	3.3
103.56618	1.1
105.07066	3.8
107.08578	3.3
109.06504	1.4
109.10155	1.8
110.97599	1.5
119.08590	1.4
121.10128	2.0
123.08002	1.4
124.23685	1.2
128.98621	1.6
131.08560	1.7
147.11707	1.3
171.03163	1.4
171.11737	1.3
177.06926	1.4
187.05464	1.3
189.06992	51.8
190.07471	4.7
191.08563	4.0
205.06459	5.9
217.06487	52.0
218.06993	5.7
219.08092	4.3
227.03490	1.7
233.05963	2.1
235.07529	1.5
241.11145	5.2
245.05965	25.1
246.06784	16.4
247.07547	100.0
248.07941	8.9
249.05458	4.6
259.12253	4.2
261.05411	1.9
262.06073	1.5
263.06909	1.7
273.05493	26.9
274.06049	6.3
275.07022	94.3
276.07321	9.6
277.05066	1.5
284.29428	3.5
285.29855	6.7
286.30130	17.2
287.30338	3.2
291.06506	11.2
301.04898	12.5
302.05518	2.0
303.06476	5.3
304.07285	6.8
305.08075	39.8
306.08316	5.1
319.06003	85.3
320.06403	9.1
331.05966	18.8
331.22672	1.7
332.06375	2.1
335.09149	4.5
348.33789	56.9
349.07031	42.9
349.11017	2.3
349.16544	12.0
349.23749	3.9
349.27411	1.6
349.34070	21.4
350.07370	4.0
350.11496	4.3
367.17999	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	37.0
67.05482	5.2
69.07048	9.1
70.71146	4.6
71.89932	2.2
79.05449	8.9
81.07040	7.5
91.05451	3.5
93.07053	4.6
95.04912	2.9
95.08548	3.8
97.96785	4.8
101.70847	2.7
105.07015	5.3
107.08627	2.7
110.97531	7.8
111.08875	2.3
128.98619	12.9
137.02708	3.9
139.00629	3.5
140.59758	2.4
146.99611	4.8
153.02220	2.6
155.03758	2.7
161.01120	3.5
165.15941	2.7
171.03232	4.6
185.04745	4.0
187.38943	2.5
199.06374	11.1
203.05890	4.8
211.06442	4.2
217.07401	11.3
217.09311	2.9
223.02760	4.4
237.04153	3.6
237.07881	5.3
239.09329	3.3
243.08966	10.8
255.09056	26.0
256.09216	3.0
273.10007	9.2
275.20081	6.0
277.11011	3.8
280.09720	8.0
281.10544	4.5
313.14725	2.7
331.12259	3.8
331.15811	52.2
332.15982	3.6
349.06940	4.9
349.16840	100.0
349.23734	5.3
349.27365	5.0
350.17276	7.6
367.17905	22.5
372.18600	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
51.02190	0.3
51.78286	0.3
56.26805	0.3
57.03437	0.5
58.16648	0.3
64.79968	0.3
67.05508	0.5
69.53963	0.9
79.05479	0.4
81.07024	0.5
91.05452	0.5
93.07076	0.4
96.09938	0.3
98.23501	0.3
105.06997	0.4
131.08495	0.5
135.07027	0.3
153.24895	0.3
161.43649	0.3
171.90205	0.3
189.06960	0.5
217.06502	0.4
219.17453	1.1
247.07567	0.8
247.16914	0.4
275.07034	1.0
319.06024	0.8
349.19818	100.0
350.20142	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
51.14109	0.4
53.82498	0.3
69.89194	0.8
98.22755	0.8
111.04196	0.5
124.10275	0.4
137.05675	0.9
159.17499	0.4
225.11018	0.6
254.95645	0.4
261.14590	2.7
349.19830	100.0
350.20145	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59318	0.4
54.91836	0.4
60.35486	0.4
69.16881	2.5
79.05562	0.3
123.03085	0.4
137.05728	1.9
181.35405	0.4
184.10103	0.4
198.01579	0.4
221.11444	2.3
235.13100	1.2
251.12447	0.5
331.18909	0.5
349.19839	100.0
350.20184	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76279	0.3
67.05500	0.5
68.52518	0.4
69.71995	0.8
69.72375	0.6
85.24163	0.4
89.10204	0.3
93.07045	0.7
98.23376	0.7
105.07013	0.5
111.39787	0.3
113.03770	0.4
145.10075	0.5
193.76288	0.4
244.63681	0.3
251.12546	12.2
257.18658	0.4
331.18823	0.4
349.19873	100.0
350.20221	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
54.91956	0.4
55.01862	0.7
55.05513	2.7
56.96568	1.0
57.03434	1.2
57.07075	1.8
61.85054	0.4
65.03921	0.4
67.05508	4.7
67.80102	0.5
68.68211	0.4
69.03431	0.6
69.07071	4.0
71.08640	2.6
72.94682	0.4
79.05492	4.5
81.03377	0.5
81.07058	6.4
82.41172	0.5
83.04984	1.0
83.08622	1.5
85.06543	0.7
91.05468	3.6
93.07050	4.9
95.08606	6.8
97.06528	0.5
97.10202	0.7
98.23265	2.5
99.08096	1.8
103.03921	0.5
105.07018	3.7
107.08597	6.3
109.06532	1.6
109.10172	3.0
111.08109	0.5
117.07043	1.1
119.08588	6.7
121.06496	0.7
121.10151	4.1
123.08074	4.2
123.11706	0.9
129.05602	0.8
131.08589	1.5
133.10130	3.5
135.08051	3.3
135.11691	2.5
137.09633	1.4
137.13293	1.8
145.10143	1.8
147.11729	1.9
149.09618	2.6
149.13293	1.4
151.11156	0.5
159.11740	1.5
161.09666	1.0
161.13261	2.0
163.11249	0.8
163.14851	1.7
165.12781	1.4
173.13260	1.3
175.11217	0.6
175.14917	0.6
177.12764	0.6
179.14294	5.0
189.06970	1.1
191.14296	2.4
197.13033	0.4
205.16049	0.5
209.11613	2.0
215.17873	0.5
217.06528	1.0
219.08047	0.5
229.19614	0.7
235.13148	0.6
245.06076	0.7
246.06935	0.6
247.07491	2.3
247.09813	0.5
247.20647	0.8
256.76779	0.4
257.19089	1.0
275.07013	2.0
275.20139	2.2
286.30481	0.5
291.06378	0.5
303.26822	8.9
304.27008	0.5
305.08167	1.6
305.18011	1.2
319.06070	1.4
323.18970	0.9
331.06143	0.7
331.26315	44.3
332.26538	3.0
348.33884	1.2
349.07492	4.3
349.19882	100.0
349.23395	6.6
349.27335	5.7
350.20169	6.2
350.26923	1.4
367.17941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57312	0.4
54.39042	0.4
55.05499	1.3
57.18046	0.4
67.05510	1.3
69.07063	1.0
69.58480	1.2
70.06605	0.5
71.04983	0.5
77.56992	0.4
79.05478	1.7
81.07063	1.5
83.08633	0.5
83.11144	0.4
84.94307	0.4
91.05478	1.4
93.07042	1.0
95.04966	1.0
95.08589	1.3
96.45578	0.3
97.06516	0.5
98.22773	0.7
105.07031	1.3
107.08593	1.4
109.06477	0.7
117.07003	0.7
119.08607	1.1
121.10145	0.6
131.08580	0.9
133.10149	1.1
136.06119	0.5
137.06033	0.5
139.96692	0.4
145.07793	0.4
145.10133	1.0
149.09544	0.5
153.05460	1.0
156.84009	0.4
157.10063	0.6
159.11647	0.5
177.05476	1.5
187.92278	0.4
189.06958	0.5
189.79338	0.4
195.09970	1.1
205.63559	0.4
217.06410	0.7
219.06577	0.5
221.11487	0.6
247.07521	0.7
250.11696	1.4
275.06946	0.9
275.20023	0.6
278.05884	0.4
295.22589	0.5
303.06424	0.5
319.06064	0.9
331.15237	1.5
331.18823	6.8
349.07278	3.5
349.19830	100.0
350.20056	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.6
57.07066	0.9
65.78139	0.6
67.05490	1.0
69.07063	2.2
69.74048	2.0
71.08640	0.7
75.38651	0.5
79.05506	1.4
81.07057	1.5
85.02766	0.6
93.07035	1.0
95.08603	1.1
105.07057	0.6
107.08575	0.8
108.08142	0.7
109.06505	2.6
109.10122	0.8
119.08582	1.4
121.10124	0.8
123.08066	8.2
135.08054	0.9
138.09164	1.1
149.13188	0.8
152.10706	1.4
163.55638	0.5
164.10698	1.6
179.14294	8.4
194.15327	0.9
215.49777	0.7
234.18692	0.8
249.14622	0.7
293.21252	1.8
331.26450	0.6
332.25787	2.0
349.23447	100.0
349.27832	23.6
350.23834	8.1
350.28204	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96407	0.3
55.05500	0.7
57.07074	0.9
59.18531	0.4
63.41909	0.3
67.05500	1.0
69.07066	1.7
71.08637	0.7
79.05486	0.5
81.07054	2.1
83.01138	0.4
83.08604	0.4
89.06007	0.4
91.05498	0.6
93.07056	1.3
95.08628	1.4
97.12955	0.3
105.07049	0.6
107.08608	1.1
109.06508	2.4
109.10165	0.6
113.00030	1.0
114.44389	0.4
115.95277	0.4
119.08620	0.8
121.10143	0.4
123.08062	5.0
131.08542	0.4
133.10104	0.6
135.08078	0.4
135.11668	0.4
137.09619	0.3
143.31789	0.4
145.10106	0.5
147.11646	0.5
160.05547	0.4
165.12746	0.9
169.02649	0.6
178.32843	0.3
179.14325	6.3
201.85719	0.3
209.11459	0.5
229.80789	0.4
235.12929	0.7
249.14806	0.6
289.25360	1.1
293.20856	0.7
308.33273	0.4
317.24734	5.5
318.25089	0.7
331.26245	0.5
349.23517	100.0
349.27393	10.2
350.23862	8.2
350.27856	1.1
356.65994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01862	1.8
55.05506	7.7
57.03434	41.0
57.07067	1.3
57.54900	0.7
59.04990	0.8
65.03942	1.3
67.05501	31.0
69.03415	1.3
69.07063	7.4
71.04986	1.0
71.22252	0.8
73.80859	0.7
77.03921	0.8
79.05487	28.4
81.03410	1.4
81.07050	24.6
83.04971	3.2
83.08630	3.9
85.06538	9.8
91.05475	33.7
93.07036	32.2
95.04967	5.5
95.08604	18.5
97.06516	2.8
97.10175	2.3
99.04429	6.4
99.08065	2.0
103.05467	1.2
105.04545	1.5
105.07018	26.3
106.07355	1.2
107.04949	3.7
107.08587	14.9
108.08912	0.8
109.06509	10.1
109.10158	6.6
111.08081	3.4
115.04711	0.8
115.05491	1.5
117.07014	11.3
118.07356	0.8
119.07740	1.4
119.08569	23.9
121.06509	2.0
121.10130	11.2
123.08067	4.4
123.11703	1.1
129.06985	2.9
131.08543	17.3
133.10107	15.8
135.08061	2.7
135.11674	6.4
135.56409	0.7
137.09608	2.5
139.11108	0.9
143.08527	3.5
145.10112	11.6
147.08081	0.8
147.11690	6.4
149.09602	2.6
149.13245	2.1
151.11165	1.0
153.12764	3.4
155.08461	1.0
157.10101	2.4
159.11682	7.9
161.13258	2.5
163.11156	1.4
171.11748	1.4
173.13222	4.7
175.14772	2.4
177.12723	1.3
183.11610	0.9
185.13217	4.4
189.07010	2.4
191.14336	0.9
197.13191	1.1
199.14688	0.9
201.16399	6.3
203.14272	4.4
209.15384	1.1
217.06406	2.4
219.17419	100.0
220.17773	6.0
239.17953	1.1
245.05809	1.8
247.07486	5.1
257.18982	2.5
259.16931	0.8
263.06851	1.0
273.05368	1.0
275.06989	5.2
275.20020	15.0
276.20221	0.8
305.07938	2.6
319.06021	4.3
349.06992	5.9
349.17081	1.5
349.19498	1.8
349.23642	24.4
349.27063	1.0
349.33746	1.1
350.23929	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01843	2.1
55.05515	9.0
57.03440	33.2
57.07057	1.4
59.04980	1.2
65.03928	1.4
67.05170	1.5
67.05505	24.4
69.03422	0.7
69.07063	6.8
69.22348	0.7
71.04987	1.3
73.06577	0.9
79.05495	26.9
81.03405	1.3
81.07054	24.5
83.04953	2.2
83.08624	4.7
83.17747	0.7
85.06108	1.1
85.06543	9.9
91.05484	35.3
93.07049	31.4
94.07369	0.7
95.04966	3.9
95.08611	17.2
97.06514	2.7
97.10159	2.1
98.23037	1.0
99.04459	6.0
99.08093	1.1
105.04481	1.3
105.06349	1.3
105.07031	24.4
107.04980	3.6
107.08603	13.9
109.06520	10.6
109.10156	5.4
111.08061	2.5
115.07610	0.8
117.07018	13.1
119.08582	20.1
121.06491	2.4
121.10148	11.2
123.08076	4.9
129.06999	4.2
131.07652	1.3
131.08566	16.1
133.10126	13.7
135.08075	4.3
135.11687	7.4
137.09599	2.3
143.08569	3.2
145.10129	9.9
147.11674	5.3
149.09639	2.8
149.13255	1.3
153.12717	2.3
155.08528	0.7
157.10184	1.0
159.11691	6.9
161.13223	2.9
163.14783	1.0
169.10165	1.1
171.11696	1.4
173.13289	4.5
175.11200	0.8
175.14784	2.0
177.12769	0.9
179.14352	0.8
183.11661	1.2
185.13252	2.8
189.07005	3.0
201.16380	5.0
203.14301	4.3
209.15417	2.5
217.06514	2.4
217.15929	0.8
219.17447	100.0
220.17722	4.9
221.15326	0.7
239.17780	0.9
241.67853	0.7
247.07512	5.3
248.08081	0.8
257.18954	2.5
266.82608	0.9
273.05338	1.1
275.07010	5.9
275.20078	13.6
291.06500	1.2
305.08072	2.8
319.06064	5.1
349.07019	5.0
349.19632	1.9
349.23718	27.8
349.27313	1.6
350.24301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.73236	0.9
55.01876	4.4
55.05515	5.8
57.07066	2.3
64.78645	0.9
67.05504	11.6
69.07069	12.0
69.34727	0.8
69.35044	5.0
71.04985	2.2
71.08626	2.4
73.52594	1.0
79.05489	7.2
81.07056	15.9
83.04929	1.1
83.08587	4.4
85.06542	1.9
89.06024	2.9
89.25538	0.8
90.47907	1.1
91.05488	4.6
93.07047	7.7
95.04965	5.4
95.08610	11.7
97.06515	6.5
98.22625	1.1
99.08115	1.3
105.07015	7.0
107.08595	6.1
109.06516	50.2
109.10172	5.2
110.06819	1.5
117.06976	1.6
119.08588	7.2
121.06515	2.2
121.10146	3.6
123.08067	20.7
123.11692	2.1
129.07021	0.9
131.08549	2.0
133.10141	4.9
135.08057	3.2
135.11711	1.9
137.09613	2.2
145.10107	3.4
147.11572	2.3
149.09666	2.3
149.13252	1.9
151.09671	2.4
151.11247	1.2
159.11726	2.6
161.13283	1.8
163.11218	1.5
165.12744	8.5
179.14311	20.0
180.14676	1.4
201.16367	0.9
261.18530	1.6
289.25232	1.5
293.21027	9.2
294.21103	1.2
317.24805	10.6
331.26553	1.3
349.27362	100.0
350.27792	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05507	6.5
57.07061	1.8
59.04995	0.7
64.73166	0.5
67.05501	5.3
67.33401	0.4
69.07064	11.4
69.76012	1.6
71.04979	1.5
71.08607	0.7
73.06548	0.7
79.05482	4.2
81.07048	9.1
83.04973	0.6
83.08615	5.0
85.06547	1.3
91.05479	1.3
91.84607	0.5
93.07047	5.1
95.04973	0.7
95.08604	8.4
97.06509	2.3
97.10155	1.1
98.23453	0.6
105.07016	2.5
107.08593	6.0
109.06512	12.5
109.07221	0.8
109.10144	4.2
111.08070	1.6
116.68765	0.4
119.08569	3.7
119.59756	0.6
121.06561	0.5
121.10126	3.8
123.08060	72.3
123.11696	1.8
124.08324	2.3
131.08583	0.7
133.10109	2.4
135.08026	5.7
135.11674	2.1
136.08746	0.6
137.09589	3.5
137.13300	0.6
145.10110	1.3
147.11681	2.0
149.09631	1.5
149.13269	1.6
151.11201	0.6
159.11641	1.3
161.13232	1.7
163.11220	0.8
163.14780	0.5
163.80666	0.4
165.12801	0.9
167.14314	0.7
177.12816	0.5
179.14299	14.2
180.14633	0.8
233.18820	0.6
259.86307	0.5
275.20056	2.4
289.25369	1.0
293.21078	14.8
294.21460	1.4
303.26694	0.6
307.22739	0.8
331.26224	3.1
349.27353	100.0
350.27664	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.39883	0.5
54.74643	0.5
55.05500	1.8
57.06857	0.4
57.07076	4.1
62.01977	0.5
62.13375	0.4
67.05502	2.9
69.07080	2.4
69.76366	0.5
69.76687	1.1
71.08630	2.5
77.73142	0.4
79.05502	2.7
81.07048	5.5
83.08604	1.1
85.06532	1.8
88.99091	0.5
91.05486	1.1
93.07034	3.1
95.04964	0.4
95.08601	5.4
97.06485	0.8
99.08067	1.6
105.07009	0.9
107.08600	2.6
109.06517	14.2
109.10143	1.6
111.08083	1.0
119.08585	1.5
119.64895	0.5
121.06495	0.6
121.10112	1.9
122.07283	1.3
123.08064	24.6
123.11708	0.9
124.08426	0.9
131.08536	0.8
133.10117	1.9
135.08035	2.9
137.09641	0.9
145.10104	0.6
147.11711	0.5
159.11621	0.5
163.14732	0.6
165.12723	1.1
165.16335	0.5
167.14244	0.7
173.13371	0.6
177.16422	0.4
177.48619	0.4
179.14299	100.0
180.14638	3.2
193.15860	2.6
219.87775	0.5
233.19003	0.6
293.21057	2.3
331.26248	2.6
349.27353	99.3
350.27670	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03942	0.2
55.01865	0.3
55.05511	2.1
57.06861	0.3
57.07075	2.8
64.94692	0.2
67.05499	2.7
69.07066	3.8
69.98289	0.5
71.04986	0.5
71.08621	1.5
79.05486	1.7
81.07050	4.2
83.04967	0.4
83.08604	0.9
85.06548	1.2
89.05984	0.3
91.05469	1.0
93.07043	1.9
95.04949	0.3
95.08607	3.8
95.14857	0.2
97.06531	0.6
97.10160	0.4
99.08072	0.8
105.07027	1.3
107.08598	2.5
109.06511	9.6
109.10153	1.3
111.08065	0.7
119.08570	1.5
121.10136	1.6
122.07272	1.1
123.08060	25.9
123.11681	0.8
124.08363	0.5
125.09597	0.3
131.08565	0.5
133.10115	1.0
134.46808	0.2
135.08055	2.8
135.11685	0.6
136.08464	0.3
137.09633	1.3
137.13167	0.3
145.10109	0.6
147.11703	1.2
149.09610	0.4
149.13243	0.7
151.14807	0.3
159.11586	0.4
161.13271	0.6
165.12718	0.5
167.14267	0.5
179.14297	48.2
180.14662	1.8
192.14523	0.2
193.15901	1.1
233.19032	0.5
275.19672	0.3
279.19522	0.3
289.25143	0.6
293.21066	4.7
306.21423	0.3
307.22726	0.3
331.26321	2.5
349.27347	100.0
350.27698	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01852	0.6
55.05298	0.4
55.05509	4.3
57.07068	1.9
63.80962	0.3
67.05499	4.3
69.03409	0.4
69.07059	8.6
69.07439	0.4
69.36134	1.9
69.36426	0.6
71.04968	1.6
71.08628	0.7
73.06548	0.5
76.34075	0.4
79.05492	3.1
81.07051	7.5
83.04993	0.6
83.08624	3.2
85.06532	1.0
91.05461	1.6
93.07023	3.5
95.04958	0.7
95.08606	6.0
96.08919	0.4
97.06512	1.2
97.10167	0.8
98.22707	0.7
98.23375	0.6
99.08064	0.7
105.07018	2.2
107.05906	0.3
107.08587	4.2
109.06513	10.8
109.10142	3.1
111.08080	1.8
119.08568	3.0
121.06449	0.6
121.10113	2.9
122.07304	0.8
123.08058	58.6
123.11677	1.5
124.08398	1.0
131.08571	0.7
133.10139	1.9
135.08026	4.0
135.11670	1.7
136.08830	0.7
137.09642	2.6
137.13168	0.5
141.65967	0.4
142.25928	0.4
145.10162	0.9
147.11674	1.9
149.09581	1.1
149.13242	1.0
151.11160	0.5
159.11700	0.7
161.13197	0.6
163.11263	0.4
164.72948	0.4
165.12729	0.6
167.14307	0.4
173.13274	0.5
179.14294	20.9
180.14635	1.2
233.18935	0.6
239.67030	0.3
275.20096	0.9
279.85147	0.4
281.20975	0.4
289.25241	1.1
293.21066	12.5
294.21503	1.0
303.26831	0.4
331.26270	3.3
349.27341	100.0
350.27664	7.9
350.86337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05513	4.4
57.07077	3.0
65.30871	0.3
67.05502	5.7
69.03416	1.0
69.07061	6.5
71.04989	0.7
71.08624	0.5
79.05494	3.5
81.07054	9.5
83.04974	1.8
83.08611	1.5
85.06512	0.6
91.05479	2.9
93.07041	7.4
95.04967	1.1
95.08021	0.7
95.08600	10.7
97.06570	0.4
97.10166	0.4
105.07027	4.4
107.04961	0.3
107.08589	10.8
109.06512	1.6
109.10154	4.2
111.08117	0.6
117.07019	0.8
119.08574	10.8
121.06495	1.4
121.10132	8.0
123.08058	5.7
123.11692	1.3
131.08565	1.6
133.10127	5.5
134.10461	0.4
135.08040	5.6
135.11687	2.9
136.08855	1.4
137.09627	3.5
137.13211	2.2
145.10129	2.2
147.08043	0.4
147.11681	2.5
149.09605	4.5
149.13274	1.4
158.55325	0.4
159.11670	1.1
161.09654	0.5
161.13240	3.0
163.11171	1.2
163.14810	2.7
165.12727	2.1
173.13231	1.7
175.14804	2.2
177.12767	1.7
177.16377	0.5
179.14305	5.6
187.14877	0.5
189.16286	0.4
191.14299	4.4
207.64804	0.4
229.19591	0.7
233.18991	0.4
258.47812	0.3
275.07019	0.4
275.20166	0.5
285.25818	1.5
303.26801	18.5
304.27100	1.3
313.25247	1.0
323.19107	0.5
331.26276	100.0
332.26617	7.9
338.76221	0.4
338.84229	0.4
349.07028	1.3
349.27307	4.0
367.17477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
50.16250	0.4
55.01865	0.5
55.05266	0.5
55.05511	6.5
57.03436	0.6
57.07075	4.5
65.03926	0.5
67.05499	6.9
69.03400	1.0
69.07066	14.0
69.78473	1.5
71.04983	0.5
71.08626	1.0
72.24466	0.4
79.05483	4.7
80.59640	0.5
81.07055	8.2
83.04990	2.4
83.08620	5.7
85.10146	0.5
91.05471	3.3
93.07039	10.0
95.08603	7.3
97.10153	0.8
99.54263	0.4
105.07018	5.0
107.08586	14.5
109.06535	2.0
109.10159	3.2
111.08051	0.8
117.07027	1.0
119.08571	9.8
121.06509	2.9
121.10137	8.4
123.08064	6.6
123.11687	1.7
131.08540	1.8
133.10127	8.6
135.08049	10.0
135.11673	5.8
136.08879	2.8
137.09628	2.2
137.13287	0.9
145.10109	3.8
147.07985	0.4
147.11668	3.3
149.09624	5.5
149.13242	2.3
151.11174	0.5
159.11690	2.6
160.62192	0.5
161.09633	0.5
161.13260	1.7
163.11183	1.7
163.14804	3.0
165.12746	0.6
173.13298	1.8
175.11232	0.6
175.14816	3.3
177.12700	2.3
177.16400	1.3
179.14265	4.1
184.66254	0.5
189.16376	1.1
191.14285	8.0
191.17973	0.8
193.15854	0.4
201.16330	0.7
203.17944	1.7
205.15918	1.4
215.17929	0.7
219.17413	1.5
219.21167	0.9
228.87807	0.4
233.19028	0.7
247.20505	0.9
275.20081	1.5
275.27322	1.8
285.25729	1.0
289.21710	0.6
294.44888	0.4
303.26825	11.0
304.27042	0.8
313.25375	0.9
331.26276	100.0
332.26675	6.9
349.23395	0.7
349.27267	1.2
369.67859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20953	4.4
55.05516	8.6
55.25870	4.4
55.54769	4.7
56.03425	3.8
57.03439	8.8
65.76895	4.9
67.05498	17.8
69.07073	6.9
69.49790	19.7
71.08607	6.1
79.05503	14.7
81.07040	25.1
84.72296	3.9
85.06548	4.2
88.78136	4.8
89.00385	4.4
91.05490	14.6
93.07043	15.8
95.08599	17.4
98.23000	16.7
105.07054	11.4
107.08600	8.9
108.67391	4.5
109.06522	7.0
109.10180	7.0
109.13385	4.2
119.08574	11.5
123.08068	11.5
131.08562	6.9
133.10237	7.2
145.10132	6.6
147.11652	5.4
159.11726	8.2
179.14319	29.9
205.06483	8.9
207.08054	4.6
217.06473	6.7
218.07024	4.8
219.08093	10.9
219.17523	14.5
220.17645	5.5
233.06056	9.6
235.07547	9.4
246.06781	7.7
247.07529	18.1
248.08113	4.9
258.54892	4.6
261.05389	9.2
262.06113	6.0
263.07034	10.3
275.07022	10.2
275.20102	8.1
276.07367	9.2
277.08521	6.4
279.10175	11.9
289.04987	7.0
291.06540	17.5
292.07349	8.3
293.08109	6.5
305.07928	10.1
306.08447	7.7
319.06018	10.1
320.06583	5.4
321.07376	10.4
323.09210	5.9
332.06723	6.3
349.07028	15.5
349.19821	15.0
349.23749	10.5
349.27353	22.6
350.07620	100.0
350.20041	8.4
351.08405	13.6
351.21429	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30144	0.9
53.33746	1.1
55.05517	1.2
56.96585	1.7
57.03431	1.0
61.02919	1.3
65.03958	4.5
67.05511	1.0
68.99792	1.4
69.03428	4.6
70.06582	3.2
70.28728	1.3
70.29043	1.1
70.99684	0.9
81.03405	2.2
83.04987	2.7
85.02902	13.3
91.03964	1.0
92.62392	0.9
93.03409	3.2
97.02899	5.3
98.97582	7.2
99.97901	1.5
106.16047	0.9
110.97565	1.6
111.04444	25.8
116.98629	3.4
118.08660	2.1
121.03997	2.7
127.03934	1.6
136.07550	1.4
137.05998	6.2
139.03899	74.3
140.04286	1.6
145.04926	1.7
156.04192	2.7
158.99683	1.9
171.06522	100.0
172.06859	1.6
177.00806	1.3
178.56740	1.0
218.04932	1.5
219.01855	2.0
219.11360	1.4
233.14326	1.7
236.06006	1.1
237.02814	1.7
238.03110	2.0
248.05063	0.9
261.05496	1.4
322.08765	2.6
350.08969	6.9
356.16263	0.9
368.09390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62274	0.9
55.01875	4.6
55.05505	5.7
60.04534	0.9
65.11633	0.9
67.05503	12.0
69.03422	2.9
69.07088	1.6
70.06596	6.2
71.04993	5.7
72.08155	1.6
79.05491	16.2
81.03419	1.0
81.07070	4.7
83.04986	2.6
83.08631	1.0
84.08128	1.2
85.02892	4.7
85.06548	9.4
86.09728	1.3
87.04464	2.5
91.05470	5.6
93.07043	9.9
95.04971	1.7
95.08601	1.0
97.02886	3.2
97.06519	1.1
97.10133	1.9
98.06089	1.0
99.04455	11.9
101.02379	1.4
105.07010	1.7
106.06638	1.0
107.04947	8.0
107.08601	25.8
109.02904	0.9
109.10140	4.3
111.04450	6.1
117.07020	10.2
119.08597	1.4
125.09649	8.2
135.08047	27.9
135.11659	6.5
137.21696	0.9
143.10664	1.3
153.09102	46.3
153.12744	1.3
154.09447	1.6
161.13383	0.9
171.10165	100.0
172.10493	3.1
175.08748	1.3
179.10556	0.9
213.39806	1.0
224.50323	0.9
242.90382	1.0
255.08778	0.9
288.18030	1.8
332.12866	0.9
350.16544	1.4
350.20554	3.6
351.10684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
54.23326	0.6
55.01870	3.8
55.05510	6.3
57.03437	1.3
59.57611	0.8
61.02909	1.2
67.05499	7.8
69.03426	2.1
69.07040	1.5
70.06585	5.1
70.45615	1.3
71.04995	4.7
72.08136	1.1
73.02911	1.3
79.05489	15.5
81.03387	1.5
81.07042	4.5
83.04968	2.7
84.04495	1.0
84.08145	0.8
85.02911	4.1
85.06548	7.4
86.09709	1.4
87.04437	2.4
91.05464	2.9
93.07037	8.4
95.04950	1.7
97.02871	3.3
98.97572	1.1
99.04456	9.7
100.64031	0.7
104.76576	0.7
105.03709	1.0
105.07015	1.6
107.04953	6.6
107.08588	25.7
108.08887	0.9
109.06461	1.2
109.10139	2.7
111.04440	4.1
111.08093	1.5
117.07029	8.6
119.08603	0.7
120.08089	1.0
125.09633	8.7
127.03849	0.9
135.08043	26.7
135.11685	5.7
136.08383	1.1
137.82851	0.7
143.10709	1.2
153.09099	44.3
154.09451	1.8
171.10153	100.0
172.10475	3.0
241.95985	0.8
256.11942	0.8
256.53934	0.9
288.17938	1.5
295.72751	0.7
332.19864	0.8
350.16318	1.7
350.20624	2.8
351.10532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16512	0.8
52.85930	0.9
54.03450	1.0
55.05498	3.9
56.05032	31.6
57.03404	1.1
58.06598	1.0
60.04511	4.2
62.46947	0.7
65.89117	0.9
67.05491	1.7
69.03423	2.1
69.07033	2.5
69.21662	3.3
69.22073	1.7
70.06587	30.8
71.04980	3.5
72.04489	0.9
72.08151	22.1
74.06081	4.8
79.05482	3.8
81.07059	9.4
82.02924	3.5
82.06568	1.1
83.07391	1.6
83.08595	1.6
83.33730	0.9
84.08141	17.1
85.02919	5.4
85.06544	1.6
86.09698	14.8
88.07607	1.8
89.58420	0.7
91.05476	18.1
93.07037	16.1
94.06555	1.8
95.04954	1.6
95.08611	6.9
96.08117	3.5
97.02869	1.0
97.06509	1.2
98.06052	9.7
99.04420	1.0
100.07664	0.9
100.71530	0.9
103.05461	1.1
105.07026	3.0
106.06565	5.9
106.07270	1.2
107.08025	1.1
107.08596	10.8
108.08112	5.9
108.08794	1.1
109.08922	1.3
109.10168	1.9
110.09695	5.5
114.09199	1.7
115.08669	1.9
116.07092	11.7
117.05500	2.1
118.06526	3.1
119.08578	1.7
120.08110	5.3
120.96385	0.9
122.09645	1.8
125.02342	0.9
126.09174	8.1
127.12291	4.8
131.04935	6.5
131.08562	4.1
132.08051	2.4
133.10100	1.0
134.09669	1.6
135.11687	17.8
137.13237	2.5
142.04967	3.8
144.08063	1.7
145.04953	1.8
149.09601	1.4
153.12746	2.5
157.09755	1.3
157.13350	8.6
158.08124	37.2
160.11209	100.0
161.11586	3.5
162.09323	0.9
163.05960	0.8
166.08603	0.9
167.11757	1.5
168.10150	2.6
171.13705	0.8
185.12845	5.9
193.13397	1.3
211.13318	1.3
212.16310	1.3
218.15379	1.0
224.16451	3.4
227.13879	1.5
229.11905	1.1
236.16414	2.5
238.18007	8.7
244.16847	1.0
245.14937	17.0
246.11252	2.5
246.15416	1.5
246.18683	0.8
247.07683	1.0
262.09738	1.0
262.17889	5.6
264.19666	2.3
273.16089	1.1
275.06915	1.0
281.22205	19.8
288.12454	1.1
291.09833	1.0
297.13315	2.3
319.09378	0.9
332.19058	1.5
333.17975	1.8
333.25458	1.7
350.20673	61.9
350.27301	10.9
351.12488	3.9
351.21069	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05504	2.9
56.05035	22.5
58.06592	1.5
60.04245	0.8
60.04525	9.7
67.05448	0.7
68.05003	1.2
69.03404	0.7
69.95802	0.8
69.96127	1.3
70.06590	21.0
71.04983	0.7
72.04510	4.6
72.07798	1.0
72.08155	14.4
74.06063	3.2
76.11615	0.6
79.05475	1.4
80.05016	1.1
81.07056	4.1
82.06566	2.6
83.07341	1.0
84.08144	31.8
85.02888	0.7
86.06052	1.9
86.09710	4.6
88.67619	0.6
91.05479	20.0
91.08730	0.7
92.05788	0.8
93.07027	1.5
94.06564	0.7
95.08575	1.1
96.08110	1.7
97.06510	0.7
98.06050	3.3
102.05524	1.7
103.05466	2.0
105.03747	1.1
105.07033	2.4
106.06562	3.6
107.08598	0.8
108.08125	3.3
109.08872	0.7
110.09675	0.9
112.07607	0.9
114.09174	1.3
115.08691	5.3
116.07090	37.5
117.06612	2.8
118.06536	1.6
119.08558	1.0
120.08107	6.1
122.06436	1.0
124.07619	0.7
125.10766	1.1
126.09156	30.5
131.04936	7.6
131.08560	2.5
135.10452	1.9
140.07028	1.1
143.08212	1.0
143.11778	0.8
144.08080	1.3
146.09625	1.9
148.07555	1.0
149.09558	0.8
153.09091	1.0
153.12762	1.8
158.08372	1.0
158.09671	5.0
160.11212	100.0
161.11557	3.1
167.11797	1.6
169.09760	1.5
171.11412	2.2
178.15984	1.0
184.73729	0.6
185.12846	12.5
188.10544	0.8
189.13879	1.5
191.08545	0.8
196.17021	1.1
203.11789	2.4
204.10222	3.9
207.11235	1.4
221.12846	3.0
231.14905	4.1
233.16496	1.0
234.16965	0.7
252.15939	1.2
288.18042	2.1
290.18594	7.6
314.19675	1.1
332.20480	1.7
350.20743	80.1
351.21255	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.05507	6.7
57.37243	2.1
61.02924	2.6
67.05505	6.0
69.03424	5.3
69.07066	5.5
69.43335	6.2
70.06586	18.6
71.04991	2.0
72.08160	10.5
79.05501	13.5
81.03442	2.9
81.07036	9.2
84.08137	2.4
85.02901	19.7
86.09689	2.3
91.05474	16.0
93.07045	73.1
94.06567	2.2
95.04963	6.0
95.08603	22.3
96.08148	4.1
97.02892	5.7
97.06513	5.5
99.04412	2.4
105.04467	1.9
105.07021	5.1
107.08585	100.0
108.08109	6.4
108.08879	3.5
109.02879	2.2
109.06503	1.8
109.10155	4.4
110.09667	9.4
119.08601	1.8
120.08083	3.9
121.10123	1.7
122.09674	2.6
127.03921	1.9
127.12350	5.0
132.04498	1.6
135.11682	72.2
136.12013	4.7
145.05005	3.5
147.11682	1.8
153.12729	17.3
155.18689	1.7
166.74432	1.5
211.13303	4.9
212.16582	2.3
224.16402	3.4
236.16360	4.7
238.17960	14.4
242.46785	1.7
262.18008	7.3
281.22180	22.0
282.22272	1.7
333.25183	2.1
350.20172	2.4
350.27930	15.9
351.14291	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01859	0.7
55.05511	5.2
56.05830	1.5
57.03405	0.8
57.07074	3.0
67.05505	8.6
68.05824	1.2
69.03394	1.0
69.07060	6.7
69.91544	1.5
70.07390	2.0
71.04989	1.2
79.05489	7.0
80.05827	1.0
81.07049	14.3
82.07368	3.0
83.04962	2.2
83.08609	2.5
85.06547	1.3
89.13818	0.5
91.05479	6.1
92.05793	1.3
93.07037	13.2
94.07368	2.3
95.04967	2.6
95.08017	1.0
95.08596	14.3
96.08948	4.3
97.06516	1.2
98.23383	1.0
105.04528	1.0
105.07022	12.1
106.07346	1.8
107.04958	3.6
107.08594	20.1
108.08916	5.7
109.06506	3.4
109.10143	6.3
110.06844	0.9
110.10484	1.7
117.07028	2.5
119.08578	11.0
120.08890	4.1
121.06496	6.2
121.10141	9.8
122.06789	0.7
122.10464	4.4
123.04427	1.4
123.08048	7.2
123.11700	4.0
124.08412	2.5
124.12051	0.8
125.05965	1.1
129.06979	1.4
131.08556	4.7
132.08876	0.9
133.06496	1.7
133.10130	9.7
134.10439	3.1
135.08046	6.4
135.11679	5.0
136.08325	2.7
136.12027	2.0
137.09666	3.0
137.13226	1.9
137.67490	0.5
138.09984	1.2
138.13599	1.7
139.07516	3.6
141.05443	1.5
143.08580	2.8
145.06441	1.0
145.10103	4.6
146.10408	1.3
147.08102	3.4
147.11693	3.0
148.11977	1.7
149.05972	2.2
149.09595	3.9
149.13199	0.9
150.09970	2.7
150.13606	0.9
151.07549	1.0
151.11243	0.9
155.08528	1.1
157.10161	3.6
159.08029	2.5
159.11671	2.4
160.12004	1.4
160.79637	0.7
161.09583	0.7
161.13252	2.4
162.13574	2.4
163.07524	1.7
163.11226	2.0
163.14862	2.7
164.15164	2.7
165.09106	1.5
165.12793	2.2
166.13062	1.4
169.10135	1.9
170.10947	0.6
171.07979	0.6
171.11691	2.6
173.09622	1.0
173.13226	2.8
174.13588	1.4
175.07564	0.6
175.14827	1.7
176.15158	1.7
177.09084	2.1
177.16498	0.7
178.13136	0.7
179.14285	3.4
180.14597	3.0
181.08633	1.0
181.10150	0.8
183.11749	0.9
184.35938	0.5
185.09572	0.9
185.13309	1.8
187.14740	0.8
189.09126	0.7
191.14320	4.3
192.14651	3.9
195.11690	1.1
197.13222	1.7
199.11206	0.7
200.80420	0.6
201.09116	1.3
209.13187	0.9
211.14812	1.5
213.12744	1.4
215.14394	0.7
230.19734	0.6
231.13849	0.9
239.14346	3.5
251.17967	1.1
257.15375	6.9
269.18939	1.8
279.17340	1.9
297.18481	10.6
303.26852	1.1
304.27167	19.0
305.27429	0.8
314.25668	1.5
315.19540	1.3
319.09619	1.1
332.26627	100.0
333.26956	3.8
350.07565	3.3
350.27524	4.0
351.08170	0.7
351.12177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.269
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
51.96528	0.2
53.03939	0.6
55.01860	0.3
55.05514	1.9
56.05057	0.3
57.06818	0.3
57.07074	3.8
67.05508	3.2
68.05000	0.3
69.07069	2.5
69.98895	0.8
70.45643	0.3
71.04998	0.4
71.08638	3.6
73.10278	0.3
79.05494	4.8
80.05040	0.3
80.05826	0.3
81.07060	7.7
82.06578	0.3
82.07343	0.3
83.08620	0.7
85.10194	2.2
89.06029	1.6
91.05478	1.1
93.05785	0.6
93.07052	2.4
94.06576	3.1
94.07222	0.5
95.04977	0.4
95.08600	4.0
96.08131	1.2
97.06534	0.4
97.10189	0.3
98.22813	0.3
99.11710	0.3
105.07056	0.9
106.06583	0.5
106.07352	0.4
107.07315	0.9
107.08597	1.1
108.08121	20.1
109.06510	0.6
109.10146	1.0
110.06796	0.4
110.09686	1.6
117.46090	0.2
119.08554	0.6
120.08115	2.3
121.08881	1.9
121.10108	1.3
122.09672	10.9
122.10551	0.7
123.08092	2.1
124.07621	0.3
124.08412	0.9
124.11221	0.3
125.08585	0.3
131.08556	0.5
133.08731	0.5
133.10069	0.4
134.09637	1.4
135.11649	0.5
136.07535	0.5
136.11220	0.9
138.09142	4.3
138.12787	0.7
145.10149	0.6
146.09647	1.2
147.11737	0.4
148.11176	0.7
149.09502	0.3
150.09158	0.8
151.09663	3.2
152.10724	2.8
160.64612	0.3
162.12791	1.0
164.10721	6.5
164.14371	0.4
166.15950	0.6
171.11893	0.3
175.13731	0.3
176.14293	0.4
178.12236	0.4
179.14278	1.7
180.14705	1.4
184.13187	0.3
190.39993	0.3
192.13785	0.4
193.14621	0.7
193.57805	0.3
194.15376	3.2
208.16965	0.8
218.19032	1.0
246.18576	4.3
248.20126	0.3
250.18024	0.4
252.19640	0.4
262.17929	0.5
264.19583	9.5
265.19836	0.6
276.19620	0.9
292.18994	0.3
293.19504	0.5
294.20651	6.5
295.21280	0.3
306.24124	0.4
332.25858	1.7
333.29993	0.9
350.26926	100.0
351.27264	7.4
356.98544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71204	2.9
94.93016	3.3
118.08657	4.4
156.04224	26.0
175.67122	2.1
178.22902	2.1
205.13924	2.4
251.01936	6.7
325.13177	2.7
326.22058	2.3
351.02573	5.3
351.06863	100.0
352.07257	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0866
Annotation	Jayantinin
Peak:m/z	Relative Intensity
51.11136	0.3
69.41171	1.3
85.86185	0.2
89.93831	0.3
98.23325	0.7
130.12343	0.3
163.52388	0.3
176.06277	0.4
177.07027	1.1
178.07785	0.8
189.06989	3.4
190.07629	0.4
191.08580	0.5
194.07272	1.4
202.07742	0.5
203.08549	0.5
204.05911	0.3
205.06487	3.5
206.07277	4.2
207.07907	0.6
208.08899	0.3
217.06508	6.0
218.07249	2.0
219.08022	1.7
220.05339	0.5
220.08623	0.3
221.06021	0.6
221.09492	0.3
222.06760	2.2
223.69189	0.2
231.08083	0.8
232.05252	0.9
232.08685	0.3
233.05963	2.5
234.06755	14.5
235.07358	2.2
236.08261	0.5
237.09087	2.8
245.05984	10.0
246.06763	3.9
247.07527	3.7
248.04518	0.3
248.08315	1.1
249.05516	0.7
249.09116	11.2
250.06274	2.9
250.09448	1.1
251.07001	0.4
259.07620	0.3
260.04825	0.4
261.05515	1.6
261.09012	0.6
262.06281	15.9
263.06787	2.4
264.07837	1.1
265.08606	3.7
266.08878	0.3
274.06274	0.4
275.07037	5.1
276.07681	0.9
277.08600	27.0
278.05771	2.5
278.08951	1.7
279.06311	0.4
279.10059	1.2
289.04965	1.6
289.08582	2.0
290.05756	4.8
290.08911	0.5
291.06473	1.6
292.07144	1.4
292.22626	0.5
293.08081	5.7
294.08420	0.5
303.06540	4.2
304.06821	0.4
305.08136	4.9
306.05255	1.8
306.08652	0.9
307.09634	16.1
308.09836	1.6
318.05246	0.5
319.05850	0.3
321.07578	17.6
322.08087	1.3
323.09094	0.7
333.07562	3.9
350.20132	0.5
351.08643	100.0
351.21176	7.8
352.08960	8.2
352.21329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
50.35278	0.3
51.02386	0.7
53.03934	0.7
55.05508	0.3
65.03948	0.3
67.05508	0.7
69.03442	0.2
69.07063	0.3
69.12784	0.5
69.13191	1.3
77.03917	2.2
79.05493	6.1
81.07043	0.7
85.02896	0.3
89.80097	0.3
91.05498	0.7
93.07050	0.5
95.04968	3.1
95.08611	0.5
102.50323	0.3
103.05449	0.4
105.03404	2.2
105.04510	1.3
105.06998	0.3
113.00035	1.3
115.05455	7.3
117.07000	1.1
125.09679	0.3
127.05450	0.8
128.06221	0.6
129.06996	1.1
135.04414	100.0
136.04736	3.9
140.16211	0.3
143.04912	4.3
144.00481	0.3
144.05251	0.3
145.06482	0.6
147.04384	0.5
151.03841	0.3
155.04903	1.4
159.04420	0.3
165.41072	0.3
169.02623	1.5
173.05994	3.7
174.06407	0.4
178.07767	0.3
185.05978	38.7
186.06342	1.9
189.07016	1.1
190.07721	0.8
191.08545	2.7
199.03879	0.4
201.05534	0.5
205.06639	0.3
209.05928	0.6
217.06480	0.8
219.08078	2.9
219.17482	1.0
220.08182	0.3
227.03407	0.9
229.04959	31.6
230.05318	1.9
235.07381	0.3
247.07602	2.6
249.09145	1.0
262.06262	0.8
263.07059	0.5
267.06564	0.5
275.07034	2.6
276.07581	0.4
277.08508	1.7
291.06403	0.4
292.07272	0.4
303.06647	0.5
305.08090	1.0
306.08627	0.4
307.09647	1.7
323.09079	0.4
333.07315	1.7
333.20413	1.2
351.08627	7.2
351.21381	17.8
352.08948	0.7
352.21362	0.4
352.25189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49937	0.7
69.50333	1.5
70.06593	0.8
72.08127	0.4
79.05470	0.6
84.07673	0.5
84.08145	6.4
85.02880	0.8
95.04954	0.5
95.08599	0.4
95.77957	0.4
96.20277	0.4
98.22661	0.7
101.04195	0.5
107.04958	7.0
110.07174	0.9
120.08080	0.4
121.06517	0.7
123.04408	0.5
125.04211	0.5
130.08649	0.7
143.04948	1.0
145.06465	0.6
153.79329	0.4
161.05989	1.2
164.07098	0.5
173.80063	0.4
176.35423	0.4
187.02440	0.5
205.03474	0.5
218.84967	0.4
235.11867	0.6
255.10182	1.5
270.09891	1.1
272.12900	2.3
288.10873	1.1
314.42322	0.4
333.14169	0.6
333.19711	0.5
351.10477	100.0
352.07968	1.4
352.10825	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18546	0.5
53.03954	0.4
55.05497	0.6
56.05037	2.5
67.05495	1.9
68.04150	0.5
69.07070	0.7
70.06581	2.0
70.78041	0.6
72.08124	0.5
73.74731	0.5
79.05492	3.5
81.07057	0.9
82.06570	1.9
83.07358	0.7
84.08138	100.0
85.08469	1.6
86.09703	1.1
87.02695	1.0
91.05473	1.8
93.07037	4.4
95.04951	0.6
95.08621	2.4
97.01112	1.1
97.02876	0.6
97.06500	0.7
97.08865	0.5
99.02670	1.4
101.04243	3.5
102.96756	1.1
104.98310	4.3
105.07047	0.5
107.04958	1.6
109.10149	0.6
110.06013	1.2
110.07173	2.9
111.02666	0.7
113.04270	0.7
113.06030	0.5
114.09121	0.6
120.08125	1.0
121.06489	4.3
123.08064	0.7
125.04216	3.9
125.09550	0.6
127.05803	1.0
128.07095	1.1
129.10240	1.6
130.08624	8.1
138.09128	1.0
139.07570	0.6
145.01428	0.8
147.11292	2.0
153.03670	1.4
157.06767	0.9
159.03024	2.1
161.05888	0.6
162.10367	0.7
177.04065	2.4
177.05392	0.5
187.02452	9.8
187.03961	0.9
190.08650	0.6
192.13866	1.2
204.13789	1.3
205.03508	7.7
205.14572	0.6
206.15381	1.7
215.62367	0.5
235.11929	1.9
255.10211	0.7
269.18597	1.4
270.09793	25.3
271.10068	1.9
287.12540	1.4
288.10880	7.3
333.12976	27.5
333.19269	1.2
334.13391	2.0
350.98752	0.7
351.10370	16.7
351.14108	46.3
351.20062	5.4
352.08087	0.7
352.10834	0.4
352.14560	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.0
56.96568	21.9
57.03426	5.6
67.05502	28.8
69.07059	12.4
69.10961	2.6
70.41624	2.8
70.77328	5.9
71.08649	4.2
75.04489	4.3
79.05489	48.8
81.07052	36.7
83.08588	5.2
88.74593	2.7
91.05474	44.3
93.07037	60.7
95.04980	8.0
95.08601	19.6
97.06507	4.2
98.94411	3.2
99.08091	7.5
105.04550	3.6
105.07027	46.0
107.08578	32.6
109.06496	3.9
109.10163	10.5
110.97581	3.8
117.07043	15.7
117.07716	2.9
119.08590	35.4
121.10146	24.1
129.07019	10.2
131.08577	17.8
133.10129	38.9
135.11702	28.6
143.08583	6.4
145.10110	16.0
147.11693	35.3
148.12109	2.7
149.13234	10.9
157.10182	8.9
159.11667	16.4
161.13239	21.2
162.13663	3.3
163.11104	3.5
163.14766	4.4
171.11687	13.0
173.13274	10.2
175.14781	11.4
185.04742	2.8
185.13252	8.8
199.06425	6.4
199.14742	6.1
207.08022	3.4
213.16391	4.0
217.07494	3.6
219.08173	5.0
231.21042	7.0
232.08763	3.5
235.07399	5.2
241.19510	20.1
246.06844	4.0
247.07472	9.4
248.08208	3.7
255.09039	12.9
259.20569	72.9
261.09064	7.4
262.09903	10.7
263.06924	7.1
269.10583	6.7
273.10071	6.5
274.06128	7.5
275.07037	9.8
276.07825	9.8
277.08356	12.5
277.21552	6.9
278.09402	9.5
289.08582	32.9
290.05731	3.7
290.09250	5.3
291.06339	4.3
293.08374	3.3
293.11655	19.4
303.06531	7.8
304.07367	20.7
305.08023	31.0
306.08649	6.4
319.09613	100.0
320.10342	48.3
321.06927	8.9
321.11096	14.6
333.17307	12.1
336.09818	7.5
351.08328	3.3
351.12213	85.3
351.18152	43.2
351.21872	8.2
351.24915	40.0
352.12552	5.2
369.19412	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75838	3.6
55.01868	4.5
55.05518	16.9
55.31538	3.7
56.96565	17.4
57.03426	4.9
57.07074	4.1
67.05505	30.0
69.07072	17.5
69.86086	6.9
69.86439	7.8
79.05491	26.5
81.07057	45.4
83.08607	8.4
91.05496	18.9
93.07035	36.3
95.04969	11.4
95.08622	27.5
98.23457	4.6
99.08122	4.1
105.07000	20.7
107.08582	17.8
109.06514	21.9
109.10148	13.3
111.60396	3.8
117.07069	7.3
119.08572	18.6
121.06488	5.4
121.10130	14.1
122.10519	4.6
123.08092	4.5
131.08505	8.8
133.10167	16.5
135.04457	5.8
135.08029	5.1
135.11700	7.3
137.09650	4.7
145.10115	11.2
147.11703	11.1
149.13243	7.4
155.63101	3.9
159.11673	5.2
161.13281	15.2
162.13812	4.2
163.11176	5.3
165.11281	3.3
165.12717	19.9
171.11855	5.0
175.14891	5.9
175.48579	3.5
199.06467	7.7
213.07852	5.7
219.87074	3.4
229.07510	7.4
231.09091	5.6
231.20998	6.4
233.05789	3.7
237.07913	4.8
241.19455	8.3
247.08072	6.3
255.09178	7.8
259.20529	22.4
264.34357	3.7
269.10629	18.3
276.07721	3.6
277.08423	5.3
277.21643	19.8
285.10095	10.0
287.11703	8.1
289.08597	8.8
289.21497	18.3
290.08820	4.0
293.11777	7.6
295.18927	4.8
303.06314	6.7
304.07239	8.6
305.07974	8.2
319.09637	42.5
320.10352	17.8
321.07315	7.2
321.11102	12.4
333.24155	5.0
351.08539	6.5
351.12173	30.3
351.21310	100.0
351.25314	68.0
352.21851	5.2
352.25607	4.7
369.19537	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35398	7.7
55.05503	18.9
56.96569	9.5
57.03434	18.3
57.07074	11.8
63.61854	7.9
67.05497	58.8
69.07078	19.4
70.06357	15.0
70.06665	9.0
70.14133	7.2
79.05489	68.5
81.07047	69.4
83.08608	7.3
91.05487	50.3
93.07050	87.7
94.24962	7.9
95.04980	10.0
95.08607	48.3
105.07012	59.5
107.08602	44.2
109.10162	15.5
117.06990	9.0
119.08579	46.1
121.10165	34.8
127.23793	7.9
129.06946	7.9
131.08536	15.2
133.10139	53.4
135.11707	57.4
137.05989	14.0
145.10072	13.2
147.11703	53.7
148.13594	7.4
149.13246	28.0
157.10110	9.6
159.11691	29.5
161.13293	28.5
163.14850	9.3
173.13318	9.9
175.14815	15.8
179.14294	11.0
185.13293	15.1
199.14822	13.7
212.85999	8.6
231.21153	9.4
241.19502	30.6
247.88438	8.0
255.09091	26.7
259.20535	80.9
269.10684	11.9
273.10098	14.5
277.18124	10.5
277.21643	18.5
320.10590	18.0
333.24548	15.0
351.12054	26.6
351.15347	25.7
351.19131	40.0
351.25266	100.0
352.16940	7.7
369.19452	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.29411	0.3
70.59478	0.5
96.77691	0.4
124.78205	0.5
168.20094	0.4
275.20300	0.7
280.11722	0.4
292.22766	0.7
307.63025	0.4
351.21399	100.0
352.21640	7.4
353.41245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.7
69.39085	2.9
81.07020	0.9
85.46063	0.6
91.05416	0.6
95.08632	1.0
103.27492	0.6
105.07017	1.1
107.08582	0.7
119.08569	0.9
130.80782	0.5
133.10155	1.0
165.45441	0.7
176.06219	0.7
189.06998	2.0
204.05699	2.4
205.06470	2.4
217.06435	3.0
219.08081	3.6
232.05278	2.0
233.05968	1.1
234.06741	2.3
235.07404	1.5
245.06061	1.7
246.06711	0.9
247.07533	6.7
254.51692	0.8
259.20581	1.0
261.05530	2.1
262.06226	8.6
263.06979	2.4
264.07745	0.7
275.07004	15.3
276.07520	1.9
277.08533	1.5
289.04913	2.4
290.05701	32.1
291.06168	5.7
292.07275	1.1
302.05505	0.8
303.06485	1.0
305.08002	5.0
307.09534	5.4
308.10089	0.7
318.05200	2.8
319.05981	4.7
333.07526	11.4
333.20337	15.3
334.07837	1.3
334.20642	1.0
336.06281	0.9
351.08621	68.3
351.21381	100.0
352.08911	6.8
352.21487	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
57.48743	0.6
69.23181	1.8
69.23576	1.2
92.19928	0.5
94.46140	0.6
140.42162	0.5
141.90117	0.5
348.65509	0.6
351.21405	100.0
352.21667	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79431	0.5
62.89874	0.5
67.05501	0.9
69.47716	0.5
79.05493	0.6
81.07043	0.6
84.03254	0.5
89.81728	0.5
91.05470	0.7
103.19439	0.4
112.37051	0.5
147.11800	0.5
205.06509	0.9
206.07127	0.5
220.08673	0.7
221.05818	0.7
233.05992	0.7
234.06642	0.6
235.07487	1.3
239.10750	0.6
247.07463	0.5
248.08397	0.8
249.05579	0.7
263.06958	0.9
272.85986	0.5
276.07932	1.2
291.06445	0.7
292.22775	1.2
307.06387	0.6
307.09601	1.2
319.05978	1.8
333.07440	0.7
333.20258	0.8
340.35583	0.5
351.08704	12.2
351.21384	100.0
352.09048	1.4
352.21530	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74568	0.9
53.28126	0.7
55.01884	0.8
55.05507	4.3
56.96570	7.9
57.03437	1.2
67.05511	9.5
69.07072	3.2
69.67782	2.7
71.05004	0.8
71.08635	5.2
79.05507	7.4
80.05018	2.6
81.03448	1.1
81.07063	7.9
83.04989	1.2
83.08621	2.4
91.05482	5.7
93.07040	8.0
93.19550	0.7
94.06597	1.2
95.04983	1.7
95.08588	5.0
97.06548	1.3
97.10168	1.5
97.96819	2.1
98.22900	2.1
98.23466	0.8
99.04849	0.9
99.08112	3.8
105.07018	5.0
106.40388	0.8
107.08591	5.0
108.08160	1.4
109.06505	1.5
109.10172	1.7
110.97559	1.5
111.08100	0.8
115.00750	0.7
115.97880	0.9
117.07050	1.6
119.08581	2.3
121.10159	1.9
125.09639	1.5
128.98639	1.0
131.08632	1.0
133.10147	3.2
135.11809	1.1
137.02785	1.0
143.08577	1.0
145.01740	1.8
145.10129	1.3
147.11681	2.0
149.13370	1.1
151.11215	2.4
159.11723	1.1
161.13293	2.7
163.02856	1.0
163.11172	2.0
165.12688	0.8
171.11819	1.1
179.14313	1.7
199.06400	1.0
204.06805	1.0
204.13823	1.0
222.14961	2.4
223.83411	0.8
224.16589	1.0
239.09560	0.8
240.10472	0.8
241.19403	1.3
259.20428	1.5
263.13217	8.3
274.21805	0.9
275.20102	1.8
277.21671	5.8
278.21866	0.8
279.10110	1.0
279.12939	1.2
281.14261	20.6
282.14520	0.9
292.22665	5.6
299.15396	1.0
304.15729	1.7
316.22742	0.7
333.17334	3.8
334.23825	3.0
351.08743	2.0
351.18219	21.8
351.21448	100.0
351.25217	6.3
352.18222	1.6
352.21701	5.3
352.25449	5.3
369.19479	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06926	0.7
55.05507	3.5
57.03442	1.8
63.27026	0.9
63.37942	0.8
67.05504	11.2
69.07056	3.9
70.16283	2.3
70.31546	0.8
71.04991	1.0
71.08644	1.6
76.05483	0.8
77.03925	0.9
79.05498	12.2
81.07056	12.3
83.08604	1.9
85.06551	1.2
91.05479	11.7
93.07042	18.2
95.04977	1.9
95.08614	9.6
97.06523	1.3
99.08110	0.9
100.01194	1.0
105.07021	14.9
107.08592	10.3
109.06507	1.3
109.10146	2.8
117.07030	3.6
119.08591	12.7
121.10162	8.3
123.11745	1.1
129.07014	2.4
131.08589	4.1
133.10129	11.2
135.11684	7.5
137.05988	3.1
137.09612	0.8
141.06923	1.0
143.08549	1.7
145.10129	5.7
147.11687	10.2
149.09595	1.1
149.13266	4.7
151.11185	0.9
155.08571	0.8
157.10138	2.4
159.11708	4.9
161.13242	8.1
163.11208	1.2
163.14896	1.9
171.11696	2.9
173.13303	1.8
175.14865	2.6
179.14354	1.0
185.13254	1.7
199.14928	0.8
221.11191	1.1
231.21063	1.1
241.19524	6.0
253.14088	5.2
259.17819	1.1
259.20587	22.6
271.13806	1.0
277.18005	1.0
277.21628	2.6
292.22473	1.8
307.09766	1.0
351.21420	100.0
351.25299	13.7
352.21564	8.1
352.25165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.29198	0.3
57.03444	0.4
63.46825	0.3
67.05508	3.0
68.90326	0.4
69.07061	1.2
69.74025	1.1
70.20635	0.4
79.05486	4.1
81.07060	3.5
83.08671	0.4
90.09014	0.4
91.05476	4.1
93.07040	5.4
95.08615	2.2
97.24037	0.4
98.22620	0.4
105.07020	4.2
107.08584	3.7
109.10152	0.9
113.09553	0.4
117.07013	1.0
119.08598	4.1
121.10168	2.8
127.57377	0.4
129.07045	0.7
131.08595	1.6
133.10109	3.3
135.11699	2.4
143.08574	0.6
145.10133	1.7
147.11691	3.3
149.02345	1.4
149.13280	1.6
157.10130	0.8
159.11739	1.0
161.13289	2.4
163.14865	0.5
171.11742	1.1
173.13313	1.0
175.14819	1.4
176.06346	0.4
185.13251	1.1
204.05836	0.5
205.06491	1.0
208.10699	0.5
215.27000	0.4
217.06636	0.4
227.03482	0.4
229.04987	0.5
231.21155	0.7
235.07549	0.5
241.19565	2.4
247.07535	1.0
259.20578	7.0
259.23166	0.5
260.20850	0.5
261.05515	0.5
262.06253	1.2
263.06885	0.7
275.07068	2.0
277.21637	0.6
279.06693	0.4
290.05728	4.0
291.06226	1.1
292.22733	0.5
302.89017	0.4
305.08167	0.8
307.09433	0.7
318.05490	0.5
319.05939	0.5
320.16183	0.4
333.07483	1.7
333.20367	19.0
334.20523	1.7
351.08780	8.6
351.21414	100.0
351.25116	5.5
352.08942	0.8
352.21600	7.5
352.25085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01874	5.2
55.05506	30.1
55.73496	2.0
57.03451	10.6
57.07074	3.8
61.55962	2.0
65.03957	2.3
67.05504	65.4
68.60594	2.2
69.03422	2.4
69.07069	28.2
69.40038	6.6
69.40437	5.3
71.05004	4.5
71.08641	7.1
71.19257	2.2
79.05495	60.8
80.05018	6.2
81.03427	6.9
81.07056	58.8
82.07402	3.2
83.04984	3.9
83.08617	12.8
85.06567	4.8
91.05477	51.4
93.07045	67.7
95.04959	13.1
95.08601	37.2
97.06516	4.4
97.10180	7.6
99.08109	7.7
105.04527	4.5
105.07027	55.7
106.07381	4.4
107.08588	45.9
109.06527	5.2
109.10172	17.9
113.66308	2.4
117.07017	15.9
119.08573	44.8
121.06505	3.1
121.10151	29.5
123.08074	4.9
123.11719	6.1
125.09678	3.0
127.05635	2.4
129.07001	12.0
131.08582	23.7
133.10130	40.8
135.08087	5.0
135.11684	32.4
135.12640	2.8
137.05981	6.9
137.09660	4.0
141.06999	7.9
143.08607	16.1
145.10101	22.5
147.11685	38.0
149.09619	3.3
149.13228	17.9
151.11198	7.7
155.08603	10.0
157.10127	8.5
159.11674	16.1
160.12001	2.1
161.13271	29.3
163.11215	4.8
163.14880	6.6
165.07062	4.9
165.12759	4.1
167.08589	8.1
169.10175	6.7
171.10408	2.4
171.11658	13.8
173.13255	12.0
175.14809	13.6
177.12749	3.9
179.08598	5.1
179.14413	2.6
180.09435	3.0
181.10170	9.3
183.11790	3.7
183.91183	1.9
185.05978	47.7
185.07576	3.6
185.13306	11.1
186.06284	2.6
187.14885	4.1
189.11247	2.6
189.12769	3.6
191.08531	2.5
192.13870	2.8
193.10109	3.7
195.11691	10.2
197.13344	4.2
199.14868	5.7
201.16373	2.9
204.13760	4.0
207.10037	2.6
207.11804	3.5
208.12639	2.4
209.13237	5.9
213.16463	2.9
217.19041	1.9
219.08131	2.5
221.13264	6.2
222.14932	2.9
223.14870	8.2
225.12689	2.6
231.21167	6.6
233.05907	2.8
235.14746	4.3
241.19511	22.5
247.07588	3.9
249.09146	3.4
253.15933	2.3
257.18991	2.4
259.20557	70.1
260.20911	4.2
261.05420	2.2
262.06287	2.7
274.21674	4.9
275.07050	2.2
275.20032	9.6
277.08633	5.0
277.21637	20.1
291.06659	5.0
292.22589	17.0
305.11938	2.4
307.09497	3.6
333.22095	9.3
334.24100	2.8
351.08881	10.0
351.21674	100.0
351.25247	42.6
352.25363	18.6
356.07410	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01864	5.0
55.05508	27.0
57.03432	28.5
57.07079	9.3
65.03947	2.1
67.05500	70.2
68.05833	1.8
69.03419	2.1
69.07064	26.1
69.24786	8.1
71.04977	4.3
71.08628	53.8
77.03910	3.5
77.07864	1.7
79.05485	61.0
80.05818	1.4
80.11073	1.4
81.03398	8.8
81.07051	70.0
83.04971	13.1
83.08615	17.2
85.06537	5.3
91.05473	45.4
92.05824	1.6
93.07037	81.9
94.07373	2.1
95.04967	15.0
95.08593	47.4
96.08946	2.7
97.06530	11.7
97.10170	7.3
99.08085	37.6
105.04507	2.7
105.07021	39.1
107.04973	9.4
107.08582	45.4
109.06537	8.5
109.10143	22.0
110.55982	1.4
111.08057	4.2
113.09629	4.4
115.05450	1.6
117.07005	11.0
119.08575	36.4
119.13873	1.3
121.06487	3.7
121.10133	42.4
123.08042	4.6
123.11691	3.9
125.09636	2.9
127.11141	1.8
129.06979	5.3
131.08546	10.7
133.10118	30.8
135.07932	1.4
135.11696	43.2
137.09592	7.5
139.11148	2.1
141.09134	4.2
143.08528	5.6
145.10118	12.1
147.11676	22.5
149.09595	2.8
149.13239	18.7
151.11166	22.0
157.10164	5.2
159.11696	10.3
161.13248	21.3
163.11174	7.9
163.14806	4.0
165.12759	4.3
167.10626	2.0
171.11673	7.7
173.13234	6.8
175.11212	2.2
175.14861	4.6
177.12749	4.0
179.14290	100.0
180.14635	7.0
185.13242	4.9
189.12781	3.7
195.13799	2.8
199.14813	4.6
213.16273	2.0
221.15422	4.1
231.17491	2.6
231.21146	3.7
235.16904	6.2
241.19502	9.9
256.26028	1.7
259.20560	30.9
260.20813	2.4
277.18576	2.9
277.21609	51.9
278.21939	2.9
288.99014	2.4
291.19336	2.0
295.22583	2.0
319.09525	3.6
321.98984	1.5
333.13672	2.4
333.24380	2.3
351.12555	2.5
351.25235	75.7
352.25397	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
53.87717	1.9
55.01857	5.0
55.05508	32.8
56.62510	1.8
57.03434	31.3
57.07065	5.6
62.32167	1.9
65.03918	2.8
67.05499	72.8
69.07063	25.2
69.13441	13.9
71.04974	4.2
71.08273	3.0
71.08627	36.3
77.03909	3.1
79.05487	76.5
81.03393	6.4
81.07047	74.9
83.04976	11.2
83.08614	18.5
85.06530	7.1
91.05471	52.9
91.06044	2.1
93.07037	89.7
95.04961	16.9
95.08598	53.8
97.06500	12.4
97.10167	3.8
99.08091	27.2
105.07018	50.3
107.04951	7.4
107.08591	48.2
109.06496	5.1
109.10146	25.4
111.08064	5.1
113.09644	3.3
115.65747	2.1
117.07028	11.8
119.08572	41.0
121.10136	41.2
123.08050	3.5
123.11707	5.4
125.09595	5.2
127.11217	2.2
128.06140	2.0
129.07001	4.6
131.08551	17.8
133.10126	34.0
134.10422	2.3
135.11679	46.5
135.12650	3.6
136.11969	2.6
137.09608	6.3
141.09138	3.6
143.08563	7.1
145.10144	14.3
147.11682	32.5
149.09616	3.7
149.13240	20.1
151.11169	15.5
157.10121	6.0
159.11687	15.5
161.13251	25.2
163.11188	7.1
163.14793	4.9
165.12741	3.6
167.10674	2.3
171.11703	8.3
173.13268	8.3
175.14821	10.2
177.12643	4.6
177.16220	2.7
179.14288	74.5
180.14682	4.7
185.13271	9.3
187.14830	6.9
189.00569	2.2
189.12706	3.0
195.13910	2.6
199.14821	5.3
203.14178	2.4
213.16371	2.4
221.15315	3.4
236.93124	2.7
238.53703	2.3
241.19487	16.3
249.22008	2.7
259.20587	51.2
260.20926	4.3
277.21625	45.7
277.24576	4.3
278.21866	4.6
333.13492	4.3
333.24182	3.3
351.21951	3.6
351.25256	100.0
352.25558	7.9
354.65033	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.05513	14.0
57.03411	5.9
57.07074	3.5
65.03944	2.9
67.05160	2.9
67.05500	41.6
68.22552	1.8
69.07066	11.1
70.07376	2.1
71.04986	3.4
75.04478	2.7
77.13330	1.9
79.05040	3.7
79.05490	60.2
81.07053	41.3
83.08621	5.9
83.81610	1.7
85.06520	3.9
85.63918	1.8
91.04940	3.9
91.05478	53.1
93.07044	68.1
94.07379	2.7
95.04968	4.9
95.08601	31.8
96.08951	1.9
97.06570	2.0
97.10149	2.7
99.08095	5.1
105.04516	2.7
105.06351	3.6
105.07029	60.8
107.08591	43.6
109.10159	9.2
111.08047	2.4
115.43237	1.9
117.07028	13.6
119.08575	51.6
120.08897	2.1
121.10142	29.9
123.11726	3.2
129.06987	6.1
131.08569	21.5
133.10126	51.4
135.11688	35.3
143.08559	7.8
145.10135	23.4
147.11671	47.4
149.09605	3.0
149.13255	21.1
151.11105	2.7
157.10098	8.5
159.11690	18.6
161.13261	28.1
163.11147	2.0
163.14815	5.9
164.93330	2.2
171.11662	12.9
173.13226	9.3
175.14809	12.1
177.12703	2.2
185.13240	12.3
198.40833	1.8
199.14836	5.6
213.16455	3.6
217.19576	2.7
231.17404	3.3
231.21045	7.8
240.34386	1.9
241.19524	29.5
242.19847	2.4
259.20566	100.0
260.20929	5.3
277.08533	2.2
277.21506	3.0
305.08032	2.6
319.09598	7.6
329.32797	1.8
333.24170	2.5
351.12357	3.2
351.25284	56.5
352.25522	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05513	5.7
57.03437	2.3
57.07075	0.7
65.03928	0.6
67.05153	1.1
67.05499	14.1
69.07072	4.2
71.08626	0.9
77.03917	0.7
79.05489	19.3
80.05015	0.9
81.07054	14.4
83.04987	0.8
83.08613	2.7
85.06551	1.2
91.05470	18.3
93.07038	24.7
95.04964	1.7
95.08599	12.0
95.43048	0.6
97.06534	1.3
97.10187	1.4
99.08090	1.8
103.12276	0.5
105.04507	0.9
105.07021	19.1
107.08591	14.7
108.08141	0.6
109.06528	1.9
109.10152	4.6
111.04382	0.8
113.09657	0.7
117.07011	3.5
119.06106	0.8
119.08578	16.8
121.06535	0.6
121.10139	12.8
121.10983	1.0
123.08063	0.8
123.11710	1.3
125.09584	0.8
128.06218	0.7
129.06972	3.3
131.08568	6.7
133.10121	15.7
133.11127	1.0
135.11682	11.4
137.05975	4.2
137.09627	0.8
141.07024	0.6
143.08562	3.2
145.10115	7.6
147.11678	14.6
148.12068	0.5
149.09602	0.8
149.13249	7.8
151.11191	0.6
157.10130	2.3
159.11687	6.0
161.09618	0.7
161.13239	10.3
161.14514	0.7
162.13647	0.7
163.11226	1.7
163.14845	1.9
165.12700	0.8
171.11691	4.5
173.13277	3.8
175.11218	0.7
175.14841	5.8
177.12752	1.3
185.13232	3.6
187.14841	1.1
199.14815	1.9
203.14493	0.6
203.18033	0.6
213.16437	1.3
217.19559	0.9
231.17587	0.9
231.21069	3.0
241.19498	9.6
242.19905	1.0
251.12564	1.5
253.14131	4.9
259.20557	31.2
260.20874	1.8
271.13898	0.9
275.20071	1.1
277.18015	2.3
277.21582	1.9
292.22760	3.3
327.16873	0.5
333.24036	1.2
334.23898	1.0
351.08698	1.5
351.21417	100.0
351.25333	22.3
352.21371	7.7
352.25519	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28926	2.6
52.23132	2.5
52.49940	2.5
53.03949	4.2
55.01871	7.0
55.05507	20.8
56.14849	2.5
56.96563	7.6
57.03429	11.8
57.07083	4.8
61.71766	2.8
64.42789	2.5
65.03931	2.4
67.05506	59.5
69.07072	18.9
69.51727	3.1
69.52066	11.4
71.04992	7.8
71.08619	8.1
76.37189	2.6
79.05502	65.3
81.07063	89.3
82.07410	3.5
83.04973	7.4
83.08612	10.1
85.06539	3.8
91.05486	46.8
93.07051	94.8
95.04967	12.9
95.08604	46.9
96.56840	2.7
97.06534	5.7
97.10159	4.3
99.08128	5.4
105.07037	51.0
107.08598	50.3
109.06520	19.8
109.10170	20.3
111.04461	11.9
111.08059	4.2
117.07041	9.0
119.08579	46.6
121.10165	44.3
122.51873	2.4
123.08069	3.8
123.11733	6.4
125.06028	3.4
125.09622	2.5
129.07024	4.2
131.08600	20.9
133.10135	44.9
135.08089	4.3
135.11707	40.5
137.05989	100.0
137.09573	6.3
143.08577	8.1
145.10115	22.5
147.11699	36.6
149.09618	5.4
149.13269	24.7
151.07594	3.5
151.11287	3.3
155.00983	4.5
157.10141	8.8
159.11711	21.1
161.09666	2.8
161.13272	21.3
163.11154	6.2
163.14900	5.1
171.11716	10.1
173.13293	8.2
175.11226	4.9
175.14827	10.8
177.52303	2.8
179.14392	6.0
181.12222	2.8
185.13264	10.2
189.12727	4.1
191.14365	3.9
199.14824	5.4
203.17972	5.7
213.16353	4.8
214.35304	2.6
217.19547	3.3
231.17448	7.2
231.21071	6.0
241.19528	30.5
249.09094	3.0
249.18507	10.8
259.20581	80.1
259.23175	5.4
260.20953	3.4
263.07306	3.8
277.17999	36.5
277.21606	14.5
278.05945	3.2
278.18396	4.1
279.10144	3.1
295.19000	6.1
320.10431	5.5
321.07516	3.9
321.11115	3.0
333.17416	8.9
333.24094	7.2
336.10065	4.9
343.68130	2.9
351.08499	4.8
351.12137	14.5
351.18292	7.9
351.21558	19.8
351.25345	70.8
352.25464	4.2
369.19489	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01869	5.6
55.05513	29.1
56.96566	20.0
57.03438	12.8
57.07071	5.3
57.75765	1.1
65.03916	2.1
67.05505	66.3
69.03421	2.2
69.06713	1.5
69.07066	26.7
71.04974	3.3
71.08633	27.1
71.95271	1.1
72.96008	1.1
77.03891	1.2
79.05493	37.1
80.04986	1.1
81.03399	4.5
81.07058	65.9
83.04970	5.7
83.08617	16.2
85.06532	3.1
91.04943	1.7
91.05480	31.4
93.07047	51.3
95.04416	1.1
95.04964	8.5
95.08609	46.8
95.21916	1.0
96.08936	1.1
97.06526	6.5
97.10178	9.6
97.96814	2.3
98.97557	2.5
99.08094	21.5
105.04510	1.7
105.07030	35.8
107.04940	2.4
107.08598	32.8
109.06504	6.0
109.10159	17.9
110.97550	2.3
111.08097	6.7
113.09631	2.1
115.00661	2.8
117.06995	6.0
119.08585	31.0
121.06526	1.4
121.10146	17.9
123.08037	4.2
123.11720	7.3
125.09578	4.7
128.98550	1.8
129.06937	3.6
131.08568	9.5
133.10127	21.5
133.98819	1.1
135.08043	1.7
135.11688	16.4
137.09651	5.0
137.13191	3.1
139.11163	2.3
143.08534	3.9
145.10106	8.6
146.99614	1.1
147.08064	1.3
147.10591	1.3
147.11688	20.9
149.09560	3.0
149.13263	10.3
151.10228	1.0
151.11200	11.0
151.14816	1.5
153.12730	1.5
155.03790	1.0
157.10057	3.6
159.11720	5.0
161.13258	23.8
163.11201	7.0
163.14767	4.2
165.12801	5.4
167.14258	1.3
169.05365	1.9
171.03264	1.3
171.11722	5.6
173.11774	2.3
173.13231	4.1
174.13539	1.0
175.11130	2.1
175.14809	10.0
177.12721	3.0
179.10555	1.2
179.14305	8.4
181.05345	1.5
181.12242	1.1
183.03288	1.1
185.04868	1.6
185.13249	5.5
187.14706	1.3
189.04341	1.3
189.12715	2.5
189.16408	1.2
193.15857	1.5
199.06482	9.3
199.14708	3.5
203.14268	1.3
207.13820	1.8
213.07971	1.8
215.17944	2.0
217.07509	9.7
217.15826	1.2
217.19469	3.1
223.06390	4.8
229.07317	1.8
231.08966	2.1
231.17393	1.4
231.21068	10.4
235.16951	1.4
239.09439	2.2
241.07487	17.0
241.11090	12.9
241.19531	9.2
243.09177	1.1
249.08092	1.2
249.22163	5.8
257.10437	1.1
259.05978	1.6
259.08447	24.8
259.11969	8.0
259.20578	28.4
260.20773	1.8
264.12714	1.6
275.20221	2.0
277.09433	3.0
277.21652	34.9
281.10526	2.6
282.10165	2.6
292.22638	6.1
295.22357	1.6
299.11493	3.3
315.16330	1.4
333.17303	12.2
351.07816	5.7
351.18188	92.5
351.21701	10.1
351.25137	100.0
352.18561	8.1
352.25415	12.5
369.19504	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.03443	0.5
58.98452	0.5
66.72679	0.4
67.05498	1.2
69.03446	0.5
69.07071	0.8
70.06593	1.1
72.08172	0.8
77.03936	0.4
77.57773	0.4
79.05495	1.8
81.07067	0.8
84.08134	1.2
84.60690	0.5
85.02893	1.0
86.09708	3.2
91.05476	2.1
93.07042	1.4
95.04980	2.5
95.08574	0.7
97.02909	0.9
103.05465	0.9
105.04510	0.7
105.07032	1.2
107.04955	100.0
108.04613	0.5
108.05260	3.0
109.06488	0.6
109.10162	1.5
110.07143	0.6
113.06015	1.5
115.05471	5.0
117.07028	1.1
119.04948	1.3
120.08131	0.7
121.02780	0.4
121.06495	5.4
123.03538	0.5
123.04430	9.1
131.04936	2.2
133.06467	1.9
136.07581	3.0
137.09587	1.6
143.04924	11.6
145.06477	7.1
148.05147	0.6
149.05981	1.5
155.10640	1.5
160.07521	0.8
161.05977	21.1
162.05348	0.6
162.06479	0.6
163.06226	0.9
164.07048	7.3
172.07529	1.1
174.09166	1.0
175.03799	0.6
177.80312	0.4
181.06442	0.7
181.10081	0.6
186.09230	0.5
190.04950	0.6
191.08495	1.7
194.07246	1.2
203.00085	0.6
206.04471	1.6
209.09645	3.2
214.08575	1.1
219.08011	0.8
225.09084	0.8
226.06180	1.0
226.09836	0.9
227.06966	0.7
229.09738	0.8
237.09097	5.3
238.09384	0.6
240.07767	1.1
241.01515	0.6
244.02744	1.0
244.09831	0.6
254.09268	0.6
255.10153	23.8
255.12872	1.1
256.10464	1.5
260.09167	1.1
271.10303	1.2
272.12799	36.6
273.13031	2.1
290.10263	4.5
300.08505	0.7
314.85724	0.6
317.11041	0.5
318.09619	0.8
335.05847	3.5
335.12372	0.6
336.06955	0.7
336.10583	3.8
352.08331	54.0
352.17944	2.4
353.08087	3.6
353.12482	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
53.31269	1.0
55.01874	7.2
55.05503	2.3
57.03439	6.9
61.02934	5.7
66.23831	1.3
67.05499	1.9
68.99792	2.4
69.03432	35.9
69.07069	11.6
69.18643	7.5
71.01348	1.6
71.04994	5.1
72.08163	1.9
73.02908	7.0
79.05502	1.6
81.03414	26.0
81.03892	1.3
81.07069	2.8
83.01353	1.2
85.02905	100.0
87.00833	44.5
87.01295	1.1
87.01376	2.0
91.04008	1.8
93.07043	2.0
95.08609	3.6
97.02892	36.0
97.07666	1.4
97.39246	1.2
99.04451	13.3
105.01867	75.1
105.07009	1.5
107.04951	1.2
107.08595	1.6
108.04485	3.0
109.02878	26.6
109.10138	3.0
115.03973	1.7
117.01834	1.3
123.04475	1.2
125.07093	2.2
125.64854	1.1
126.05460	1.9
127.03911	69.6
128.04274	2.5
129.01857	3.5
131.08600	1.8
137.09680	2.1
139.10049	1.3
145.04959	40.0
147.02885	2.6
149.09587	1.7
155.10663	1.9
159.02899	13.6
177.05376	1.4
177.09114	2.2
185.41927	1.4
189.03970	3.5
195.10161	1.6
204.13774	1.6
213.03957	3.4
231.05000	23.4
248.07599	2.1
249.06076	10.1
276.56003	1.1
335.23669	1.3
352.17459	1.8
352.21936	1.6
352.25870	4.6
353.16055	2.6
353.20758	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01870	6.4
55.05503	3.7
57.03420	6.8
60.04532	2.8
61.02938	5.6
62.22719	1.9
67.05495	2.7
68.99782	2.2
69.03429	39.5
69.07069	47.1
70.36567	3.2
71.04973	4.8
72.08149	8.1
73.02907	7.8
79.05486	4.5
81.03422	21.3
81.07048	10.2
83.04948	2.6
85.02905	100.0
85.06526	3.2
86.09711	3.2
87.00340	3.9
87.00826	40.3
91.05473	5.9
93.07031	7.3
95.08592	4.4
97.02889	42.9
97.06540	5.1
99.04467	10.9
99.08096	2.1
104.37531	2.3
105.01864	82.3
105.07033	2.8
107.04964	2.6
107.08591	5.3
109.02879	25.6
111.08070	10.0
115.03934	3.6
117.07042	4.4
119.08573	2.6
125.07052	4.4
127.03914	81.0
129.01831	3.1
131.08560	2.9
135.08063	3.7
137.09586	3.3
145.03831	3.4
145.04956	52.3
147.02827	4.5
149.09595	5.0
151.25307	2.1
153.09084	9.5
159.02913	15.3
159.07996	3.4
165.09125	5.4
177.09079	9.5
189.03865	4.0
195.10147	17.3
195.13792	2.4
213.03912	4.3
231.04984	24.9
232.05096	2.5
235.15411	3.2
249.05954	13.3
263.17468	4.5
299.11194	3.7
334.16653	3.8
350.41730	2.9
352.25922	14.3
353.20386	2.9
369.48898	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01878	3.1
66.46384	0.6
69.03424	0.7
69.07074	15.9
69.15262	4.0
79.05494	2.4
81.03429	3.4
81.07074	1.0
82.25142	0.7
84.08141	2.5
85.02972	0.7
86.09713	100.0
87.10027	1.5
91.05486	10.5
93.07032	1.7
95.01323	0.7
95.05003	1.1
105.07028	10.7
107.04971	1.6
107.08560	1.1
108.77060	0.7
112.07648	0.8
115.05486	4.0
117.07027	14.5
119.04988	1.9
119.08573	5.3
121.02895	1.3
121.06524	1.1
121.10130	1.2
128.06252	1.7
128.10733	2.0
129.07014	8.5
129.49449	0.8
131.04897	1.4
131.08574	6.5
132.10211	7.8
133.06490	20.6
135.04469	1.7
135.08087	1.1
141.06985	0.7
147.08049	17.7
149.06032	0.8
149.09633	2.2
156.08078	0.8
157.06477	5.7
159.08083	1.8
160.05199	0.8
161.05983	20.2
162.06311	1.7
175.07555	37.0
176.07889	1.3
177.09079	2.0
179.07034	2.4
185.05974	9.9
192.10197	2.4
202.08647	1.8
203.07042	51.6
204.07375	1.8
204.10147	1.1
220.09688	2.7
220.13350	1.3
221.08086	1.4
244.17029	2.0
246.14948	2.3
260.16483	6.3
288.15945	56.9
289.16235	3.5
292.15485	1.7
306.17007	29.1
307.17358	1.5
334.16663	4.4
352.17667	1.6
352.25043	0.9
353.15668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01865	2.9
55.05508	2.3
56.05046	0.8
57.03428	1.8
59.05010	0.9
60.04520	0.9
61.02904	0.8
64.16976	0.7
67.05506	13.3
69.03432	6.2
69.07067	7.9
70.04635	1.5
70.74058	0.8
71.04989	16.3
72.08157	8.1
73.02909	1.5
74.00652	1.9
75.95136	0.8
79.05464	1.8
81.03413	1.9
81.07058	3.9
82.10062	0.9
83.08623	1.0
85.02903	18.1
85.06525	0.9
86.09718	1.0
87.00829	2.3
87.04455	1.7
91.05470	9.0
93.05803	0.9
93.07039	8.6
95.04955	1.8
95.08601	27.1
97.02879	5.3
97.06539	1.1
97.07641	1.2
99.04476	2.2
99.08093	0.9
105.01878	5.4
105.03371	2.0
105.07002	1.9
106.06588	1.6
109.02881	1.3
109.06519	1.3
109.10147	19.3
111.08077	26.6
113.05988	1.5
117.62833	1.0
118.08642	2.1
119.08575	13.0
120.01158	4.9
120.08113	3.6
125.07124	4.4
125.09621	3.7
127.03918	5.1
127.11185	1.1
131.08640	1.2
136.06181	13.3
136.07567	3.3
137.05907	1.3
137.09601	36.6
138.09952	1.3
145.04939	4.5
149.09636	1.5
155.10660	100.0
156.11024	2.8
157.70987	0.8
159.11292	1.8
166.08629	1.6
173.11726	80.6
174.12067	3.5
176.10715	2.2
176.14418	1.0
187.10817	1.2
190.08652	1.6
204.13831	6.3
205.03548	0.8
220.11932	15.0
222.14870	2.7
231.05045	2.5
235.15535	5.7
252.10518	1.2
253.11957	1.6
253.14973	1.2
305.75024	0.8
308.19507	1.1
334.16623	1.7
352.17441	12.7
352.21967	5.6
352.25809	1.6
353.12262	1.0
353.20602	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.6
59.07367	1.2
64.27334	0.3
67.05496	0.6
68.05094	0.4
69.07070	0.3
70.06608	0.4
70.79956	0.5
72.07772	0.5
72.08152	4.0
73.04026	0.6
79.05468	0.6
80.56940	0.3
81.07040	0.7
84.08116	0.4
85.02894	1.1
86.09682	0.7
93.07063	0.4
95.04950	0.7
97.07635	0.6
98.06042	1.0
105.03384	32.4
106.03715	0.7
114.10274	0.9
115.08682	6.9
118.08649	41.4
119.08962	0.7
122.05984	0.8
127.07530	0.7
134.06010	2.8
136.07562	0.6
155.06990	0.6
155.10724	0.8
162.05499	1.2
175.12302	18.0
176.10706	28.1
176.12369	1.0
177.11060	1.2
190.04968	1.1
193.13336	1.3
218.10748	0.6
218.12878	10.9
219.13091	0.6
235.15524	100.0
236.15848	4.9
263.17621	0.7
281.18582	1.0
290.10294	0.5
335.12173	0.4
336.10648	0.7
352.26498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95081	0.9
53.03952	1.4
53.06398	1.0
53.82729	1.0
54.47217	0.9
55.01869	1.4
55.05512	9.1
55.78253	1.1
56.05043	2.6
60.04525	9.4
65.03950	1.3
65.04716	1.1
67.05504	18.3
67.29489	1.1
69.03481	1.2
69.07069	18.2
69.30084	3.8
69.30489	2.6
70.06595	4.0
71.04990	1.4
72.04534	1.3
79.05492	18.3
80.05016	18.3
81.03419	1.5
81.05791	1.9
81.07061	16.3
82.06590	3.1
83.05018	1.4
83.08630	4.2
84.04521	1.0
84.08156	2.2
85.04340	1.0
91.05481	14.9
92.04988	1.4
93.07037	13.0
94.06560	9.8
95.04986	4.2
95.08604	10.5
96.08119	1.7
97.02970	1.1
97.06559	3.4
97.10165	2.1
98.06026	1.2
105.07030	18.9
106.06571	2.2
107.08588	14.1
108.08115	5.8
109.06551	3.5
109.10170	5.3
110.06052	1.8
110.09738	1.9
114.09222	1.5
116.67589	1.1
117.07047	4.1
119.08589	9.1
120.08132	2.6
120.38255	1.0
121.10182	3.8
122.06076	4.7
122.09709	1.6
123.11745	2.2
123.33553	1.0
124.11286	1.4
125.09688	1.4
126.09185	1.4
129.07004	1.8
131.08606	3.7
133.10126	10.3
134.09624	2.0
135.08044	1.1
135.11691	2.6
136.07616	2.7
136.11230	1.6
137.09660	1.9
140.07086	3.5
141.06984	1.2
143.08586	1.6
145.10158	5.1
147.11674	5.8
148.11223	2.0
149.09676	3.0
149.13232	1.2
150.12823	1.3
152.07062	3.6
154.12347	2.7
157.10181	1.5
159.11740	3.8
161.13309	1.8
163.11198	2.0
164.14388	1.3
168.13965	1.1
171.11673	1.8
173.13315	2.3
177.12886	2.1
183.11815	1.6
187.11278	1.6
192.13921	2.1
199.51682	1.2
204.13849	13.6
206.15529	2.3
210.14978	3.8
218.15530	1.2
222.14891	21.3
223.13399	1.3
223.15619	1.8
224.16551	3.4
236.16531	1.6
239.18094	2.6
250.14450	2.0
252.16069	1.1
257.18967	8.5
264.15927	13.3
272.20181	2.0
274.21640	11.5
275.20059	29.6
275.22833	1.7
276.20505	1.7
282.17172	4.8
290.21225	3.6
292.22693	53.7
306.24368	1.8
316.22861	3.5
321.07703	3.2
324.25366	1.4
332.74698	1.4
334.23788	17.1
352.09448	3.8
352.21909	9.3
352.25024	100.0
353.10278	1.6
353.25204	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07947	1.5
55.01870	3.2
55.05504	13.4
56.05033	16.8
57.07087	1.6
58.06601	1.9
60.04519	20.7
66.70761	1.4
67.05502	28.3
68.05018	4.1
69.07064	27.6
69.30663	1.6
70.06587	5.1
70.10163	3.2
70.10490	1.8
72.04509	1.7
79.05487	38.6
80.05018	11.6
81.05781	2.6
81.07053	23.7
82.06579	7.3
82.14250	1.5
83.04960	1.8
83.08616	6.4
84.08134	2.7
91.05480	25.1
93.07048	34.2
94.06567	22.4
95.04961	6.1
95.07354	4.7
95.08601	18.4
96.08140	4.5
97.06522	3.8
97.10175	2.2
98.06020	2.2
98.22781	1.9
105.07030	24.1
106.06548	4.8
107.04979	1.6
107.07358	2.3
107.08584	17.6
108.08105	11.2
108.08807	2.2
109.10172	8.4
110.06064	2.2
110.09724	2.3
111.08079	1.9
117.06998	6.1
119.08587	17.1
120.08131	4.4
121.06477	2.5
121.10149	33.9
122.09661	5.2
124.07566	1.9
131.08589	7.6
133.10127	12.9
134.09662	4.9
135.04414	2.0
135.11681	5.1
136.11188	4.4
137.09619	3.6
138.12772	18.0
143.08559	1.8
145.10095	9.1
147.11696	7.9
148.11179	4.5
149.09637	5.5
149.13248	2.9
157.10034	1.8
159.11681	8.3
161.13252	3.5
162.12785	2.5
163.11153	3.0
164.14339	1.9
168.13855	2.2
173.13284	2.6
176.14317	3.5
177.12735	56.6
180.13789	14.4
187.11162	2.7
189.06924	2.2
189.11331	1.9
194.15422	6.7
204.13902	11.0
206.15416	2.9
208.13274	1.7
210.14908	3.6
212.16360	7.9
218.15477	1.9
219.17444	3.8
222.14882	16.5
223.15657	1.7
224.16447	3.6
226.14375	2.3
234.06735	2.8
236.16405	9.1
238.66518	2.1
245.05998	2.2
246.22189	2.6
254.17535	4.6
257.18936	11.0
258.35593	1.5
262.06436	2.9
274.21671	26.8
275.20029	33.3
275.22879	2.0
276.20438	2.8
277.05017	1.7
277.08624	5.0
290.21100	2.3
292.07159	2.3
292.22699	100.0
293.08127	3.0
293.23203	5.3
294.08798	2.0
307.09390	1.5
309.11069	3.5
316.22769	5.4
321.07559	3.8
334.20038	2.3
334.23730	33.2
335.09201	2.9
335.23718	2.5
352.21487	19.8
352.24875	53.7
353.06223	2.6
353.10187	25.4
353.14075	2.6
353.22601	3.4
368.70502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0846
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
67.05524	1.5
69.03423	2.1
70.02986	1.4
70.06604	2.3
71.43807	1.8
72.88514	1.5
73.02928	1.6
85.02887	2.2
90.68803	1.5
98.97554	2.4
101.02388	2.7
113.06026	11.8
116.07090	1.8
120.08112	2.7
121.08456	1.6
131.07045	6.0
137.09650	1.4
137.13905	1.5
149.65074	1.3
157.08606	2.8
166.08716	1.8
175.09592	2.3
185.04227	58.8
185.05885	3.3
191.03195	10.6
271.10764	3.3
272.09323	2.7
289.11792	2.1
290.10263	2.4
293.14484	1.4
299.10428	3.2
317.11447	3.5
318.09665	2.3
335.12326	6.2
336.10547	2.3
353.08426	100.0
353.12177	8.9
353.17514	3.1
354.08817	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1018
Annotation	Negundin A
Peak:m/z	Relative Intensity
67.05470	0.4
71.22018	0.3
72.08138	0.5
73.68395	0.3
75.04469	0.5
79.05491	0.3
87.04475	0.6
91.05460	0.6
93.07043	0.9
102.09163	0.5
105.07051	0.4
107.08595	0.7
114.04679	0.4
114.10263	0.4
115.05434	1.6
117.06985	0.9
128.06195	2.7
129.06998	12.6
130.07335	0.4
135.04433	0.7
141.03412	0.4
142.04147	2.6
143.04915	2.4
143.05962	0.5
145.06456	2.0
145.07426	0.3
145.10097	0.4
149.02293	0.5
156.05688	1.0
157.06468	6.2
171.04404	2.5
172.05171	4.9
173.05969	23.0
174.06306	0.9
176.04742	0.5
176.06143	0.7
177.06886	0.7
178.07770	1.0
179.08499	0.4
181.06465	0.4
187.07536	0.7
189.05489	0.5
189.07001	1.9
190.07730	0.9
191.08574	1.3
195.08153	0.3
199.03859	10.4
201.05452	22.8
202.05807	1.2
202.07698	0.4
203.08565	0.5
204.05711	0.8
205.06514	4.3
205.12210	3.7
206.07176	1.3
207.08052	2.1
208.08884	1.7
209.05969	0.8
217.06366	0.6
218.07240	2.5
219.08134	5.0
220.08827	1.8
221.05972	2.3
221.09494	0.4
223.07497	0.7
230.07330	0.6
231.06490	19.3
232.05087	2.8
232.08847	0.7
233.05954	3.0
234.06702	2.4
235.07510	12.9
236.08206	3.1
237.08971	1.8
239.10652	0.6
245.06032	1.6
246.06764	2.7
247.07516	5.1
248.08307	8.1
249.05530	2.4
249.08997	1.5
250.06223	4.4
251.06938	1.5
251.10660	3.9
260.04758	0.7
260.08310	1.4
261.05493	0.9
261.09192	0.6
262.06213	1.1
262.09366	0.3
263.07019	11.2
263.10535	0.9
264.07813	8.3
265.08505	3.1
267.06375	0.7
274.06158	0.7
275.07001	39.4
276.07608	6.3
277.05255	0.7
277.08530	4.5
278.05682	1.2
278.09341	1.4
279.06610	1.5
279.10110	12.1
280.10431	0.8
291.06564	2.0
291.10144	2.3
292.07291	4.6
293.08032	8.4
294.08655	1.2
295.05887	0.3
303.06458	2.1
304.07184	0.8
306.08713	0.4
307.09619	24.6
308.09814	1.5
309.11160	12.5
310.11569	0.8
310.23657	0.5
320.06723	0.7
321.07547	3.6
322.07742	0.6
335.09106	31.4
336.09344	2.4
352.24945	0.8
353.10159	100.0
353.25107	3.7
354.10513	6.8
354.26306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.102
Annotation	Negundin A
Peak:m/z	Relative Intensity
55.05498	0.7
63.32769	0.3
67.05470	0.5
69.07041	0.4
71.04969	0.5
75.04449	0.7
79.05476	0.6
81.07051	0.6
91.05481	0.7
93.06997	0.8
95.04919	0.6
95.08610	0.6
97.06517	0.3
105.07011	0.4
107.08598	0.6
109.06548	0.3
109.10115	0.3
119.08546	0.5
129.07018	0.3
133.10062	0.4
135.04417	3.5
136.04720	0.3
145.02782	0.3
145.10069	0.3
149.02362	0.3
152.93042	0.3
165.06935	0.5
173.05997	0.4
176.06262	0.5
178.07719	0.6
179.08423	0.4
185.06062	0.4
189.06970	2.0
190.07800	0.7
191.08557	1.7
193.06558	0.3
195.08011	1.0
195.51114	0.3
202.07730	0.6
203.08499	0.4
204.05736	0.7
205.06502	2.1
206.07214	1.3
207.08025	2.2
208.08746	2.0
209.05983	0.6
217.06522	1.5
218.07260	3.4
218.28670	0.3
219.08046	5.1
219.17439	1.0
220.08780	1.9
220.17647	0.5
221.05992	3.0
221.09521	0.7
222.06746	0.5
223.07510	0.4
227.07074	0.4
230.07275	0.5
231.08127	0.7
232.05209	2.0
232.08759	0.6
233.05965	2.6
233.09520	0.4
234.06757	2.7
235.07507	9.0
236.08250	3.8
237.09006	2.1
239.06969	0.6
239.10683	0.9
241.11359	0.3
245.05965	1.9
246.06717	3.1
247.07538	6.8
248.08287	8.2
248.52863	0.3
249.05475	3.3
249.08981	2.2
250.06248	5.5
250.09059	0.4
250.09708	0.2
251.06842	1.1
251.10672	5.2
252.10986	0.4
260.04694	0.7
260.08221	1.4
261.05383	1.3
261.09213	0.4
262.06183	0.9
263.07025	8.3
263.10587	1.5
264.07803	9.4
265.08505	3.3
267.09933	0.5
273.05460	0.4
274.06134	0.8
275.07016	46.8
276.07632	7.2
277.05011	1.2
277.08566	4.9
278.06180	1.9
278.08771	1.9
279.06796	1.0
279.10123	16.0
280.10471	1.0
287.09280	0.4
291.06461	2.5
291.10126	2.0
292.07303	6.9
293.04639	0.5
293.08051	9.6
294.08829	1.9
303.06482	3.2
304.07321	1.1
305.07886	0.4
306.08865	0.8
307.09622	29.3
308.09961	2.4
309.11194	15.9
309.14832	0.6
310.11517	1.0
320.06796	1.3
321.07434	1.1
325.10703	0.4
335.09116	35.0
336.09366	2.6
352.21634	1.0
353.10172	100.0
354.06378	0.6
354.10489	7.7
354.26468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.102
Annotation	Erysubin A
Peak:m/z	Relative Intensity
56.05017	0.3
56.71841	0.2
59.13297	0.2
60.04508	0.2
67.05490	0.5
68.85748	0.2
69.07050	0.4
69.22788	0.7
69.23201	0.7
75.04459	0.7
79.05471	0.5
81.07032	0.6
89.75110	0.2
90.85753	0.2
91.05453	0.4
93.06996	0.4
95.08584	0.5
98.22691	0.5
102.76810	0.2
119.08546	0.4
142.05313	0.2
145.10057	0.3
165.06964	0.4
176.06168	0.6
178.07790	0.6
179.08475	0.5
189.06964	1.3
190.07742	1.1
191.08553	1.6
193.06441	0.4
194.07312	0.3
195.08046	0.3
202.07729	0.7
203.06912	0.3
203.08611	0.4
204.05688	0.9
204.13850	0.3
205.06468	1.9
206.07117	0.7
207.08037	2.2
208.08804	2.0
217.06476	0.7
218.07245	2.4
219.08057	4.2
220.08771	1.3
221.05914	2.2
221.09601	0.6
222.06569	0.7
223.07509	0.7
230.07251	0.3
231.08167	0.5
232.05214	2.7
232.08789	0.5
233.05905	1.8
234.06754	2.3
235.07532	8.2
236.08258	3.3
237.09064	1.3
239.07050	0.4
239.10619	0.5
245.05969	2.1
246.06718	3.2
247.07529	4.8
248.08299	7.3
249.05429	3.1
249.08975	1.7
250.06242	3.9
251.06966	0.8
251.10641	4.5
253.08646	0.3
260.04623	0.7
260.08337	0.9
261.05417	0.7
261.09052	0.4
262.06247	0.8
263.07007	6.3
263.10553	1.0
264.07797	7.9
265.08554	3.2
266.09186	0.5
267.09991	0.5
274.06116	0.5
275.07010	41.6
276.07651	6.2
277.04996	0.8
277.08548	4.7
278.05676	1.4
278.09216	1.5
279.06815	0.8
279.10141	13.0
280.10452	0.7
291.06503	1.7
291.10129	2.1
292.07281	5.6
292.22678	0.8
293.08078	6.2
293.22870	0.4
294.08722	1.2
303.06549	2.6
304.07242	1.1
306.08868	0.8
307.09625	22.5
308.09961	2.1
309.11188	13.2
309.14832	0.3
309.16638	0.3
310.11490	1.0
320.06851	1.0
321.07303	0.7
322.88403	0.2
334.23886	0.4
335.09119	32.5
336.09485	2.5
338.07388	0.2
352.24811	0.6
353.10172	100.0
354.10501	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31786	1.9
53.69902	1.7
55.05499	2.1
56.07435	1.8
67.05497	4.8
69.03426	5.0
69.07076	2.8
70.06590	6.7
71.45679	2.2
71.59747	1.9
74.06055	2.0
84.08137	2.6
85.02901	4.8
86.09723	3.9
90.23510	1.7
91.05488	2.7
97.02901	6.5
98.06035	3.0
107.04935	2.0
107.08569	2.3
110.07149	4.3
114.10268	2.2
116.07085	2.2
127.03886	3.2
129.07980	1.9
134.06090	2.3
136.07600	11.2
137.02289	2.1
138.05600	2.6
143.08507	2.0
144.08130	3.1
145.02861	2.4
145.04918	2.5
146.06032	12.6
146.09552	2.0
148.07596	3.0
149.09561	2.2
150.05481	3.4
152.96498	2.2
155.03348	2.3
157.08519	2.8
158.09648	3.7
160.07529	3.0
162.05484	17.8
164.07060	5.4
165.05434	2.3
168.08302	2.0
169.75684	1.9
172.06126	4.6
172.07596	5.2
173.08264	2.7
174.05569	2.6
174.09152	13.8
174.79291	2.0
175.09743	2.5
177.05464	4.4
180.06500	2.2
184.07512	4.8
186.09119	13.9
188.07054	3.0
189.07814	3.5
192.06570	4.9
198.09187	3.8
200.07092	12.0
200.10742	3.1
201.10280	5.3
202.08632	5.8
213.07751	3.1
214.08685	20.7
216.06612	2.7
216.10223	5.5
217.09787	5.4
218.08044	2.9
226.08580	4.3
228.06593	3.3
228.10185	3.9
229.09709	18.7
230.08121	4.7
232.09651	4.3
242.08138	8.2
243.11269	5.4
244.09720	8.4
245.09271	18.9
246.07690	10.8
253.09766	5.6
257.09106	4.9
259.08450	9.2
259.10822	2.9
260.09143	22.4
261.09601	2.5
271.10785	19.5
272.09119	19.9
274.10883	3.3
281.09207	7.7
287.10339	13.7
288.08563	4.7
289.11758	4.3
290.10211	100.0
291.10391	2.2
294.09720	2.4
299.10281	6.4
300.08591	18.5
305.11285	7.2
306.09674	4.2
317.11243	13.6
318.09695	21.1
319.10129	3.3
335.12320	14.1
336.10721	80.5
337.11032	6.3
353.12149	30.7
353.16733	4.5
354.12006	2.8
354.20190	4.1
359.93201	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09928	1.7
55.01881	1.7
56.78231	1.8
70.63313	2.3
70.63659	2.8
81.07053	2.1
84.08153	5.7
91.05483	4.5
93.07024	1.8
96.04504	9.6
97.02910	4.3
105.06986	2.3
107.04937	2.5
108.04471	1.9
110.06072	3.1
119.04935	2.7
122.06021	2.2
133.02831	2.2
133.68076	1.9
136.07561	9.8
148.03932	2.3
150.05431	1.9
152.06963	2.0
155.10660	3.3
157.08713	2.4
160.07640	3.2
162.05455	2.8
162.09268	2.7
164.07100	2.2
170.09604	2.4
172.07524	3.5
174.05573	3.7
174.07822	3.9
174.09192	6.2
175.03879	2.0
175.08714	5.5
184.07635	4.7
185.08342	2.1
186.09132	9.3
187.12303	6.3
190.08551	3.8
192.06497	4.1
196.17041	3.3
198.09181	14.8
199.08693	4.4
200.07318	2.2
200.09489	5.9
201.10213	5.4
207.06551	6.6
212.07037	2.4
213.06442	2.6
214.07043	2.5
214.08836	4.2
215.11790	22.2
216.10147	6.7
219.10315	1.9
225.10263	4.3
226.08623	6.5
227.08130	7.9
228.08662	2.2
229.09679	14.9
230.08090	3.0
232.09764	2.4
239.08177	3.9
242.08238	2.7
243.11288	37.5
244.09605	11.0
245.09248	6.7
246.07593	6.5
253.09811	4.2
257.09167	12.6
260.09219	6.3
271.10760	100.0
272.08792	4.3
272.11346	5.1
273.12341	7.8
281.09326	4.3
287.10400	4.0
289.11789	5.4
290.10226	35.5
299.10220	32.5
300.08612	2.8
305.11197	3.2
306.09778	13.9
308.11160	4.9
317.11313	50.5
318.09818	3.7
320.68857	2.6
335.12357	43.6
336.10645	26.1
353.12454	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1487
Annotation	CCT018159
Peak:m/z	Relative Intensity
55.05499	4.5
67.05496	14.0
69.07057	4.5
69.49654	7.8
79.05479	8.3
80.56192	1.5
81.07055	18.3
83.08611	2.4
91.05475	5.2
93.07047	8.4
95.04971	2.1
95.08620	13.8
97.10165	2.0
105.07022	6.7
107.08589	6.2
109.06503	3.9
109.10143	5.8
119.08571	5.5
121.10144	5.7
123.11667	1.9
131.08530	2.9
133.10130	2.2
135.11667	3.3
138.25572	1.5
143.08604	1.9
145.10139	2.9
147.11708	3.1
149.13237	3.1
150.06755	2.0
151.07570	2.4
152.77264	1.8
159.11649	2.0
161.05927	3.1
173.05855	3.0
177.09059	3.9
187.14883	2.3
191.14125	1.8
243.20956	1.8
261.22165	12.7
289.25198	3.4
299.16150	1.6
317.24667	11.0
333.19116	2.3
335.15924	2.8
335.25568	8.3
353.14456	100.0
353.23215	4.1
353.26724	5.3
354.14615	17.2
354.18658	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.8
53.03928	0.9
55.01863	1.1
55.05505	3.5
56.05025	2.3
59.49112	0.6
62.55499	0.6
64.65896	0.6
65.03941	0.9
67.05160	0.9
67.05503	12.5
68.05039	4.6
69.03425	1.4
69.07078	3.7
70.49080	1.2
71.05005	0.8
74.02447	1.0
77.03918	1.0
79.05490	34.7
79.34020	0.7
80.05008	3.0
80.05806	1.3
80.17574	0.6
80.22488	0.6
81.03406	0.7
81.07062	11.9
82.02943	2.0
82.06563	3.0
83.04971	1.3
83.08595	2.7
84.04499	50.3
84.08141	1.3
85.02909	3.8
85.04848	0.9
85.06541	1.9
86.06057	3.0
86.09695	0.7
91.05478	17.5
93.07040	28.8
94.06557	2.2
95.04960	5.0
95.08605	5.8
96.04500	0.9
96.08125	1.0
97.06531	1.6
100.11244	0.8
100.18219	0.6
101.07136	9.5
102.05540	2.2
103.05441	1.3
105.03372	0.6
105.04466	1.8
105.06351	0.8
105.07021	13.3
106.06552	1.6
107.04951	0.7
107.08592	5.0
108.08121	0.8
109.06476	3.3
109.10168	1.3
111.05579	1.1
112.03949	1.0
113.02281	0.7
114.05495	3.5
117.06990	3.6
118.06536	1.5
119.08569	7.6
120.08088	10.1
121.04034	0.9
121.06500	1.7
121.10152	1.0
123.08055	1.5
128.06175	0.7
129.06996	6.3
130.04996	39.7
131.05336	1.2
131.08583	1.5
132.08066	1.1
133.10106	3.7
134.05975	1.3
135.08080	0.9
135.11746	0.9
139.05142	0.7
142.04982	0.9
143.08585	3.5
145.10127	4.3
147.08014	2.2
147.11662	12.9
148.07538	7.0
149.09662	0.8
157.06091	7.7
159.11604	0.8
160.07581	1.0
160.28403	0.7
161.09578	2.0
161.13200	4.5
166.08612	1.6
168.97797	0.7
171.11681	13.3
174.09082	1.2
187.11168	2.0
189.12727	22.0
190.13063	1.1
194.08099	4.1
206.08090	1.6
206.15398	2.1
207.13795	9.8
224.16496	5.4
224.96303	0.7
262.17990	2.1
272.16428	3.1
290.17529	2.4
300.15878	2.4
307.09677	0.8
307.20224	1.6
308.18555	0.8
310.17557	1.0
318.16901	7.7
336.17911	1.7
353.15802	6.7
353.20651	100.0
354.20898	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
60.04500	1.3
62.06098	0.7
67.05496	3.4
69.07047	1.3
79.05479	2.2
80.05008	1.7
81.07037	2.6
91.05483	2.2
93.07050	3.4
94.06589	0.8
95.04953	0.9
95.08619	1.4
97.06470	0.9
101.02357	0.9
105.07034	1.5
107.08595	2.2
108.08896	0.7
119.08595	1.0
121.10136	1.2
125.09614	0.6
133.10170	1.0
135.04385	0.9
159.76164	0.5
165.09048	0.8
204.13730	0.8
205.14183	0.8
235.07056	0.9
236.07343	0.8
246.06445	1.2
251.09654	1.0
252.06882	0.8
255.08603	0.8
263.06561	0.7
264.06879	1.0
267.83408	0.6
271.12717	1.2
275.22339	0.7
276.20395	2.5
276.23129	0.7
277.08466	0.7
278.09225	0.6
278.90442	0.6
279.06406	0.8
279.09033	3.4
290.80875	0.7
292.22571	1.4
293.23087	3.6
294.24286	3.9
295.08777	0.6
305.06970	0.8
307.09140	0.9
309.10263	2.2
322.08279	0.9
323.08279	3.8
335.07809	0.8
335.24268	0.9
336.25220	1.0
353.09256	17.0
353.22888	100.0
354.09280	1.4
354.23026	6.6
354.26572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97654	0.5
55.99456	0.6
59.59629	0.5
70.27993	1.2
74.02867	0.5
83.24045	0.6
116.73182	0.5
177.29778	0.5
275.74509	0.6
281.13367	0.6
301.02045	0.6
334.23837	0.5
353.22955	100.0
354.23187	6.3
354.26202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.20687	0.4
66.31571	0.3
66.64937	0.3
67.05495	1.2
69.07060	0.6
69.52235	1.5
70.06589	0.6
71.04992	0.7
79.05478	1.3
80.04980	0.5
81.07046	1.8
91.05473	1.2
93.07032	1.5
95.04975	0.5
95.08572	1.4
99.08073	0.4
105.07024	1.2
106.07386	0.5
107.08568	1.2
119.08596	0.7
121.06499	0.5
121.10171	1.0
133.10115	0.6
135.11685	0.6
141.07011	0.5
145.10236	0.4
149.09676	0.4
151.07530	1.5
159.07828	0.4
163.07559	0.5
165.09091	1.2
177.09067	2.2
182.06242	0.4
189.09128	1.0
203.03426	1.1
209.58014	0.4
215.65126	0.4
221.04332	0.7
223.15263	0.5
230.09346	0.8
231.02948	0.7
261.21420	0.7
276.20428	0.7
279.10114	1.3
280.07144	0.5
289.08508	0.4
293.22778	0.9
294.24213	0.7
295.09497	0.7
307.09589	1.7
307.12820	0.4
321.11212	1.0
322.11951	2.8
323.09064	1.5
335.21393	3.8
338.11505	2.3
353.06479	1.2
353.13913	7.5
353.22870	100.0
354.18216	1.4
354.23196	7.2
354.27072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
55.29341	0.4
56.05042	0.7
60.04527	1.1
62.98266	0.6
67.05493	1.5
69.07058	1.4
71.46381	0.5
79.05495	1.5
80.05012	1.0
81.07056	2.5
82.07402	0.6
91.05479	1.9
93.07033	1.6
94.07356	0.5
95.04975	0.6
95.08576	1.1
103.05451	0.7
105.07034	1.8
107.04953	0.5
107.08597	1.1
108.08833	0.6
116.60506	0.5
117.07026	0.8
117.56733	0.4
119.08565	0.9
121.10176	0.5
129.07005	0.9
131.04904	1.1
133.06477	1.0
133.10136	1.0
137.09627	0.6
147.11685	0.6
151.07471	0.6
157.06429	0.5
159.11726	0.5
161.05948	3.0
167.07080	0.9
173.05907	1.0
179.07048	0.6
185.05946	0.6
193.08620	1.6
203.03667	0.5
276.20282	1.0
277.21487	0.6
293.23032	3.8
294.24228	1.3
335.15677	2.2
335.21826	24.4
336.22086	1.4
353.16937	100.0
353.22925	66.3
354.14478	5.6
354.17581	4.3
354.22968	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05507	14.0
57.03429	4.5
57.07079	4.7
65.03938	2.6
65.26916	1.2
67.05505	89.0
69.07070	13.3
69.97437	4.2
71.08629	1.6
77.03925	2.5
79.05036	2.7
79.05493	46.3
81.07055	85.7
82.07385	2.1
83.08617	5.6
85.06525	1.7
91.05476	21.4
93.07043	56.5
95.04970	2.6
95.08605	60.8
96.08929	2.9
97.06520	2.6
97.10165	3.1
99.08095	1.9
105.07025	17.7
107.08588	35.0
109.06510	2.6
109.10155	35.7
111.08094	1.7
117.07020	8.9
119.08586	15.2
121.10141	29.5
122.10531	1.5
123.11716	17.6
125.09712	1.3
131.08554	18.6
133.10115	13.1
135.11690	26.7
137.09677	1.9
137.13246	7.1
145.10127	13.2
147.11682	11.6
147.33893	1.2
149.13255	17.0
151.14806	3.0
159.11702	12.4
160.78886	1.3
161.13289	7.9
163.14806	15.0
169.10808	1.2
173.13255	13.5
175.14929	2.2
175.59929	1.4
177.12762	1.7
177.16429	3.4
187.14836	10.1
191.14420	1.7
201.16461	1.9
219.17506	1.6
233.22641	3.2
243.21037	21.4
244.21513	2.3
261.22131	100.0
262.22528	10.9
279.23068	2.4
335.25650	6.9
353.26825	34.3
354.27286	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
51.46907	1.5
55.05510	11.8
57.03426	2.5
57.07074	5.0
59.24004	1.7
64.78582	1.6
67.05502	18.8
69.03432	2.5
69.07063	23.9
69.44849	5.0
69.45243	2.8
71.04993	3.3
71.08628	22.5
76.94231	1.9
79.05502	9.3
81.07047	32.5
83.08623	5.6
85.06528	2.5
91.05477	7.4
93.07034	16.7
95.04974	9.1
95.08604	17.9
97.06554	5.1
97.10162	2.5
99.08096	14.9
105.07027	14.8
107.08598	9.5
109.06523	32.1
109.10137	9.5
111.08071	1.8
119.08593	15.7
121.06509	7.6
121.10169	7.0
123.08080	2.8
123.11677	3.3
131.08528	3.8
133.10126	7.1
135.08029	4.6
135.11673	4.0
139.11186	5.0
145.10112	5.6
147.11646	3.2
149.09607	2.7
159.11687	4.8
161.13275	4.2
163.11240	3.9
165.12756	55.4
173.13174	2.0
175.14804	4.7
175.92944	1.8
177.12740	6.4
179.14436	2.3
209.18985	15.5
237.18524	2.3
279.26880	2.9
289.25232	22.2
290.25470	2.5
299.23697	2.0
300.87268	1.8
302.12482	2.0
307.26224	3.6
317.24759	76.9
318.25031	9.4
335.25800	100.0
336.26129	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
53.03935	1.9
54.30788	1.4
55.01855	1.8
55.05298	1.5
55.05511	16.5
57.03430	4.7
57.07059	5.9
64.37016	1.5
65.03934	2.2
67.05502	100.0
69.07068	14.9
69.98135	4.1
71.04971	3.0
71.08618	1.8
75.04466	2.0
79.05042	2.5
79.05491	45.1
81.07054	99.2
83.05000	2.1
83.08602	6.9
85.06538	3.7
91.05476	24.1
93.07040	57.4
95.04990	3.5
95.08601	74.0
97.06520	4.0
97.10204	4.1
98.23386	2.8
99.08105	3.1
105.07033	11.9
107.08585	35.3
109.10146	37.5
111.11732	1.6
117.07018	9.0
119.08575	13.2
121.10139	33.1
121.46606	1.5
123.11702	21.6
131.08566	18.7
133.10110	15.4
135.11694	22.6
137.13281	9.9
145.10133	15.8
145.23035	1.6
147.11700	8.7
149.13266	18.2
151.14842	2.0
159.11700	12.5
161.13232	9.7
163.14848	12.5
165.12808	1.7
165.16315	1.9
165.61673	1.7
173.13252	14.7
175.14853	3.3
177.16336	2.9
179.14323	2.1
187.14819	8.7
191.37053	1.5
201.16461	2.1
233.22771	1.8
243.21036	23.1
244.21234	2.3
261.22131	93.1
262.22427	7.8
263.23541	1.7
279.23196	7.9
305.01642	1.6
335.15796	4.4
335.25705	12.3
342.47202	1.6
353.16870	8.0
353.26855	34.7
354.26660	3.6
366.82965	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	1.3
55.05510	13.9
57.03432	3.7
57.07062	3.3
65.03925	2.7
67.05502	82.6
68.05821	1.7
69.07063	11.7
70.17375	2.1
71.04974	3.3
71.08624	2.2
75.04433	1.0
77.03918	1.6
79.05490	45.0
81.07053	90.1
82.07381	2.9
83.04988	1.6
83.08620	5.4
85.06550	2.4
90.78458	0.9
91.04971	0.8
91.05471	24.1
93.07040	58.7
93.68961	0.9
94.07354	1.6
94.80350	1.0
95.04948	4.8
95.08601	69.1
96.08961	1.5
97.06535	3.7
97.10164	2.9
99.08080	2.3
105.04519	1.8
105.07016	16.3
107.08590	35.6
108.08948	2.2
109.10146	34.7
111.08076	1.0
113.09605	1.2
117.07018	9.1
119.08573	14.3
121.10146	29.8
122.10413	1.1
123.11700	19.8
125.09655	1.4
131.08563	21.1
133.10120	13.3
135.11694	26.9
137.09636	0.9
137.13255	7.8
139.11160	1.5
145.10129	14.2
147.11690	11.3
149.13268	20.7
151.14801	1.8
153.12744	2.1
156.73717	1.1
159.11696	14.2
161.13231	8.3
163.11234	1.3
163.14841	11.8
165.12717	1.5
173.13240	15.1
175.14789	2.9
177.16359	5.4
179.14186	1.3
187.14781	9.2
201.16354	2.5
205.15865	2.3
215.17899	2.3
233.22597	3.9
243.21086	20.1
244.21451	2.3
261.22119	100.0
262.22412	9.4
263.23718	1.2
268.36551	1.2
279.23328	2.1
281.75787	1.0
333.37643	1.1
335.25760	6.7
336.25858	1.1
353.22519	1.9
353.26846	31.6
354.27344	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01874	1.0
55.05506	13.6
57.03435	4.5
57.07078	7.1
65.03935	2.9
66.28951	0.7
67.05500	93.1
68.05828	1.2
69.07062	14.1
70.06575	1.1
70.15481	1.2
70.15835	1.7
71.04993	1.8
71.08617	3.8
75.04480	1.0
75.57169	0.8
77.03917	1.2
79.05486	58.1
79.36513	0.7
80.05827	1.5
81.07050	95.9
82.07401	1.5
83.04967	1.4
83.08615	8.9
85.06544	4.3
85.10167	2.4
88.07630	1.5
91.05473	32.7
92.05757	0.9
93.07039	78.6
94.07362	1.9
95.04973	6.4
95.08600	76.3
96.08941	2.2
97.06537	4.3
97.10172	3.4
98.23409	0.8
99.08087	5.3
105.04507	2.8
105.07018	21.7
107.08584	47.0
108.08923	1.8
109.06481	2.7
109.10147	27.8
111.08068	1.9
111.11696	0.9
113.09626	3.0
117.06996	10.9
119.08578	15.3
121.10136	37.2
122.10484	1.1
123.08065	2.2
123.11697	14.4
125.09622	1.2
131.08559	29.3
133.10115	12.8
135.11682	26.7
137.09641	1.2
137.13260	7.1
137.50528	0.8
139.11177	1.6
143.08504	0.7
145.10107	19.1
146.10413	1.1
147.11676	13.1
149.09644	1.5
149.13240	23.7
151.14798	4.2
153.12752	2.8
158.55487	0.7
159.11682	13.9
161.13252	10.8
163.11171	2.2
163.14798	19.2
164.15201	0.9
165.12737	1.8
166.64174	0.7
167.14334	1.0
173.13252	16.2
175.14819	4.3
177.09077	1.0
177.12772	1.9
177.16394	7.3
179.14288	2.0
187.14807	12.7
188.15161	0.9
191.14235	1.8
197.08000	0.9
201.16331	3.7
205.15828	1.1
209.87614	0.8
215.17914	1.2
219.17377	1.7
233.19016	1.4
233.22630	7.6
242.43268	0.8
243.21069	35.8
244.21355	2.4
250.28874	0.8
261.22116	100.0
262.22470	7.7
263.23694	1.3
279.23227	1.8
306.81726	0.8
317.24661	1.1
335.25827	6.7
353.26868	10.8
354.27267	1.6
354.33588	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81237	1.3
53.03953	2.8
55.05299	1.2
55.05517	14.1
57.03442	5.8
57.07066	5.5
65.03948	2.9
67.05508	91.3
68.39224	1.3
69.07069	11.6
69.74364	4.3
71.04974	1.7
71.08650	1.2
75.04478	2.0
77.03951	1.2
79.05495	40.4
81.07061	96.2
82.07401	2.2
83.05002	1.4
83.08636	7.0
83.09046	1.2
85.06530	2.5
91.05475	17.9
93.07050	53.8
95.04973	2.7
95.08611	74.3
96.08943	2.2
97.06530	2.9
97.10182	2.7
98.23431	2.3
99.08104	3.1
105.07015	11.8
107.08601	32.6
108.08925	2.1
109.10159	37.0
110.10487	1.4
111.08113	1.7
113.09649	2.1
117.07019	8.0
119.08594	14.3
121.10160	30.6
123.11717	21.8
131.08578	18.0
133.10139	9.6
135.11700	23.4
137.13266	9.0
139.11211	1.5
145.10143	13.6
146.10503	1.4
146.58409	1.2
147.11676	9.0
149.13251	19.2
151.11186	1.9
151.14818	2.9
153.12740	1.8
157.10144	2.1
159.11693	14.3
161.13271	8.2
163.14835	8.9
165.12741	3.1
166.96858	1.3
173.13277	14.3
174.13478	1.9
175.14854	3.4
177.12729	1.6
177.16411	5.4
179.14285	2.2
187.14850	7.8
191.14215	1.3
201.16382	4.0
205.15831	2.3
233.22635	4.0
243.18643	1.4
243.21112	24.0
244.21477	1.4
261.22147	100.0
262.22421	7.9
279.23175	5.8
286.23660	1.3
315.83859	1.4
324.90891	1.3
335.25763	14.2
336.26099	1.4
353.22565	2.0
353.26898	36.2
354.27301	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03934	0.1
55.01862	0.2
55.05492	0.1
56.05041	0.1
57.03418	0.3
61.02925	0.5
67.05491	0.2
69.03424	1.2
69.07092	0.2
70.06577	0.3
70.28674	0.2
70.29008	0.2
71.04987	0.2
72.08142	0.6
73.02894	0.2
74.02477	0.2
81.03414	0.5
81.04545	0.4
81.07062	0.2
83.01336	0.1
83.06113	0.2
84.08134	0.4
85.02899	3.9
85.06544	0.2
91.03962	0.2
91.05469	0.7
93.07059	0.2
95.04977	0.1
95.06083	0.3
97.02878	1.1
105.07032	0.2
109.02856	0.3
113.05941	0.1
117.05757	0.2
118.06540	2.4
119.08554	0.2
121.06500	0.1
125.07107	0.3
127.03899	0.4
129.09160	0.1
131.08609	0.2
133.05161	0.2
136.06184	0.1
136.07596	0.2
145.04976	0.4
146.05998	100.0
147.06351	3.6
148.06189	0.2
157.08580	0.2
157.12277	0.1
160.07567	0.4
170.06058	0.2
173.09642	0.1
175.03827	0.2
175.09586	0.2
186.05554	0.1
188.07031	0.4
191.10590	0.2
192.06541	45.5
193.05098	0.2
193.06898	2.0
204.06456	0.3
207.06444	0.2
219.16478	0.1
222.09839	0.7
222.13446	0.4
234.07666	0.1
238.17812	0.1
263.06723	0.1
277.18976	0.1
283.20129	2.1
310.16159	0.4
336.17883	0.3
336.22067	0.1
354.14304	0.4
354.19479	0.7
354.23462	0.6
354.27435	2.2
355.13531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24314	0.9
53.03940	4.1
55.01870	7.4
57.03435	5.8
61.02927	7.0
65.72064	1.0
67.05522	1.1
68.99788	2.7
69.03428	34.6
69.41969	3.8
71.01322	1.2
71.04995	5.0
73.02907	6.7
79.05498	1.0
81.03416	21.3
81.07048	1.7
83.05006	1.3
84.08154	1.2
85.02901	100.0
86.03262	1.1
86.09712	2.3
87.00827	44.3
91.03941	1.0
92.26444	1.0
93.07055	1.9
97.02891	27.3
99.04449	11.8
103.03975	1.6
105.01864	74.7
105.07001	1.3
107.08562	1.1
108.04494	2.2
109.02872	24.6
115.03899	2.2
117.01842	3.4
121.10165	1.4
125.07092	3.6
126.05554	0.9
126.06670	1.4
127.03911	66.5
129.01828	3.2
136.07553	2.0
137.07916	3.1
145.04959	32.3
147.02864	2.7
148.39236	1.0
150.10080	1.0
157.12216	1.4
159.02875	13.3
165.09015	1.2
167.24950	1.1
171.02864	1.1
189.03951	2.5
197.11702	1.1
213.03912	2.5
231.04990	20.3
249.06093	5.6
273.73657	1.0
337.21179	2.2
354.15997	3.0
355.17545	8.0
355.21649	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98205	0.6
55.01865	1.6
55.05521	1.5
57.03432	2.7
65.67238	0.7
67.05502	2.2
69.03406	1.3
69.07067	1.1
70.06579	1.4
71.04992	5.5
71.21838	0.6
72.08191	0.7
73.02905	3.1
78.81162	0.6
79.05489	0.7
79.92304	0.7
83.04961	1.0
83.08614	0.7
84.08141	0.7
85.02897	3.0
85.06531	4.6
89.03912	2.1
93.07036	1.9
95.04951	6.0
95.08614	1.4
97.02882	2.0
97.06519	1.9
99.23458	0.7
101.02375	19.0
101.34967	0.7
107.04984	0.9
110.07157	1.1
111.08087	1.4
112.30516	0.6
112.55846	0.6
113.06001	100.0
114.06311	2.4
116.07066	1.2
117.03382	2.8
119.04985	0.7
129.09067	1.1
131.07034	38.1
132.07318	0.9
135.04402	6.1
139.07538	5.0
145.02840	3.0
147.29337	0.7
151.07483	0.7
157.08615	10.5
163.03896	37.2
175.09662	8.8
193.05038	1.1
268.55148	0.6
272.11148	1.1
291.10614	0.8
293.97946	0.6
336.12704	1.3
354.15854	2.3
355.13406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01873	6.5
57.03436	5.3
61.02919	4.4
65.93008	0.9
68.99778	1.2
69.03429	38.7
69.07066	2.4
69.35149	4.8
71.04984	3.5
71.08605	1.5
73.02926	6.1
76.28259	0.8
81.03415	21.2
82.03735	0.9
85.02905	100.0
86.03219	1.3
86.09724	1.6
87.00831	46.0
87.04467	1.0
97.02895	32.9
98.03212	1.0
98.22691	1.4
99.04459	15.6
105.01865	82.3
108.04512	1.8
109.02882	25.8
115.03925	1.5
117.01889	1.8
125.07084	1.3
126.05563	1.8
126.06642	2.8
127.03916	72.0
128.04230	2.1
129.01831	2.8
137.54808	1.0
139.11163	2.8
145.04959	37.1
147.02895	2.6
157.12254	4.1
159.02870	12.8
171.02968	1.2
189.03931	2.8
197.11700	1.2
201.03702	1.8
212.72592	1.0
213.03934	2.6
230.06570	1.3
231.04993	23.4
248.07695	1.2
249.06055	7.4
354.20206	1.6
355.17407	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.191
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
53.03938	1.6
55.01867	1.7
55.05499	2.2
56.05043	1.2
58.06588	0.9
65.68539	0.8
67.05489	2.6
69.07066	11.7
71.04969	0.6
74.06056	0.8
79.05491	4.7
81.03408	4.3
81.07061	2.5
81.83160	0.7
82.06555	1.3
83.04980	3.6
83.08599	0.9
84.08112	1.1
86.09702	100.0
87.10040	2.1
91.05479	12.8
92.98765	0.6
93.07042	7.6
95.04977	3.4
95.08633	1.3
97.06554	1.1
98.23492	2.5
100.11252	1.5
102.09206	1.3
104.60394	0.7
105.07021	5.7
107.04951	4.8
107.08587	4.2
109.02885	5.3
109.06512	1.9
111.04456	1.6
115.05427	1.4
117.07014	28.8
118.07335	1.6
119.08585	6.7
121.06495	3.1
121.10155	1.6
123.04420	9.6
124.07562	6.3
128.06219	1.0
128.10706	8.5
129.06998	1.6
131.04915	1.4
131.08560	11.6
131.09460	1.0
132.10199	5.9
133.06505	3.1
133.10123	3.8
135.04503	0.8
135.08047	28.0
135.11678	1.0
137.05984	1.4
141.07060	1.4
143.08563	2.9
145.06496	5.9
149.09615	4.6
150.12840	0.9
151.07516	1.4
152.07123	0.9
156.10213	3.2
159.08043	15.7
161.05959	2.2
161.09633	2.8
163.07532	20.6
163.08879	1.2
164.07915	0.9
166.12268	1.9
169.06479	2.0
173.05998	1.0
177.09100	13.3
179.10631	0.9
181.08597	13.6
181.10101	1.0
187.07529	9.0
195.10147	1.6
201.05389	0.9
205.08592	59.2
206.07292	0.9
206.08998	3.2
227.07117	0.8
244.17001	2.2
246.18593	1.3
248.16565	1.0
262.18073	2.3
272.16449	1.7
290.17487	53.1
291.17834	4.1
308.18546	33.9
309.18863	3.1
310.23755	23.4
311.24179	1.8
318.17444	0.9
336.18076	7.2
336.21838	1.2
340.16550	0.8
354.19287	1.4
354.22397	1.5
354.26382	20.7
355.11679	1.4
355.15570	1.0
355.26682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05023	0.6
62.06051	0.4
67.05503	2.5
69.03399	0.4
69.07068	2.2
69.64822	1.2
70.06564	0.5
71.68092	0.3
72.04497	1.2
72.08131	0.4
74.06046	1.4
74.06409	0.3
79.05496	1.9
80.04986	0.6
81.03409	0.5
81.07056	2.7
81.90370	0.3
82.06544	1.0
83.04978	0.5
83.08587	1.0
84.08148	0.4
86.09715	4.8
88.07603	0.6
91.05482	1.6
93.07056	2.0
94.06544	1.0
95.04956	0.9
95.08609	2.5
96.08081	0.8
97.06505	0.7
97.10162	0.7
100.07586	0.7
102.09162	1.0
103.05431	0.3
105.07021	0.9
107.08564	1.4
108.08090	1.5
109.10126	0.9
112.07579	0.9
114.09153	0.5
117.07018	1.7
119.08549	1.3
121.06471	0.4
121.10123	0.7
122.09635	1.3
123.08086	0.3
124.07590	6.4
126.09117	0.5
128.10712	0.8
131.08528	0.9
132.10187	0.5
133.10063	1.0
135.04387	1.0
135.08026	1.0
136.11215	2.7
137.05965	0.3
138.09167	1.9
139.09944	1.6
140.10649	1.1
142.12241	1.2
143.08447	0.4
145.06415	0.3
147.11674	0.3
150.12766	0.4
151.07509	0.6
152.10707	3.4
153.11385	0.4
154.12305	2.0
159.08101	0.4
163.03860	0.4
163.07462	1.0
166.12289	3.1
167.06979	0.4
167.13019	1.1
168.13817	1.4
173.05981	0.3
177.09024	0.7
180.13834	0.5
180.86609	0.3
181.08629	0.5
182.15402	0.4
187.03914	0.4
187.07579	0.6
199.04027	0.4
201.05434	1.1
205.08636	2.2
215.10735	0.4
236.16376	0.7
246.18478	0.7
250.18025	1.2
256.19043	0.8
264.19623	1.4
266.17499	0.8
280.19046	4.7
282.20648	0.7
283.13583	0.4
290.17584	3.3
292.22748	1.2
308.18552	1.8
308.22223	2.2
309.18970	0.4
310.23770	100.0
311.12759	0.8
311.24103	6.7
312.25406	1.0
331.14172	0.3
336.18124	0.7
336.25183	0.4
351.36694	0.3
354.26398	74.3
355.11804	0.5
355.17709	1.9
355.26691	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03933	0.5
53.05737	0.3
55.05262	0.3
55.05512	6.3
57.07061	1.1
58.06590	0.9
62.06072	0.6
62.46249	0.2
65.03934	0.8
67.05505	12.6
69.06707	0.4
69.07066	6.1
70.06592	12.6
71.08624	0.5
71.46964	0.3
74.06075	1.0
79.05485	2.6
81.07056	10.4
82.07361	0.4
83.08620	2.2
88.07629	17.8
89.07947	0.4
91.05479	1.1
93.07046	2.0
95.04955	0.3
95.08027	0.4
95.08607	7.1
96.08931	0.4
97.06521	0.6
97.10155	1.3
100.07641	0.3
102.09181	3.3
103.07591	0.3
105.07016	1.4
106.08671	7.8
107.04954	0.3
107.08585	1.0
109.06550	0.5
109.10160	2.7
117.06992	0.5
119.08574	1.2
120.13542	0.3
121.10099	0.8
123.11726	0.6
131.08589	0.3
133.10114	1.0
135.07993	0.5
135.11649	0.4
136.05186	0.8
145.10115	0.4
147.08060	0.5
147.11740	0.5
149.13258	0.5
150.06721	0.4
151.07526	5.0
151.14757	0.3
161.13202	0.4
162.13631	0.3
163.07571	0.4
163.14774	0.4
164.10934	0.3
165.09088	1.4
172.16969	0.3
175.14819	0.6
177.09082	0.7
177.77583	0.3
181.59885	0.3
185.76375	0.3
201.09171	0.3
245.22733	1.0
262.21875	0.9
263.23724	1.5
292.29810	0.3
310.31003	0.7
323.16544	0.3
336.32574	5.7
337.27222	0.8
340.16748	1.7
344.25876	0.3
354.33652	100.0
355.15695	1.5
355.18805	3.8
355.24054	0.6
355.29086	0.5
355.33981	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76847	3.8
57.90930	3.5
69.96358	12.5
84.08142	5.6
89.03913	5.2
91.05855	4.3
91.22189	3.9
98.97607	6.0
104.99301	5.6
110.06035	7.0
110.82832	4.3
113.06032	5.8
117.03357	6.1
135.04427	16.9
136.06320	9.2
136.07553	16.2
145.02835	15.3
151.07538	8.8
160.07608	10.3
162.05521	36.3
163.03908	100.0
164.07037	20.4
178.08600	5.3
182.08197	18.8
192.03952	5.5
198.98940	4.7
222.07648	51.1
296.12360	3.8
355.10254	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
68.98297	1.5
69.03418	4.5
69.79322	0.9
70.06577	1.2
70.33901	1.0
70.85226	1.4
70.99844	1.4
81.03412	3.1
82.99419	1.0
82.99860	4.7
85.02908	3.9
85.04935	1.1
97.02888	7.5
98.97562	3.5
101.00233	2.4
101.00873	39.4
101.11686	1.1
102.00955	2.1
109.02872	3.5
113.00869	6.8
115.02455	1.8
116.98565	1.2
119.01913	54.7
120.02018	3.6
127.02406	4.0
127.03895	1.3
131.01892	16.0
133.03455	1.3
135.04375	2.0
137.02965	6.8
139.02422	1.5
143.01892	28.9
145.03465	14.5
146.03473	1.3
147.04381	2.7
149.02975	1.9
151.07501	1.2
155.01865	16.3
157.03476	9.7
158.06631	3.3
159.01369	4.3
159.06680	1.6
160.07582	3.8
161.02939	55.5
162.03087	3.7
163.03798	6.2
167.01865	6.6
169.03500	2.0
173.02927	18.7
175.04503	2.9
176.07635	1.6
177.00867	1.5
179.01889	4.8
185.02950	22.7
187.02893	1.1
187.04471	5.8
191.03995	3.1
197.02917	26.9
197.04630	1.6
198.03101	2.0
201.00922	1.4
203.02382	2.3
203.04007	14.9
205.03418	3.1
210.03696	1.3
215.03961	4.8
217.03456	1.5
219.01988	6.3
220.02142	3.5
221.05098	3.6
223.04518	4.0
227.03955	4.3
235.04480	17.6
236.04608	1.6
245.05040	32.9
246.05264	2.3
247.04468	1.7
253.05562	11.9
261.03259	1.5
263.03430	1.1
263.06030	6.2
265.05573	2.5
271.06781	1.3
277.00854	1.2
283.06821	2.5
295.06775	1.3
301.07977	3.2
313.07843	23.5
314.07681	7.0
332.10385	5.2
355.08698	100.0
356.08960	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21382	0.6
67.05515	0.8
70.61919	1.4
72.89187	0.6
79.05486	1.1
82.06580	1.6
89.03911	2.1
97.02915	0.8
99.22134	0.6
104.99281	2.7
110.06042	6.2
113.06005	0.9
117.03378	3.0
126.05516	1.9
128.07112	1.0
131.07066	0.9
135.04419	4.5
136.06192	3.0
136.07556	11.6
137.06015	1.0
138.05478	1.3
140.06978	1.0
144.23486	0.7
145.02853	3.1
152.07094	1.0
155.78372	0.6
160.07626	1.2
162.05515	10.9
163.03902	24.5
164.04205	0.9
164.07060	17.7
177.01563	1.0
180.06607	0.9
182.08136	17.3
184.06038	0.8
185.04260	2.5
192.03928	13.9
193.04727	7.0
222.07613	12.8
319.12616	1.2
324.08228	2.1
325.08640	1.0
355.09973	100.0
356.10303	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.22799	0.3
63.02388	0.4
67.05495	0.5
69.80778	0.6
73.98199	0.2
77.46645	0.3
79.05482	1.2
80.12070	0.3
83.04974	0.8
89.03905	5.5
91.05479	0.3
95.04968	0.9
107.04952	2.4
111.04393	0.4
117.02577	0.4
117.03380	8.2
119.04961	0.9
123.04418	1.2
135.04408	16.9
136.04747	0.4
145.01680	0.5
145.02847	11.1
147.04404	0.7
163.03891	100.0
164.04207	3.1
164.23520	0.3
181.04942	0.4
191.08141	4.5
191.09698	0.4
193.05029	0.3
196.16939	1.0
197.17445	0.3
322.66641	0.3
355.12955	4.7
356.13019	0.3
356.89105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13970	0.6
62.50409	0.6
64.53734	0.7
67.05519	0.8
69.07052	0.9
70.06575	1.5
71.01120	0.7
72.08125	0.8
79.05473	1.9
81.07066	0.9
84.08127	2.4
85.02880	1.1
86.09689	2.8
89.03911	8.0
93.07036	1.0
95.04972	1.6
95.06075	1.2
95.08687	0.7
97.02888	1.3
103.07552	1.3
105.06991	1.1
107.04952	2.5
110.07178	1.6
115.07513	0.9
117.03365	10.1
121.94704	0.7
130.08653	1.0
132.10194	1.6
133.02841	1.5
135.04416	20.4
137.05934	1.2
145.02840	11.8
151.07532	2.0
157.08611	0.7
158.98387	0.7
163.03899	100.0
164.04221	3.0
165.05396	0.7
177.99716	0.7
193.04971	7.6
193.08537	0.8
194.05247	0.7
201.05466	1.0
354.20029	1.3
355.13605	9.9
355.17285	1.1
356.20627	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.0
66.76302	0.3
71.45902	0.5
75.92678	0.4
79.05490	0.4
81.57743	0.4
84.08144	0.7
85.02903	0.5
91.05446	0.5
101.99187	0.4
118.06546	0.5
131.10669	0.7
132.04443	1.6
146.06001	3.3
147.04443	0.4
147.06340	3.1
151.07526	0.8
163.03891	1.0
170.13298	0.4
174.05690	0.4
192.06610	2.5
193.04985	1.4
193.06892	1.7
193.08443	0.7
355.13605	100.0
356.13913	5.8
356.20523	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01870	6.6
55.05509	10.1
57.03444	1.9
65.03934	1.8
67.05507	20.1
67.50084	1.6
68.36826	1.8
69.03421	6.5
69.07075	9.3
71.04996	7.2
71.11028	1.6
79.05494	38.2
81.03420	26.1
81.07056	21.1
83.04974	12.8
83.08596	2.1
85.06568	1.8
91.05473	34.7
92.05756	2.1
93.07043	29.5
95.04973	24.1
95.08627	11.0
97.02884	3.9
97.06537	13.2
97.10166	3.3
99.04473	10.7
103.05496	4.9
105.07031	74.5
107.04959	13.3
107.08033	1.9
107.08606	21.6
108.08097	2.4
109.06523	20.5
109.10126	3.3
111.04431	2.8
115.05466	5.5
117.07026	14.9
119.04925	5.7
119.08578	13.6
121.06509	34.0
121.10150	5.1
123.04446	2.7
123.08080	5.1
125.06007	7.9
128.03511	1.6
128.06212	4.6
129.06992	7.6
130.07759	6.0
131.04904	5.8
131.08580	17.1
133.06493	23.3
133.10095	10.6
135.04378	5.3
135.08063	11.0
136.05211	1.7
136.07571	11.3
137.06003	8.9
141.06992	5.3
143.07043	5.6
143.08551	9.0
144.09346	4.2
145.02879	2.7
145.06467	15.3
145.08965	3.6
145.10126	65.5
146.10492	2.2
147.04399	5.0
147.08025	6.8
147.11684	6.1
148.11157	2.2
149.05977	4.8
149.09589	3.9
151.07541	21.5
152.06215	3.1
153.06937	2.8
154.07733	5.0
155.08568	6.3
156.05676	3.0
157.06444	4.1
157.10144	3.0
158.07262	16.4
159.04440	6.1
159.08046	13.2
159.11697	31.3
161.02365	2.2
161.05989	5.2
161.09624	6.8
163.03903	15.1
163.07526	3.6
165.07103	2.5
165.09053	4.2
165.12817	2.1
167.08562	1.8
169.06473	2.6
169.10106	7.6
171.08070	3.9
172.03941	3.5
172.08795	6.6
173.02325	6.2
173.06023	5.0
173.09618	100.0
174.09938	4.2
175.03940	2.8
175.07521	3.2
177.05469	2.0
177.09167	2.4
179.08588	4.8
181.06447	5.3
182.07262	3.6
183.08026	2.6
185.05905	2.3
187.03918	5.9
187.11176	46.0
188.11563	2.5
189.05530	2.1
189.09132	3.9
191.10638	16.3
195.07980	2.4
196.05199	2.9
197.09610	13.2
199.03914	6.8
201.05444	7.0
204.06525	3.9
205.12224	28.3
210.06778	4.4
211.07538	6.1
212.08293	8.2
213.05449	8.3
215.10672	60.6
216.11000	3.0
217.04895	5.4
224.04700	2.6
227.06993	2.4
233.11731	42.2
235.07487	2.5
236.08372	2.4
237.09088	2.8
238.06271	2.5
239.07025	3.4
239.10634	3.2
240.07971	2.0
251.03358	2.8
251.12788	12.6
252.03952	1.6
253.08582	2.5
254.05804	2.1
265.08630	4.2
265.12161	1.8
267.06598	3.3
267.10696	2.8
267.13803	18.9
268.07175	3.9
277.08527	2.8
283.09656	27.3
283.12970	3.0
284.09918	3.0
285.14905	3.0
293.11725	3.1
295.05997	10.2
295.09680	5.4
309.14557	3.4
311.09109	6.3
311.12845	4.8
313.07031	55.1
314.07440	2.9
323.09158	6.3
325.10666	7.7
327.08667	19.7
328.09164	3.5
337.10812	3.0
337.14426	3.4
340.16479	2.9
355.11624	10.4
355.15625	10.0
355.19095	2.5
355.26791	3.4
356.20270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.2
57.03416	0.9
57.07082	4.6
58.06596	0.9
59.28547	0.8
60.31259	0.9
67.05517	6.1
69.07078	8.4
70.06595	11.3
71.08624	2.3
77.63331	0.7
79.05483	2.4
81.07079	5.3
83.08624	4.6
88.07636	15.6
91.05470	2.2
92.74686	0.9
93.07006	2.2
94.07359	1.0
95.08640	4.4
95.09125	0.8
96.08930	1.3
97.10139	2.4
102.09179	4.7
105.07002	2.1
106.08678	8.2
107.08598	1.8
109.10115	3.3
119.08547	2.5
121.06481	1.1
121.10107	1.3
123.11586	1.2
133.10187	1.0
135.11734	1.0
136.05170	3.7
137.05923	1.4
147.08034	1.4
151.07559	17.6
153.08986	0.9
163.07452	1.0
165.09119	4.4
177.09085	2.0
189.09151	1.6
198.81429	0.9
203.10614	1.4
216.97818	0.8
262.22513	1.1
271.16904	1.4
277.21597	0.8
281.15234	2.3
299.16260	1.5
323.16391	1.0
336.32214	1.1
338.34003	5.5
340.16577	3.9
344.17502	1.1
354.27386	1.0
354.33664	10.7
355.16251	37.8
355.26755	1.2
355.34033	5.2
356.16653	3.6
356.35236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.0
56.96572	20.2
56.96823	3.9
57.03436	4.4
57.07071	3.3
62.06084	2.6
62.98246	2.6
67.05504	27.0
69.07065	20.1
70.06592	16.3
71.46566	2.7
79.05489	11.9
80.05782	3.2
81.07058	29.3
82.07387	4.6
83.08617	9.9
88.07639	15.0
89.07974	3.3
91.05474	13.9
93.07041	11.3
94.07392	3.1
95.08612	23.6
97.06554	3.8
97.10162	6.4
97.96832	3.6
102.09195	3.6
105.07052	6.1
106.08649	13.0
107.04955	8.7
107.08582	9.3
109.10149	11.7
110.97558	10.2
111.87901	2.5
119.08604	3.4
121.10142	4.1
123.08110	2.7
123.11739	3.6
128.98616	12.3
129.06960	3.8
133.06514	3.6
133.10121	3.8
135.08022	3.0
135.11696	4.5
136.05193	17.9
137.05948	7.1
145.10098	3.2
146.99622	5.3
147.08034	6.8
150.06757	4.2
151.07535	87.9
161.13199	2.8
163.07596	5.1
165.09120	25.7
166.75633	2.6
175.07626	3.6
177.09064	13.1
188.08315	3.7
189.09146	5.3
191.10648	5.4
196.71135	2.5
201.09125	3.2
203.10670	3.1
259.12192	2.9
262.22620	4.3
263.09598	3.8
263.22864	2.7
289.18140	3.3
303.12616	4.1
313.14789	4.6
315.16254	43.6
318.07529	3.4
323.16324	6.4
333.17374	73.7
336.32559	6.0
337.32806	3.6
340.16687	30.6
351.18411	21.3
354.33630	100.0
355.16351	91.2
355.19339	29.9
355.28314	14.9
355.33926	48.7
356.18814	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93716	0.3
62.98246	0.6
67.05508	0.3
69.07084	0.4
69.95796	0.9
77.96941	0.4
79.05489	0.7
81.07046	0.4
91.05456	0.4
95.08585	0.4
103.05481	0.4
103.98507	0.8
105.07030	0.5
107.04990	0.5
116.99220	0.5
121.06604	0.3
131.04945	0.9
133.06499	0.6
135.04416	3.0
137.05998	0.8
149.05971	1.2
151.07544	3.1
157.06038	0.6
161.05997	1.0
163.07607	1.5
167.07037	2.6
173.05986	0.5
175.07626	0.4
185.06015	1.2
227.10156	1.0
229.11519	0.3
233.09746	0.5
243.09709	3.6
257.11230	9.7
273.10715	2.0
286.11667	0.3
297.14453	0.6
323.12720	0.8
337.17514	0.9
340.16586	0.5
355.18579	100.0
356.18945	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44355	0.4
53.66554	0.4
61.97491	0.7
62.98266	3.9
64.34380	0.4
67.05500	1.0
69.07064	0.5
69.86906	1.0
69.87269	0.8
77.96972	0.7
79.05508	1.0
81.07062	1.2
89.96937	0.5
91.05479	1.1
93.07063	0.6
95.08605	0.6
95.72314	0.4
98.22762	0.9
98.23375	1.0
100.38815	0.5
103.98494	4.0
107.04933	0.5
107.08553	0.5
111.03174	0.4
116.99277	1.8
131.00835	0.7
131.08511	0.5
133.10130	0.8
136.05232	0.6
145.02368	1.5
151.07570	5.2
151.79021	0.5
159.03903	0.5
163.03935	0.7
165.09134	1.2
173.01955	0.8
173.05559	0.8
177.09106	0.6
188.07674	0.5
191.10611	0.5
217.08141	7.0
243.09712	1.1
257.11176	4.2
267.13345	0.6
268.10538	1.0
269.11224	6.5
285.10849	0.5
286.11337	0.7
295.24710	1.2
315.19312	2.2
333.19183	0.9
337.17520	20.1
337.25665	0.9
338.17819	1.7
340.16629	0.9
355.18597	100.0
356.18893	7.6
373.18307	0.6
375.84778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
60.04520	0.7
67.05505	6.8
69.07074	4.2
70.06590	3.1
70.07943	1.1
71.08643	0.5
76.74412	0.5
78.58112	0.5
79.05487	1.9
81.07060	7.1
82.15677	0.5
83.08617	2.0
88.07625	4.1
91.05499	2.3
93.07035	2.1
95.08603	4.3
96.08958	0.5
97.06509	0.6
97.10180	1.1
99.08047	0.6
102.09191	1.0
103.05473	0.6
105.07019	1.8
106.07455	0.5
106.08666	2.2
107.04943	1.4
107.08595	1.4
109.06508	0.6
109.10175	2.0
117.07032	0.6
119.08579	1.5
121.06493	0.6
121.10153	2.0
123.11680	0.7
133.06502	0.7
133.10152	0.9
135.04402	0.7
135.08052	1.2
135.11742	1.0
136.05180	3.7
137.05975	1.6
145.06467	0.5
147.08083	1.5
147.11665	0.9
150.06744	1.1
151.07536	19.7
152.07912	0.8
153.08867	0.4
153.37119	0.5
161.13286	0.7
163.07568	1.1
165.09132	4.9
167.64804	0.5
173.05765	0.5
174.06834	0.6
175.07510	0.8
177.09103	2.2
188.08376	1.1
189.09143	0.9
191.10674	0.8
201.09164	0.7
203.10669	1.2
245.22659	1.9
255.09679	0.6
263.23773	1.8
266.96121	0.5
281.23682	0.5
323.16418	0.7
333.17786	0.8
337.17471	3.3
337.27444	1.0
337.32834	1.1
340.16586	5.7
354.33667	13.0
355.18588	100.0
355.33920	18.4
356.14938	0.6
356.18958	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13931	0.3
55.05508	1.0
55.53695	0.4
55.88979	0.4
57.07065	0.4
58.81482	0.3
62.98235	0.4
67.05495	1.4
69.03439	0.4
69.07057	1.2
71.08606	0.6
77.96951	0.7
79.05476	1.3
81.07055	1.5
83.08621	0.6
91.05469	3.7
93.07043	1.8
95.04967	1.1
95.08617	1.0
95.70356	0.4
97.06513	0.8
97.10160	1.0
98.97595	0.8
103.05467	0.7
104.40940	0.4
105.07022	1.7
107.04961	3.0
107.08580	1.1
108.05739	0.7
109.06521	0.8
109.10165	0.5
116.99258	3.7
117.07051	0.5
119.08565	0.8
121.06494	1.9
121.10106	0.8
122.03628	0.6
123.08087	0.8
125.09643	0.5
125.33533	0.4
129.06969	0.5
131.04922	0.8
131.08614	0.6
133.06490	1.3
135.04419	1.4
135.08034	2.5
135.11711	0.6
136.05194	8.3
137.05991	4.0
143.04907	0.5
145.06485	0.9
146.07256	0.7
147.08055	2.4
149.06004	0.7
150.06761	3.1
151.07535	43.0
152.07924	0.9
153.09161	0.5
157.06569	0.7
159.08060	1.0
159.11838	0.5
160.08873	0.5
161.05972	0.5
163.07541	1.7
164.08298	1.2
165.09109	11.3
166.09521	0.6
171.08002	0.6
173.05853	0.4
174.06755	0.8
175.07549	1.7
176.08188	0.6
177.09091	5.8
179.10757	0.7
187.07762	0.6
188.08325	1.3
189.09085	3.5
191.10696	1.6
201.09064	1.3
202.09811	0.7
203.10643	2.4
215.10237	1.9
217.12212	0.7
289.17850	0.5
309.14771	0.9
323.16400	1.7
337.16962	0.6
340.16675	12.9
341.16998	1.1
353.17358	0.4
355.18591	100.0
356.18967	7.4
356.25937	0.5
365.37585	0.4
372.83502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
57.07061	1.2
60.04525	2.3
62.06075	0.9
62.98262	0.9
67.05505	5.9
69.07062	2.6
69.23379	0.7
69.66405	1.5
69.66796	1.8
70.06600	2.1
79.05505	2.4
81.07052	7.5
83.08640	1.3
86.87964	0.7
88.07642	3.7
91.05488	2.7
93.07052	2.7
95.04970	1.1
95.08584	6.8
97.10179	0.9
98.23428	0.8
98.97624	0.7
102.09175	2.0
103.98505	1.8
105.06995	2.2
106.08661	2.2
107.04954	1.2
107.08549	1.9
109.10130	1.9
116.99269	2.9
117.99980	0.8
119.08565	1.7
121.06503	0.9
121.10172	1.9
123.08073	0.9
123.11697	1.4
131.04939	1.0
133.06503	1.0
133.10121	0.9
135.04425	1.3
135.08061	1.3
135.11719	1.9
136.05176	4.0
137.06009	2.7
143.08578	1.1
145.10127	1.0
147.08055	1.8
150.06772	1.5
151.07532	28.9
152.07858	0.9
159.08034	1.0
163.07593	2.3
165.09071	6.2
169.14783	0.9
171.11740	1.1
173.05510	3.5
175.07512	1.1
177.09152	2.7
189.09106	1.9
191.10686	0.9
201.09265	0.9
203.10635	1.1
221.65897	0.8
245.22722	2.2
255.09647	1.5
256.10541	1.1
263.23730	1.4
323.16541	1.4
333.19131	1.5
337.17520	1.6
340.16650	7.7
351.20215	1.3
354.33655	6.2
355.18637	100.0
355.33862	13.7
355.37943	1.3
356.18930	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12329	0.5
55.05524	0.7
57.16101	0.4
67.05520	1.2
69.09637	3.1
79.05506	1.3
81.07057	1.0
85.12064	0.4
91.05492	1.4
93.07030	1.0
98.23252	2.2
105.07051	1.0
107.04973	1.5
107.08591	0.5
108.05766	0.5
109.06561	0.5
118.41209	0.5
119.08610	0.5
119.83588	0.5
121.06503	0.4
123.08117	0.6
129.86095	0.4
133.06514	0.8
135.04488	1.1
135.08076	1.2
136.05194	3.4
137.06007	1.5
143.08647	0.9
145.06583	0.5
147.08075	1.3
149.06163	0.5
150.06827	1.1
151.07553	20.8
163.07584	1.0
165.09126	4.8
174.06854	0.5
177.09160	2.0
181.84509	0.4
188.08275	0.8
189.09093	1.1
191.10657	0.6
200.52080	0.5
201.09175	0.6
203.10680	1.0
207.06552	1.0
213.16171	0.4
220.12825	0.5
293.07498	0.4
337.17700	3.2
340.16666	4.8
341.17322	0.7
355.18771	100.0
356.19064	8.1
356.23212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
67.05495	0.8
70.15752	0.9
77.96960	0.4
79.05485	1.4
80.06278	0.5
81.03421	0.3
81.07047	1.0
91.05473	3.1
93.07053	0.8
95.04974	0.9
95.08589	0.7
98.97598	0.3
103.05455	1.0
103.98468	0.4
105.07016	1.3
107.04958	3.0
107.08562	0.4
108.05742	1.4
109.06512	1.1
115.05462	0.5
116.99295	0.4
117.07018	0.6
119.08662	0.3
121.06496	2.8
121.10151	0.3
123.08059	1.0
129.06981	0.5
131.04944	1.0
131.08543	0.6
133.06497	1.3
135.04388	1.8
135.08054	3.3
136.04166	0.6
136.05191	10.3
136.06215	0.6
137.05984	3.9
139.07523	0.4
143.04892	0.7
143.08458	0.5
145.06512	0.7
146.07240	1.0
147.08038	3.5
149.05969	0.7
149.09656	0.5
150.06738	3.6
151.07533	55.8
152.07954	2.0
153.09090	0.6
157.06477	1.1
158.07291	0.6
159.08022	0.9
160.08771	0.6
161.05974	0.4
161.09625	0.4
163.07527	2.6
164.08327	1.6
164.44055	0.3
165.09106	13.9
166.08063	0.3
166.09474	0.6
167.41585	0.3
169.55870	0.3
171.08118	0.7
172.08745	0.4
173.05849	0.9
174.06735	0.6
175.07539	1.7
176.08342	0.6
177.09111	4.9
178.09436	0.4
179.10658	0.7
187.07504	0.9
188.08324	1.6
189.09082	4.5
191.10652	2.5
201.09114	1.6
202.09865	0.8
203.10709	2.5
211.48108	0.3
213.08569	0.3
217.12241	1.7
227.10281	0.5
229.11852	0.4
253.32722	0.3
291.13751	0.5
295.24545	0.4
309.14786	0.8
323.16428	1.9
333.19193	0.3
340.16666	15.3
341.17017	1.4
355.18741	100.0
356.19104	8.7
373.19931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1881
Annotation	1-dodecanoyl-glycero-3-phosphate
Peak:m/z	Relative Intensity
62.41337	0.4
69.79201	1.2
81.07036	0.5
91.05479	0.8
107.04955	0.6
121.06505	0.6
135.04404	0.5
135.08070	0.4
136.05217	1.4
137.06009	0.9
147.08139	0.4
150.06790	0.4
150.36679	0.5
151.07553	9.8
163.07509	0.6
165.09113	1.9
177.09084	0.5
189.09042	0.6
240.84387	0.4
340.16559	2.8
341.37463	0.5
348.02521	0.4
355.18805	100.0
356.15118	0.8
356.19135	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
55.20543	0.1
63.02362	0.1
65.03934	0.4
67.05499	0.2
69.71619	0.3
71.83086	0.1
75.04446	0.3
77.03922	0.4
78.04709	0.2
79.05486	1.2
80.06257	0.6
81.07047	0.2
90.04693	0.7
91.05473	4.3
93.07039	0.7
94.04193	0.2
95.04966	0.6
95.08597	0.1
103.05457	2.2
104.32368	0.1
105.03386	0.3
105.04532	0.2
105.07019	1.9
106.04183	0.5
107.04945	5.1
107.08574	0.3
108.05752	2.4
109.06547	0.9
114.05068	0.1
115.05433	0.7
117.07005	1.7
118.04140	0.4
119.04953	0.2
119.06030	0.4
119.08566	0.4
120.05690	0.3
121.06504	3.3
122.03639	0.2
123.04407	0.2
123.08049	0.8
128.06236	0.3
129.06972	0.6
130.04114	0.2
131.04921	3.7
131.08569	0.3
132.05629	0.4
133.06490	2.8
134.07207	0.2
135.04405	2.7
135.07034	0.2
135.08044	3.5
136.05190	11.8
137.05981	6.4
137.09583	0.2
138.06525	0.2
139.07512	0.4
143.04912	0.5
143.08508	0.2
144.05676	0.4
145.06479	2.8
146.07265	2.7
147.04396	0.3
147.08040	7.7
148.08395	0.3
149.05975	1.4
149.09618	0.6
150.06758	3.7
151.07530	100.0
152.07860	3.5
153.09094	0.5
154.65759	0.1
156.05724	0.2
157.06471	0.9
158.07271	0.5
159.04366	0.2
159.08044	1.2
160.03984	0.1
160.05139	0.5
160.08838	1.7
161.06012	1.1
161.09612	1.6
162.06744	1.4
163.07529	8.1
164.08318	1.5
165.09102	15.1
166.09464	0.8
167.10614	0.1
171.08067	0.8
172.08830	0.6
173.05994	0.5
173.09608	0.4
174.06734	1.0
175.07516	2.3
175.11145	0.1
176.08307	1.8
177.09094	15.3
178.09549	1.1
179.10666	1.0
185.09705	0.2
186.10385	0.4
187.07489	0.7
188.08315	1.7
189.09091	4.8
190.09645	0.4
191.10658	4.7
191.12404	0.2
192.11020	0.2
193.12283	0.2
199.07463	0.1
201.09135	1.4
202.09933	0.8
203.10649	3.5
204.11064	0.2
205.12228	0.3
215.10698	0.2
217.10265	0.1
217.12224	2.3
218.12505	0.2
220.41350	0.1
231.13814	0.2
233.09419	0.1
239.10486	0.1
248.11696	0.1
263.14191	0.1
277.12247	0.4
291.13727	0.4
292.14465	0.2
293.11722	0.2
293.14941	0.1
294.12451	0.2
308.13943	0.2
309.14746	1.0
310.15372	0.1
321.14828	0.1
323.16397	1.5
324.16971	0.7
325.14328	0.3
325.18027	0.1
340.16666	25.8
341.17023	2.4
353.17297	0.4
355.19006	16.9
356.19373	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02382	0.1
51.53798	0.1
53.03941	0.1
55.01865	0.1
55.05503	0.1
59.04982	0.1
63.02356	0.1
64.54665	0.1
65.03918	0.4
66.04701	0.1
67.05492	0.2
69.03408	0.1
69.34142	0.1
69.34538	0.2
71.05003	0.1
75.04472	0.3
77.03886	0.4
78.04698	0.3
79.05492	1.6
80.06256	0.6
81.07058	0.2
90.04688	0.6
91.05473	5.2
92.05791	0.1
92.06289	0.1
93.03407	0.1
93.07037	0.8
94.04181	0.2
95.04964	0.7
95.08599	0.2
97.06538	0.1
102.04659	0.1
103.05463	2.8
104.06293	0.1
105.03401	0.4
105.04502	0.2
105.07031	2.7
106.04166	0.5
106.07343	0.1
107.04950	6.3
107.08566	0.4
108.05751	2.9
109.06529	1.1
115.05426	0.9
116.06219	0.2
116.52193	0.1
117.07014	2.3
118.04160	0.5
119.04971	0.5
119.06036	0.5
119.08563	0.7
120.05677	0.4
121.06502	4.4
121.10083	0.1
122.03668	0.3
122.07269	0.2
123.04440	0.2
123.07188	0.0
123.08054	1.2
124.05145	0.1
125.05960	0.1
128.06210	0.5
128.71310	0.1
129.06993	0.9
130.04131	0.2
130.07890	0.1
131.04922	5.2
131.08578	0.4
132.05626	0.3
133.06483	3.2
133.07465	0.2
134.07312	0.3
135.04408	3.0
135.08043	4.9
136.05191	13.6
137.05978	6.8
137.09595	0.2
138.06557	0.3
139.07527	0.5
141.06993	0.1
143.04904	0.6
143.08551	0.3
144.05675	0.3
145.06479	3.4
146.07268	3.2
147.04372	0.4
147.08043	8.9
148.05115	0.1
148.08372	0.5
149.05981	1.6
149.07137	0.1
149.09602	0.6
150.06760	4.2
151.07530	100.0
152.07861	3.6
153.09099	0.7
155.06064	0.1
156.05695	0.2
157.06487	1.1
158.07239	0.7
159.04405	0.1
159.08032	1.4
160.05168	0.4
160.08835	1.8
161.05984	1.5
161.09615	1.8
162.06743	1.9
162.09897	0.1
163.07532	9.8
164.08311	2.2
165.09100	19.3
166.09442	1.0
167.07065	0.1
167.10661	0.2
170.07213	0.1
171.08044	1.1
172.05290	0.1
172.08800	0.8
173.05971	0.8
173.09570	0.5
174.06747	1.4
174.10355	0.2
175.07520	3.0
176.08316	2.3
177.09093	17.4
178.09531	1.4
179.07057	0.1
179.10657	1.5
180.11000	0.1
184.08838	0.1
185.09647	0.4
186.10402	0.4
187.07506	1.0
187.11046	0.1
188.08316	2.0
189.09088	5.6
190.09633	0.8
191.10648	5.3
192.11070	0.2
193.08603	0.1
193.12199	0.2
201.09097	1.6
202.09865	1.0
203.10655	4.2
204.11064	0.3
205.10422	0.1
205.12224	0.4
215.10687	0.2
216.11366	0.1
217.12228	2.5
218.12582	0.1
231.13820	0.2
233.09579	0.1
234.10344	0.1
245.09514	0.1
259.11194	0.1
260.11847	0.1
261.09045	0.1
262.09857	0.1
263.10638	0.1
263.14163	0.1
265.12198	0.1
275.10483	0.1
276.11371	0.1
277.12222	0.4
291.10712	0.1
291.13708	0.5
292.14594	0.3
293.11652	0.2
293.14969	0.1
294.12509	0.1
295.13199	0.1
307.13269	0.1
308.13977	0.2
309.14804	1.1
310.15384	0.1
322.15671	0.1
323.16385	2.2
324.17059	0.9
325.14313	0.3
325.18076	0.1
336.75107	0.1
340.16660	26.8
341.16992	2.4
353.17422	0.4
355.18976	21.3
356.15176	0.1
356.19345	2.1
373.19949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1904
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
51.02371	0.1
53.03941	0.1
54.38974	0.1
55.01865	0.1
55.05512	0.1
65.03918	0.5
67.05500	0.1
69.68509	0.1
69.68887	0.3
75.04493	0.4
75.04865	0.1
76.41366	0.1
77.03925	0.4
78.04704	0.4
79.05492	1.4
80.06274	0.5
81.07059	0.2
90.04689	0.7
91.05477	5.7
92.05765	0.1
92.06265	0.2
93.07037	1.1
94.04200	0.3
95.04993	0.5
95.08592	0.1
103.05466	1.3
104.06319	0.1
105.03382	0.3
105.04525	0.2
105.07030	2.5
106.04188	0.5
107.04953	5.9
107.08559	0.6
108.05748	2.9
109.06544	1.4
115.05426	0.9
116.06217	0.2
117.07011	1.1
118.04158	0.4
119.04973	0.3
119.06041	0.6
119.08552	0.4
120.05708	0.5
121.06506	4.6
122.03643	0.3
122.07259	0.3
123.04513	0.1
123.08074	1.4
128.06180	0.6
129.06999	1.1
131.04924	1.9
131.08577	0.3
132.05637	0.2
133.06490	2.7
134.07176	0.3
134.29350	0.1
135.04416	3.6
135.08054	5.4
136.05197	19.3
136.08430	0.3
137.05988	7.4
137.09578	0.3
138.06660	0.2
139.07579	0.6
141.06963	0.2
142.07829	0.1
143.04913	1.2
143.08540	0.4
144.05682	0.3
145.06497	1.6
146.07266	1.4
147.04424	0.2
147.08044	6.2
148.08386	0.2
149.06004	1.5
149.07144	0.2
149.09592	0.6
150.06760	6.4
151.07538	100.0
152.07863	3.9
153.09070	1.1
156.05704	0.3
157.06491	2.1
158.07281	1.0
159.04391	0.3
159.08040	1.4
160.05164	0.4
160.08841	1.3
161.05966	0.6
161.09601	1.1
162.06770	0.6
163.07539	4.0
163.08650	0.2
164.08330	2.6
165.09109	26.1
166.09497	1.4
167.07025	0.1
167.10648	0.2
171.08069	1.4
172.05246	0.1
172.08844	1.1
173.05988	1.2
173.09540	0.4
174.06757	2.4
174.10342	0.1
175.07536	3.3
176.08307	1.1
177.09105	10.1
178.09521	0.6
179.10675	1.5
181.08481	0.1
185.09651	0.5
186.06668	0.2
186.10437	0.5
187.07526	1.8
188.06566	0.2
188.08319	4.0
189.09097	8.3
190.09595	0.7
191.10658	4.1
192.11069	0.2
201.07156	0.1
201.09105	3.1
202.09857	1.6
203.10660	5.5
204.11049	0.4
205.12309	0.2
215.10567	0.6
217.12215	3.2
225.09396	0.1
231.13733	0.1
233.09468	0.1
239.10669	0.1
245.09615	0.1
249.12738	0.1
251.10600	0.1
259.11148	0.2
260.11981	0.1
261.09085	0.2
263.10480	0.1
265.12134	0.2
276.11383	0.2
277.12219	0.6
290.13181	0.1
291.13779	0.7
292.14505	0.7
293.11713	0.2
293.15219	0.2
294.12225	0.1
307.13278	0.2
308.13971	0.3
309.14804	1.6
310.15414	0.2
311.12894	0.1
322.15652	0.1
323.16409	4.7
324.16980	0.9
325.14185	0.2
326.14746	0.1
340.16681	27.2
341.17010	2.6
353.17374	0.8
355.19006	32.3
356.19382	2.8
373.20157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05514	28.1
57.03444	7.8
57.07079	12.7
63.94421	2.3
66.84313	2.5
67.05159	4.9
67.05508	76.4
68.05857	5.3
69.07072	29.1
69.44205	10.4
71.08626	7.5
72.19057	2.4
79.05498	30.1
80.05813	2.5
81.07061	100.0
82.07390	6.2
83.08624	20.7
85.10152	2.7
91.05482	23.6
93.07046	37.4
94.06764	2.2
94.07384	3.3
95.04967	4.4
95.08612	83.4
96.08955	4.6
97.06527	8.2
97.10180	14.4
98.22815	7.2
105.07034	19.3
107.08591	22.1
108.08877	2.6
109.10159	40.9
110.10472	3.7
111.08070	5.3
111.11727	6.0
111.16439	2.5
119.08622	15.8
121.06554	2.7
121.10155	26.7
123.08127	2.6
123.11716	21.1
125.13297	2.3
127.11156	3.3
129.07050	2.7
131.08539	5.7
133.10136	18.6
135.08037	4.4
135.11713	15.8
136.05208	3.8
137.13255	5.9
143.08646	3.2
147.08023	2.6
147.11684	13.6
149.13278	13.1
150.06796	3.1
151.07555	44.2
151.14862	6.0
157.10185	2.7
159.11774	2.9
161.13292	15.9
163.14824	9.2
165.09123	8.1
165.16447	5.7
175.14864	9.3
177.09119	4.7
179.17877	3.0
189.09138	3.4
189.16388	4.3
194.45848	2.6
245.22678	43.7
246.23016	3.3
253.12903	2.4
263.23700	43.9
333.19098	8.3
337.27466	29.3
340.16751	7.4
341.17108	3.1
351.20212	3.0
355.14825	2.7
355.18863	46.1
355.27209	8.8
355.34076	10.8
356.19077	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05504	28.5
55.45705	2.4
57.03444	7.0
57.07071	13.6
65.03914	3.0
67.05497	64.9
68.05836	3.1
69.07064	38.9
69.07404	3.9
69.58154	6.6
70.07394	2.3
71.04996	5.0
71.08621	12.7
79.05486	20.4
81.07053	100.0
82.07399	4.7
83.08618	23.2
85.06567	2.4
91.05461	13.8
93.07030	24.6
95.04974	4.0
95.08599	77.0
96.08953	3.6
97.06552	11.0
97.10172	18.9
99.08116	7.2
105.07012	11.3
106.07397	3.0
107.08592	20.1
109.06540	5.2
109.10149	41.2
111.08111	7.5
111.11730	5.4
119.08569	18.1
121.10123	28.4
123.11703	19.8
125.13285	2.7
131.08647	2.4
133.10126	19.7
135.11697	18.0
137.09637	2.4
137.13293	9.1
141.12692	3.1
147.11725	11.1
149.13310	12.0
151.07558	4.2
151.14799	4.2
161.13251	19.3
163.14877	11.5
165.12788	8.5
165.16310	6.3
166.13132	5.1
167.13358	3.8
175.14835	13.8
176.15260	2.6
177.16405	3.0
179.18059	3.6
189.16444	6.2
230.55984	2.7
244.25591	3.1
245.22615	43.0
246.23117	3.5
250.25781	2.3
263.23706	52.0
264.24149	2.9
291.26120	6.4
317.25049	4.3
319.25336	19.1
324.93152	2.6
335.25790	4.2
337.26819	47.2
349.80017	2.6
356.35037	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.3
55.05511	33.5
56.64351	2.3
56.96560	7.9
57.03424	8.3
57.07075	11.7
65.03945	2.2
67.05502	80.1
67.05862	4.8
69.07069	45.1
70.06579	7.6
71.04998	2.7
71.08614	7.1
79.05488	28.6
81.07055	94.5
82.07356	2.7
83.04982	4.1
83.08611	32.1
85.06527	4.6
85.10188	2.2
88.07623	8.3
91.05471	27.9
93.07038	28.3
95.04922	3.9
95.08602	80.7
95.09214	3.9
97.06525	8.6
97.10163	22.0
98.97566	3.0
99.08084	5.3
105.07029	21.8
106.08646	4.9
107.04945	5.4
107.08589	20.5
107.26201	2.3
108.05722	3.1
109.10154	43.6
110.97556	2.9
111.08114	2.6
111.11717	6.9
112.06468	2.3
115.05439	2.3
119.08574	22.5
121.06464	2.5
121.10141	27.3
123.08053	2.6
123.11694	22.3
125.09648	4.1
128.98621	5.0
129.06989	2.9
131.04942	2.8
131.08542	3.4
133.06555	2.5
133.10144	23.6
135.04425	3.3
135.08044	5.1
135.11682	10.2
136.05199	17.6
137.05919	5.9
137.09615	4.6
137.13237	9.6
145.10129	3.1
147.08072	5.8
147.11679	18.6
149.05983	3.5
149.13293	14.1
150.06766	6.1
151.07535	100.0
151.14812	6.2
152.07791	2.9
153.51323	2.9
155.14259	2.8
159.11676	3.1
161.13263	12.4
163.07573	3.0
163.14827	11.0
165.09111	20.0
165.12706	2.2
165.16388	8.7
167.14281	2.4
173.13304	2.4
175.07571	4.0
175.14828	12.9
177.09108	9.6
177.16344	3.7
179.10649	2.6
179.17940	3.8
188.08215	3.0
189.09074	7.0
189.16422	4.6
201.09004	3.3
203.10619	4.3
217.12201	3.9
245.22661	40.8
263.23718	44.4
264.24060	4.5
315.16275	11.9
318.07495	3.0
333.17264	26.9
335.53683	2.3
337.17624	4.4
337.27316	29.2
338.27744	2.8
340.16702	29.4
341.16922	3.2
351.18369	7.6
355.15283	6.9
355.18713	46.6
355.24014	7.1
355.28397	11.7
355.33893	62.5
356.18918	7.1
356.22919	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01858	2.8
55.05257	2.0
55.05508	27.3
57.03431	8.2
57.07069	17.1
58.06613	1.3
65.03934	1.8
67.05501	62.5
69.07063	40.0
69.55688	5.4
70.06592	12.2
71.04987	3.3
71.08638	9.7
73.09435	1.2
73.98093	1.1
75.04452	1.3
79.05490	18.9
81.07053	76.1
82.07363	2.0
83.04984	3.0
83.08616	27.7
85.06538	2.8
85.10185	1.9
88.07623	14.1
89.06051	1.5
91.05474	17.2
93.07043	23.9
95.04967	3.3
95.08599	65.8
97.06509	8.2
97.10156	15.8
98.10524	1.2
99.08087	4.9
101.02388	2.0
102.09172	4.1
105.04507	1.7
105.07021	13.5
106.08669	7.1
107.04967	1.6
107.08580	20.3
109.06522	1.7
109.10154	30.2
111.08078	3.9
111.11708	6.0
113.09650	1.5
117.07034	1.8
119.03445	3.0
119.08562	14.3
121.06493	5.4
121.10133	20.6
123.08063	2.2
123.11686	16.7
125.09627	2.2
125.13223	2.5
129.05498	1.9
129.07001	2.5
131.08551	4.3
133.10115	14.9
135.08075	3.0
135.11668	12.1
136.05200	5.1
137.05994	1.9
137.09621	3.0
137.13210	7.6
141.12683	1.5
143.08554	2.9
145.10089	2.4
147.07956	2.0
147.11694	8.8
149.13235	7.7
151.07552	26.3
151.11163	1.6
151.14806	5.5
153.12814	1.4
155.14305	2.2
157.10130	1.2
161.13266	12.9
163.07495	3.0
163.14793	11.2
165.09081	8.1
165.12744	3.3
165.16414	5.6
175.14836	7.5
177.09099	2.6
177.12750	2.7
177.16391	2.9
179.14436	1.8
179.17950	3.8
183.11699	1.2
185.13321	1.3
189.09129	2.0
189.16377	3.9
191.10709	1.7
193.15652	1.4
199.14838	2.0
201.16237	1.5
219.21045	1.6
227.12744	7.6
237.22058	1.7
245.22623	32.9
246.23065	2.5
247.24063	1.7
263.23694	36.4
264.24179	1.6
278.10184	1.3
297.40817	1.1
299.25674	1.6
312.32489	1.4
337.27475	21.4
338.27713	2.2
338.34000	5.6
340.16663	9.4
350.62906	1.5
355.15286	6.3
355.19128	6.3
355.26526	8.6
355.33975	5.8
356.35205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05511	13.7
56.96974	1.6
57.03432	3.8
57.07057	2.4
65.10259	1.4
67.05509	12.8
69.03417	2.0
69.07070	11.8
69.78091	5.1
71.68076	1.5
72.04498	4.4
79.05496	12.9
81.03420	3.9
81.07051	9.0
83.04988	4.0
83.08624	9.5
84.08178	1.6
91.05460	11.3
92.05816	2.7
93.07045	9.4
95.01324	2.7
95.04952	7.1
95.08609	8.3
97.06530	9.3
97.10156	10.9
98.97586	2.7
105.07027	9.5
107.04945	6.6
107.08608	14.2
109.06507	4.6
109.10168	3.8
111.02734	1.5
112.35725	1.5
115.07591	2.7
116.99312	1.8
117.06993	2.4
119.08590	7.3
121.02835	4.6
121.06512	6.9
121.10125	3.8
123.04471	2.0
123.08061	3.2
125.05957	3.3
125.09673	10.0
129.07010	2.2
131.08569	3.8
133.06593	1.9
133.10120	4.4
135.08020	7.8
135.11664	5.2
136.05212	7.8
137.05943	3.2
143.08536	1.6
145.06462	1.7
145.10167	2.4
147.08054	4.8
147.11699	3.2
148.08336	2.3
151.07552	36.5
152.07867	27.2
156.00571	1.6
157.10164	1.7
159.08076	9.8
161.09692	2.9
163.07478	2.8
165.09103	8.5
166.09473	6.3
171.11748	1.6
173.09439	2.5
175.14813	1.8
177.09073	3.2
177.12796	2.0
178.09454	3.9
189.08943	2.3
189.62091	1.6
190.09465	2.4
193.12268	5.1
203.10919	2.1
203.12793	6.5
217.14412	9.2
219.13745	2.7
221.11771	3.9
233.15370	2.3
247.13318	2.6
251.16444	3.1
274.97650	3.0
289.17963	8.3
293.19241	1.8
303.23178	5.6
341.16974	17.9
356.18951	100.0
356.26245	6.8
357.20111	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05511	12.8
56.96569	32.2
57.03450	1.7
60.17664	1.2
67.05506	24.4
69.03494	1.3
69.07068	19.9
69.09476	7.9
71.05024	1.9
71.95266	2.8
79.05498	13.9
80.63381	1.2
81.03419	2.1
81.07059	35.9
83.05004	3.9
83.08619	7.6
84.96075	1.1
85.06546	3.1
86.09732	1.4
90.27793	1.2
91.05485	15.0
93.07047	17.5
95.04969	7.0
95.08607	25.6
96.08957	1.4
97.06558	5.0
97.10186	3.4
97.96818	8.2
98.09731	1.5
98.23084	7.3
98.97599	2.0
100.81931	1.3
105.07010	12.0
107.04985	2.5
107.08600	11.0
109.06532	6.4
109.10150	10.1
110.10485	1.1
110.97571	11.0
111.08121	3.4
115.97889	4.2
117.07052	3.4
119.08584	12.1
121.06538	2.6
121.10159	9.9
123.08114	5.2
123.11736	1.4
125.09667	1.6
128.98608	17.6
129.07065	2.0
131.08540	6.6
133.10121	10.0
133.98932	1.7
135.04416	1.8
135.08102	3.6
135.11751	3.5
136.05290	1.7
137.02783	2.6
137.05975	1.3
137.09650	3.8
143.00162	1.5
143.08604	1.9
145.10139	4.6
146.99655	7.9
147.08105	1.6
147.11668	6.1
148.08372	1.6
149.09621	1.8
149.13365	3.3
151.07556	13.0
152.07881	7.1
155.03822	1.4
159.11739	3.3
161.01270	2.6
161.13345	3.4
163.14940	2.5
165.09146	2.7
166.09592	1.5
171.03371	2.2
173.13330	3.2
175.14906	2.6
185.05049	2.5
189.04448	2.7
190.05141	1.3
194.93698	1.2
195.07072	1.3
203.06004	2.1
209.08554	1.5
209.15347	8.5
221.15514	2.2
223.17043	5.3
241.11301	3.8
245.18976	1.2
259.12289	2.2
263.09799	1.5
277.11365	2.2
285.22229	1.7
289.18237	3.7
293.12122	1.2
303.12924	3.0
303.23141	16.9
312.52695	1.3
315.16306	54.5
316.16833	4.8
321.24402	4.1
331.15994	3.9
333.17368	100.0
334.17786	9.0
334.99475	1.3
341.17279	3.9
351.18439	22.4
352.18875	1.8
356.19208	45.0
356.26132	2.5
356.34686	3.6
357.20151	16.5
374.20410	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3523
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05514	7.7
56.05022	0.3
56.05822	0.3
56.60822	0.2
57.07073	1.5
58.06601	0.4
62.06057	0.4
67.37489	0.2
69.06711	0.4
69.07066	6.2
69.35895	1.3
70.06590	11.7
71.08626	0.4
81.07052	0.3
82.00430	0.2
83.08612	3.4
85.10199	0.2
88.07629	13.5
93.03175	0.2
97.10165	1.1
102.09174	3.7
106.08662	8.5
111.78773	0.2
116.18719	0.2
125.32042	0.2
162.68291	0.2
166.25296	0.3
171.37355	0.2
228.02986	0.2
244.04498	0.3
263.70255	0.2
278.53766	0.2
294.31580	0.4
312.32584	0.8
338.34128	5.8
347.06293	0.3
350.17105	0.2
356.35208	100.0
357.35532	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70970	0.3
55.05492	1.1
65.90178	0.3
67.05516	0.8
69.03427	0.7
70.06601	2.3
70.84668	0.6
71.96131	0.3
72.08150	0.8
79.05502	0.6
81.03410	1.2
81.07045	0.8
83.06085	0.6
84.04491	1.5
84.08150	2.3
85.02903	0.6
86.09692	1.1
91.05476	1.1
95.04967	0.6
95.08631	0.6
97.02814	0.5
98.06025	0.5
103.05449	2.1
105.07018	1.3
107.04943	0.9
107.08643	0.4
109.06522	0.5
111.04433	0.4
111.05562	5.7
115.05415	0.4
116.07053	1.1
119.08570	0.5
130.04979	1.1
131.04890	2.2
133.06433	1.1
135.08067	0.7
136.07625	0.6
136.09962	0.6
137.05977	6.4
137.10704	1.4
142.08627	0.5
147.04391	0.7
147.07741	0.8
149.05974	0.9
149.09601	0.7
151.03899	0.5
151.07582	2.3
161.05962	1.0
161.10764	0.8
162.06667	0.6
163.07529	5.7
163.08772	0.5
167.07028	2.1
169.13835	0.4
173.10641	0.5
175.07535	0.8
177.05458	1.2
182.15417	0.6
187.07686	0.5
193.08580	0.8
193.12299	0.8
195.06406	0.8
195.09953	0.7
196.13281	0.4
202.28558	0.4
205.09862	0.8
211.13274	0.8
224.09137	0.4
251.07407	0.4
271.16492	0.8
293.11737	0.9
313.17392	0.9
321.17859	0.5
323.19479	0.8
325.10693	0.4
325.14328	1.6
339.15594	0.8
339.19189	6.7
341.20694	0.4
357.15173	100.0
357.24786	2.6
358.15424	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
51.48835	0.8
55.01869	1.5
55.05511	0.8
65.03920	0.8
67.05508	0.9
69.76904	1.9
77.03923	1.6
79.05493	6.9
81.03375	0.9
81.07052	2.1
82.77457	1.0
89.37096	0.7
91.05478	5.9
93.07044	2.1
95.04969	3.4
95.08612	1.4
97.10192	1.1
97.65790	0.8
98.22754	1.6
98.97623	0.7
103.05453	3.4
104.99228	0.9
105.03380	1.6
105.04549	1.1
105.07022	7.0
107.04953	7.5
107.08613	1.2
108.05721	1.9
109.10158	1.2
115.05447	1.5
117.07051	2.0
119.08591	1.0
121.06506	6.8
121.10126	1.8
123.04432	3.2
123.08058	1.2
125.09630	0.8
131.04904	6.0
133.06483	18.8
134.06934	0.7
135.04410	100.0
135.08060	2.2
136.05127	5.0
136.26720	0.8
137.05983	3.3
143.08572	1.0
145.06488	4.7
145.10083	0.8
146.07234	5.1
147.08081	5.2
149.05981	3.3
150.06744	3.5
151.07538	61.1
152.07864	2.9
157.06519	1.4
159.08009	1.4
160.08797	1.5
161.06004	3.0
162.06686	1.0
163.07545	7.6
165.09114	17.1
171.08080	1.9
173.06029	1.6
175.07503	2.1
176.08298	1.7
177.09099	25.7
187.07462	1.1
188.08420	1.0
189.09096	3.0
191.08484	0.8
191.10637	1.9
201.09154	2.3
202.09851	1.4
203.10710	4.9
217.12164	2.0
270.65387	0.8
275.10263	1.0
309.14920	2.9
311.16254	1.1
321.14597	1.1
324.13498	4.4
339.15921	5.9
340.80225	0.8
357.09528	3.0
357.13031	1.4
357.20389	2.3
357.27969	2.8
371.10635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03967	0.5
55.01871	0.4
58.39568	0.2
67.05495	0.6
70.02282	0.7
77.03912	2.0
79.05498	5.5
80.06270	0.7
80.37408	0.3
81.07024	0.3
90.04723	0.5
91.05484	4.1
93.07043	0.5
95.04980	3.2
97.10144	0.3
98.22986	0.7
100.64618	0.3
103.05486	3.2
103.69601	0.3
105.03416	2.0
105.04513	1.6
105.07028	5.4
106.04202	0.5
106.07357	0.4
107.04960	5.3
108.05760	2.2
109.06515	0.4
115.05479	1.5
117.07031	2.6
119.04936	0.8
119.06014	0.3
120.05727	0.4
121.06520	5.6
123.04431	2.6
123.08068	0.4
124.46306	0.3
126.07558	0.3
128.06215	0.7
129.07001	0.9
130.04108	0.3
131.04930	5.0
131.08600	0.4
132.05682	0.4
133.06499	18.5
134.06831	0.6
135.04420	100.0
136.05286	4.0
136.60580	0.2
137.06007	2.0
143.04933	0.5
143.08583	0.9
145.06494	4.0
146.07275	5.8
147.08060	5.1
149.05962	2.8
149.09625	0.3
150.06807	2.8
151.07550	58.1
152.07881	2.3
156.05847	0.3
157.06500	1.9
158.07246	0.5
159.08076	1.3
160.05235	0.4
160.08826	1.5
161.05959	3.4
162.06749	1.2
163.07553	6.2
165.09125	13.6
166.09450	0.9
171.08066	1.2
172.08762	0.7
173.06018	1.0
174.06741	0.6
175.07574	1.2
176.08342	1.4
177.09117	25.9
178.09450	1.1
179.10689	0.8
187.07526	2.0
188.08322	1.0
189.09120	2.4
191.10715	1.6
201.09108	2.2
202.09921	1.2
203.10660	3.9
204.11150	0.3
204.40549	0.3
217.12280	1.5
221.11784	0.3
229.12068	0.3
245.12083	0.3
253.12396	0.3
263.10672	0.6
277.12277	0.6
278.13110	0.7
279.13733	0.4
282.56625	0.3
293.15381	0.3
307.13263	0.5
309.14771	3.0
311.16422	0.6
321.14908	1.1
324.13586	4.1
325.14056	0.6
339.15869	4.5
340.16315	0.6
341.98102	0.3
357.16913	0.5
357.20236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86946	0.3
61.90714	0.3
63.43762	0.3
66.98341	0.3
67.05505	0.8
69.07090	0.4
70.06598	0.9
79.05495	1.1
81.03505	0.3
81.07065	0.5
84.04487	0.4
84.08156	0.4
91.05489	0.6
91.87177	0.4
93.07040	0.8
95.08603	0.8
97.06554	0.4
105.07031	0.7
107.04926	0.4
107.08626	0.6
109.10146	0.5
111.04462	0.4
121.06493	0.4
122.03628	0.6
123.04456	0.5
129.08711	0.3
131.04941	0.5
135.04416	0.4
135.08081	0.4
137.05974	4.0
143.04927	0.3
147.08076	0.4
149.02367	0.7
149.09550	0.4
151.03893	2.1
151.07652	0.5
163.07591	0.7
167.07085	0.5
177.05507	0.4
181.05008	0.4
198.14854	0.6
203.07072	0.4
204.06560	0.7
216.15973	1.3
219.08035	0.5
233.05922	0.4
234.06667	0.5
235.07643	0.4
247.07413	0.4
269.08319	0.4
279.10345	0.5
297.07639	0.8
297.11044	0.4
307.09705	0.7
325.10776	1.1
325.14175	0.3
329.13519	0.6
339.08490	0.6
339.12354	0.4
339.18369	0.3
357.18842	100.0
358.19305	6.9
358.25906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3002
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03952	3.2
55.01872	3.4
55.05516	71.6
57.03446	11.0
57.07076	42.8
64.41470	1.8
67.05508	77.1
69.07071	100.0
69.40554	10.0
70.06601	9.8
71.04996	4.3
71.08637	21.5
75.04481	3.9
79.05495	48.5
81.07060	94.4
81.64498	2.0
82.07423	1.9
83.04990	3.3
83.08626	70.2
85.06566	3.9
85.10174	16.0
88.07626	9.8
91.05480	5.7
93.07049	53.9
94.07293	2.2
95.04988	3.4
95.08611	91.8
97.06535	33.4
97.10175	52.2
98.23531	1.8
99.08105	2.5
102.09217	3.3
103.03936	1.8
105.07013	2.2
105.08978	2.2
106.08686	6.4
107.08596	48.8
109.10156	42.7
110.44727	1.8
111.08095	9.5
111.11754	12.6
113.03076	1.9
119.08653	2.2
121.10151	93.8
122.10516	2.6
123.11728	15.5
123.12480	2.2
123.95892	1.8
125.09663	6.5
125.13268	4.0
128.92494	1.9
135.11699	68.8
136.11980	2.7
137.13258	8.1
139.11183	4.8
143.10674	2.4
149.13254	28.4
151.14842	8.5
153.12779	4.2
157.12296	2.7
159.32629	1.9
163.14804	13.6
165.16425	12.5
167.14268	4.2
171.05035	2.0
171.13847	2.4
176.47932	2.0
177.16420	8.2
181.15897	5.0
185.15495	1.9
191.17909	4.6
209.19101	3.3
213.18538	2.0
247.24231	81.4
248.24615	6.4
249.86394	2.6
262.31055	2.1
265.25290	85.0
266.25668	6.7
283.26331	8.0
339.28983	63.4
340.29251	6.1
357.29376	2.8
357.30792	2.9
357.35568	38.3
358.36798	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1648
Annotation	cis-Caseadine N-oxide
Peak:m/z	Relative Intensity
55.05479	0.5
58.06590	1.2
67.05460	0.3
68.04977	0.3
69.03378	0.5
69.07021	0.5
69.49823	0.9
70.06544	0.5
71.04960	0.4
74.02408	0.4
77.06046	0.2
79.05447	0.4
79.64496	0.3
80.05025	0.3
81.07032	0.6
84.08096	0.4
85.02856	0.6
86.09668	0.4
86.14956	0.3
87.05562	0.5
91.05428	0.9
93.06994	1.1
95.08556	0.6
98.06020	0.3
105.06966	1.0
107.04877	0.4
107.08542	0.5
109.02858	0.3
109.06477	0.4
109.10169	0.3
110.05968	0.3
111.05514	0.7
116.07079	0.4
117.06983	0.4
119.08541	0.3
120.05708	0.5
121.06446	0.7
127.03860	0.5
129.06970	0.3
131.04854	0.3
133.06094	0.6
133.10062	0.4
135.04292	0.4
137.05933	1.0
138.05406	0.4
145.06485	0.6
145.10078	0.5
146.08066	0.4
148.05002	0.3
148.09641	0.3
149.05890	0.3
151.06247	0.3
151.07382	0.2
151.11098	0.6
152.07037	0.7
153.05458	0.3
161.05948	0.8
162.05443	0.5
165.05486	0.3
166.06227	0.7
166.08604	1.1
167.06963	0.8
172.03848	0.4
173.04361	0.3
173.05925	1.0
176.06963	0.5
177.07799	0.5
179.06960	0.5
180.07744	0.5
181.08569	3.0
190.08699	1.2
195.10143	1.4
198.59047	0.3
204.06599	0.3
249.49173	0.3
250.08604	0.3
254.11664	0.6
257.10562	0.3
264.10052	0.3
265.10962	0.3
268.09665	0.5
270.07620	0.5
278.08185	0.5
281.10434	0.3
282.08325	0.3
282.11160	1.5
285.10016	0.8
294.11295	0.4
295.08286	0.6
296.09207	0.6
297.09970	0.5
298.07162	2.5
298.10440	0.4
298.14349	0.4
300.12241	2.3
309.09909	1.7
310.10669	5.4
311.11130	0.8
312.08624	0.8
313.09406	6.6
314.10049	0.8
323.19574	0.4
324.12277	0.4
325.13028	0.9
326.10443	0.3
326.13858	1.1
326.19614	0.9
327.11005	2.7
327.14420	0.4
328.11758	39.8
329.12097	3.3
340.24539	0.3
341.20837	0.8
342.13336	14.6
343.14087	20.1
344.14386	1.6
358.16452	100.0
359.16879	10.1
359.21576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2227
Annotation	Broussonetine R
Peak:m/z	Relative Intensity
53.03936	0.5
53.25375	0.5
55.01875	1.1
55.05505	1.6
56.64240	0.5
57.03420	0.9
58.06604	4.4
59.06926	0.6
60.04514	0.7
61.02910	0.7
67.05510	4.7
68.29871	0.6
69.03419	1.7
69.07063	1.3
70.06583	1.7
71.04993	1.2
72.04530	0.5
72.08144	1.4
74.02441	16.0
75.22119	0.6
79.05485	4.6
81.06629	0.7
81.07060	6.8
82.06554	0.6
83.04986	0.8
84.07672	1.1
84.08145	16.6
85.02911	3.4
86.09709	3.8
91.05476	6.9
93.07047	23.2
95.04974	5.8
95.08608	1.8
96.08131	0.7
97.02883	1.2
97.06549	1.0
100.07631	0.7
102.09178	1.9
105.07029	10.4
107.04986	0.7
107.08597	15.7
109.02936	0.6
109.05855	0.9
109.06527	10.9
109.10172	3.0
111.05563	1.2
111.08099	0.7
112.07610	0.8
113.06007	4.4
117.06999	0.5
119.08591	4.5
121.06511	0.7
121.10144	2.8
123.08083	1.3
123.11725	1.6
126.09145	1.6
127.03917	1.5
130.08647	19.9
131.08575	2.2
133.06532	1.2
133.10127	26.9
134.10474	1.3
137.05972	3.0
146.08124	1.7
147.08070	0.7
147.11693	5.5
148.09685	8.1
149.09659	2.0
149.13193	0.9
151.07526	1.6
151.11183	100.0
152.11511	4.4
154.08673	0.8
161.05975	2.3
161.09644	2.1
165.12778	1.2
167.10690	4.6
172.09702	4.6
175.11197	4.7
179.06947	1.1
179.10690	6.3
181.32332	0.5
193.12231	10.5
197.11732	37.1
232.17027	0.7
250.18057	2.8
276.19620	2.3
304.19220	2.5
322.20132	18.0
323.20239	1.0
326.19482	1.3
340.21222	18.0
341.21188	2.5
358.16144	0.6
358.18451	0.5
358.22238	6.1
359.16888	1.1
359.22208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59103	3.6
55.01876	7.8
55.05513	16.7
57.03446	5.1
59.04998	7.1
67.05509	95.4
68.05828	3.8
69.03436	4.9
69.07064	12.4
71.04993	44.8
71.46847	4.7
79.05503	24.4
81.07061	43.5
83.04981	5.4
83.08618	16.6
85.06525	10.4
87.04474	10.1
91.05482	62.9
93.07055	49.7
95.04972	20.4
95.08611	55.3
96.08982	5.0
105.07034	28.9
107.04953	3.5
107.08600	15.6
108.03212	3.9
109.06506	7.6
109.10162	91.1
111.08104	15.2
113.06029	8.7
115.05520	4.1
117.07018	8.3
119.08589	40.0
121.06510	5.4
123.08031	4.2
123.11719	5.8
129.07024	6.6
131.08580	7.6
133.09171	7.9
133.10136	100.0
134.10555	5.9
135.08080	6.0
135.11694	9.5
137.09615	56.0
139.07527	10.8
143.08554	7.8
145.03801	3.9
145.10081	5.9
151.07623	4.5
151.11212	29.8
155.10675	30.8
161.09624	28.4
169.12271	5.4
173.11745	96.5
179.10651	43.3
183.13881	5.4
187.13269	27.8
189.12880	5.3
211.13271	9.3
223.13353	5.6
227.18147	4.5
273.18463	15.0
291.19485	27.1
309.20578	15.9
348.65372	3.8
358.20483	17.3
358.27789	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05514	21.3
57.03443	7.5
57.07099	2.9
59.05005	3.1
60.50246	2.4
67.05504	81.1
69.03434	7.2
69.07082	8.4
70.98957	2.7
71.04996	43.1
73.06577	2.8
79.05495	21.8
81.07058	41.9
83.04984	6.8
83.08628	14.1
85.06541	7.6
85.24512	2.6
87.04466	9.0
91.05483	63.7
91.06051	3.5
93.07044	38.7
95.04972	15.9
95.08610	56.7
97.06536	5.5
97.10170	3.8
99.04462	4.1
99.08082	3.0
104.07099	3.7
105.07022	25.2
107.04965	5.4
107.08598	18.9
109.06532	7.0
109.10160	88.2
109.10899	5.4
111.08095	10.2
113.05978	3.2
117.07040	7.6
119.08572	40.3
121.06509	5.0
121.10158	5.4
123.08079	3.7
123.11713	3.1
125.09551	2.9
128.06273	4.3
131.08607	6.8
133.06538	3.7
133.10132	72.8
133.11142	3.6
135.04417	8.8
135.08032	5.3
135.11757	6.1
136.04771	9.2
137.06003	5.4
137.09616	45.4
139.07547	7.2
139.61296	2.6
143.08595	6.7
143.10669	3.0
147.11761	3.2
149.09641	6.9
151.07582	7.5
151.11198	29.0
152.07884	5.6
155.10654	22.6
161.09618	28.3
165.09184	5.2
169.12268	9.1
173.11742	100.0
173.13277	6.0
174.12102	4.3
175.11189	4.1
177.09106	3.9
179.10669	43.9
179.12083	4.4
183.13881	3.5
187.13315	22.2
189.12720	3.6
193.12276	5.5
211.13338	10.3
215.12767	4.5
223.13307	3.5
225.14812	3.6
255.17436	3.3
263.20020	5.8
273.18399	16.5
277.17926	12.4
279.84109	2.8
291.19537	26.0
293.17889	3.8
305.96805	2.7
309.20523	12.2
317.18045	7.3
335.19037	61.7
336.19174	3.6
358.20428	4.9
358.29614	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21393	2.3
55.01889	3.1
55.05500	7.3
55.85154	2.2
57.03434	8.7
67.05505	22.0
69.07069	23.2
70.07874	3.6
70.08247	4.0
71.04990	9.0
73.02911	2.2
79.05490	25.1
81.03431	11.9
81.07053	16.2
83.04980	4.1
83.08616	4.9
85.06561	2.5
86.06058	2.8
91.05478	17.0
93.07052	18.6
95.04958	16.3
95.08585	12.2
95.47172	2.1
97.06525	100.0
97.10156	3.0
99.08089	5.2
103.05456	2.3
105.06995	12.6
107.04982	2.6
107.08579	12.6
109.06512	7.1
109.10153	6.5
111.08086	3.1
115.07579	14.6
117.07040	6.1
119.08585	7.9
121.06449	3.9
121.10154	6.5
129.07013	3.9
131.08578	8.9
133.10149	11.9
135.08031	3.1
135.11708	8.5
145.10124	9.1
149.09618	3.9
149.13264	6.1
151.11258	2.7
159.07976	2.6
159.11711	6.4
161.09634	3.3
171.11668	3.3
177.12671	5.3
187.23862	2.4
189.18033	2.3
204.74588	2.2
273.18518	7.1
291.19525	5.0
305.21121	3.1
305.62238	2.9
312.19495	5.1
334.90244	4.6
358.20346	33.0
359.21866	21.5
375.60379	2.7
382.62625	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01877	6.5
55.05511	31.6
57.03440	13.5
65.03939	4.5
67.05503	62.7
69.03418	5.4
69.07072	69.1
69.96812	13.4
71.04997	29.7
73.02911	6.0
79.05495	76.1
81.03417	50.3
81.07061	100.0
83.04979	14.0
83.08620	20.9
85.06540	10.1
91.05485	46.9
92.87333	4.8
93.07046	62.5
95.04979	54.0
95.08613	38.3
97.06538	68.9
97.10158	10.7
99.08092	7.5
105.07053	33.8
107.04949	17.4
107.08594	31.5
109.06541	49.1
109.10168	14.0
111.08080	17.8
115.07581	55.3
117.07014	15.5
119.08588	26.8
121.06493	9.3
121.10159	29.4
123.08072	17.1
125.09650	10.5
129.06992	8.5
131.08546	34.3
133.10150	26.8
135.08054	11.3
135.11690	14.3
137.00479	4.2
137.09563	7.1
143.08548	10.4
145.10110	15.1
147.11684	19.0
149.09607	20.7
149.13304	7.1
149.62448	4.3
157.06552	4.8
157.10136	15.8
159.11690	20.0
161.09653	5.6
163.11201	7.0
164.97990	4.9
167.10693	7.2
170.67471	4.2
171.11684	8.2
173.13220	6.9
175.11234	15.0
177.12662	6.1
193.12230	71.5
211.13364	5.0
213.43608	4.8
217.15681	6.9
225.14879	16.4
255.17593	5.8
258.49817	5.0
263.20117	5.3
273.18512	11.4
291.19571	10.7
305.21118	9.3
323.22098	9.4
334.90289	12.6
343.17572	5.8
358.20197	40.4
358.24054	7.2
359.21704	11.4
372.76563	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.2
55.01869	17.2
55.05512	42.6
57.97569	7.5
67.05496	40.1
69.07045	11.5
69.34544	20.0
69.34953	27.8
71.04988	13.0
72.59470	6.9
79.05100	7.8
79.05479	48.1
81.03447	8.4
81.07063	75.2
83.04986	13.3
83.08627	41.4
85.86642	8.0
91.05477	26.9
93.07039	37.6
95.04957	26.8
95.08602	21.8
97.06526	8.9
97.10159	53.2
98.01201	9.4
98.23447	18.9
105.07012	24.0
107.04971	16.9
107.08604	32.4
108.58749	8.9
109.06525	10.7
109.10184	10.3
111.04452	45.5
111.08157	11.0
112.00553	8.1
117.07040	11.5
119.08589	35.2
121.06490	17.4
121.10149	24.1
123.08087	28.0
125.09641	39.4
131.08528	18.1
133.06525	19.8
135.04445	63.2
135.11705	12.7
136.04695	40.1
137.09616	32.8
145.10130	9.8
147.08090	13.6
151.07549	51.5
152.07899	29.7
159.11655	9.1
165.09094	11.8
177.09116	10.9
178.09492	19.4
182.34676	8.3
189.11232	47.2
203.36115	7.6
259.25992	8.3
271.48877	8.5
273.18552	22.5
291.19562	100.0
309.20627	14.5
323.22360	10.4
333.56784	8.3
334.90082	9.3
358.20074	13.7
358.23978	17.4
359.21823	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	11.9
57.03437	26.6
63.98679	12.2
67.05501	33.7
67.58937	12.0
69.07064	23.6
69.52178	57.0
78.20647	13.2
79.05506	21.1
81.07058	43.8
85.02910	11.5
91.05465	32.7
93.07047	32.0
95.04964	23.8
95.08627	13.1
97.06520	40.6
98.22594	15.8
105.07024	82.1
107.08611	20.8
109.06531	16.9
109.55141	16.5
115.07562	13.2
119.08562	23.2
121.10149	14.6
133.10092	26.9
135.08076	20.8
135.14723	12.4
147.11635	15.8
148.03946	25.3
151.07523	25.0
189.09056	17.3
218.99202	13.9
224.57634	12.8
311.08673	14.4
334.90396	26.2
358.20331	57.6
358.27460	29.8
359.21936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.7
55.05517	19.8
58.39360	9.4
67.05508	47.2
69.03406	11.5
69.07063	46.9
69.27447	25.9
69.27858	31.9
71.04984	25.5
79.05486	38.0
81.03417	35.9
81.07066	64.6
83.04980	18.1
83.08631	10.7
91.05471	35.9
93.07035	42.5
95.04972	38.7
95.08604	28.3
97.06528	100.0
98.22748	14.8
105.07027	40.6
107.04977	15.3
107.08549	25.2
108.85755	10.2
109.06510	40.2
109.10153	21.4
115.07563	35.5
117.07034	15.8
119.08570	17.3
121.10119	22.0
125.09599	15.2
131.08580	15.7
133.10138	29.4
135.08023	18.1
137.05968	13.2
145.10156	13.9
147.11694	13.9
151.07565	16.7
157.10092	11.8
159.11696	15.3
171.11566	11.5
177.12749	14.6
191.15472	11.7
195.13712	15.6
202.14360	10.7
287.16354	12.4
291.19559	70.0
296.01874	11.0
305.17447	29.1
309.20602	17.7
310.24509	10.7
334.90488	13.4
358.20447	29.6
358.27609	11.4
359.22021	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	5.1
51.19425	4.2
53.03958	6.5
55.01869	8.3
55.05515	41.4
57.03437	21.2
67.05511	48.9
69.03429	6.3
69.07073	33.3
69.82639	14.9
71.04984	8.4
79.05492	82.1
81.03422	17.0
81.07061	100.0
81.11059	4.3
83.04996	13.6
83.08624	18.5
85.06577	8.4
88.07629	7.3
90.87383	4.8
91.05466	28.5
91.62958	4.2
93.07044	70.3
94.82682	5.4
95.04985	24.0
95.08596	29.7
97.06544	17.2
97.10172	20.9
98.22821	7.3
105.07013	29.7
106.92306	5.7
107.04948	16.6
107.08617	33.7
109.06522	57.4
111.08100	9.7
113.05995	6.0
117.06992	9.7
119.08569	20.9
121.10152	42.0
121.82486	4.4
123.08063	19.4
125.09634	23.8
125.94038	4.9
129.07089	5.5
131.08559	25.1
133.10132	12.9
135.08041	11.3
135.11707	10.4
139.11191	15.0
145.10115	11.5
147.08073	5.6
147.11652	6.7
149.09631	21.8
149.13287	5.8
153.09116	7.9
159.11713	8.2
161.09647	6.8
162.29594	4.6
163.11221	7.7
167.10742	6.2
167.61555	4.5
173.09676	5.3
173.13353	7.4
175.11160	9.8
177.12791	6.4
203.12764	11.2
223.13310	12.5
227.12743	7.5
232.98067	5.2
237.14807	6.8
263.20267	7.0
265.19815	4.8
273.18604	15.8
291.19586	15.6
305.21115	13.1
313.81708	5.2
323.22287	7.9
340.19397	9.1
340.24780	11.2
358.20358	60.4
358.24786	9.2
359.21692	8.6
367.63998	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28251	9.0
52.76951	8.0
55.05504	41.0
56.96569	11.8
57.03450	7.9
57.07068	17.8
62.07061	7.6
67.05508	70.4
69.07068	44.9
69.81799	18.5
69.82158	18.1
71.04989	11.0
71.08629	15.0
72.08161	9.5
79.05489	36.1
81.07067	100.0
83.04989	24.7
83.08635	24.9
87.04475	26.9
87.59127	8.2
91.05491	34.0
93.07058	74.4
95.04972	13.4
95.08596	74.0
95.16763	9.3
97.06512	17.5
97.10197	10.6
98.22862	18.8
99.08118	16.1
105.07030	35.7
107.08598	24.7
109.06564	8.6
109.10161	36.3
119.08592	28.2
121.10192	42.5
131.08580	20.1
133.10130	28.6
135.11688	19.4
139.11200	26.0
145.10077	12.8
147.11633	9.7
149.13216	9.4
151.11197	13.6
151.85179	7.8
161.13289	17.8
175.14702	8.7
186.61523	8.4
187.14832	12.8
223.16969	42.6
290.17355	9.3
291.19559	10.2
305.24789	67.9
317.17841	21.6
323.25742	23.6
332.38202	9.0
335.18915	45.9
353.20349	9.6
358.20135	14.5
358.23730	24.1
358.32922	29.1
358.36914	27.5
359.21912	22.1
359.25934	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
63.23813	1.1
63.41858	1.3
67.05492	1.5
69.03441	1.6
69.07066	2.9
70.04086	3.2
70.06610	1.5
71.05067	1.1
72.08164	1.5
73.04183	1.0
73.18582	1.2
77.03907	1.8
79.05107	1.0
79.05477	6.5
81.03402	1.2
81.07071	4.2
84.08128	2.1
86.09715	27.0
87.10043	1.8
89.26254	1.1
91.05482	21.0
93.07041	2.6
94.04162	1.7
95.04986	3.4
98.23419	1.4
103.05453	7.1
105.03395	3.1
105.07030	7.9
107.04949	4.3
107.08611	1.5
109.06530	6.5
111.04533	1.4
111.05565	1.3
115.05451	3.8
117.07028	2.4
119.04951	22.4
119.08598	2.8
121.06510	6.1
122.03651	4.3
123.04475	1.2
123.08061	2.4
129.06998	2.7
130.04207	1.7
131.04933	9.4
132.05653	1.1
133.02841	1.4
133.06491	6.1
133.83658	1.3
137.05986	88.7
138.06331	2.4
143.04921	1.7
145.06503	3.0
147.04424	12.3
147.08127	2.1
149.06012	10.0
150.06781	2.0
151.07504	9.1
159.08090	3.7
160.05228	1.5
161.05992	25.0
162.06776	8.9
163.07538	2.9
167.07071	3.0
173.05882	1.2
174.04565	1.5
174.06726	1.4
175.07562	17.9
179.07077	8.1
187.07549	9.6
189.09135	1.6
190.06248	1.4
190.07831	1.6
191.08627	3.4
193.08658	6.2
199.18002	6.3
200.18271	1.8
203.08600	1.7
205.06827	1.6
205.08577	14.9
206.07167	2.5
207.08096	1.6
219.08110	3.8
221.09804	1.5
227.17551	2.3
231.07997	1.9
235.07643	1.9
240.07738	1.7
247.07552	3.3
251.10706	2.3
253.08556	1.9
259.07605	1.5
263.10657	1.5
269.08176	1.8
273.13034	1.4
279.10156	2.4
291.10071	2.5
296.10489	2.1
299.08960	1.6
309.11154	5.0
311.12863	4.1
315.14240	10.9
317.12787	1.8
327.19998	2.4
341.10083	1.5
341.20624	1.3
358.22217	8.6
359.13129	100.0
359.22421	8.8
360.13586	3.9
371.32846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1336
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.69077	1.7
55.01870	4.9
55.05498	3.9
57.03424	1.8
58.06586	3.6
60.04508	1.9
61.02908	2.0
62.32030	1.6
63.09074	1.7
65.03949	1.8
67.05499	3.5
68.05016	1.7
69.03429	3.4
69.07073	3.0
69.32807	7.2
69.33232	2.8
70.06591	8.1
71.04970	2.6
72.08147	22.7
73.02914	12.9
79.05473	3.1
80.04998	2.3
81.03407	9.0
81.07023	4.3
83.04967	3.4
83.06075	2.4
83.08614	1.6
84.04501	5.1
84.08128	7.9
85.02908	12.4
86.09703	44.7
87.10057	2.0
89.89591	2.0
91.05482	7.3
93.07025	3.6
94.06586	2.5
95.04947	5.3
95.08617	2.2
96.04494	3.2
97.02876	4.8
98.23537	3.3
100.11275	2.0
102.05536	1.9
103.05458	6.2
105.07004	2.3
109.02881	3.6
110.06059	2.6
110.99216	1.7
111.08086	1.8
113.05997	3.3
114.05471	1.9
114.09136	3.3
114.10295	2.6
115.05479	2.9
116.07045	3.1
116.98602	1.6
119.04886	3.1
122.06068	3.4
123.04410	2.0
125.06007	19.1
127.03900	5.6
129.10211	5.8
131.04919	13.9
131.12920	4.1
132.10196	2.2
133.06471	2.3
134.05991	2.1
136.07603	3.2
137.05966	25.2
138.05479	2.4
140.07034	4.9
141.05481	2.2
143.11775	3.3
145.04887	3.2
147.04437	4.7
149.05962	3.4
151.03899	50.3
151.04944	2.6
151.07520	3.5
161.05943	4.3
163.03889	4.9
163.06233	1.9
163.07497	8.4
165.06589	2.4
175.07570	8.3
178.12256	1.7
179.07036	14.7
179.08441	2.7
181.04906	4.2
183.11258	1.8
187.07567	2.1
197.08084	50.9
203.13945	3.7
219.08049	2.2
228.13460	2.8
239.10603	2.3
242.14998	3.2
248.16429	3.7
265.08572	3.9
266.17429	2.3
278.17484	3.8
279.10150	3.8
297.11432	3.2
299.12711	5.1
306.16986	2.4
311.12744	5.2
317.13861	4.9
324.18024	2.9
342.19113	5.3
358.27072	2.7
359.02979	2.3
359.17188	21.0
359.26639	5.0
360.20163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05244	1.8
55.01874	6.3
55.05502	4.2
57.71919	2.3
58.06591	2.1
65.03919	2.3
67.05490	8.2
68.05021	3.6
69.03417	3.5
69.07064	6.0
70.06591	10.4
71.05003	2.3
71.56970	2.1
72.04514	5.9
72.08143	5.7
79.05492	7.7
80.47831	1.9
81.07053	11.0
84.04500	12.6
84.08139	7.2
85.02911	7.1
85.06541	1.9
85.34087	1.9
86.09705	56.1
87.05572	4.4
91.05476	14.6
93.07043	6.6
94.04162	2.8
95.04956	5.1
95.08607	3.5
96.04497	4.7
97.02886	4.7
98.23470	6.1
102.05564	2.6
103.05466	7.5
105.07017	8.9
107.04972	4.5
107.08578	4.7
109.06527	5.5
109.10118	2.6
111.05568	11.8
112.07586	2.8
114.05540	9.0
114.09109	2.0
115.05413	3.1
116.07197	2.7
117.07058	3.2
119.04944	14.8
119.08555	2.6
121.06499	4.5
121.10174	2.2
122.03641	4.8
122.06051	2.8
125.06023	3.2
127.03880	4.0
129.07021	11.6
129.10240	2.3
130.04967	10.8
131.04950	9.8
131.08563	2.7
132.10300	3.3
133.06482	4.3
133.10123	6.6
137.05968	100.0
138.06293	4.8
138.09142	2.1
141.10202	5.2
142.04974	2.7
143.11801	4.2
144.05714	3.0
145.04941	1.9
145.06490	3.9
147.04417	8.3
147.07939	2.8
149.05986	6.0
149.09650	4.9
151.03899	16.0
151.05035	4.3
151.07533	7.5
151.11163	4.5
153.05460	1.9
155.11772	2.4
157.06483	8.1
159.08044	1.9
160.05209	3.9
161.05954	13.8
162.06779	4.9
163.07550	8.4
165.06894	2.4
167.07127	2.4
168.13908	2.9
172.05270	3.0
174.06830	5.1
175.07550	30.7
179.07045	8.7
179.08434	2.1
183.11299	3.5
186.14880	3.6
187.07542	26.8
189.09128	9.6
191.08551	4.0
200.13951	12.2
201.14063	2.8
202.07677	2.1
203.08598	3.9
205.08594	8.0
211.07677	3.4
217.08585	6.3
219.08058	7.0
222.11322	2.7
227.07179	3.0
228.13406	8.6
231.08145	3.6
232.08957	2.0
234.14940	15.0
237.09050	2.1
247.07513	5.9
248.08305	5.9
251.10641	3.0
252.15892	12.6
253.08681	1.8
256.07120	2.0
259.07538	2.3
260.08218	2.1
263.10593	4.6
264.07602	2.4
265.08582	2.5
270.08881	5.9
271.09482	3.1
276.07724	2.8
279.10043	10.3
280.15503	5.5
283.09653	3.0
291.10187	12.2
297.11069	2.2
299.12820	2.3
304.69980	2.0
309.10846	1.9
311.12805	14.6
315.19135	26.4
316.17426	15.4
323.12888	10.4
327.20041	7.7
341.13971	16.4
341.20694	9.6
342.09723	2.6
342.13525	3.6
359.15378	6.6
359.22461	29.0
360.14325	7.4
360.19666	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.8
55.05501	3.1
55.46378	2.4
65.17599	2.7
67.05479	2.9
69.07072	6.2
70.02921	2.8
70.06593	5.6
70.62080	3.4
74.02426	2.6
75.05629	2.8
79.05482	7.0
80.60113	2.7
81.07047	9.8
84.04507	9.9
84.08146	7.0
85.02902	7.2
86.09708	100.0
87.05594	7.4
88.03973	2.4
91.05485	11.1
93.07050	4.7
95.05003	3.9
96.04489	2.7
96.08135	4.5
97.02898	2.8
98.02394	4.2
103.05470	5.9
105.07012	3.8
107.04922	3.3
107.08645	6.3
109.06522	4.9
109.10166	3.6
110.02377	2.8
111.05563	17.4
113.10755	3.0
114.05522	6.4
117.06952	2.8
119.04948	11.4
120.08117	2.7
122.03622	6.8
129.07008	10.3
130.05005	7.4
131.04919	14.0
131.08455	2.9
132.10197	8.7
133.10156	6.2
137.05980	88.2
138.09117	7.6
141.10272	12.9
142.05028	2.6
143.11789	12.9
144.05696	2.8
145.06456	3.7
147.04410	7.1
149.05989	6.1
149.24042	2.9
151.03900	19.2
151.04997	6.4
151.07555	5.5
151.11160	5.9
153.05414	4.2
155.11790	14.4
157.06480	7.2
160.05214	3.6
161.05998	9.5
162.06750	3.5
163.07530	6.5
166.08688	4.3
167.07060	3.4
171.11182	3.5
174.06848	4.9
175.07549	35.5
179.07033	9.7
182.15451	3.0
183.11302	11.5
187.07558	27.7
188.07898	2.9
189.09117	12.9
189.12404	4.1
197.11725	7.4
200.13940	54.4
201.12302	3.8
203.08557	4.0
205.08568	4.7
217.08502	6.4
219.08098	5.2
227.06990	3.2
228.13469	19.2
229.11923	3.7
231.07991	4.7
234.14935	13.7
245.18689	4.4
248.08310	5.7
252.15913	5.7
263.10797	3.2
264.07761	3.3
265.08469	3.8
270.08838	8.0
271.09647	4.6
276.07803	3.1
279.10104	9.5
291.10165	13.9
296.10333	5.2
297.11319	3.5
309.11099	4.1
311.12854	12.6
315.19205	9.5
316.17535	23.0
323.12830	14.6
323.19708	5.3
325.17386	3.4
341.13867	17.3
341.20850	14.4
342.13837	4.7
359.14975	11.0
359.22440	10.1
360.14404	5.7
360.19904	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.05495	0.9
60.21737	0.8
65.03951	1.3
69.67613	2.8
70.06580	0.9
77.03951	1.1
79.05498	4.6
81.03433	1.1
81.07042	1.6
85.02900	1.0
86.09718	2.4
87.10049	1.0
91.05486	21.0
92.38213	0.8
93.07053	3.1
94.04201	2.7
95.04996	3.6
97.06570	1.1
103.05474	11.7
105.03402	4.0
105.04525	1.3
105.07022	10.5
107.04980	5.2
109.06554	4.3
109.10166	0.7
115.05512	3.6
117.07034	2.5
118.04179	0.8
119.04950	22.9
119.08604	2.1
121.06490	6.1
122.03653	7.3
123.08030	1.8
128.06262	1.2
129.07008	3.0
130.04134	1.0
131.04922	11.7
132.05688	1.0
133.02870	1.5
133.06482	7.9
135.04417	1.6
135.08080	1.3
137.05983	100.0
138.06303	2.4
143.04977	1.5
144.05736	2.2
145.06522	3.3
146.03699	0.9
146.07210	0.9
147.04422	15.2
147.08081	4.9
148.04782	1.7
148.79350	0.9
149.05998	11.9
150.06754	1.8
151.03943	2.1
151.07553	12.2
159.08087	4.2
160.05251	2.1
161.05988	29.2
162.06786	9.4
163.07578	4.3
163.11237	1.2
172.05241	1.6
173.05989	1.9
175.07558	25.0
177.09183	0.9
179.07071	9.7
179.08517	0.9
187.07555	13.2
190.06252	1.6
190.07793	1.0
191.08582	3.4
193.08588	8.6
194.07152	1.3
203.08586	2.3
205.06819	1.0
205.08606	12.6
207.08133	1.3
217.08652	1.3
218.07260	1.0
219.08044	5.4
220.08786	2.1
230.39954	0.7
231.08113	2.7
233.34245	0.9
235.07555	1.8
235.09727	1.3
247.07588	2.9
248.08318	1.4
251.10712	6.0
253.08545	1.4
259.07504	1.6
263.10605	1.1
264.07822	1.2
265.08682	1.6
269.13669	2.6
276.07782	1.1
279.10168	4.1
281.08099	1.1
291.10147	2.7
296.10403	3.1
309.11349	4.2
311.12833	3.6
323.12842	1.7
327.20145	1.3
329.13531	0.9
341.13892	1.6
341.21143	1.0
343.85977	0.8
359.12863	1.3
359.17181	4.1
359.22702	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
55.01872	3.0
55.05494	0.9
56.37822	0.7
60.04515	0.9
65.03916	0.9
67.05511	0.9
68.05024	2.0
69.03431	2.4
69.07063	0.9
70.06599	3.0
72.08159	1.3
79.05496	4.7
80.05013	2.7
81.03390	1.5
81.07053	2.0
84.04514	1.3
85.02918	1.4
86.06054	0.8
91.05475	23.3
93.07052	3.8
93.82297	0.7
94.04186	2.6
95.04963	3.8
96.04459	0.9
98.06073	5.4
103.05461	6.7
103.09624	0.8
105.03407	3.7
105.07035	9.0
106.06577	1.3
106.07311	0.7
107.04288	0.9
107.04942	6.3
109.06469	4.3
111.04436	1.1
112.29193	0.8
115.05474	3.6
116.07079	1.5
117.07030	2.6
118.06518	1.5
119.04941	24.4
119.54505	0.8
121.06487	5.3
122.03640	6.8
123.08048	2.2
128.06186	0.8
129.06999	2.8
130.04198	0.8
131.04942	3.9
132.05692	1.2
133.02846	1.1
133.06496	6.9
134.03645	0.9
134.08127	12.1
135.04422	1.9
135.08086	0.8
136.06149	1.4
136.07568	1.3
137.05977	100.0
138.06319	3.1
143.04910	1.4
144.05688	2.1
145.06470	3.1
146.07268	1.0
147.04399	17.4
147.08025	3.1
149.05984	10.3
150.06673	1.9
151.07532	10.1
152.07043	1.3
155.04926	1.1
157.06535	0.8
159.08035	3.9
160.05157	2.1
161.05981	23.6
161.07326	1.4
161.09793	0.8
162.06761	7.7
163.07460	2.2
164.07051	0.8
165.05498	0.9
172.05171	0.9
172.09676	7.8
173.05981	0.9
175.07542	19.7
176.07964	0.9
177.09097	1.2
179.07072	8.0
179.08504	1.4
182.08141	2.0
187.07539	12.7
187.09058	1.3
190.06241	1.6
190.07771	1.7
191.08556	2.6
191.29446	0.8
193.06876	0.9
193.08664	8.6
193.12396	1.0
194.07306	0.7
198.11240	1.2
200.09180	20.0
202.07768	1.3
203.08563	3.0
205.06670	1.3
205.08580	12.8
206.08789	0.8
207.08014	1.2
219.08075	6.3
220.08684	1.5
225.09148	0.9
231.08032	2.4
235.07532	1.4
235.09708	1.2
236.08281	1.5
237.09100	1.5
247.07588	2.1
248.08334	1.0
251.10693	5.2
253.08466	1.3
259.07648	1.8
263.10648	1.9
264.08002	0.7
267.09064	1.6
269.11914	0.9
279.10147	5.8
281.08102	0.8
285.10077	1.0
291.10178	3.2
296.10474	2.5
297.11151	0.7
299.11993	1.2
309.11093	3.5
311.12720	4.2
323.12830	1.4
341.13828	1.8
344.02969	0.8
359.22302	0.7
360.20139	17.1
360.24399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05516	0.9
65.03947	1.5
67.05518	1.2
68.05035	1.4
69.03433	1.1
69.46678	2.5
70.06595	1.0
73.57143	0.6
77.03925	0.8
79.05491	4.7
80.05016	1.0
80.36558	0.7
81.07059	1.7
83.04956	1.0
85.02924	1.1
91.05488	20.6
93.07040	3.3
94.04188	2.7
95.04982	2.7
98.06065	3.7
98.22574	0.7
102.04703	1.1
103.05469	5.0
105.03404	3.3
105.04538	0.9
105.07037	7.6
107.04965	4.3
107.08619	1.0
109.06547	4.6
115.05508	3.6
116.07066	1.0
117.07014	1.5
119.04949	23.6
119.08601	1.9
120.05186	0.8
121.06532	4.7
122.03661	7.9
123.04441	0.9
123.08125	1.6
128.06241	0.7
129.06996	1.6
130.04163	1.4
131.04939	4.1
131.05879	0.8
132.05719	1.1
133.02841	1.6
133.06499	7.4
134.03545	0.7
134.06018	1.2
134.08148	7.1
135.04410	2.1
137.05989	100.0
138.06339	2.6
143.04918	1.5
144.05722	0.8
145.06517	2.8
146.03641	1.1
147.04411	13.4
147.08051	3.6
149.05995	8.8
150.06726	2.0
151.07579	10.4
158.42757	0.7
159.08043	4.3
160.05225	2.0
161.05994	23.8
161.07346	1.4
162.06767	7.8
163.07588	1.7
165.09055	0.7
172.05249	1.9
172.09682	4.6
173.06049	1.5
175.07556	21.0
177.09106	1.4
179.07050	7.3
182.08234	0.9
187.07542	13.7
189.09145	0.8
190.07790	1.4
191.08588	4.0
193.08585	7.3
198.11263	1.1
200.09209	11.8
202.07849	1.1
203.08611	2.3
205.06734	0.9
205.08611	13.3
207.07993	1.1
208.08850	1.0
210.06812	0.8
211.07613	0.9
217.08603	1.0
218.07219	1.4
219.08080	4.1
220.08881	1.3
231.08102	2.9
232.08615	0.7
235.07523	1.0
235.09735	1.4
236.08363	0.9
237.09079	1.2
247.07608	2.1
248.08315	2.1
251.10658	5.0
259.07620	1.5
263.10733	1.7
265.08698	1.0
267.09174	1.5
269.11685	0.8
276.07562	0.8
278.93579	0.8
279.10196	4.6
285.10123	1.3
290.79797	0.8
291.10114	1.8
296.10437	1.5
297.11032	1.1
297.59369	0.7
304.75995	0.7
309.11328	4.0
311.12723	4.1
317.12674	0.8
323.12558	1.4
329.14026	1.3
341.13754	1.1
359.22266	1.7
360.20200	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03933	0.5
54.34548	0.4
55.01859	0.9
55.05513	0.4
55.14484	0.4
55.97135	0.3
57.03426	1.3
61.02919	1.4
67.05494	0.9
69.03432	3.3
69.07057	0.9
70.06582	0.8
71.04986	0.7
71.18401	0.4
72.08106	0.5
73.02911	0.7
74.02420	0.7
79.05499	2.6
81.03408	1.4
81.07063	2.3
83.06076	0.6
84.08140	1.2
85.02904	9.7
86.09698	7.5
87.04451	0.5
87.05611	0.5
88.03985	0.8
91.03953	0.7
91.05476	3.3
93.07040	5.9
95.04950	0.8
95.08591	0.8
97.02915	2.1
97.06509	0.5
98.06063	0.5
99.04429	0.7
103.05461	0.6
105.07025	6.8
107.04932	0.6
107.08590	31.2
108.08929	1.2
109.02876	1.1
109.06487	1.2
109.10130	1.7
111.05563	2.2
114.05535	0.5
116.07120	0.6
119.04962	0.6
119.08562	4.8
121.06483	0.6
121.10165	5.4
122.10455	0.4
123.08064	0.5
123.11710	0.8
127.03914	1.8
131.08504	0.9
132.10196	0.5
133.10124	18.9
134.10497	0.8
135.11719	0.6
137.05975	1.7
139.07500	1.2
141.10167	0.5
143.08539	0.9
143.11806	1.1
145.04980	1.4
149.09612	4.4
151.03941	0.8
151.07565	1.0
151.11169	9.4
152.11551	2.0
156.10225	0.9
161.09612	4.8
163.07552	0.5
163.11031	0.4
167.10667	12.1
171.11205	0.6
179.07178	0.5
179.10643	14.7
180.10915	0.6
187.07460	0.5
189.12335	0.9
197.11723	100.0
198.12050	5.0
200.13963	0.9
201.12337	4.3
211.13095	0.4
228.13676	0.6
229.11884	1.2
288.07602	0.4
323.19913	0.9
341.15674	0.4
341.21039	1.8
342.19046	2.0
359.16684	2.3
359.22330	0.5
360.20139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1705
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03936	0.5
55.01870	1.3
55.05511	0.9
57.03442	0.8
59.04993	1.3
61.02915	1.2
63.17673	0.6
66.64050	0.5
67.05514	1.2
69.03422	3.0
69.07067	4.1
69.79886	1.7
70.02953	0.9
70.06600	3.0
71.04985	1.1
72.08144	1.7
73.02908	1.1
79.05502	1.6
81.03405	2.3
81.07060	2.2
83.05000	0.6
84.04497	2.0
84.08147	1.2
85.02407	0.8
85.02912	14.8
86.09715	25.2
87.04458	0.8
87.05589	2.9
87.10045	0.7
91.05467	4.8
93.07045	6.5
95.04959	2.7
95.08608	0.8
97.02902	4.3
97.06524	1.1
98.02407	1.0
98.22716	0.5
103.11163	0.5
105.07040	6.8
107.08599	17.4
108.08913	0.7
109.02878	1.5
109.06518	1.6
109.10158	1.9
110.02461	0.9
111.08064	0.5
113.10761	0.6
114.10302	0.6
116.07096	0.9
117.07072	0.9
119.04935	1.7
119.08570	2.6
121.06487	2.4
122.10470	0.6
123.04436	0.8
123.08069	1.0
123.11713	0.8
127.03915	3.2
129.10315	0.7
130.05006	0.9
131.11827	0.6
133.06062	1.4
133.09183	0.9
133.10144	17.2
134.10501	1.1
135.08044	0.7
135.11696	16.6
136.12007	0.9
137.06003	5.4
137.09604	1.9
138.09135	0.5
141.10190	3.1
145.04950	2.2
145.10114	0.6
147.04385	0.9
148.06018	0.8
149.09584	1.0
151.07549	0.9
151.11212	1.6
155.11784	1.5
161.05983	1.2
161.09630	10.2
162.06773	0.7
162.09804	0.7
163.03938	0.5
163.11192	1.2
166.08644	2.4
169.08585	2.4
169.09904	0.6
175.07542	1.2
179.10677	35.4
180.11073	1.1
183.11282	2.1
187.07535	0.8
187.10832	1.3
191.10646	0.8
193.12280	0.6
194.12790	0.6
197.11734	100.0
198.12099	3.8
200.13928	4.0
205.08629	0.7
211.10742	1.3
212.09195	2.2
212.13631	1.4
213.12135	0.6
227.12706	1.1
228.11333	0.7
228.13457	6.9
229.11899	1.2
246.14452	3.1
251.14786	0.6
262.98041	0.5
276.21414	0.6
296.19553	0.8
317.14908	0.6
342.19766	0.8
359.18887	1.0
359.22867	1.2
360.19955	1.1
364.57498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1855
Annotation	Virolin
Peak:m/z	Relative Intensity
51.01761	0.5
51.22093	0.5
51.98020	0.4
55.05498	0.8
57.03441	0.5
65.03938	0.5
67.05489	1.0
67.56313	0.4
69.03439	0.5
69.07046	0.6
70.06597	0.6
76.26386	0.5
77.03958	0.4
79.05481	2.3
80.06248	0.5
81.03423	0.5
81.07047	1.9
83.05003	0.4
83.08623	0.5
85.02910	0.5
87.04471	1.4
91.05470	5.3
94.04193	3.8
95.05004	1.1
95.08620	0.7
103.05470	3.7
105.03335	0.6
105.07040	5.5
106.04160	0.6
107.04942	6.2
107.08574	0.7
108.05738	2.6
109.06490	2.1
115.05481	1.2
117.07005	2.4
118.04195	0.5
119.04928	0.8
119.08573	1.2
121.06500	6.0
122.03641	10.2
123.04428	0.9
127.03890	0.7
128.06209	1.0
129.06964	0.9
131.04915	5.8
132.01173	0.8
133.06488	22.1
135.04393	2.7
135.08044	1.2
136.05196	5.4
137.05972	100.0
138.06284	3.0
139.07573	0.7
143.04922	0.5
143.08502	1.0
145.06487	4.1
146.07269	6.4
147.04340	0.5
147.08043	7.8
149.05974	1.6
150.06769	1.8
151.07538	80.5
152.07880	3.0
157.06480	1.5
158.07205	0.9
159.08041	1.1
160.08794	0.8
161.05930	2.8
161.13235	0.8
162.06729	1.9
163.07549	9.0
164.08118	0.7
165.06975	0.7
165.09100	8.3
171.08046	1.6
173.06013	0.5
174.06715	1.0
175.07471	2.4
176.08284	1.3
177.09102	24.5
178.09473	1.0
179.10561	0.6
182.07294	0.5
187.07513	0.7
188.08331	1.3
189.07568	0.5
189.09076	3.5
191.10713	2.4
193.06467	1.0
201.08920	1.0
202.09877	0.6
203.06900	0.8
203.10628	3.1
207.08086	0.5
210.06700	0.8
217.12170	1.6
221.05952	1.1
225.08975	1.2
230.12045	1.6
238.06192	0.9
245.04765	0.6
253.08560	2.5
254.08899	0.5
267.10046	0.9
277.08539	0.8
278.12933	1.1
285.11224	5.0
309.11493	0.8
309.14786	3.4
310.15240	0.4
326.15146	6.4
327.12225	5.0
327.15598	0.9
341.17441	2.9
359.22131	2.7
359.72339	0.6
360.18237	0.8
360.25266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Lutessine
Peak:m/z	Relative Intensity
53.03961	0.8
56.05038	1.0
58.06593	1.7
61.58751	0.6
69.03425	1.3
69.15498	4.5
70.06593	6.6
72.08136	1.9
78.46304	0.6
79.05484	1.3
81.03422	0.7
81.07073	0.8
83.16606	0.7
85.02898	2.9
86.09703	6.1
87.05541	0.7
87.10030	0.9
91.05469	2.2
93.07014	0.8
94.06542	1.5
95.04978	1.3
95.08608	1.0
97.02882	0.9
98.22651	1.3
105.07018	1.3
106.06618	0.9
107.08566	1.0
108.04443	0.9
108.08096	0.8
110.06036	1.6
113.00021	1.0
114.09156	0.7
115.05460	1.5
116.07069	0.8
117.06996	1.5
118.06556	0.7
119.04916	0.9
120.08102	1.2
121.06470	0.7
124.07585	2.0
127.03953	1.8
130.04071	0.7
133.02780	0.8
133.06505	1.2
134.05994	3.3
135.08044	0.7
136.07549	1.1
137.05959	4.0
137.67802	0.6
138.06343	0.8
138.09061	0.9
145.04974	1.2
145.06470	3.1
147.08066	1.2
149.02318	8.3
152.07057	2.5
160.07529	0.9
160.70221	0.7
161.06015	1.9
161.08353	15.2
162.05399	0.9
162.06644	1.0
163.03926	4.3
163.07481	1.9
167.07008	2.7
167.08337	0.7
173.05971	3.2
175.07545	1.0
177.05524	1.5
178.08661	2.2
181.04956	2.3
181.08556	3.9
189.07874	7.7
190.08131	0.8
191.07014	2.3
192.10172	1.8
193.08656	1.2
195.07977	0.8
199.07486	0.9
201.09053	0.8
205.08618	2.1
206.08072	3.8
207.08846	6.4
210.09160	1.2
211.07562	1.3
220.09674	6.7
221.10455	2.4
222.11238	59.7
223.07564	1.0
223.11594	3.6
224.10748	1.2
225.09286	1.5
225.11389	1.3
226.12180	0.8
228.10060	0.9
229.15544	1.6
235.12015	1.7
238.08572	1.3
239.09402	1.6
240.10155	2.6
241.11035	1.0
242.11816	1.1
244.09558	1.0
252.10237	1.6
253.10957	4.2
254.11751	1.9
256.07306	1.3
256.09494	4.1
258.11212	3.3
266.08203	1.7
267.08997	0.8
268.09781	1.3
270.11215	5.0
271.09534	2.8
271.12073	2.7
272.12720	4.7
273.13464	1.3
280.09711	1.1
281.10449	2.4
282.11230	2.9
283.09467	1.0
284.09268	7.7
286.11179	1.1
286.14383	3.9
288.15790	0.9
298.10745	6.0
299.11438	4.6
300.12122	1.2
301.13150	1.4
302.10220	5.6
312.08627	2.3
314.13818	10.3
315.14285	1.1
316.11859	1.4
316.15219	4.3
317.12518	1.8
326.10156	1.9
327.11047	6.4
332.14914	38.6
333.15280	2.2
342.13345	67.2
343.13766	5.9
345.12000	3.1
360.14389	100.0
361.14731	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01864	6.5
57.03433	6.6
61.02919	8.0
64.91296	1.2
69.03429	33.5
70.35255	1.5
70.35590	2.6
71.05008	2.2
73.02914	5.7
76.71597	1.1
81.03423	6.8
83.44426	1.2
85.02905	100.0
86.03262	2.1
87.04501	1.4
91.03963	4.3
97.02889	34.2
99.04453	8.0
100.43742	1.2
101.02390	5.3
109.02866	10.0
115.03963	3.0
127.03915	74.4
145.04959	69.8
145.46284	1.1
163.06023	23.4
180.08693	3.4
181.07074	4.0
198.09843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.9
57.03435	9.2
61.02920	5.6
69.03427	31.5
70.67460	2.5
73.02899	8.2
81.03413	5.8
82.23798	1.2
85.02902	100.0
86.03223	2.0
87.04488	1.7
97.02892	34.6
99.04446	8.0
101.02377	5.7
109.02883	9.4
115.03931	4.9
127.03912	73.8
142.73694	1.3
145.04948	71.7
152.55339	1.4
163.05995	24.7
180.08607	3.3
181.07086	1.6
230.55534	1.7
231.25378	1.6
245.56972	1.5
289.09369	2.4
299.41757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
52.46557	0.5
53.03934	1.1
55.01857	0.7
55.05499	1.1
56.97486	0.5
57.03429	0.8
58.06584	1.2
60.04527	0.6
61.02908	1.4
66.75279	0.5
67.05498	2.2
68.05020	1.3
69.03421	3.0
69.07055	1.4
70.06580	1.4
70.65226	1.0
71.04974	1.3
72.08146	1.2
77.14413	0.5
79.05486	1.8
80.05013	1.3
81.03424	3.9
81.07055	1.9
82.06561	1.4
83.04961	1.2
83.08608	0.7
84.04501	1.2
84.08144	1.2
85.02901	9.5
85.06557	0.5
86.06054	0.9
86.09711	3.9
91.05456	1.2
92.04979	0.8
93.07009	1.2
94.06557	1.6
95.04963	1.9
95.08597	1.4
96.04490	2.3
97.02885	3.4
98.98466	0.9
99.04445	0.6
103.05466	23.7
104.05828	0.7
105.06992	0.7
107.04970	0.7
107.08591	0.9
108.08086	1.1
109.02876	1.4
109.10146	0.6
110.06023	3.5
110.36456	0.6
111.04417	0.6
112.07567	0.6
114.05515	1.3
117.03373	0.9
117.07055	0.7
118.06543	0.6
121.06476	0.9
121.10141	0.7
122.06032	1.5
124.07688	0.6
125.06036	0.5
127.03921	2.8
131.04921	72.5
132.05254	2.6
132.06587	0.7
132.08087	0.6
133.06410	0.6
135.04408	3.1
136.07541	1.6
137.05981	1.1
138.05524	0.9
140.07053	3.5
145.02838	1.7
145.04938	3.8
148.07568	0.7
149.06094	0.7
149.09627	0.6
151.03949	0.8
151.07565	0.5
156.06685	0.7
163.03889	19.0
163.06056	1.2
163.07530	25.6
164.04263	0.8
167.60748	0.5
180.08720	0.6
181.04959	7.3
181.08574	0.6
186.07642	1.1
206.15404	0.7
207.37991	0.5
211.13345	0.7
220.16942	0.8
222.14790	1.2
224.16469	0.6
225.59723	0.6
225.81744	0.6
227.17535	1.0
232.17055	0.7
247.13127	0.7
248.16470	4.1
250.17908	1.0
260.16437	1.8
260.36011	0.7
266.17511	3.0
278.17566	4.0
280.19147	0.8
296.18610	1.1
306.16995	2.2
324.17953	5.7
325.18411	0.6
342.19073	5.8
360.20178	100.0
361.20526	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01873	0.5
55.05508	1.5
55.26156	0.3
57.03428	0.6
58.06595	0.8
60.04517	0.9
61.19564	0.3
65.03935	0.4
67.05498	1.9
68.05025	1.4
69.03424	0.9
69.07047	0.9
70.06579	0.6
70.74145	0.5
71.04968	0.3
72.04522	0.6
72.08150	0.3
73.66573	0.3
79.05481	1.9
80.05013	1.8
81.03407	3.1
81.07052	2.4
82.06574	1.3
83.04992	0.8
83.08615	0.8
84.04505	0.9
84.08144	0.4
85.02899	2.4
86.06062	0.9
87.04418	0.3
87.98814	0.3
88.06892	0.3
89.03912	0.4
91.05469	1.5
92.05006	1.0
93.05777	0.4
93.07043	2.1
94.06544	2.0
94.12104	0.3
95.04960	1.9
95.08601	1.2
96.04485	2.7
96.08109	0.4
97.02892	0.8
97.06498	0.6
97.10156	0.8
98.06062	0.4
105.07021	1.2
106.06557	0.8
107.04959	1.0
107.08578	1.1
108.04456	0.4
108.08096	1.1
109.02892	0.3
109.06510	0.5
109.10108	0.5
110.06027	4.2
111.82743	0.3
114.05534	2.0
117.03290	0.3
117.07024	0.3
118.06519	0.4
119.08576	0.8
120.08105	0.7
121.06464	0.6
121.10155	0.7
122.05991	1.7
123.04446	0.4
123.06831	0.3
123.08047	0.4
124.07603	0.4
125.09660	0.4
131.08566	0.6
132.06561	1.3
132.07999	0.4
133.10078	0.7
134.09625	0.3
135.04422	1.6
136.07596	1.4
137.05992	0.5
138.05473	0.8
138.09134	0.8
140.07043	3.0
145.02840	0.9
145.04948	0.6
145.10072	0.4
147.11702	0.4
150.09106	0.3
151.03880	0.7
151.07562	0.3
156.06555	0.3
157.10162	0.3
163.03896	7.7
163.07520	0.4
163.11035	0.3
175.11102	0.3
181.04947	3.6
186.07576	1.1
194.15387	0.5
201.67705	0.3
204.13878	0.5
206.15431	0.5
211.13245	0.4
212.16545	0.4
220.16939	1.2
222.14900	0.9
230.15366	0.4
232.16946	0.6
234.14847	0.5
236.16508	0.3
240.15991	0.6
247.13245	0.5
248.16411	3.7
250.18022	1.0
260.16504	1.2
266.17459	3.0
278.17468	4.7
280.19009	0.7
288.15939	1.0
296.18506	0.7
306.16956	2.0
324.18051	5.3
342.19113	3.9
343.19495	0.4
360.20142	100.0
361.14212	0.5
361.20578	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01874	10.8
55.05507	36.3
57.03429	7.2
59.05004	29.5
66.87532	2.8
67.05502	57.2
68.05004	4.2
69.03414	7.7
69.07063	78.4
69.49547	11.9
69.49952	6.4
71.04993	42.4
79.05495	51.3
81.03421	15.5
81.07049	45.9
83.04973	9.2
83.08613	32.8
85.06543	4.7
91.05473	28.4
93.07033	35.2
95.04939	19.3
95.08627	21.5
96.95195	3.4
97.06530	41.4
97.10173	31.7
105.07001	17.8
106.06569	5.0
107.04967	9.4
107.08607	29.5
109.06519	15.9
109.10149	12.7
111.08068	5.1
115.07571	9.2
117.07033	6.7
118.06568	6.9
119.08589	11.6
121.06529	6.1
121.10134	19.6
125.09636	25.4
129.06975	5.0
131.08557	7.4
133.10165	7.6
135.08069	6.5
137.09579	7.0
141.63313	3.6
145.06567	4.8
145.10181	7.8
146.09691	6.9
147.11761	7.4
149.09680	3.7
153.12698	9.4
155.10638	4.9
157.10199	4.9
159.11792	4.3
160.11227	8.2
163.11279	3.8
164.25311	3.4
173.11769	12.8
177.12753	6.4
189.11250	10.9
193.12238	5.7
223.13390	7.5
227.16473	5.2
237.14943	4.8
241.79988	3.5
244.20648	6.7
272.20093	44.6
273.18509	7.1
275.20068	9.4
290.21136	12.6
325.19519	4.1
328.89276	3.5
360.24731	8.0
360.28949	100.0
361.19888	4.6
361.29358	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07438	2.0
53.03942	3.5
55.01885	5.1
55.05510	17.8
57.03431	16.9
59.05001	61.1
61.73710	2.3
65.04729	2.1
67.05504	59.9
69.03440	3.9
69.07067	7.8
70.57454	2.3
71.04991	24.7
71.46601	2.5
79.05492	27.4
81.03420	28.1
81.07059	24.9
82.76942	2.4
83.04980	21.7
91.05477	15.7
93.07039	40.2
95.04957	10.7
95.08604	100.0
97.06529	7.3
97.10163	5.4
99.79648	2.2
105.07037	11.9
107.04971	6.8
107.08578	12.4
109.06522	4.1
109.10168	9.6
109.54140	2.3
117.07011	3.0
119.08577	5.7
121.10159	16.1
123.08067	32.0
124.72950	2.2
125.09645	4.5
129.07027	3.3
131.08569	8.6
132.08110	2.3
133.06509	3.1
133.10074	3.0
135.11678	2.5
137.05975	2.3
137.09615	3.6
139.11206	8.7
149.09641	7.9
172.79718	3.2
173.11752	8.4
254.78340	2.3
272.20099	12.0
290.21249	6.9
307.18686	2.6
360.28946	65.4
361.29315	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06533	5.2
50.71399	5.7
55.01860	13.3
55.05511	44.6
57.03438	41.5
64.21126	4.8
67.05502	100.0
69.03416	17.4
69.07072	28.8
69.17934	25.9
71.04980	17.5
79.05486	99.8
81.03424	51.7
81.07053	63.5
83.04968	25.1
83.08607	18.4
85.02904	8.4
85.06539	12.2
86.00659	6.5
89.19232	6.2
89.19795	5.2
91.05483	58.1
93.07039	61.1
95.04966	51.1
95.08606	60.4
95.82144	5.5
97.02894	10.1
97.06535	46.5
97.10175	27.7
105.07022	44.8
107.04948	24.5
107.08596	38.5
109.06501	39.5
109.10133	30.2
111.04404	7.2
111.08068	13.5
115.07569	16.3
117.07015	12.8
119.08567	35.7
121.06482	21.1
121.10149	24.2
122.83387	6.3
123.04399	8.0
123.08064	28.2
125.09637	28.0
129.06976	16.5
131.08540	21.7
132.01190	12.8
133.06427	6.2
133.10133	13.3
135.08044	18.9
135.11671	5.9
137.09602	17.3
139.07556	7.4
139.11111	9.7
145.10135	12.1
147.08081	8.3
147.11678	5.3
149.09613	13.8
153.09129	14.8
155.08606	5.8
155.10553	6.1
157.10066	12.3
159.08046	21.0
159.11642	7.5
161.09610	6.6
161.13461	6.0
167.10728	8.1
169.10049	5.9
171.11687	12.0
173.11729	14.7
175.11115	10.0
177.09088	7.1
185.11700	11.5
187.07899	12.7
189.11220	11.5
193.12206	15.5
211.13263	25.2
215.14421	8.1
217.12209	6.4
230.12120	32.8
233.15378	14.9
235.13297	8.9
237.14803	6.6
243.17377	5.9
249.14854	8.8
253.15932	5.5
261.18494	6.5
271.16943	12.1
285.94733	5.2
289.17944	39.8
290.18298	7.4
307.18958	16.6
325.19937	7.8
359.72507	6.4
360.14105	10.1
360.21216	25.5
360.25220	9.8
361.23483	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45787	1.5
52.23989	1.5
53.03947	3.9
55.01869	3.1
55.05510	23.0
57.03430	18.5
59.04997	71.7
65.03938	3.8
67.05500	61.4
69.03426	2.8
69.07060	4.6
70.18431	2.9
71.04991	20.6
79.05488	30.9
81.03416	21.1
81.07047	23.6
83.04967	17.8
83.08628	3.1
85.02894	3.9
85.06536	3.3
91.05485	18.6
93.07037	38.4
95.04960	12.6
95.08600	100.0
95.12590	1.7
96.08923	2.5
97.06521	9.1
97.10161	3.9
105.07030	8.4
107.04935	4.1
107.08592	9.6
109.06479	7.8
109.10133	12.0
111.08075	4.2
117.06974	4.4
118.06517	2.1
119.08569	5.7
121.06474	1.9
121.10130	15.4
123.08064	31.8
125.09619	5.4
131.08548	5.1
132.08083	1.8
133.10162	3.9
139.11169	9.6
149.09572	9.0
155.10606	2.9
160.20322	1.6
167.10672	3.4
173.11748	4.4
192.39180	1.8
202.15909	1.6
237.14879	2.8
249.14671	2.1
272.20041	14.1
290.21146	5.2
297.65067	1.6
360.24719	3.4
360.28922	59.8
361.29340	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91412	1.6
54.25589	1.8
55.01857	3.2
55.05510	11.1
55.70948	1.8
56.05031	4.8
57.03435	2.7
60.04506	1.9
67.05505	12.3
67.97681	1.7
68.05036	2.4
69.03430	5.3
69.07070	9.8
69.16956	12.1
70.06597	4.8
71.04986	2.2
71.08637	2.4
77.54707	1.8
79.05489	11.6
80.05057	1.9
81.03422	40.4
81.07060	16.7
82.06580	2.4
83.04992	10.9
83.08624	14.8
85.02911	4.6
85.06528	2.6
86.09708	100.0
87.10011	2.0
91.05477	14.7
93.07050	10.6
95.01344	14.0
95.04966	14.0
95.08618	8.6
96.05288	1.8
97.02893	3.9
97.06545	4.0
97.10186	3.5
98.06045	2.1
98.23486	3.9
105.07013	13.2
107.04909	3.3
107.08601	5.1
109.06524	4.5
109.10169	3.3
111.04435	2.4
111.08093	5.6
112.11219	3.7
119.04973	2.3
119.08578	9.3
121.06541	3.8
121.10132	4.4
123.04475	4.3
123.08095	3.0
128.07097	2.1
128.10683	2.6
129.06967	4.9
131.04955	2.1
131.08580	5.9
132.10194	90.4
133.06473	3.4
133.10098	9.6
137.06023	3.3
137.45287	1.8
138.06421	2.0
138.12854	2.3
138.75520	1.6
140.10764	2.3
142.07784	2.1
147.11681	9.4
149.09618	7.1
151.11217	3.4
152.14359	2.4
157.10155	7.6
163.05946	1.8
163.11218	2.8
175.11209	10.9
186.11369	2.3
193.12225	36.3
196.00764	1.8
210.14851	3.5
211.13284	95.3
212.13644	5.2
222.11325	2.4
225.51936	1.7
252.19638	25.2
255.33928	1.8
268.22861	3.1
270.20596	24.5
271.13324	2.6
278.21136	4.3
280.19138	3.8
289.14462	4.7
296.22202	13.4
298.20108	15.4
314.23245	7.2
316.21268	8.3
324.21762	4.4
342.22729	28.6
343.23001	2.2
360.14264	6.3
360.21402	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91412	1.6
54.25589	1.8
55.01857	3.2
55.05510	11.1
55.70948	1.8
56.05031	4.8
57.03435	2.7
60.04506	1.9
67.05505	12.3
67.97681	1.7
68.05036	2.4
69.03430	5.3
69.07070	9.8
69.16956	12.1
70.06597	4.8
71.04986	2.2
71.08637	2.4
77.54707	1.8
79.05489	11.6
80.05057	1.9
81.03422	40.4
81.07060	16.7
82.06580	2.4
83.04992	10.9
83.08624	14.8
85.02911	4.6
85.06528	2.6
86.09708	100.0
87.10011	2.0
91.05477	14.7
93.07050	10.6
95.01344	14.0
95.04966	14.0
95.08618	8.6
96.05288	1.8
97.02893	3.9
97.06545	4.0
97.10186	3.5
98.06045	2.1
98.23486	3.9
105.07013	13.2
107.04909	3.3
107.08601	5.1
109.06524	4.5
109.10169	3.3
111.04435	2.4
111.08093	5.6
112.11219	3.7
119.04973	2.3
119.08578	9.3
121.06541	3.8
121.10132	4.4
123.04475	4.3
123.08095	3.0
128.07097	2.1
128.10683	2.6
129.06967	4.9
131.04955	2.1
131.08580	5.9
132.10194	90.4
133.06473	3.4
133.10098	9.6
137.06023	3.3
137.45287	1.8
138.06421	2.0
138.12854	2.3
138.75520	1.6
140.10764	2.3
142.07784	2.1
147.11681	9.4
149.09618	7.1
151.11217	3.4
152.14359	2.4
157.10155	7.6
163.05946	1.8
163.11218	2.8
175.11209	10.9
186.11369	2.3
193.12225	36.3
196.00764	1.8
210.14851	3.5
211.13284	95.3
212.13644	5.2
222.11325	2.4
225.51936	1.7
252.19638	25.2
255.33928	1.8
268.22861	3.1
270.20596	24.5
271.13324	2.6
278.21136	4.3
280.19138	3.8
289.14462	4.7
296.22202	13.4
298.20108	15.4
314.23245	7.2
316.21268	8.3
324.21762	4.4
342.22729	28.6
343.23001	2.2
360.14264	6.3
360.21402	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01856	7.5
55.05302	2.6
55.05513	32.7
57.03440	23.6
67.05508	56.3
69.03426	9.1
69.07053	12.7
71.01348	5.5
71.04974	9.5
73.02940	3.5
79.05495	52.9
80.05026	3.3
81.03422	24.9
81.07056	41.0
82.07395	3.1
83.04967	9.0
83.08609	14.7
85.06529	6.9
89.01067	2.6
91.05476	28.9
93.07036	33.3
95.04992	22.6
95.08604	29.7
97.06538	16.6
97.10171	22.3
103.05450	3.8
105.07056	16.4
107.04948	12.4
107.08584	20.3
108.08840	3.0
109.06538	13.9
109.10184	17.6
111.08064	8.5
113.05985	3.7
115.05415	3.7
115.07560	4.0
117.06991	12.2
119.08591	14.5
121.06507	13.9
121.10146	9.6
122.09678	5.4
123.08036	7.7
125.09639	18.0
129.07025	5.1
131.08549	10.2
133.06514	6.4
133.10086	8.7
134.99554	2.6
135.08104	15.6
135.11697	3.8
137.05952	5.7
137.09631	6.5
139.11093	2.6
143.08601	3.6
145.06424	3.0
145.10100	7.8
147.08014	7.8
147.11656	5.9
149.09625	7.7
151.07553	5.4
153.09058	5.6
157.10112	3.9
159.08049	9.2
159.11676	3.1
163.11179	5.1
167.10770	4.2
173.09535	3.7
173.11845	14.5
173.13136	4.9
181.12196	2.9
183.11732	2.7
185.13258	3.1
188.07071	30.6
189.11229	18.1
202.08565	17.1
203.09291	3.3
216.10095	6.0
223.13155	3.0
230.11757	8.0
231.13753	6.7
233.15349	4.1
237.14751	4.8
249.14894	8.4
249.18733	3.4
261.18451	3.6
271.17010	5.4
275.20071	7.3
289.18011	15.3
307.18985	11.2
308.40900	2.7
325.20346	3.2
342.13971	4.3
342.20596	46.5
343.20908	5.7
360.21613	100.0
361.22424	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.4
67.05510	0.8
69.28825	1.7
75.86242	0.3
79.05487	0.7
81.07056	1.0
91.05463	0.7
93.07069	0.6
94.06560	0.4
95.08605	1.3
103.83348	0.3
104.99268	0.4
105.07046	1.0
107.08584	0.9
109.10131	0.9
119.08574	0.7
121.10207	0.5
122.06033	1.0
126.05444	0.5
131.08525	0.4
133.10155	1.0
140.07089	1.3
182.60103	0.4
213.33871	0.4
278.95697	0.4
302.21188	0.5
303.06482	0.8
342.24286	1.1
347.81656	0.4
360.25110	100.0
361.07083	1.4
361.19772	4.2
361.25287	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.4
67.05510	0.8
69.28825	1.7
75.86242	0.3
79.05487	0.7
81.07056	1.0
91.05463	0.7
93.07069	0.6
94.06560	0.4
95.08605	1.3
103.83348	0.3
104.99268	0.4
105.07046	1.0
107.08584	0.9
109.10131	0.9
119.08574	0.7
121.10207	0.5
122.06033	1.0
126.05444	0.5
131.08525	0.4
133.10155	1.0
140.07089	1.3
182.60103	0.4
213.33871	0.4
278.95697	0.4
302.21188	0.5
303.06482	0.8
342.24286	1.1
347.81656	0.4
360.25110	100.0
361.07083	1.4
361.19772	4.2
361.25287	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2536
Annotation	Deacetylspiramine F
Peak:m/z	Relative Intensity
53.03954	2.6
55.01879	1.9
55.05513	10.8
56.05033	4.4
56.56884	1.6
57.07088	2.9
62.06085	4.1
63.78975	1.5
67.05504	18.6
68.05029	6.0
69.07069	8.7
69.89208	5.3
70.06574	1.8
71.04997	3.7
72.04516	2.3
74.06075	10.2
77.03931	2.5
79.05495	21.8
81.07056	38.4
82.06579	3.5
82.24848	2.0
83.04995	2.5
86.06081	2.0
87.27562	1.8
91.05475	17.4
93.07049	49.0
94.06578	8.3
95.04984	7.1
95.08608	19.3
96.04492	33.1
96.08137	3.5
97.06551	4.8
97.55924	1.5
98.06053	3.0
98.22864	1.9
100.07615	2.4
105.07022	27.9
105.07732	1.9
106.07413	1.8
107.08590	31.1
108.08138	7.8
109.06525	4.1
109.10137	15.7
110.06074	9.7
112.07623	4.0
117.07040	3.5
119.08589	26.1
120.08146	2.2
121.10148	21.0
122.06037	37.4
122.09660	4.0
123.06827	21.2
123.07687	2.1
123.08075	3.3
123.11700	10.2
124.07621	12.0
126.05534	4.2
126.09179	3.6
128.07109	1.9
129.07057	2.1
131.08583	8.7
133.10127	35.2
135.11734	5.8
136.07570	15.6
138.09131	1.9
139.09953	3.6
140.07065	100.0
141.07874	13.8
142.08644	4.9
143.08583	3.3
145.10147	7.9
147.11688	6.0
148.07530	3.4
148.11237	2.7
149.08473	2.4
149.09621	3.4
149.13298	6.8
150.09175	3.9
152.07062	3.1
154.08662	20.0
157.10161	2.8
159.11710	9.8
161.09618	2.5
161.13246	22.6
162.09164	7.4
163.11131	2.3
164.10703	1.6
166.08591	2.2
168.10222	8.5
168.13957	2.3
171.11687	3.5
173.13298	6.0
175.14862	5.3
176.10698	22.1
177.11496	4.7
178.12334	3.2
180.10158	2.7
180.13838	2.3
182.15407	2.5
187.14870	3.0
189.16429	3.2
190.12363	6.4
192.13850	6.2
194.11775	22.7
195.12393	2.1
196.13263	2.8
197.80992	2.0
199.14891	3.9
201.16377	8.5
204.13699	3.7
206.11768	1.8
208.13344	3.9
210.14912	9.5
215.17998	4.4
222.14886	11.1
223.96771	2.1
236.16489	2.2
239.17941	2.1
258.18671	2.0
260.16379	2.3
276.19666	5.1
277.35092	2.1
284.20068	24.6
286.18176	1.9
300.19617	2.7
302.21124	41.7
314.24631	4.1
324.23233	4.9
332.25787	4.8
342.24265	90.9
343.24643	6.0
360.21814	5.1
360.25427	59.8
361.06857	12.7
361.19873	59.7
361.25269	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34829	4.2
55.05508	36.3
57.03425	3.9
59.04975	5.0
61.55045	4.4
67.05502	97.9
69.07055	25.2
69.73199	10.0
69.73532	4.8
71.05010	5.3
79.05480	26.3
81.07058	39.2
83.05002	4.2
83.08603	17.0
90.13596	3.7
91.05471	20.0
93.07049	21.6
95.04953	5.5
95.08595	26.2
97.06525	9.2
97.10173	33.6
98.47640	4.0
105.07023	17.8
105.46711	4.4
107.04942	5.4
107.08585	49.3
109.10152	96.3
110.10490	5.5
111.08101	4.2
117.06968	6.6
119.08580	15.8
121.10170	8.3
125.09645	35.1
131.08574	6.7
133.10115	11.2
135.08052	10.3
135.11717	6.0
145.10127	12.8
147.11655	7.7
149.09621	7.3
153.09029	5.9
155.10669	32.2
159.11697	5.7
163.11310	5.9
173.11736	100.0
173.13167	5.3
177.79112	4.8
187.13298	91.3
187.14865	8.3
195.13925	5.7
203.12776	35.2
227.16396	6.9
257.18903	7.1
272.20029	11.4
275.20090	44.3
289.21631	12.6
293.21118	7.3
300.28799	4.5
300.64124	4.8
307.22595	14.2
360.22031	4.7
360.28934	45.1
361.29865	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
58.64964	0.7
67.05505	6.9
69.07061	3.8
69.73095	2.6
71.04988	8.8
79.05483	6.6
81.07062	6.2
83.08612	1.7
90.30009	0.6
91.05468	4.2
92.33109	0.8
93.07038	6.1
94.05209	0.7
95.04968	1.3
95.08596	3.2
97.06541	1.8
97.10151	1.8
105.07023	3.7
106.06538	0.9
107.08573	4.7
109.10175	3.8
117.05797	1.3
117.07029	1.5
118.06523	5.5
119.08559	1.7
121.10144	4.8
123.11726	1.0
125.09596	1.9
131.07321	2.8
131.08514	0.9
132.08105	3.8
132.81075	0.8
133.10126	1.5
135.11665	1.8
145.10043	0.9
146.09631	3.7
147.11700	1.2
149.09593	1.2
153.12733	1.3
155.10666	1.3
159.11668	1.0
160.11212	2.6
173.11752	3.4
188.14343	1.2
195.13788	1.0
202.16011	0.9
209.15407	1.3
216.17392	1.2
223.13515	0.8
227.16429	4.4
235.16939	3.4
244.20593	3.4
267.19510	1.4
272.20087	31.1
273.20233	1.7
275.20047	5.5
290.21115	13.7
291.21390	1.4
307.22598	1.3
360.28940	100.0
361.29431	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01872	9.1
55.05513	64.1
56.05028	6.6
57.03402	6.5
57.07073	8.9
58.06594	6.3
59.04990	5.1
60.04529	19.5
61.02921	4.7
65.03958	5.1
67.05508	97.5
69.07064	29.0
69.70281	16.0
71.01331	3.9
71.04993	33.0
71.08617	6.1
74.06072	4.5
79.05486	41.4
81.03426	10.1
81.07054	58.9
83.04980	10.1
83.08620	65.3
85.02900	8.7
85.06560	8.5
86.06081	11.9
87.04494	6.5
91.05487	48.6
93.07040	41.3
95.04964	26.4
95.08604	100.0
97.06556	9.6
97.10161	18.7
97.58777	4.3
98.23440	4.3
99.08099	7.7
104.07105	31.9
105.03414	6.7
105.07020	27.8
107.04946	9.4
107.08601	35.8
109.06530	11.9
109.10159	59.5
111.04453	7.3
111.08100	8.2
113.09643	9.1
115.11221	23.3
117.07027	9.7
119.08580	30.1
121.10143	31.3
123.08074	9.2
125.09640	23.8
131.08565	12.1
133.10127	53.4
135.08104	6.7
135.11691	12.6
137.09612	21.2
139.11191	17.4
141.09109	9.1
143.08524	5.5
145.10106	10.2
145.12224	17.6
147.11757	9.7
149.09634	12.3
151.11208	17.1
155.10670	9.4
161.09639	14.7
163.11221	12.8
165.12735	5.6
167.10652	7.9
168.27982	4.3
169.12234	6.2
173.11743	55.6
175.11171	5.5
177.12708	9.9
179.10703	22.1
181.12282	8.6
187.13333	20.0
193.12245	19.9
199.13322	8.2
209.11723	7.5
211.13351	12.3
217.82121	4.5
225.14899	17.5
247.20761	6.6
275.20071	22.9
278.95557	4.6
290.07880	5.4
293.21094	57.0
294.21414	7.8
300.26385	4.0
307.22794	7.4
360.14038	6.4
360.21964	5.0
360.30887	10.4
360.34186	6.2
360.37448	16.3
361.19641	18.2
361.23666	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83666	0.5
51.99469	0.4
53.03934	0.6
55.05302	0.4
55.05518	5.9
57.03422	0.8
59.04992	1.2
60.15767	0.5
67.05510	8.0
69.03416	0.9
69.06758	0.6
69.07076	6.3
71.04994	7.4
71.60899	0.5
78.30249	0.4
79.05046	0.5
79.05492	7.5
81.03408	0.9
81.07060	5.5
83.04973	1.2
83.08186	0.5
83.08604	3.0
89.89392	0.5
91.05493	3.9
91.90013	0.5
93.07053	6.4
95.04976	1.3
95.08625	3.6
97.06528	3.0
97.10170	3.6
98.23229	3.4
100.87920	0.4
101.02805	0.6
105.07026	2.5
106.06549	3.6
107.04953	0.7
107.08578	5.1
109.06529	1.2
109.10136	4.8
111.08041	0.7
115.07584	0.8
117.05789	0.8
117.07023	0.9
118.06552	3.8
119.08585	2.0
121.10149	6.1
123.11712	0.6
125.09650	3.8
125.56141	0.5
129.06964	0.8
131.07312	2.4
131.08513	0.8
132.08076	1.9
133.10132	1.4
134.09642	1.1
135.08012	0.7
135.11710	0.6
137.09595	1.0
145.08937	0.5
145.10056	1.0
146.09656	3.8
147.11699	1.1
148.11220	0.5
149.09663	0.8
153.09106	0.6
153.12776	4.1
155.10637	2.1
159.11693	0.6
160.11224	3.9
161.13220	0.5
171.10144	0.6
172.11360	0.5
173.11731	7.8
174.12715	0.5
177.12695	0.5
188.14398	1.2
189.11217	2.1
202.15881	1.7
210.56783	0.5
216.17470	3.7
223.13303	0.6
244.20558	5.0
272.20090	26.5
273.20496	1.5
275.20084	5.5
290.21216	4.7
293.21082	0.6
360.28958	100.0
361.07150	0.9
361.29297	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46986	5.4
55.01863	10.9
55.05512	53.2
57.03453	5.4
57.07081	6.2
67.05506	100.0
69.03416	6.1
69.07065	19.9
69.48593	24.5
70.06599	21.2
71.04992	31.6
71.08638	7.7
72.08166	26.0
75.81843	6.4
79.00665	9.9
79.05505	33.7
81.03419	6.7
81.07059	45.7
82.15425	6.2
83.04978	10.0
83.08612	56.0
85.02901	8.0
85.06537	8.5
87.04411	6.7
91.05479	41.0
93.07050	51.8
95.04984	30.4
95.08604	93.3
97.06538	11.0
97.10167	10.9
98.06065	8.5
99.08102	6.2
105.03389	6.0
105.07026	36.4
107.08593	24.5
109.06496	8.8
109.10142	57.3
111.08100	8.1
113.09673	10.5
115.11214	32.4
117.07030	9.2
119.08589	28.5
120.51061	7.0
121.06538	7.4
121.10152	16.3
125.09648	17.3
129.06920	7.1
131.08585	10.2
133.10141	69.0
135.08052	7.6
135.11717	15.1
137.09633	33.0
139.11252	11.3
145.10150	6.5
145.12213	41.1
147.11678	9.0
147.47299	5.9
149.09645	5.6
149.41139	5.2
151.11188	23.5
155.10660	9.9
161.09651	11.1
163.11166	13.7
165.12805	15.9
173.11696	35.7
173.13054	5.7
175.11211	7.0
177.12709	8.2
179.10707	25.1
181.12306	11.7
187.13287	15.6
193.12253	24.4
195.13834	6.2
211.13307	10.2
225.14897	21.4
227.12555	5.9
262.21738	10.0
275.19992	42.3
289.21643	5.6
293.21033	79.1
298.31036	11.5
301.18604	10.8
319.15997	6.2
319.19598	32.4
325.23853	13.4
337.16806	7.8
337.20462	33.8
360.14120	7.8
360.21906	12.0
360.25607	9.0
360.29288	9.2
360.34802	26.8
361.19748	60.9
361.23578	68.1
372.04459	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2896
Annotation	Methyl homosecodaphniphyllate
Peak:m/z	Relative Intensity
53.03941	0.3
53.29687	0.2
55.01856	0.5
55.05283	0.3
55.05511	2.7
57.03428	0.5
57.07074	0.4
59.05006	2.3
65.03939	0.3
67.05502	3.6
69.03423	0.4
69.07071	3.5
69.71213	0.9
71.04995	2.6
73.02928	0.4
79.05492	2.5
81.03416	1.0
81.07056	2.5
83.04992	0.5
83.08616	1.6
85.06521	0.3
88.03987	0.2
88.07596	0.3
91.05482	1.9
93.07060	2.0
94.25304	0.2
95.04953	1.1
95.08602	1.2
97.06521	2.0
97.10167	2.1
98.22725	0.3
105.07046	1.1
106.06613	0.3
107.04945	0.6
107.08580	1.5
109.06527	0.8
109.10145	1.4
115.07603	1.4
117.05774	0.5
117.07026	0.4
118.06538	5.8
119.08585	1.0
120.08145	0.3
121.10118	1.1
125.09651	1.8
125.56003	0.2
127.97576	0.2
129.06958	0.3
130.06538	0.5
131.07310	1.3
131.08568	0.7
132.08099	3.5
133.08839	0.8
133.10133	0.6
134.09601	0.4
135.08058	0.9
143.08554	0.5
144.08057	0.5
145.08897	0.4
145.10042	0.4
146.09650	2.8
147.10425	0.3
147.11678	0.3
153.12726	0.6
155.10664	0.4
157.10049	0.3
158.09645	0.3
159.11679	0.4
160.11224	1.3
163.11288	0.3
171.11859	0.2
173.11740	1.3
174.12863	0.4
176.10748	0.5
176.14339	0.3
188.14365	1.2
189.11212	1.1
202.15868	2.4
203.16521	0.3
216.17551	1.1
223.13380	0.4
244.20613	1.7
272.20078	22.0
273.20651	1.6
275.20084	0.6
290.21124	9.1
291.21448	0.6
297.98840	0.2
302.66544	0.3
325.20056	0.3
360.28949	100.0
361.29297	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14384	0.4
51.49599	0.3
52.83678	0.3
53.03511	0.3
53.13252	0.3
53.46730	0.3
55.01865	0.5
55.05501	2.3
57.03438	0.6
59.04990	0.8
62.74549	0.4
66.94062	0.4
67.05502	3.9
69.07066	2.4
71.04999	2.6
71.08637	0.4
71.22445	0.4
79.05497	2.8
81.03427	0.3
81.07043	2.2
83.08599	1.2
91.05482	1.9
93.07032	3.0
95.04978	0.5
95.08592	1.7
97.06520	1.2
97.10166	1.1
103.05418	0.3
105.07050	0.9
106.06546	2.8
107.05000	0.5
107.08579	1.5
109.06473	0.3
109.10165	2.3
109.10775	0.3
111.08091	0.4
117.05782	0.3
118.06536	3.2
119.08609	0.5
121.10120	2.1
123.11839	0.4
125.09615	1.0
129.06918	0.3
131.07289	2.4
132.08055	1.2
133.10139	0.5
134.09639	0.8
135.08015	0.5
146.09653	3.2
147.11690	0.6
153.12740	1.2
155.10674	1.0
160.11188	3.8
161.11899	0.5
172.11336	0.4
173.11754	3.2
174.12773	0.4
187.13438	0.5
188.14220	1.9
189.11227	0.7
202.15863	2.0
216.17494	3.1
230.19078	0.4
244.20593	3.7
245.21140	0.3
272.20071	22.8
273.20401	1.6
274.80322	0.4
275.20114	1.2
290.21112	4.8
325.20273	0.4
360.28934	100.0
361.06848	1.2
361.24628	0.7
361.29291	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41662	1.0
55.05503	2.3
56.96563	29.0
57.03413	1.1
60.04501	0.9
65.56982	0.9
67.05502	3.2
68.05014	1.4
69.03431	1.9
69.07059	2.8
70.06583	3.0
72.08129	2.6
79.05499	2.6
80.05010	1.1
81.03423	2.4
81.07041	3.3
83.04976	2.2
84.08144	1.5
84.96030	10.9
85.02891	2.0
86.09709	6.4
88.81001	1.4
91.05484	4.2
93.07026	2.6
95.08623	1.1
97.06532	1.2
97.07629	1.3
98.06031	3.4
98.97580	98.7
99.06437	1.3
103.05448	1.6
105.07024	1.6
107.04943	2.8
107.08559	1.9
110.08418	2.5
110.97559	27.3
111.05552	1.3
112.99139	4.2
114.10289	12.9
116.07101	2.9
116.98619	33.5
119.04951	1.5
121.10159	2.8
123.09202	1.3
124.99154	2.4
126.97059	2.7
128.98601	28.5
131.00157	3.9
131.04936	4.0
132.10225	2.2
134.08131	2.4
134.99631	8.1
139.15909	1.0
140.00198	2.3
140.98578	6.3
143.00151	12.2
144.98100	7.6
145.02789	1.8
145.10056	1.4
146.10481	1.3
146.99635	11.3
147.04422	1.9
149.01164	1.4
152.98605	6.5
157.05367	2.1
158.99632	20.9
159.04385	1.4
161.01210	9.4
162.99168	7.1
163.11189	1.5
170.99658	11.8
171.04312	1.1
173.01187	1.4
175.06413	3.0
177.00703	17.1
187.03975	5.3
189.00740	4.9
189.09132	1.2
193.12209	1.2
194.27478	1.1
195.01723	1.6
199.06404	7.7
201.00706	4.5
211.13326	4.0
215.03357	2.5
217.07487	4.2
219.01755	39.7
233.04445	2.7
237.02802	58.8
238.03218	1.5
241.07385	2.7
243.02759	6.5
252.19589	3.7
253.07693	2.6
255.03911	2.4
260.04492	1.6
261.03894	6.4
270.20670	4.4
271.21063	2.3
301.09567	76.8
302.09857	3.5
305.07898	2.0
316.21045	2.6
319.10626	100.0
320.10873	4.4
333.07501	5.5
342.12366	5.5
342.19061	8.5
343.13342	2.6
343.19421	15.8
361.07001	34.7
361.11673	47.0
362.07513	2.6
362.11725	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.3
56.96568	49.0
66.57964	4.8
67.05497	5.3
69.07059	8.3
69.66962	5.7
69.75230	4.6
69.83934	10.6
79.05469	8.0
81.03404	5.2
81.07067	8.8
83.45072	4.6
94.07365	5.0
97.06535	9.8
98.22822	7.0
105.07017	9.9
109.10183	7.6
119.08514	7.2
121.10121	6.7
127.58332	4.5
131.08560	5.8
151.27101	4.6
155.03738	7.6
185.04892	13.5
194.12581	7.3
203.05908	24.0
233.08556	6.3
235.10027	5.8
235.42154	4.8
253.11122	50.8
271.12198	22.0
278.95526	6.0
279.09064	21.5
290.18390	5.5
297.10104	88.0
298.10471	6.3
301.07239	10.2
308.19360	5.5
315.11136	100.0
319.08347	70.6
320.11462	10.8
337.09387	6.0
342.09833	8.8
343.15323	5.6
361.16098	20.5
361.19888	16.4
361.23419	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
56.96567	0.7
58.06602	0.6
58.55057	0.5
67.05491	2.5
68.05008	0.5
69.03413	1.4
69.07062	1.2
69.57667	2.1
70.02949	1.5
70.06579	2.2
70.06931	0.5
71.05005	0.7
74.02438	16.9
79.05479	1.7
81.03412	8.2
81.07053	3.0
83.04984	2.9
83.08606	2.0
87.05589	26.3
88.03979	5.8
91.05474	2.8
93.07045	2.4
95.04970	3.0
95.08619	0.8
97.02882	0.6
97.06535	0.9
98.02402	0.6
98.22757	1.1
98.97558	1.0
100.76208	0.5
105.07008	2.9
107.04955	0.7
107.08545	1.5
111.08083	1.4
116.03449	6.7
116.07121	1.0
119.08576	1.6
120.08099	0.6
121.10154	1.5
123.04432	0.9
124.04738	0.6
125.09621	0.6
129.06996	1.1
131.08585	0.6
133.06082	100.0
134.04489	1.9
134.06450	1.2
137.05963	0.7
139.11183	0.7
147.11707	1.9
149.09604	1.0
157.10158	1.4
165.09201	0.6
173.76593	0.6
175.11134	1.0
176.09236	2.4
181.12274	0.8
193.12222	6.3
194.11684	2.7
199.13252	1.0
210.14888	0.7
211.13289	13.2
212.12859	0.8
254.13818	4.7
293.09027	1.3
300.14392	0.6
317.17059	2.3
344.20685	1.5
347.52237	0.5
361.20245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1986
Annotation	Arg Trp
Peak:m/z	Relative Intensity
51.88825	0.3
57.07066	0.9
57.40238	0.3
64.03056	0.3
64.60423	0.3
65.85536	0.3
67.05505	0.7
68.35130	0.3
69.07072	0.4
69.49837	0.3
70.06581	1.4
71.46590	0.4
72.08173	0.5
74.06047	0.4
79.05489	0.6
81.07045	0.9
82.06580	0.3
86.09701	0.3
88.07627	0.7
91.05492	0.6
93.07043	1.0
95.07269	0.3
95.08605	0.6
96.04504	0.3
102.09152	0.4
105.07011	0.8
107.08582	0.5
109.06466	0.6
120.08894	0.3
122.06027	0.7
122.10470	0.3
132.10210	0.9
133.10117	0.5
140.07068	1.0
146.11717	0.4
161.45091	0.3
162.13564	0.4
176.15221	0.4
240.11531	0.3
256.26395	1.4
273.20496	0.4
277.20111	0.3
300.28918	3.1
303.21375	0.9
329.17224	0.8
343.24490	1.2
361.19818	100.0
362.08188	0.4
362.16840	0.2
362.20166	7.6
362.32675	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
66.55648	0.7
69.07086	1.1
69.72811	1.9
69.79046	0.8
80.66758	0.8
81.07088	1.2
88.07628	2.8
95.08606	0.9
104.99287	1.1
119.08597	1.0
132.10243	0.8
144.16725	0.8
232.44933	0.8
237.10974	14.0
270.27957	2.0
275.16174	16.8
275.19034	1.4
276.16721	1.4
278.95593	1.2
361.19812	100.0
361.23691	32.3
362.20041	10.0
362.23956	2.2
362.32584	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1999
Annotation	Sarcrassin E
Peak:m/z	Relative Intensity
55.01857	6.5
55.05503	7.3
56.87718	1.8
57.07080	3.2
67.05502	6.7
69.03426	2.1
69.07059	5.3
70.06573	4.4
71.04956	1.8
72.08150	8.8
73.08491	1.9
77.03943	2.9
78.02158	1.7
79.05481	9.5
81.07044	13.8
83.08622	2.4
85.06521	9.4
91.05475	24.5
93.07047	51.9
95.04955	6.9
95.08607	12.3
98.06069	2.8
104.99264	2.2
105.04530	2.8
105.07018	9.6
107.08591	9.1
109.06531	6.0
109.10152	2.9
111.08069	6.7
117.06969	4.4
119.08582	5.3
121.06487	2.5
121.10146	5.4
123.08060	5.6
128.06177	3.0
129.06975	2.8
131.08551	6.9
133.10133	6.3
135.08073	2.5
136.05186	4.2
137.05940	4.4
137.09721	2.2
143.08582	4.2
147.11740	4.5
151.07532	7.7
154.06245	12.2
159.11681	7.7
165.12723	4.5
167.07011	3.0
169.08614	6.9
171.07994	2.5
173.05984	3.1
174.06725	3.1
175.07550	3.3
175.11176	2.2
177.05562	4.2
177.12784	2.7
181.08681	9.0
182.05753	7.2
185.09445	2.2
187.07529	2.4
188.08177	2.3
189.05379	3.2
189.09023	3.3
190.33151	2.1
191.07025	5.0
195.10077	9.2
197.08081	99.9
198.08371	3.0
199.07637	3.8
203.10617	2.2
205.08611	4.2
211.09496	2.9
217.08534	3.0
219.10141	5.9
231.10117	7.2
233.08130	2.3
235.09642	6.8
237.11261	7.3
241.12260	2.2
245.11810	4.0
263.12775	9.8
263.21976	2.2
278.95447	4.3
279.13861	3.0
293.15359	2.7
311.16449	5.6
318.32358	1.8
329.17444	3.8
343.18951	6.0
343.22610	3.7
361.10541	3.6
361.19803	100.0
361.23633	17.2
361.28882	4.1
362.20282	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
56.20002	0.4
65.74397	0.4
67.05485	0.6
69.78106	1.0
71.04983	0.5
76.67323	0.4
81.07041	0.7
93.07044	0.5
95.08560	0.6
123.39137	0.4
131.77684	0.4
170.62296	0.5
226.65536	0.4
263.16266	0.8
361.20181	5.3
361.23517	100.0
362.23276	6.5
362.27008	1.9
362.32834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2735
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
52.03080	1.7
52.85970	1.5
53.03942	7.1
55.01868	23.2
55.05507	20.1
57.03425	5.5
57.07070	5.1
65.03941	3.2
67.05499	56.2
68.99779	4.1
69.03419	6.6
69.07069	22.9
69.42484	9.4
71.04976	4.5
79.05488	45.2
81.03413	14.2
81.06569	4.8
81.07050	100.0
83.04976	17.9
83.08607	6.1
83.60765	2.0
85.06551	2.5
87.89524	1.8
91.05475	40.5
93.07031	40.3
95.04960	30.7
95.08597	59.4
97.06536	7.4
97.10168	5.1
99.08068	1.9
101.05991	1.7
104.99280	9.4
105.04556	2.8
105.07018	38.7
107.04942	39.4
107.08592	27.6
109.06526	14.5
109.10123	13.1
111.08045	2.2
117.07003	30.0
119.08570	33.1
121.06522	9.7
121.10116	14.5
122.29383	2.1
123.04430	5.6
123.08031	10.9
123.11697	23.0
128.06239	3.9
129.01826	24.7
129.06978	9.5
131.08556	37.9
133.06465	4.9
133.10132	17.9
135.08044	7.2
135.11674	13.8
137.09633	8.2
137.13232	9.6
141.06982	2.9
143.08568	6.6
145.06482	9.0
145.10114	35.6
147.08055	6.1
147.11662	14.8
149.09607	4.5
149.13251	7.3
151.11063	2.1
155.08502	4.9
157.10123	7.6
159.11714	23.7
161.13234	6.9
163.11182	6.7
165.12720	12.1
169.10101	6.2
171.11690	10.3
173.09804	2.5
173.13228	18.8
175.14839	3.0
177.12691	5.5
179.14290	3.0
185.08110	11.6
185.13280	3.8
187.11182	2.7
187.14825	18.9
189.12756	6.0
191.14267	3.4
197.13283	4.1
199.14767	2.7
201.16301	4.5
205.15913	7.5
215.14244	8.9
221.15302	4.5
233.15359	40.3
234.15681	2.3
241.14378	2.5
249.18558	2.2
251.16457	2.6
315.26724	2.8
325.25229	7.6
343.26309	57.2
344.26645	6.8
361.23312	2.2
361.27359	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
54.99171	0.9
55.01869	6.4
55.05510	13.9
57.03439	2.6
57.07068	1.7
65.03940	1.8
67.05504	31.6
68.99772	1.4
69.03423	2.0
69.07063	11.4
71.04993	2.4
74.12399	0.9
77.03950	1.1
79.05491	37.1
81.03407	4.4
81.07053	100.0
82.07395	3.5
83.04975	4.3
83.08623	2.9
91.05479	15.8
93.07039	20.5
95.04965	28.3
95.05526	2.1
95.08601	19.2
97.06503	1.2
97.10204	1.8
104.99255	2.0
105.04453	1.2
105.07024	8.0
107.04970	2.9
107.08582	10.0
109.06516	53.3
109.10153	21.2
110.06889	1.3
111.08063	2.0
113.00010	1.5
113.65028	1.0
117.07015	4.8
119.08570	12.1
121.06552	1.5
121.10140	6.2
123.08080	3.1
123.11702	3.0
127.80486	0.9
129.01842	18.3
129.07034	2.5
131.08563	6.3
133.10123	7.4
135.08115	1.4
135.11700	4.2
137.09607	44.5
137.13301	1.1
138.09973	2.2
139.00259	1.3
145.10109	8.9
147.11719	3.8
149.09654	3.7
149.13272	2.3
151.11223	1.1
153.12831	1.4
157.10162	3.7
159.11739	8.1
161.09572	1.6
161.13268	1.5
163.11186	2.2
169.02667	1.6
171.11690	2.6
173.13269	5.8
175.14789	1.5
185.08087	9.2
185.13179	1.1
187.14862	1.9
189.16327	2.0
201.16441	2.8
215.17928	1.4
217.15756	1.5
218.16170	1.1
219.17328	1.2
233.18980	1.4
243.17462	1.1
261.18491	1.8
273.18726	2.0
275.19949	1.7
306.85327	1.0
315.26889	3.0
325.25128	1.7
343.26239	18.9
344.26654	2.3
358.24979	1.4
361.10449	1.4
361.27332	24.8
362.27548	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.01860	19.7
55.05513	68.4
57.07070	9.9
61.83482	6.0
67.05508	67.4
69.03410	6.6
69.07079	49.0
69.26697	25.8
71.04974	8.0
71.54683	5.1
75.09441	5.2
76.03110	5.4
79.05496	100.0
81.03413	8.8
81.07056	63.1
83.04990	10.8
83.08644	28.3
84.15257	5.0
91.05478	54.1
93.07050	47.6
95.04966	19.4
95.08620	39.7
95.91833	5.1
96.28418	6.0
97.06584	9.8
97.10184	37.4
98.22695	12.8
103.80942	5.5
105.07025	60.6
107.04964	55.3
107.08599	61.5
109.06558	7.9
109.10143	30.8
111.08122	7.6
117.06995	28.6
119.04948	10.2
119.08595	48.3
121.06516	15.4
121.10136	20.2
122.98428	4.8
123.08013	6.7
123.11680	6.7
125.09620	40.7
129.01886	27.6
129.06966	13.1
131.08563	44.8
133.06493	19.9
133.10133	21.1
134.63834	5.6
135.08044	19.2
135.11708	25.6
137.13271	8.2
140.01698	5.5
145.10083	34.1
147.08063	8.7
147.11659	19.0
149.09602	5.2
149.13274	21.7
153.12714	10.9
157.10127	11.6
159.11703	17.7
159.53760	5.2
161.13293	11.7
163.14853	5.1
171.11749	8.9
173.13191	25.0
175.14824	81.4
177.00798	5.6
177.12682	6.4
185.08173	11.9
187.14821	20.4
189.11224	27.4
189.16362	9.1
193.12244	6.3
197.13213	7.0
199.14859	5.7
201.16370	8.3
213.16273	6.6
215.14389	7.4
217.15860	12.8
221.15431	6.8
233.15404	39.4
273.18542	11.8
287.20093	7.5
292.20599	5.7
325.25165	7.6
343.26257	64.4
344.26627	7.3
346.08221	5.9
361.10541	11.9
361.27393	11.3
362.30392	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71860	6.7
52.64972	6.3
53.03942	7.0
55.01875	15.3
55.05515	28.3
57.03438	36.9
67.05510	66.0
68.65659	8.1
69.03417	18.7
69.07069	100.0
69.36944	39.5
71.04984	29.6
75.39021	6.6
79.05491	57.3
80.66252	7.4
81.03423	31.4
81.07051	68.4
83.04983	23.7
83.08618	25.7
85.02879	8.2
85.06543	14.2
91.05477	53.8
93.07048	64.9
95.04971	26.7
95.08579	38.9
97.06519	65.5
97.10172	17.7
99.08090	21.4
105.07042	33.7
107.04947	12.3
107.08601	30.0
109.06526	29.3
109.10153	30.7
111.08080	16.9
113.43344	7.8
115.07567	21.6
119.08555	20.3
121.06490	18.3
121.10150	39.3
123.08068	14.7
125.09652	23.6
126.81604	7.3
127.07565	9.7
130.06506	14.2
131.08580	26.7
133.10136	16.5
135.08057	21.0
135.11693	10.3
137.05948	8.8
137.09612	31.3
143.08531	9.9
145.10101	18.4
147.08069	14.8
149.13297	11.3
159.11694	18.9
161.09549	8.6
162.12787	7.5
163.07539	8.6
163.11195	15.7
171.11699	9.9
173.11723	13.3
183.11691	8.4
187.14819	9.4
189.11172	17.9
195.13834	33.6
205.12218	10.0
213.14822	18.5
223.13271	32.1
233.15430	17.9
248.16592	11.9
251.16226	19.1
273.18466	46.0
291.19534	79.5
309.20593	19.9
320.06964	7.5
362.15417	16.5
362.19409	37.2
362.23047	8.8
362.26971	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2664
Annotation	U-75302
Peak:m/z	Relative Intensity
54.82583	0.4
57.07069	0.6
58.26111	0.4
67.05510	0.4
69.07075	0.7
70.06577	1.2
72.23655	0.4
81.07031	1.1
82.38383	0.5
86.22755	0.5
88.07632	1.1
93.07063	0.6
95.08604	0.6
99.04335	0.6
105.07007	0.7
107.08574	0.8
109.10126	0.9
119.08591	0.8
204.04793	1.9
205.06461	0.7
246.06723	0.7
256.26343	0.8
261.05490	0.7
262.06229	1.1
274.06207	2.6
275.06827	0.8
277.08627	0.6
282.08719	0.6
291.06616	0.7
300.28946	2.0
302.12189	0.6
303.06378	3.0
304.07162	2.5
306.05225	0.7
306.08575	0.5
319.06042	2.4
334.08411	0.5
344.99692	0.5
347.08923	1.0
362.07724	1.3
362.26630	100.0
362.32205	4.7
363.08606	9.3
363.21411	9.5
363.26883	8.0
378.31961	0.5
380.08829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05034	5.1
57.06867	0.4
57.07080	4.9
58.06604	6.6
60.04523	2.1
68.05024	0.6
69.07076	0.5
69.60284	1.4
70.06597	1.3
71.08630	2.2
72.08167	3.6
74.06081	5.2
76.53429	0.4
79.05501	0.4
81.07053	0.5
85.10174	1.1
86.06078	4.7
88.07632	35.0
89.06020	0.7
89.07961	0.5
95.08630	0.7
100.07637	1.0
102.09182	0.8
104.07121	4.1
109.10143	0.4
118.08683	0.9
118.97533	0.5
124.31181	0.3
132.10210	8.5
162.11238	1.9
165.18494	0.3
166.10786	2.4
231.84471	0.4
233.06094	0.5
238.25290	0.8
244.46432	0.4
256.26401	1.1
270.27921	28.1
271.28189	1.4
271.78967	0.4
274.06238	0.8
275.06891	0.4
282.27945	0.8
300.20453	0.7
300.28897	1.1
303.06497	1.6
304.07132	0.8
306.09061	0.3
309.44791	0.4
314.30496	9.4
315.30759	0.8
319.06015	0.9
344.31491	1.4
362.08008	0.9
362.26791	11.2
362.32635	100.0
363.08594	5.4
363.21448	6.8
363.26245	0.5
363.32996	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90851	0.1
55.05522	0.2
60.35939	0.2
62.51905	0.2
69.35650	0.5
69.36050	0.3
78.97891	0.2
79.05511	0.3
81.07068	0.4
91.05484	0.3
93.07054	0.3
97.10213	0.1
100.43781	0.2
108.24767	0.2
113.00023	0.7
119.08604	0.2
123.12050	0.2
165.07021	0.2
169.02625	0.8
176.06255	0.6
177.06834	0.2
178.07823	0.2
187.05531	0.5
189.06958	3.1
190.07693	0.5
190.96017	0.2
191.08582	0.5
202.07787	0.7
203.08539	1.6
204.05728	0.8
205.06514	0.5
206.07245	0.5
217.06471	2.6
218.07220	0.7
219.08000	1.2
221.05960	0.3
231.07968	1.6
232.05211	0.9
233.05951	1.7
233.09683	0.3
234.06665	0.9
235.07480	0.2
245.05962	3.5
246.06720	4.7
247.07512	6.5
248.07950	0.7
249.05481	0.5
249.09155	0.4
259.07520	0.6
260.04773	0.3
260.08398	0.3
260.52277	0.2
261.05453	11.8
261.08926	0.9
262.06198	5.2
263.06754	0.9
264.07681	0.2
273.05496	2.3
274.06226	2.3
274.20700	0.2
275.06995	12.8
276.07257	0.9
277.05087	0.3
277.08609	0.8
288.03964	0.4
289.04944	6.3
289.08557	3.5
289.17902	0.5
290.05698	19.6
291.06213	1.6
301.04984	1.8
302.05661	0.6
303.06485	42.5
304.06998	4.7
305.04651	0.2
305.08017	3.2
306.08585	0.3
317.04645	0.5
318.05200	17.4
319.02032	0.3
319.05890	5.2
319.09338	0.2
320.06525	0.6
321.07172	0.2
331.05972	10.5
332.06320	0.9
333.07541	9.9
333.11652	0.3
334.07932	0.9
335.09235	0.2
347.05515	1.3
348.06250	15.6
349.06631	1.3
362.29797	0.9
363.08542	100.0
364.08896	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0862
Annotation	Resomycin C
Peak:m/z	Relative Intensity
67.13029	0.4
69.82865	0.9
81.07021	0.3
89.58031	0.3
92.15015	0.3
94.31731	0.4
111.16544	0.4
146.32709	0.3
169.02670	0.4
176.06203	0.7
178.07744	0.6
187.05432	0.4
189.06952	3.7
190.07622	0.4
191.08679	0.4
202.07776	0.6
203.08591	2.0
204.05721	0.8
205.06305	0.4
206.07271	1.0
217.06442	3.3
218.07234	0.4
219.08012	1.8
221.05893	0.4
231.08086	1.9
232.05142	0.8
233.05969	1.5
234.06693	0.9
235.07681	0.4
245.05983	4.0
246.06731	5.3
247.07523	6.6
248.07938	0.8
251.94427	0.4
261.05447	12.1
261.09027	1.4
262.06186	5.5
263.06848	0.8
273.05389	3.2
274.06195	2.3
275.07001	16.7
276.07486	1.1
277.08560	1.3
284.02396	0.4
288.04218	0.7
289.04922	7.4
289.08566	4.0
290.05698	22.5
291.06143	2.0
301.04974	2.4
302.05585	0.5
303.06488	46.2
304.06958	5.8
305.07990	3.5
317.04385	0.7
318.05191	22.5
319.05878	7.2
319.09341	0.3
320.06516	0.4
331.05988	12.2
332.06372	1.1
333.07532	12.0
334.07932	1.0
347.05453	1.4
348.06238	19.5
349.06659	1.3
363.08585	100.0
364.08936	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32026	1.6
50.40902	2.2
51.52788	1.7
52.47881	1.7
55.05511	1.9
59.60279	1.7
65.03938	1.7
66.16294	1.7
67.05499	3.7
68.05025	3.2
69.03411	4.0
69.07066	2.0
69.77744	3.7
69.78127	3.4
70.06567	5.7
71.04959	1.8
72.08167	2.3
79.05475	3.4
81.03416	7.9
81.07038	3.4
83.04990	3.9
83.08618	1.9
84.08130	3.1
85.02873	4.7
91.05468	2.0
93.07026	1.8
95.08588	3.3
97.02915	2.7
97.06513	2.9
98.06052	5.0
98.97573	11.4
98.98445	4.9
109.10179	1.8
116.07091	3.6
116.98607	6.0
119.08511	2.1
120.08107	3.1
123.04379	2.4
127.03188	2.5
129.39954	1.7
131.08479	1.8
137.05942	4.3
151.85004	1.7
165.09013	2.4
165.12746	3.3
166.05862	2.5
167.07153	3.0
172.09695	3.3
177.00783	3.1
183.09120	2.3
186.10652	2.3
206.08002	2.2
226.14384	2.8
237.02780	3.7
243.05453	3.5
264.15842	4.4
282.16928	5.1
283.17300	2.6
284.12750	6.6
288.17905	2.0
300.18091	4.7
301.18497	2.5
318.19070	20.1
319.19385	11.9
326.19580	2.3
341.17526	6.9
344.20755	7.9
345.20868	7.0
362.21454	20.5
363.10486	100.0
363.15964	14.7
363.22064	15.2
364.10828	3.3
381.10480	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49399	2.4
56.54174	2.7
69.03426	2.4
71.07956	3.7
72.08135	2.5
82.91322	2.5
84.08151	4.1
85.02905	6.4
86.09671	3.7
86.93709	2.8
98.98471	7.4
104.99355	3.2
109.72224	3.2
115.54024	2.6
123.04419	5.2
140.06856	3.2
142.96266	2.9
153.47778	2.6
161.35783	2.7
167.07036	100.0
170.45947	2.3
216.11375	5.0
322.10025	2.8
328.36774	2.8
363.10345	54.1
363.13843	4.5
364.10431	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48676	0.7
52.11876	0.6
55.01857	1.0
55.05509	1.1
57.03427	2.7
57.86560	0.7
65.48994	0.8
67.05483	2.3
69.03413	2.1
69.07063	0.8
79.05492	2.5
81.03413	4.2
81.07050	3.0
83.08640	1.0
85.02896	2.6
91.05473	1.7
91.80138	0.8
93.07040	2.2
94.04142	0.8
95.04945	2.5
95.08584	1.3
97.06520	1.2
98.98466	0.9
102.30335	0.8
103.03921	1.0
103.05437	1.6
105.07024	3.1
107.08585	1.5
109.02865	1.1
109.06488	0.7
109.10149	1.2
119.08568	2.0
121.06516	1.3
121.10148	1.4
122.03667	1.6
129.06993	1.0
129.67224	0.7
131.04945	1.7
131.08556	1.6
133.06493	3.0
135.08038	1.3
136.06184	48.5
137.05975	23.6
137.09587	1.6
138.06340	2.1
143.08571	0.8
147.11678	1.0
149.06039	1.0
151.03870	3.0
151.07509	2.0
152.05673	2.3
153.05437	1.4
163.07513	6.5
167.07024	1.5
167.10629	1.1
174.06612	1.0
174.07912	8.6
178.06212	0.7
183.13866	0.8
189.08945	0.7
193.12312	1.1
200.59679	0.8
201.16747	0.8
203.10649	0.8
211.13310	1.1
219.10191	2.1
231.14917	100.0
232.15279	6.3
251.12512	0.8
295.13400	1.1
302.17499	3.0
346.19138	1.5
363.11435	1.4
363.19000	2.4
364.19833	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09760	0.2
54.62461	0.2
56.58421	0.3
60.31770	0.2
67.05476	0.3
68.36295	0.3
69.07036	0.3
69.70001	0.9
81.07037	0.3
91.05478	1.4
93.07046	0.4
95.08627	0.2
104.02522	0.3
108.19618	0.2
115.05421	1.2
117.05731	0.4
117.07011	1.3
118.06539	27.5
119.06868	0.9
123.85349	0.3
130.06506	0.3
132.08054	1.9
133.08838	0.9
134.09651	0.9
142.06551	1.9
143.07320	1.9
144.08089	11.5
145.08472	0.4
146.06003	49.1
146.09618	1.8
147.06342	1.4
155.06013	0.3
160.07559	0.7
170.06023	4.1
176.14339	100.0
177.14685	4.3
188.07062	30.9
189.07452	1.4
203.11687	0.2
214.87479	0.3
216.13852	0.9
221.05966	0.4
225.90874	0.3
228.23213	0.3
234.14958	2.1
249.05473	0.4
283.56546	0.3
305.04578	0.3
320.07068	0.3
320.18454	0.4
327.25433	0.6
328.19220	0.6
346.20358	0.5
348.06430	1.2
350.69244	0.3
363.08624	2.8
363.20752	26.7
364.21133	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18200	0.5
50.56715	0.5
55.05507	1.0
57.03442	0.6
69.07046	0.8
69.21643	1.2
69.22061	2.2
70.09948	0.5
70.25117	0.6
73.42163	0.4
73.58489	0.5
76.86948	0.6
79.05507	1.1
81.07042	0.8
84.30894	0.5
93.07029	1.5
95.08598	1.0
100.60877	0.5
105.07034	1.0
107.08568	1.4
109.10181	0.6
119.08566	0.8
121.06550	0.9
121.10135	0.7
131.08562	0.6
135.08127	0.6
145.98555	0.6
163.11168	0.8
177.12782	1.7
204.08675	0.5
209.11632	0.6
261.22244	1.4
283.66727	0.6
289.21582	6.4
331.18631	0.7
342.53342	0.6
345.16013	0.5
345.60681	0.5
360.58807	0.6
361.25922	0.5
363.08701	2.2
363.21396	100.0
364.17566	0.7
364.21735	8.3
364.25882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2139
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
54.51714	0.6
58.34007	0.5
60.61021	0.4
64.04890	0.5
69.11697	1.8
69.12123	1.5
134.68533	0.5
147.67514	0.5
177.09129	0.6
209.11462	1.0
295.95474	0.4
313.08951	0.6
329.87469	0.5
335.06042	0.6
363.21387	100.0
364.21680	7.2
388.89609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
60.16921	0.3
69.63954	1.5
79.05488	0.5
81.07014	0.4
93.07058	0.5
95.08620	0.4
105.06986	0.5
107.08549	0.5
120.18764	0.4
121.06477	0.4
121.10120	0.5
131.08592	0.4
145.10197	0.4
154.48845	0.3
177.12746	0.9
209.11496	0.8
261.22180	0.6
269.25885	0.4
289.21533	2.7
328.31693	0.4
331.18768	0.9
347.73248	0.4
363.21399	100.0
364.21713	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.01864	0.5
55.05519	3.3
56.93658	0.3
57.07082	1.9
65.03930	0.4
67.05505	4.3
67.22826	0.4
67.83151	0.4
69.03384	0.4
69.06724	0.5
69.07078	8.9
71.04995	1.6
71.08625	0.8
79.05489	3.0
81.06622	0.7
81.07062	9.2
83.04974	0.5
83.08627	2.9
85.06556	1.4
91.05508	1.9
93.07057	5.1
95.04975	0.4
95.08610	8.0
96.08916	0.5
97.06547	2.0
97.10169	0.8
99.08073	0.6
105.07023	2.5
107.08607	4.5
109.06528	8.0
109.10173	4.2
111.08066	1.8
117.07067	0.4
119.08563	3.3
121.06520	0.6
121.10164	2.9
123.08076	47.2
123.11694	2.0
124.08382	1.3
125.09507	0.4
131.08562	0.8
133.10155	2.3
135.08044	3.6
135.11717	1.7
137.09624	2.7
137.13249	0.6
145.10182	0.7
147.11703	1.7
149.09650	1.3
149.13315	1.8
151.11191	0.6
159.11731	1.3
161.13304	0.7
163.11154	0.6
165.12846	0.9
167.14343	1.1
171.98233	0.4
173.13211	0.6
177.12785	0.5
179.14311	19.6
180.14685	0.7
189.16537	0.4
193.15891	0.5
208.78960	0.4
233.19110	0.8
247.20557	0.6
263.20248	0.5
275.20099	0.9
289.25281	0.9
303.26611	0.4
307.22641	7.2
331.26389	4.2
343.49634	0.4
363.28940	100.0
364.29315	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05513	5.8
57.07072	12.1
61.71152	1.0
67.05499	5.3
69.07066	7.2
71.08628	11.0
71.75449	0.9
79.05481	3.1
81.07039	8.7
83.08614	2.8
85.06528	2.8
85.10177	2.0
89.06032	18.2
91.05461	3.1
93.07052	4.9
95.04957	3.5
95.08608	8.9
97.10157	2.2
99.08080	3.2
104.99281	1.8
105.07004	3.9
107.07053	1.8
107.08579	3.6
109.06512	23.9
109.10163	1.8
111.08047	1.2
119.08574	6.2
121.06528	1.6
121.10162	2.8
122.07279	1.5
123.08072	23.2
130.08679	1.3
131.08589	1.4
133.08582	5.8
133.10065	1.5
135.08052	3.6
137.09607	1.3
142.57710	1.1
145.10149	1.8
147.11647	2.1
149.09676	1.9
151.07552	2.8
159.11711	1.5
161.13280	1.8
165.12770	15.8
179.14304	78.3
180.14684	4.3
193.15962	3.2
195.12302	6.3
224.06549	1.2
247.20656	1.8
288.03201	1.1
300.43286	1.2
317.28354	2.1
345.27914	14.6
346.28351	1.0
363.25604	4.2
363.28909	100.0
364.25214	2.0
364.29095	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.7
66.04922	0.3
66.74943	0.3
69.03401	0.4
70.06591	4.0
71.45744	0.3
81.03400	1.3
81.07046	0.4
84.08104	0.5
85.02904	0.9
91.05448	0.7
95.04923	0.5
97.06527	0.5
104.05263	0.4
107.04958	3.5
107.08560	0.4
109.06477	0.5
115.03937	0.4
119.04862	0.4
120.08076	0.7
121.10164	0.4
123.04437	1.0
131.04901	0.5
137.05937	1.0
146.31912	0.4
147.04388	0.5
149.05965	0.5
152.04817	0.4
154.05818	0.4
160.07561	1.1
162.09135	0.4
167.05702	0.3
167.07014	7.6
176.07057	2.4
177.07930	2.3
178.08585	0.7
181.06396	0.5
185.08018	0.4
189.07019	0.4
190.08618	0.8
195.08098	0.9
207.08073	0.9
210.09097	0.4
217.13461	0.7
223.07442	0.6
227.09294	0.4
235.07599	0.7
240.10237	0.6
245.13033	0.4
247.07457	0.5
254.08089	1.1
254.11783	1.7
256.13440	0.5
266.11691	0.4
268.09592	1.2
269.10510	1.8
275.06952	0.4
276.07803	0.5
282.11136	0.8
283.11996	6.2
284.12790	100.0
285.13132	6.6
289.08679	0.5
291.10196	0.6
303.06592	0.6
321.11328	0.9
323.01688	0.4
364.08456	26.7
364.66965	0.5
365.10132	5.2
365.17780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
56.96548	4.4
59.41638	2.6
68.62019	2.5
69.03419	3.8
70.06599	4.2
79.05503	13.5
81.03409	6.4
84.08146	4.2
85.02899	10.5
86.09711	2.6
91.05479	35.4
91.25574	2.5
93.07044	54.6
95.04939	15.0
97.02899	3.9
98.97586	13.1
98.98523	3.0
101.80592	2.4
103.05471	32.4
105.04512	7.6
105.07027	3.2
107.04968	11.1
116.38083	2.5
116.98573	4.3
119.04935	20.0
121.06513	78.3
122.06885	3.9
123.04445	6.3
123.62811	2.6
127.03973	3.0
131.04935	50.1
140.06825	2.8
145.04977	2.9
149.05989	100.0
150.06258	3.5
156.11259	2.8
162.37097	2.7
167.07063	22.4
177.00923	3.1
185.04272	3.8
203.05260	10.8
206.09035	3.3
208.96152	3.4
218.07193	3.0
219.01888	7.6
222.06432	4.4
233.05861	3.3
245.05273	4.2
246.06830	5.4
247.07268	6.9
248.08502	3.2
254.79370	2.5
263.10767	6.1
275.06934	5.5
276.07712	4.9
284.12814	10.3
289.08765	6.0
291.06882	3.6
291.10150	7.7
303.06534	9.2
321.11139	11.9
323.09647	3.4
326.11075	2.9
335.09009	9.8
340.12338	6.2
352.12631	22.8
353.12378	4.6
364.09018	2.9
364.12753	54.6
365.10217	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.3
61.02927	0.4
69.03438	0.7
70.76965	0.7
71.66757	0.3
76.43534	0.4
78.04733	1.9
79.05501	0.4
81.03415	0.5
81.08707	0.4
85.02913	3.3
93.07042	0.3
95.04955	0.4
97.02896	1.2
106.04182	1.1
107.05012	0.5
109.02893	0.5
120.75459	0.3
123.04453	5.5
124.05204	1.1
135.32349	0.4
137.06029	0.4
140.04713	0.8
145.04942	0.7
149.06009	0.3
151.03961	1.0
152.04726	1.7
155.07072	0.6
167.07051	100.0
168.07408	3.2
180.08681	1.0
185.08118	1.2
203.05144	0.4
275.07010	0.4
291.10117	0.6
303.06235	0.5
307.09686	0.5
321.11310	0.7
364.10931	0.4
365.10287	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75626	0.3
51.51905	0.3
55.01874	0.4
55.05511	1.0
56.47952	0.3
57.03453	0.8
64.08157	0.3
67.05509	1.7
69.03451	0.4
69.07073	0.7
70.24273	0.6
71.05005	0.4
75.04499	0.4
79.05508	1.5
81.03421	3.9
81.07055	2.2
83.04977	0.6
83.08617	1.4
84.26161	0.3
85.02914	1.2
85.06551	0.3
93.07046	2.6
94.04089	0.4
95.04969	0.9
95.08590	1.1
97.02891	0.4
97.06536	0.9
97.10139	0.3
102.09193	0.4
105.07036	1.3
107.04919	0.5
107.08608	0.8
111.08100	0.8
119.03581	1.6
119.08614	1.0
120.08041	0.3
121.10147	1.7
129.07043	0.5
131.08636	0.7
133.10190	0.6
135.22208	0.4
136.06192	100.0
137.04604	6.0
137.06685	1.5
137.24722	0.3
147.11676	0.6
149.09669	0.6
152.05708	0.6
157.10150	0.7
167.10698	1.5
172.43349	0.3
174.07861	2.0
175.08208	0.8
175.11230	0.8
177.07925	0.4
193.12268	1.5
211.13303	2.2
219.08125	0.3
231.14955	5.3
232.15266	11.5
233.15555	0.4
248.08229	0.4
263.10748	0.4
273.13647	0.5
275.06912	0.5
289.08569	0.4
291.10187	0.4
302.17502	3.4
303.06668	0.7
310.16678	0.4
320.18573	0.9
321.11267	1.0
328.17850	0.6
328.57129	0.3
346.18802	2.6
364.19806	33.1
365.10333	3.6
365.15610	1.7
365.19565	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
57.03429	6.9
57.07097	1.2
59.04996	1.2
61.02925	1.9
65.84980	1.2
67.05496	3.2
69.03413	3.9
69.07058	1.7
69.61628	4.5
73.02887	1.0
73.06142	1.0
75.04480	11.6
79.05483	9.3
81.03409	3.2
81.07056	13.3
83.08652	1.4
84.08132	2.2
85.02898	14.8
87.04469	2.3
91.05475	10.5
93.07041	84.3
94.07340	1.7
95.04966	6.1
95.08599	7.9
96.19952	1.1
97.02883	4.2
97.06499	1.5
105.04451	1.7
105.07030	7.0
107.05010	1.7
107.08556	4.1
109.02862	1.5
111.08086	10.4
113.51238	1.2
119.08567	2.4
121.10139	100.0
122.10478	3.2
123.08136	1.5
123.11685	6.9
125.05981	3.2
127.03928	3.0
131.08537	2.5
133.07568	2.0
136.06180	61.9
137.04607	2.1
139.11182	20.3
145.04936	3.5
145.10280	1.2
149.09625	15.1
163.05980	2.1
167.10681	54.4
168.10950	2.2
178.96628	1.1
185.11732	1.8
255.40050	1.3
259.90756	1.3
284.12762	1.9
288.66687	1.2
302.17346	2.7
304.08194	6.8
311.15039	1.3
328.17310	1.4
332.07632	1.2
346.18695	5.5
350.08612	2.0
364.10074	4.7
364.19772	41.9
364.25610	1.9
365.11093	1.8
365.15637	3.0
365.20056	3.3
375.13474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05505	3.5
55.47588	1.3
57.03435	7.6
59.04980	1.2
61.02919	2.8
62.97969	1.1
67.05496	2.8
69.03419	4.3
69.07078	1.4
69.27052	6.5
69.55008	1.1
71.04984	2.0
75.04472	13.8
77.03915	1.5
78.37929	1.3
79.05484	10.1
81.03415	6.0
81.07056	15.4
85.02902	17.3
91.05477	9.4
93.07043	98.5
94.07388	2.8
95.04956	5.2
95.08606	7.9
97.02915	5.9
97.06542	2.0
105.04528	1.4
105.07030	6.6
107.08587	2.5
111.08072	15.4
119.03505	2.3
119.08557	2.4
121.10143	100.0
122.10502	5.2
123.08060	2.3
123.11712	2.7
125.05986	3.4
127.03923	1.8
131.41563	1.1
133.07552	1.4
136.06183	86.3
137.06592	2.0
139.11177	21.3
145.04976	4.1
149.09596	12.9
163.06134	1.4
167.10674	43.7
168.11053	2.1
169.12267	3.5
185.11732	1.3
192.94113	1.4
198.07651	1.7
220.39969	1.4
234.24126	1.2
267.13113	1.3
304.08148	7.5
320.18527	4.2
328.17715	2.0
346.18719	12.7
364.10223	4.9
364.19778	71.2
365.15845	2.7
365.20331	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34792	0.2
55.05503	0.7
57.03433	0.3
67.05512	1.0
69.03417	0.3
69.07059	0.3
71.04987	0.2
76.60494	0.2
79.05485	0.8
81.03413	3.7
81.07051	1.1
83.04964	0.6
83.08617	1.0
85.02893	0.5
93.07039	0.8
94.04047	0.4
95.04966	1.3
95.05497	0.3
95.08613	0.5
97.10131	0.2
105.07060	0.9
107.04952	0.2
107.08608	0.5
109.05119	0.3
109.06503	0.2
111.04441	0.2
111.08073	0.4
119.03560	1.3
119.08564	0.8
121.10168	0.4
129.07060	0.3
131.08566	0.6
133.06494	0.2
133.10088	0.3
136.06178	100.0
137.04591	1.1
137.06618	1.4
142.07730	0.3
147.11668	0.7
149.09676	0.3
152.05658	2.7
157.10126	0.7
174.07785	1.1
175.11180	0.6
193.12244	1.9
211.13298	2.2
228.83852	0.2
255.07994	0.2
302.17474	1.1
310.16632	0.4
320.18646	0.3
328.17734	0.5
346.18741	2.1
364.19763	34.4
365.20050	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0655
Annotation	Dehydropachyrrhizone
Peak:m/z	Relative Intensity
50.36942	1.0
55.01866	1.1
55.05494	3.6
56.96562	0.9
57.03422	2.0
57.07064	1.2
67.05489	4.9
68.56690	0.9
68.59684	1.0
69.07054	5.5
69.24084	7.2
70.06577	2.6
73.40555	1.1
79.05477	3.5
81.07041	4.2
83.08599	2.1
88.07597	2.8
89.07956	1.3
91.05460	3.6
93.07027	3.6
95.04952	1.3
95.08601	3.3
97.02894	1.8
97.10149	3.2
99.60183	1.1
102.09153	1.4
105.07027	2.6
107.04956	1.0
107.08576	3.8
109.10173	1.3
110.13360	1.1
117.07021	2.1
119.08535	1.2
125.09597	1.7
131.08569	1.4
147.07922	1.2
147.11734	1.3
165.07065	2.4
176.06168	2.7
177.06956	4.0
178.07732	1.1
179.08522	1.4
189.06982	1.2
189.11298	1.3
191.04941	1.6
193.06444	3.0
203.04776	1.6
205.06468	18.2
217.06316	1.1
221.06015	4.2
223.07549	2.3
223.13257	3.3
228.45799	1.2
231.00778	1.1
231.04402	5.9
233.05951	19.3
234.06476	2.0
235.07518	4.3
237.05365	2.0
249.05440	4.3
251.07072	3.3
255.09021	5.2
256.26468	2.6
257.26645	2.7
258.27087	5.1
259.03940	3.4
261.05444	47.2
261.09778	1.9
262.05899	3.9
263.06970	5.3
273.10059	4.4
273.18555	2.4
275.07028	1.4
277.04926	8.5
278.05682	1.4
278.40988	1.3
279.06424	5.8
287.03311	4.1
289.04947	54.6
290.05258	5.7
291.06491	2.9
291.19562	15.3
303.06464	1.3
305.04413	7.8
307.05963	6.1
316.85281	1.1
317.04422	29.7
318.04559	2.5
319.06091	6.5
320.06531	1.2
321.11407	2.4
335.05469	43.6
336.05884	4.2
337.07086	1.8
347.05453	31.8
347.09528	2.0
347.15216	1.3
348.05713	3.0
358.07144	1.6
364.33224	13.2
365.06448	99.0
365.10245	11.0
365.16620	7.3
365.22983	100.0
366.06958	7.5
366.23166	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0657
Annotation	Xanalteric acid I
Peak:m/z	Relative Intensity
54.90786	0.6
55.05449	0.6
57.06973	2.0
58.06523	0.7
58.07085	0.6
64.12545	0.5
67.00941	0.6
67.05421	1.2
69.06991	0.7
69.29897	1.1
69.30305	2.3
70.06486	5.6
70.06899	0.8
71.06820	2.0
71.07204	0.9
71.08553	0.8
72.08058	0.7
76.56261	0.5
79.05416	0.9
81.06997	1.2
83.08439	0.6
84.08053	1.1
86.09630	0.9
88.07510	3.1
89.07838	1.7
91.05353	0.5
93.06952	1.1
95.08475	0.7
98.22649	1.1
98.23265	2.4
102.09048	1.6
103.09415	1.0
105.06967	0.9
132.10109	1.3
133.10434	1.0
146.11633	1.6
147.12039	1.3
148.12227	0.8
164.13330	0.5
170.02736	0.6
177.06859	1.1
198.29301	0.6
199.58502	0.6
203.04578	0.6
205.06381	2.0
208.94859	0.5
213.24026	0.7
219.07962	1.1
232.08716	0.7
233.05965	31.3
234.06314	2.2
246.06691	1.3
247.07440	1.4
248.08192	1.2
249.09232	0.7
256.26218	2.2
257.26688	3.5
258.27020	6.0
259.27277	0.6
260.08319	1.1
261.05466	39.1
262.05753	2.4
263.06805	1.3
263.10626	1.1
273.18295	1.0
275.06995	1.9
276.07703	1.7
277.08496	0.9
289.04950	19.5
289.08170	1.1
290.05334	1.5
291.06790	0.9
291.10107	1.6
291.19553	1.1
300.28922	1.7
301.29373	2.3
302.29602	10.8
303.06491	3.0
303.29852	1.5
307.09583	1.4
317.04446	31.0
318.04788	1.7
319.06238	3.1
319.09579	1.1
321.11136	4.3
335.09094	1.5
347.05487	100.0
348.05859	7.1
364.33234	49.3
365.06647	1.0
365.10254	15.8
365.22977	26.3
365.33405	7.8
366.10721	0.9
366.23175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0658
Annotation	Justicidone
Peak:m/z	Relative Intensity
55.05521	0.6
57.80916	0.7
69.07118	0.7
70.76266	1.0
77.64632	0.6
79.05541	0.9
81.07081	1.1
83.46722	0.6
85.54641	0.7
90.00039	0.6
91.05518	1.3
93.07076	0.9
95.08639	1.0
105.07074	1.2
109.06611	0.7
135.08047	0.7
146.06027	0.7
148.61537	0.6
161.09689	0.6
175.05493	1.5
176.06316	1.1
176.14400	1.3
177.07072	2.9
177.14696	1.2
188.07167	0.8
189.07088	1.0
191.05025	1.6
203.04942	3.6
205.06503	9.4
207.04375	0.7
219.04553	0.8
231.04405	3.8
232.04893	1.1
233.05978	44.1
234.06441	2.5
235.07518	0.9
237.05563	2.2
245.05997	0.8
246.06616	0.8
247.07616	2.1
249.05537	1.6
251.06940	1.3
259.03824	1.4
260.08066	0.7
261.05481	68.2
262.05881	4.6
263.07062	14.0
264.07492	0.9
265.05020	1.1
275.07129	2.3
277.05042	1.2
279.06577	5.4
289.04962	58.4
290.05389	5.1
291.06537	16.9
291.09888	1.4
292.06827	1.8
293.04474	3.7
293.07349	0.8
303.06525	2.5
304.07178	0.8
305.04599	0.8
305.08054	1.2
307.06021	62.4
308.06348	3.8
317.04431	26.4
318.04980	1.8
319.06046	19.0
319.09805	1.0
320.06525	2.6
321.07657	9.9
321.11249	2.3
335.05515	100.0
336.05768	8.0
347.05511	87.6
347.18332	2.7
348.05945	5.3
364.21161	1.3
365.06516	33.6
365.10382	7.1
365.19421	19.3
366.06787	1.9
366.19009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.066
Annotation	Justicidone
Peak:m/z	Relative Intensity
51.04867	0.4
55.05517	0.8
57.03426	0.6
67.05492	1.1
67.39906	0.5
79.05488	1.2
81.07058	1.6
91.05479	0.6
93.07057	0.8
93.09652	0.6
95.08582	1.1
105.06983	0.8
107.08549	0.7
108.21138	0.5
109.10183	0.6
119.08557	1.2
126.05151	0.6
135.11731	0.6
146.06004	0.5
147.02084	0.5
172.90027	0.5
176.06223	1.1
177.07016	3.5
177.14700	0.7
189.07214	0.8
191.04979	1.3
203.04807	2.6
205.06491	9.3
206.06851	0.7
207.04346	0.7
209.06097	1.1
217.06667	0.6
219.04434	0.6
219.07935	0.9
221.05890	0.7
221.11597	0.7
231.04457	3.9
233.05974	47.7
234.06369	3.1
235.03989	0.8
235.07468	1.1
235.12672	0.5
236.08536	0.7
237.05504	2.6
245.06009	0.9
246.06842	1.0
247.07568	1.8
248.08275	1.2
249.05400	1.6
251.07219	0.6
259.03937	0.7
260.08273	1.4
261.05475	64.0
262.05875	5.3
263.07053	14.8
263.10205	1.1
264.07401	1.2
265.04929	1.8
267.12073	3.4
273.18591	0.6
275.07040	2.2
276.07648	1.0
277.04831	1.0
277.08661	0.8
279.06555	6.8
289.04965	54.8
290.05353	3.8
291.06512	14.6
291.09869	2.2
292.07040	1.3
293.04431	3.8
303.06516	3.3
303.19345	1.9
305.04401	1.0
307.06015	59.7
308.06247	4.8
317.04446	19.7
318.04907	1.9
319.06042	21.4
319.09732	1.3
320.06467	2.3
321.07550	12.5
321.11252	3.6
321.16708	1.5
333.09937	2.4
335.05502	100.0
336.05807	7.0
347.05511	88.3
347.18353	3.6
348.05878	7.5
364.17859	0.8
365.06519	43.1
365.10342	12.1
365.19421	55.5
366.06866	3.4
366.10831	0.8
366.19528	1.6
366.23334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0658
Annotation	Justicidone
Peak:m/z	Relative Intensity
54.97514	0.8
63.86134	0.9
67.05481	0.9
68.19289	0.7
68.85992	0.7
69.28645	2.0
69.29045	2.5
89.11522	0.9
95.08580	1.1
97.06564	0.9
98.23527	1.5
99.81323	0.9
106.79613	0.8
116.23014	0.8
149.56413	1.0
176.06215	1.4
177.06975	2.2
189.07037	1.0
203.04961	1.3
203.08514	1.4
205.06491	8.3
214.80389	0.8
218.07240	1.1
219.08012	1.1
231.04417	2.6
231.08029	0.9
232.08894	1.3
233.05966	30.1
234.06284	1.7
235.07491	2.0
237.05396	1.2
245.05988	1.4
246.06786	3.4
247.07507	4.0
247.60725	0.8
248.08324	2.5
249.05389	1.2
260.08200	1.7
261.05453	41.5
262.05902	3.3
263.07022	10.6
263.10614	1.9
264.07504	1.6
265.04938	1.2
267.11966	1.1
275.06952	5.8
276.07864	2.7
277.04907	1.1
277.08643	0.9
277.14096	2.0
279.06625	3.9
289.04959	36.3
289.08420	3.2
290.05365	3.6
291.06534	12.0
291.10156	5.3
292.06912	1.2
293.04391	2.3
303.06516	7.9
305.08047	1.3
307.06003	34.8
307.09412	2.4
308.06277	2.7
317.04465	15.0
318.05023	1.0
319.06067	14.0
319.09521	1.0
320.06586	1.6
321.07574	8.2
321.11240	6.7
322.07785	0.9
327.43018	0.9
333.07565	1.1
335.05487	61.5
335.08951	3.5
336.05771	4.0
347.05475	56.4
347.18329	3.3
348.05795	5.0
364.24548	1.3
365.06458	23.4
365.10269	32.3
365.19351	100.0
366.06693	1.7
366.10645	1.7
366.19751	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0657
Annotation	Justicidone
Peak:m/z	Relative Intensity
51.93474	0.8
55.05507	1.4
57.03433	1.5
67.05497	2.5
69.07063	1.1
69.26077	4.5
71.04945	1.3
73.02905	0.9
79.05477	2.8
81.07051	3.8
83.04971	1.6
91.05480	1.9
93.07032	2.8
95.08624	2.2
98.23528	1.6
105.07040	2.4
107.08588	2.2
109.06514	1.6
109.10151	1.3
119.08587	3.0
125.09557	1.2
131.08586	1.7
133.10130	1.4
136.06119	0.9
143.08487	1.2
145.10107	1.3
159.11714	2.2
175.10919	1.1
176.06264	1.8
177.06963	1.7
189.07068	1.5
189.64978	0.9
191.04933	1.4
195.09891	1.0
203.04910	1.9
205.06439	6.8
214.53751	0.9
215.18085	1.0
218.07219	1.2
219.08080	2.0
220.08786	1.0
225.11240	1.1
231.04359	2.5
232.08792	1.1
233.05966	34.8
234.06346	2.0
237.05460	1.8
246.06795	1.5
247.07590	3.5
249.05560	1.2
260.08365	2.3
261.05466	45.5
262.05862	3.0
263.07053	10.7
263.10706	1.5
264.07602	0.9
275.07010	3.3
276.07803	1.6
277.04947	2.3
277.08453	0.9
277.14130	2.7
279.06442	4.2
279.09814	1.2
289.04956	42.5
289.08334	3.0
290.05350	3.7
291.06516	9.9
291.10062	3.8
292.10953	1.0
293.04474	3.3
303.06516	5.4
307.06003	43.4
307.09485	3.4
308.06442	2.7
309.31342	0.9
317.04431	15.3
318.04755	1.7
319.06021	17.5
319.09439	0.8
319.32593	1.2
320.06534	1.7
321.07547	6.9
321.11230	7.8
333.07559	1.2
334.08267	1.7
335.05493	67.1
335.08908	3.7
336.05960	4.8
347.05484	53.2
347.18365	5.7
348.05823	5.1
364.24835	3.0
365.06445	26.0
365.10318	24.0
365.19339	100.0
366.06857	2.9
366.10825	2.0
366.19714	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0657
Annotation	Dehydropachyrrhizone
Peak:m/z	Relative Intensity
55.89356	0.3
69.68422	1.0
70.06573	0.4
79.05485	0.3
87.13648	0.4
101.04057	0.3
105.07027	0.4
134.84435	0.4
136.07478	0.3
143.47240	0.3
159.04358	0.6
163.05342	0.4
165.06992	1.2
175.05444	0.4
176.06242	0.9
177.06978	3.7
178.07524	0.4
179.08473	0.3
181.14932	0.3
189.06989	0.7
191.04909	0.7
193.06448	1.5
203.04674	1.5
205.06487	11.8
206.06883	0.6
207.08093	0.7
209.05986	0.4
217.06551	0.4
219.04472	0.4
221.06012	2.7
223.07581	1.0
231.04364	4.6
232.04913	0.6
233.05966	24.2
234.06393	1.5
235.07529	3.4
236.08046	0.4
246.06647	0.4
247.07555	0.8
248.08179	0.4
249.05498	2.2
251.07018	2.4
259.03928	2.3
260.04550	0.3
261.05466	33.8
262.05853	2.4
263.07028	5.9
275.07025	1.4
277.05011	1.6
279.06531	2.9
287.03516	0.8
289.04944	29.0
290.05286	2.1
291.06534	8.8
291.09799	0.5
292.06927	0.6
293.08066	1.9
301.29431	0.4
302.29584	1.1
303.06552	0.9
305.04489	0.6
305.08041	1.1
307.06018	6.1
307.09201	0.3
313.17319	0.3
317.04431	25.8
318.04730	1.6
319.05978	7.0
320.06451	1.0
321.07675	4.4
321.11157	0.8
335.05496	23.6
336.05811	1.8
337.06931	1.0
347.05493	14.4
348.05927	1.1
364.21799	0.6
364.33267	3.1
365.06534	100.0
365.22751	2.9
366.06888	8.1
366.11127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.102
Annotation	Justicidin B
Peak:m/z	Relative Intensity
69.70511	1.8
73.90656	0.4
98.22677	0.5
110.35488	0.4
141.55099	0.4
154.44855	0.4
155.95787	0.4
178.20212	0.5
189.06979	1.4
190.07698	0.8
202.07773	2.6
203.08568	1.7
205.06497	2.0
207.08020	0.7
217.06450	1.5
218.07233	3.4
219.08061	6.2
220.08844	2.3
221.09229	0.5
229.06718	0.5
230.07182	2.6
231.08107	1.7
232.08826	4.1
233.06041	2.2
233.09567	1.0
234.06622	1.3
235.07521	1.8
236.08260	0.6
245.06009	2.0
246.06752	5.8
247.07518	9.1
248.08264	6.3
249.05568	1.0
249.09076	0.6
251.10693	1.4
258.06747	1.3
259.07547	2.0
260.05319	0.7
260.08307	6.9
261.05438	1.3
261.09097	3.9
262.06311	0.5
262.09860	1.8
263.07065	2.1
263.10666	7.1
264.07870	1.0
264.11057	0.7
265.08502	0.8
273.05472	0.6
274.06213	1.6
275.06982	12.4
276.07776	7.1
277.08591	2.9
278.09369	1.6
279.10187	2.1
289.08560	7.4
290.06046	0.8
290.09207	1.7
291.06595	2.3
291.10049	13.4
291.13171	0.8
292.07385	0.9
292.10437	0.7
293.11636	1.4
302.05789	0.7
303.06494	18.4
304.07083	2.1
305.08151	1.3
306.04758	0.5
307.09525	4.2
317.08096	1.2
319.06281	0.8
319.09610	3.1
319.23404	0.4
320.06931	0.8
321.11200	23.1
322.11414	1.3
333.07538	3.2
334.08041	0.6
335.09106	13.2
336.09338	1.2
347.09189	3.6
365.10178	100.0
366.10532	6.8
367.18478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1019
Annotation	Justicidin B
Peak:m/z	Relative Intensity
63.08990	0.2
69.63797	0.5
69.64204	0.9
75.04482	0.3
115.47388	0.4
165.06982	0.3
179.04852	0.3
189.06961	2.2
190.07822	1.0
191.08611	0.7
192.09317	0.4
201.07031	0.4
202.07758	3.4
203.08562	3.1
204.05705	0.8
205.06468	3.2
206.07259	0.6
207.08084	0.9
208.08859	0.4
216.05722	0.7
217.06476	2.7
218.07259	4.8
219.08037	7.8
220.05424	0.3
220.08876	3.2
221.06010	0.9
221.09570	0.6
229.06476	0.5
230.07213	2.3
231.04364	0.4
231.08081	2.2
232.05341	0.3
232.08827	4.2
233.05977	3.0
233.09496	1.0
234.06793	0.7
235.07553	2.6
236.08437	1.2
244.05193	0.5
245.05991	3.2
245.09724	0.4
246.06767	7.9
247.07521	14.9
248.08296	7.3
249.05463	0.9
249.09084	1.2
251.10681	2.5
258.06781	1.4
259.07513	2.2
260.04727	0.5
260.05273	0.4
260.08337	8.5
261.05615	1.9
261.09039	3.6
262.06219	0.7
262.09924	1.8
263.07040	3.2
263.10687	8.5
264.07870	1.6
264.10626	0.3
265.08597	0.6
273.05438	0.9
274.06308	2.2
275.07013	15.6
276.07770	7.7
277.05228	0.5
277.08514	3.6
278.06421	0.3
278.09177	1.8
279.10181	2.4
288.07730	0.6
289.05344	0.3
289.08563	10.3
289.11722	0.6
290.05688	1.1
290.09329	1.2
291.06573	2.9
291.10150	12.8
292.07321	1.3
292.10297	0.5
293.08237	0.6
293.11667	1.2
302.05905	0.5
303.06497	18.1
304.07175	2.1
305.08014	1.7
306.08829	1.1
307.09631	6.7
308.10025	0.3
317.08084	1.1
319.06192	0.5
319.09595	3.8
320.06824	0.6
320.10336	0.9
321.11203	26.2
322.11627	1.3
329.32336	0.3
333.07626	3.6
334.08163	0.4
335.09113	12.4
336.09439	0.7
337.10693	0.6
347.09125	2.8
365.10187	100.0
366.10541	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.102
Annotation	Justicidin B
Peak:m/z	Relative Intensity
55.05506	0.4
60.61880	0.3
70.53052	0.3
72.20493	0.3
81.07041	0.4
91.05466	0.5
95.08581	0.4
103.05538	0.3
124.07592	0.4
131.08536	0.4
135.04434	2.0
137.05939	0.6
185.05954	0.5
188.06310	0.4
189.06905	2.2
190.07791	0.9
191.08562	1.5
192.09299	0.4
193.06526	0.3
198.85590	0.4
199.03757	0.3
200.04567	0.4
202.07724	2.2
203.08568	1.4
204.05760	0.5
205.06462	2.5
206.07181	0.6
207.08055	0.8
208.08849	0.4
217.06459	2.6
218.07240	3.2
219.08020	7.6
220.08784	3.0
221.06071	0.8
222.06662	0.3
229.06456	0.6
230.07240	2.2
231.07979	2.7
232.05238	0.5
232.08824	3.0
233.06012	3.6
233.09590	1.2
234.06676	0.9
235.07501	1.8
236.08229	0.9
243.06528	1.1
245.05957	2.7
246.06732	7.5
247.07513	12.9
248.08270	7.7
249.05527	0.7
249.08945	1.2
251.10651	1.5
258.06854	1.0
259.07559	2.1
260.05219	0.5
260.08279	6.8
261.05496	2.2
261.09058	3.4
262.06195	0.8
262.09802	1.9
263.07092	2.5
263.10681	7.9
264.07773	1.4
264.10846	0.4
265.08524	0.7
273.05408	0.8
274.06158	2.0
275.07007	18.2
276.07739	7.6
277.08484	3.7
278.09274	1.7
279.10068	2.1
287.07181	0.3
288.07791	0.5
289.05051	0.9
289.08563	8.3
290.05765	1.1
290.09247	1.4
291.06534	3.6
291.10141	12.0
292.07233	1.3
292.10501	0.8
293.08109	0.5
293.11667	1.1
303.06497	15.5
304.07074	2.0
305.08038	6.9
306.08667	1.0
307.06406	0.4
307.09604	6.9
317.04535	0.3
317.08118	0.8
319.06168	0.6
319.09659	2.9
320.06653	0.7
320.10172	0.7
321.11185	24.6
322.11618	1.7
333.07556	3.3
335.05551	0.7
335.09097	12.5
336.09464	1.0
337.10825	0.7
347.09009	3.6
365.10175	100.0
365.19305	5.6
366.10522	5.4
366.26474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1021
Annotation	Justicidin B
Peak:m/z	Relative Intensity
55.05495	0.9
57.03412	0.5
61.26394	0.5
63.28490	0.5
67.05492	1.2
69.31057	1.7
81.07050	1.7
91.05489	0.6
93.07013	1.3
95.08595	1.0
98.22736	1.1
105.07011	0.8
107.08570	1.0
109.06549	0.6
115.07299	0.4
119.08559	0.6
145.10146	0.7
152.46745	0.5
159.11722	0.7
177.07047	1.0
189.06975	1.6
190.07751	1.1
191.08575	0.8
193.05014	0.9
195.09979	0.8
202.07774	2.3
203.08524	2.5
205.06451	4.3
209.06056	0.5
216.05635	0.9
217.06599	2.5
218.07277	2.3
219.08081	6.7
220.08824	2.0
230.07343	1.6
231.04428	1.2
231.07947	2.3
232.08842	3.5
233.05983	7.1
234.06554	0.8
235.07559	2.2
236.08188	1.1
245.05949	2.2
246.06758	7.6
247.07545	10.0
248.08287	6.6
249.05539	1.3
249.08893	1.6
251.10579	1.4
258.06757	1.0
259.03812	0.6
259.07526	1.5
260.04742	0.9
260.08307	6.6
260.10843	0.7
261.05502	9.7
261.09009	2.7
262.06186	1.6
262.09903	1.2
263.07077	5.6
263.10681	7.4
264.07779	1.2
264.10898	0.8
265.08707	0.6
273.18591	1.2
274.06210	2.1
275.06989	14.0
275.09918	0.7
276.07755	8.8
277.05011	2.5
277.08527	3.5
278.09357	1.6
279.06479	0.8
279.10080	2.1
288.07776	0.5
289.04971	6.7
289.08600	8.3
290.05634	1.7
290.09290	1.6
291.06534	5.0
291.10135	13.1
291.13211	0.9
291.19772	0.5
292.07190	1.4
292.10382	0.8
293.04575	0.6
293.08026	1.0
293.11533	0.8
302.05704	0.6
303.06509	19.2
304.07080	2.5
305.04712	0.8
305.08063	2.1
306.08719	0.5
307.05981	6.5
307.09641	7.0
317.04471	2.9
317.08130	1.2
319.05966	3.4
319.09674	4.1
320.06683	1.0
320.10226	0.8
321.07562	1.6
321.11154	27.8
322.11578	1.9
322.23792	0.6
333.07626	3.4
335.05414	11.4
335.09183	13.8
336.05722	1.4
336.09409	0.9
345.39722	0.5
347.05463	9.4
347.09222	4.1
347.18225	2.6
348.05826	0.7
364.24850	0.7
365.06717	4.9
365.10202	100.0
365.19321	57.3
366.10535	7.6
366.19678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87508	0.3
55.29272	0.4
62.13427	0.3
63.03755	0.3
74.09706	0.8
84.04586	0.3
94.93010	0.7
112.89600	0.9
118.08633	0.8
119.01961	0.3
131.01968	0.4
142.01788	0.4
143.01936	0.6
155.01930	0.4
156.04207	9.9
156.05495	0.6
161.02974	0.5
173.02907	0.5
176.07764	0.4
182.05864	0.5
185.04211	16.2
186.04620	0.4
197.02859	0.4
203.05254	37.8
204.05713	1.2
216.05415	0.6
221.04428	0.4
245.05104	1.4
263.92761	0.6
322.95245	0.4
347.00626	0.4
365.10568	100.0
366.10974	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65593	0.5
79.18306	0.5
98.98503	0.7
112.89585	0.5
114.99615	0.6
119.01907	0.9
137.18030	0.5
173.02991	0.6
185.02667	0.7
185.04236	14.4
203.05264	32.5
204.05598	0.8
217.06419	0.6
219.08205	0.5
243.31381	0.5
245.05113	1.4
246.06651	0.7
247.07545	1.1
248.08241	1.3
252.89218	0.7
260.08316	0.8
263.10706	1.5
275.07059	1.7
276.07721	1.0
277.08282	0.7
289.08679	1.4
291.10226	1.8
303.06479	1.9
321.11166	3.1
333.07477	0.7
335.09235	2.2
365.10504	100.0
366.10602	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.7
56.96567	8.5
57.03453	3.4
65.24961	1.8
67.05495	6.6
69.07062	4.0
79.05499	6.5
81.07072	16.9
83.04984	3.5
83.08620	4.0
84.39904	2.1
91.05488	5.2
93.07056	4.4
95.04962	2.9
95.08592	4.7
105.07037	5.4
107.08604	3.8
108.89866	2.0
109.06519	7.4
111.04461	3.0
119.08605	5.9
121.06498	2.9
121.10140	4.6
125.05775	2.6
131.08644	3.1
145.10120	3.7
202.07851	2.9
203.05998	3.1
205.16478	2.5
218.07104	2.8
219.08003	3.9
233.05983	3.8
234.06705	2.4
246.06740	4.4
247.07576	9.3
248.08293	6.4
249.05469	2.9
251.07014	2.4
255.09053	5.5
256.33328	2.7
260.08429	7.2
261.05508	3.0
261.09103	3.4
262.06265	4.9
263.07053	6.8
263.10153	3.0
263.12613	9.0
264.07773	2.6
267.08994	15.5
273.10376	3.1
273.18466	6.1
275.07077	10.3
276.07855	6.8
277.08585	4.4
285.10092	31.2
289.05258	3.1
289.08673	7.3
290.05945	2.9
290.09229	3.0
291.06516	10.2
291.10162	8.9
291.19586	11.0
292.07144	2.9
293.11832	2.4
303.06558	14.2
303.11496	4.3
303.19489	3.1
304.06839	2.5
305.04678	2.5
305.07858	4.2
306.08795	4.3
307.06174	4.5
307.09656	9.6
319.06030	4.6
319.09537	2.6
321.07962	3.4
321.11160	16.1
333.07590	9.4
334.08377	29.0
335.05453	4.6
335.08957	15.4
347.09177	6.4
347.18307	7.5
347.22278	3.2
350.07831	7.7
365.06677	4.5
365.10254	100.0
365.18634	17.7
365.23026	88.2
365.32004	4.4
366.10751	21.7
366.23404	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.3
55.05513	30.3
56.10990	5.7
56.96577	7.4
57.03434	13.6
67.05494	36.1
69.03430	13.3
69.07066	30.4
70.19243	7.8
70.19568	6.5
70.37182	5.7
77.99387	5.3
79.05512	31.5
81.03438	6.9
81.07056	28.2
82.00307	32.4
83.04991	8.8
83.08616	6.3
91.05491	17.2
93.07044	24.6
95.01103	21.8
95.04953	14.3
95.08609	16.9
97.02929	9.5
97.06516	8.5
97.10181	11.0
105.07021	17.6
107.08618	16.2
109.06497	6.9
109.10194	12.3
111.08108	6.5
117.06992	7.2
119.08567	19.5
121.02652	8.2
121.10130	14.3
125.09653	12.5
128.56969	5.4
133.20729	6.6
135.08025	8.4
145.10132	13.1
147.11720	6.3
149.09462	15.6
151.07356	7.6
152.08139	6.8
163.03687	22.3
163.11118	6.2
165.05241	44.1
165.08890	9.7
166.09686	22.3
180.11197	37.0
189.11218	7.5
193.12225	6.3
195.10031	15.3
205.06450	34.1
208.10719	25.3
219.07990	8.0
223.13354	21.7
233.05991	28.8
247.07619	7.9
248.07993	5.8
261.05511	46.2
263.06924	9.6
263.10718	6.5
273.18521	21.9
275.07037	8.9
276.07629	10.3
277.14099	100.0
277.17041	7.8
278.09097	9.0
278.14493	7.6
289.05035	21.7
289.14133	11.7
291.06537	9.5
291.10242	14.8
291.16614	10.5
291.19534	82.6
292.19608	9.5
303.06500	18.5
305.13461	9.8
306.14432	9.8
307.09399	5.8
307.15115	55.6
317.04507	37.9
319.09409	7.2
321.11307	26.3
335.08902	9.9
347.05444	90.5
347.09140	7.6
348.05701	14.0
364.32651	14.0
365.06137	9.0
365.10202	98.4
365.19281	97.1
365.23221	83.8
365.32715	16.8
366.10767	7.0
375.38080	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24641	0.3
54.80879	0.4
62.64672	0.4
64.59877	0.3
69.28255	2.0
79.05469	0.7
81.07074	0.6
91.05463	0.9
92.05785	0.4
93.07052	0.6
95.08570	0.6
98.23418	0.9
103.40524	0.4
105.06987	0.8
107.08592	0.4
110.86774	0.4
119.08543	0.5
124.07578	0.4
133.10066	0.4
135.04422	0.5
157.10060	0.4
160.50740	0.3
165.07175	0.4
193.08362	0.4
195.09901	0.9
219.07939	0.5
220.77711	0.4
223.12863	0.3
233.06053	0.9
235.07532	0.4
246.06798	0.5
247.07607	0.8
248.08258	0.8
251.12582	1.4
260.08362	0.8
261.05453	1.1
263.07019	0.6
263.10706	0.7
273.79721	0.4
275.07086	1.1
276.07718	0.6
277.08496	0.4
289.05148	0.9
289.08426	0.9
291.06845	0.7
291.10196	1.4
303.06625	1.4
304.06937	0.6
315.25946	0.4
317.04346	0.9
321.07971	0.6
321.11111	2.8
333.07642	0.7
335.05420	1.1
335.09125	0.8
347.05417	0.9
347.18414	2.1
365.06476	1.5
365.10129	9.1
365.19360	100.0
366.10443	1.3
366.19635	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
56.12898	0.7
57.07061	2.8
60.59498	0.7
61.67517	0.6
66.14436	0.7
67.05505	1.5
69.07066	8.2
69.48063	1.2
69.48429	3.1
71.08617	0.9
79.05517	1.2
81.07053	3.3
83.04974	0.8
83.08634	0.8
85.06532	1.5
91.05457	1.1
93.07029	2.2
95.04975	1.1
95.08596	3.0
95.48350	0.7
97.06534	1.4
99.08056	1.0
101.09646	2.3
105.07045	1.7
107.08614	2.4
109.06521	2.6
109.10167	0.9
109.81154	0.7
111.04431	0.9
118.97704	0.7
119.08587	1.5
121.10144	1.0
121.49374	0.6
123.08062	3.3
125.05997	0.8
133.10141	1.0
135.08073	1.6
135.11653	1.3
137.05957	1.1
147.11638	0.9
151.07506	1.8
152.08318	1.6
165.09097	7.6
169.23531	0.7
176.72711	0.7
179.10724	1.3
189.06964	1.3
190.07716	0.9
202.07779	2.8
203.08553	1.8
205.06540	2.0
207.08089	0.8
208.14612	1.2
217.06511	1.4
218.07214	3.1
219.08058	7.2
220.08806	3.6
221.05890	1.0
221.15442	1.7
230.07141	1.6
231.07945	1.5
232.08737	3.5
233.05942	2.9
233.09502	1.2
235.07526	1.2
236.08229	1.0
245.05963	3.0
246.06691	7.3
247.07513	12.6
248.08266	5.3
249.05370	1.2
249.09102	1.0
249.18492	1.1
251.10684	1.7
258.06766	1.4
259.07391	1.7
260.04736	1.0
260.08307	6.9
261.05566	2.1
261.09012	3.6
262.09915	1.9
263.07004	2.2
263.10629	8.0
263.19952	0.8
264.07690	1.3
267.18622	0.7
274.06204	1.9
275.07034	16.0
276.07782	8.5
277.08545	3.5
278.09348	1.4
279.10162	2.4
282.88568	0.7
289.08533	10.0
290.05896	0.9
290.09265	1.7
291.06766	1.8
291.10062	12.5
292.07394	1.4
292.10474	1.4
293.11685	1.3
303.06509	17.6
304.07224	3.8
305.07925	1.9
305.24731	2.5
306.08646	1.4
307.09601	5.6
317.08096	0.9
319.06091	0.9
319.09454	3.5
319.26373	3.0
320.06778	1.4
320.10406	1.6
321.11179	25.0
322.11557	2.2
333.07559	3.2
335.09119	13.8
336.08969	0.9
347.09192	3.5
347.25790	29.5
348.26117	2.0
365.10181	100.0
365.20026	2.1
365.26849	56.8
366.10550	11.6
366.27060	4.3
387.10599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
56.12898	0.7
57.07061	2.8
60.59498	0.7
61.67517	0.6
66.14436	0.7
67.05505	1.5
69.07066	8.2
69.48063	1.2
69.48429	3.1
71.08617	0.9
79.05517	1.2
81.07053	3.3
83.04974	0.8
83.08634	0.8
85.06532	1.5
91.05457	1.1
93.07029	2.2
95.04975	1.1
95.08596	3.0
95.48350	0.7
97.06534	1.4
99.08056	1.0
101.09646	2.3
105.07045	1.7
107.08614	2.4
109.06521	2.6
109.10167	0.9
109.81154	0.7
111.04431	0.9
118.97704	0.7
119.08587	1.5
121.10144	1.0
121.49374	0.6
123.08062	3.3
125.05997	0.8
133.10141	1.0
135.08073	1.6
135.11653	1.3
137.05957	1.1
147.11638	0.9
151.07506	1.8
152.08318	1.6
165.09097	7.6
169.23531	0.7
176.72711	0.7
179.10724	1.3
189.06964	1.3
190.07716	0.9
202.07779	2.8
203.08553	1.8
205.06540	2.0
207.08089	0.8
208.14612	1.2
217.06511	1.4
218.07214	3.1
219.08058	7.2
220.08806	3.6
221.05890	1.0
221.15442	1.7
230.07141	1.6
231.07945	1.5
232.08737	3.5
233.05942	2.9
233.09502	1.2
235.07526	1.2
236.08229	1.0
245.05963	3.0
246.06691	7.3
247.07513	12.6
248.08266	5.3
249.05370	1.2
249.09102	1.0
249.18492	1.1
251.10684	1.7
258.06766	1.4
259.07391	1.7
260.04736	1.0
260.08307	6.9
261.05566	2.1
261.09012	3.6
262.09915	1.9
263.07004	2.2
263.10629	8.0
263.19952	0.8
264.07690	1.3
267.18622	0.7
274.06204	1.9
275.07034	16.0
276.07782	8.5
277.08545	3.5
278.09348	1.4
279.10162	2.4
282.88568	0.7
289.08533	10.0
290.05896	0.9
290.09265	1.7
291.06766	1.8
291.10062	12.5
292.07394	1.4
292.10474	1.4
293.11685	1.3
303.06509	17.6
304.07224	3.8
305.07925	1.9
305.24731	2.5
306.08646	1.4
307.09601	5.6
317.08096	0.9
319.06091	0.9
319.09454	3.5
319.26373	3.0
320.06778	1.4
320.10406	1.6
321.11179	25.0
322.11557	2.2
333.07559	3.2
335.09119	13.8
336.08969	0.9
347.09192	3.5
347.25790	29.5
348.26117	2.0
365.10181	100.0
365.20026	2.1
365.26849	56.8
366.10550	11.6
366.27060	4.3
387.10599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36010	0.3
56.31804	0.3
58.72512	0.3
68.13341	0.3
68.14495	0.3
69.97439	0.7
71.22157	0.3
79.05508	0.4
81.07040	0.6
86.02273	0.3
93.06985	0.4
95.04961	0.4
95.08625	0.4
98.22901	0.4
105.07030	0.4
107.08611	0.6
109.06498	0.4
119.08588	0.4
149.02347	0.9
151.75006	0.4
195.09909	0.6
196.72978	0.4
205.08357	0.8
239.12672	0.5
261.08929	0.4
263.06995	0.7
291.06393	0.7
291.10266	0.5
292.06250	0.5
295.15240	0.4
305.07071	0.7
320.05798	0.6
321.11264	0.7
334.08337	1.0
335.08957	0.5
347.22000	0.6
365.10239	5.1
365.22980	100.0
366.10468	0.4
366.23401	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44242	0.5
55.05514	1.3
56.13480	0.6
59.30065	0.6
67.05508	0.7
69.07063	1.5
69.29620	0.6
70.06590	0.9
72.79111	0.8
79.05511	1.1
81.07049	1.4
83.04960	0.7
85.89185	0.7
91.05487	1.8
95.08623	0.7
98.23268	0.7
105.07011	0.8
107.08604	0.9
109.10152	0.7
121.10126	1.0
128.28673	0.6
132.10245	0.7
140.98586	0.7
145.10092	0.9
147.58536	0.6
160.07059	0.6
160.46091	0.6
202.07756	0.8
211.02705	2.5
219.03714	0.7
219.08105	1.8
220.08719	0.8
232.08920	0.7
233.05995	1.2
245.05986	1.0
246.06833	1.9
247.07590	2.7
248.08281	1.2
260.08252	1.2
263.07086	0.9
263.10733	1.1
264.07516	0.9
275.06955	3.1
276.07785	2.0
277.08725	0.8
278.09247	0.6
279.10028	0.9
280.59760	0.7
289.08633	2.7
291.06738	1.5
291.10147	2.8
291.19467	1.4
292.10474	0.7
303.06503	4.4
303.19360	1.2
304.07355	0.9
306.24222	0.7
307.06342	1.1
307.09720	2.3
321.08002	1.0
321.11243	5.8
325.16705	0.7
333.07455	1.7
334.08499	2.9
335.09109	3.3
337.07117	0.8
347.18350	0.9
350.07538	0.9
364.33228	4.0
365.10236	32.9
365.19431	4.4
365.23016	100.0
365.33075	2.9
366.10635	3.6
366.23270	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07397	0.6
50.70413	0.6
55.05498	2.6
56.96554	1.4
57.03431	1.1
57.07069	1.4
57.28946	0.6
58.07396	1.0
67.05489	2.6
69.03413	1.1
69.07069	3.8
69.11200	5.0
70.06585	3.5
71.06915	1.0
73.44896	0.7
79.05479	2.6
81.07047	3.0
83.08607	0.7
87.64024	0.7
88.07635	4.5
89.07966	1.3
91.05470	2.0
93.07041	2.2
95.04963	0.9
95.08600	1.8
97.02923	0.7
98.23452	1.3
99.36549	0.7
102.09168	2.8
103.09535	0.9
104.09883	0.6
105.07021	1.7
107.04893	1.2
107.08573	1.7
108.74073	0.7
109.10146	1.1
111.76997	0.7
117.06982	0.7
119.08542	1.1
121.10106	0.7
131.08600	1.5
133.10136	1.9
145.10150	0.8
159.11671	0.9
172.93694	0.8
176.06194	1.4
177.07074	3.4
186.96486	0.6
189.07004	0.7
193.06584	0.7
203.04875	0.9
205.06473	9.4
206.07008	0.8
216.40382	0.6
217.06531	1.2
218.07251	0.9
219.08115	1.4
220.05312	0.7
221.05934	2.3
223.07465	0.9
223.13306	2.2
231.04364	3.9
233.05969	10.5
234.06398	1.3
235.07524	2.7
240.04018	0.7
245.06018	0.9
246.06816	1.5
247.07481	3.4
248.08295	2.0
249.05478	2.3
251.07037	2.3
255.09084	3.4
256.26334	2.1
257.26724	4.2
258.26990	6.0
259.03839	1.2
259.27319	2.1
260.08295	2.0
261.05472	24.9
262.05960	1.8
262.09659	0.8
263.07004	2.6
263.10742	2.3
264.07632	0.7
273.10059	1.4
273.18417	1.8
275.07098	3.2
276.07739	1.9
277.05078	3.9
277.07889	0.9
279.06461	2.4
287.03357	1.5
289.04953	27.0
289.08447	2.4
290.05350	1.6
291.06433	2.0
291.10135	3.6
291.19577	5.8
293.07962	0.8
303.06555	3.2
305.04361	2.8
306.04965	0.7
307.05936	2.5
307.09387	1.4
317.04419	13.3
318.04944	1.2
319.06119	3.9
321.07681	1.3
321.11133	6.1
335.05496	20.3
335.09158	2.5
336.05853	2.5
337.06891	1.0
346.32513	0.8
347.05453	17.9
347.09589	1.2
348.05859	1.9
364.33206	12.8
365.06467	40.8
365.10327	21.0
365.16077	3.4
365.16989	3.0
365.22977	100.0
365.33078	10.2
366.06808	6.0
366.10651	2.3
366.23206	6.5
383.17590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40288	0.6
55.05509	1.6
57.03437	1.5
57.07072	1.4
60.19707	0.7
67.05503	2.7
69.07063	1.3
69.59651	2.8
70.06593	2.8
71.08628	0.8
79.05502	1.8
81.07053	2.2
84.08145	1.0
85.06515	1.0
88.41637	0.6
91.05463	0.8
93.07050	1.6
95.04978	1.9
95.08612	1.5
98.22787	1.4
105.07014	0.9
107.04922	1.0
107.08605	0.9
109.06522	1.1
109.10143	1.0
113.05998	2.0
119.08546	0.7
121.06424	0.9
123.08103	0.7
125.09592	0.8
126.05294	2.5
132.10219	1.2
133.10201	0.9
135.04387	0.7
135.08018	1.1
145.10118	0.8
197.29845	0.6
219.08138	0.9
223.13206	0.9
233.05893	0.7
240.23289	2.6
246.06783	1.0
247.02087	0.6
247.07527	1.6
248.08441	0.8
256.26407	0.9
258.27139	0.9
260.08444	1.0
261.05630	0.8
262.21466	2.4
263.10745	0.7
273.18546	0.9
274.06613	0.7
275.07101	2.2
276.07651	0.9
289.08508	0.7
291.06537	0.9
291.10364	0.7
291.19495	4.3
302.29517	4.8
303.06528	1.9
303.29968	0.8
305.08151	1.6
306.24405	0.7
307.27173	3.2
321.11252	2.9
335.09125	1.3
354.16364	0.6
364.33267	12.8
365.10388	11.3
365.23050	100.0
365.27643	9.4
365.33298	6.4
366.10519	1.6
366.23306	6.4
366.27505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01887	0.8
55.05505	2.5
57.07071	7.5
67.05505	2.7
69.07059	4.7
69.38347	1.8
69.38750	0.8
69.81728	0.5
71.08630	1.1
75.72077	0.5
79.05490	1.5
79.46781	0.5
81.07058	3.2
83.04975	0.9
83.08611	1.2
85.06538	4.6
91.05483	1.9
93.07040	2.8
95.08610	4.0
97.06503	1.0
101.09648	0.7
105.07026	1.6
107.08578	2.7
109.06481	2.7
109.10133	1.7
111.04431	2.3
111.08022	0.8
112.17246	0.5
119.08558	1.1
121.10146	1.2
123.08072	5.9
124.08883	0.8
125.05988	1.7
133.10127	0.8
135.08040	2.1
135.11676	1.6
137.05963	1.7
137.09610	0.9
139.07552	0.8
145.10133	0.8
145.57457	0.4
147.11658	0.7
149.09628	0.9
151.07524	4.6
152.08350	3.6
161.09598	0.7
163.11189	0.8
165.09096	13.9
165.12787	1.3
166.09700	1.2
177.09074	0.6
177.12779	0.6
178.09875	0.8
179.10648	2.2
179.14272	0.8
183.35681	0.5
193.12154	1.2
195.13692	0.9
202.07762	0.8
203.06714	0.5
203.08543	1.0
205.06467	0.7
205.15866	0.7
206.75578	0.5
208.14622	1.6
217.06464	0.6
218.07343	0.7
219.08047	1.4
219.13608	0.5
220.08742	1.0
221.15399	2.0
221.18964	0.8
230.07260	1.2
231.07928	0.9
232.08762	1.2
235.07515	0.8
235.17064	0.8
245.06010	1.3
246.06796	3.0
247.07510	4.0
248.08238	2.5
249.18492	1.2
259.07657	0.9
260.08231	2.6
261.05414	0.7
263.10794	3.3
263.20099	4.1
264.07837	0.6
264.11069	0.6
265.45770	0.5
275.07098	4.2
276.07791	3.0
277.08533	2.0
278.09314	0.8
279.10114	1.0
289.08624	2.8
290.09082	0.8
291.06967	0.6
291.10089	5.1
292.07364	0.6
303.06525	6.2
304.06815	1.4
305.07874	1.0
305.24704	4.3
306.24741	0.6
307.09607	2.4
319.09702	1.0
319.26358	5.0
320.26523	0.7
321.11169	10.4
322.11444	1.2
329.24698	0.6
330.25409	0.5
333.07651	1.0
335.09122	4.9
347.09106	1.5
347.25787	51.9
348.26001	4.2
365.10159	36.0
365.26831	100.0
366.10443	3.6
366.27213	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05516	1.1
57.07075	16.9
61.04517	0.3
62.92993	0.3
66.61739	0.3
67.05508	1.4
69.07065	1.4
69.60396	0.3
69.69361	1.2
71.04986	0.7
71.08640	0.3
78.09284	0.3
79.05497	1.1
81.07065	2.5
83.05007	0.4
83.08616	0.5
85.06046	0.6
85.06543	9.6
90.76598	0.4
91.05471	1.3
93.07040	2.1
95.04961	0.8
95.08608	2.2
97.06541	0.8
99.08080	0.3
100.83045	0.4
105.07027	1.1
107.08604	1.9
109.06524	3.9
109.10154	1.1
111.04433	0.3
111.08114	0.6
119.08587	1.6
121.06482	0.4
121.10136	0.9
123.08072	3.8
124.08870	0.8
129.06950	0.4
131.08548	0.7
133.10135	0.9
135.08041	3.7
135.11639	0.8
137.05966	0.7
143.08548	0.4
144.21461	0.3
145.10115	1.1
147.11681	0.6
149.09593	0.3
151.07570	2.2
152.08324	3.4
157.10147	1.0
159.11697	0.7
163.11128	0.4
165.09117	5.0
165.12733	0.5
166.09683	0.4
169.10175	0.4
171.11734	0.4
175.11145	0.4
177.09090	0.4
177.12723	0.8
179.10719	1.2
179.14276	0.6
181.10191	0.4
181.12202	0.4
187.14830	0.5
189.12625	0.4
191.14330	0.7
194.13022	2.3
195.11745	0.4
195.13730	0.6
202.07722	0.5
203.08632	0.5
205.06474	0.6
207.13808	0.8
209.13292	0.7
213.12674	0.4
217.06509	0.4
218.07271	0.9
219.08014	1.9
220.08742	0.7
230.07358	0.5
231.08124	0.6
232.08882	0.9
233.06023	0.8
235.07413	0.4
235.16998	0.5
245.06013	0.5
246.06709	1.9
247.07591	2.5
248.08315	1.6
249.18591	0.5
260.08258	1.5
261.09088	0.4
262.09821	0.7
263.07123	0.6
263.10724	1.9
263.20074	9.6
264.07721	0.4
264.20380	0.7
275.06906	3.3
276.07727	2.0
277.08453	0.8
278.09311	0.6
279.10287	0.4
279.19553	0.9
280.64874	0.3
281.21368	0.5
289.08533	1.8
290.09323	0.6
291.06854	0.6
291.10083	3.1
292.07391	0.4
293.11642	0.5
303.06461	4.7
304.06824	0.7
307.09671	2.0
319.09717	0.4
319.26425	1.1
320.06830	0.4
321.11206	6.0
322.11514	0.7
333.07388	0.8
335.09058	2.5
337.27426	0.6
347.09103	0.8
347.25839	23.9
348.26285	2.3
365.10217	25.1
365.26880	100.0
366.10516	3.2
366.27234	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76213	0.4
58.06592	0.9
64.20461	0.5
69.03414	1.6
70.06591	0.6
71.35495	0.5
75.97642	0.5
77.03927	0.8
79.05494	0.6
91.05493	2.6
93.07034	1.2
95.04964	1.7
103.05481	1.2
105.07067	0.9
107.04956	100.0
107.51506	0.5
108.05295	2.8
110.07126	0.9
115.05463	3.6
117.07018	1.2
119.04917	3.3
120.08140	1.8
121.06506	8.4
123.04445	10.1
131.04930	1.3
133.06488	3.2
135.04387	0.7
137.05975	1.8
143.04938	9.2
145.06488	8.2
146.47478	0.5
147.04420	1.9
148.05141	0.8
149.06021	2.6
150.09146	1.9
160.07477	0.7
161.05986	24.2
162.06406	0.6
163.06302	7.3
163.07550	1.1
164.07047	1.0
166.08705	0.9
177.07837	2.7
178.08635	19.6
179.08827	0.9
181.06461	0.5
191.08588	1.2
194.07266	1.5
197.09625	2.4
209.09610	2.9
219.08075	0.8
222.06889	0.7
225.09067	1.8
226.06261	1.3
227.07092	1.8
237.09077	4.2
240.07841	0.8
242.09331	1.6
243.10149	4.0
255.10167	23.8
256.10510	1.7
257.11798	1.0
285.13501	3.8
286.14380	92.5
287.14734	5.8
314.24915	0.6
317.58191	0.6
366.10077	96.9
367.10410	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01865	7.5
55.05497	3.9
57.03440	6.6
57.54597	2.5
61.02918	8.0
69.03429	36.1
69.20339	5.4
69.20733	10.2
71.04981	5.2
71.15475	2.4
73.02923	7.9
81.03418	27.6
85.02900	100.0
87.00305	1.7
87.00826	46.2
91.03959	3.0
97.02890	28.1
98.22669	5.7
99.04430	12.5
105.01865	74.7
108.04475	4.3
109.02879	32.1
117.01858	3.4
127.03916	73.1
129.01796	4.4
136.06175	48.3
143.53741	2.6
145.04961	47.5
151.07629	2.9
159.02879	15.1
186.58237	2.2
199.23549	2.9
209.11792	4.2
231.05022	25.7
249.06067	6.4
295.11795	8.3
342.10986	3.0
366.21201	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01866	2.2
55.05501	4.8
57.03436	4.8
61.02947	2.6
69.03069	3.0
69.03427	48.2
69.07078	1.8
69.45364	7.7
70.44522	1.6
71.01346	2.3
71.04993	10.6
81.02966	2.1
81.03418	27.7
81.07056	2.8
83.01339	2.6
83.08620	2.4
85.02904	55.9
87.00826	35.3
87.04469	5.0
88.78583	1.5
91.05463	2.2
95.13544	1.8
97.02892	68.6
98.03207	2.3
99.04459	23.7
101.02379	2.1
105.01862	26.6
109.02878	12.6
109.10147	3.7
115.03943	2.9
127.03911	100.0
128.04236	1.8
132.64888	1.6
136.06183	20.4
137.04616	1.7
145.04955	74.2
151.11214	1.8
171.02861	1.7
185.72502	1.9
213.03944	2.1
230.15401	2.3
231.04991	59.9
231.40445	1.5
232.05228	3.1
249.06024	25.2
366.22275	10.7
367.08078	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.01869	5.3
55.05499	2.4
57.03439	6.0
60.04528	3.8
61.02919	5.8
67.05521	1.8
69.03428	34.2
69.07086	1.9
69.39733	1.1
70.03764	1.3
71.04990	5.3
73.02919	6.1
79.05494	2.1
81.03415	18.5
81.07051	3.2
81.28780	1.4
83.04944	1.4
83.08621	1.9
85.02901	100.0
86.03220	1.8
86.09703	17.8
87.00825	49.1
87.05587	3.5
91.03947	2.0
91.05524	2.2
93.07008	1.9
94.79504	1.1
97.02890	30.3
98.03233	1.4
99.04447	12.6
105.01862	98.0
107.08601	2.4
108.04469	2.1
109.02876	31.3
109.10163	3.1
111.08112	1.5
117.01873	2.4
120.08106	4.0
126.05499	1.7
127.03912	73.2
128.04257	1.7
128.10724	2.7
129.01846	3.2
132.01161	2.2
133.10133	5.4
136.06194	3.5
136.07654	1.5
137.04582	2.9
142.03192	2.1
145.04953	34.8
145.06084	2.3
145.10078	1.8
147.02904	1.7
151.11160	6.3
159.02881	10.1
166.08635	2.0
169.12236	9.1
171.13879	1.5
173.12845	25.8
177.03839	1.4
187.13228	1.2
189.03905	3.9
190.21051	1.3
201.12352	7.2
209.11867	1.2
213.03941	4.0
218.08080	2.9
222.02928	1.4
231.04979	28.8
236.08990	1.3
249.06052	13.9
253.15092	1.5
303.07391	1.4
331.13882	1.3
348.22012	1.5
366.10706	3.4
366.15164	1.5
366.23401	6.0
366.27496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
55.05497	0.9
57.03414	0.5
67.05486	1.5
69.03429	2.3
69.07056	0.6
71.04978	0.8
79.05478	1.0
81.03400	1.1
81.07066	2.0
83.04976	0.5
83.08615	0.7
85.02897	4.1
85.06573	0.5
87.00820	1.3
87.04452	1.5
91.05470	1.2
93.07045	1.7
94.04044	0.3
95.04947	0.7
95.08595	1.3
97.02896	1.6
97.78883	0.3
99.04438	0.8
105.01856	2.1
105.07022	0.8
107.08582	0.9
109.02872	1.2
109.10163	1.0
111.08078	10.3
112.08397	0.4
117.06998	0.4
118.06529	0.4
119.03550	1.4
119.08604	0.7
121.06512	0.6
121.10102	0.4
123.11707	1.0
125.09544	0.3
127.03931	2.8
131.08553	0.7
132.08083	0.4
133.10098	0.8
136.06177	100.0
137.04596	2.8
137.06566	2.8
145.04945	1.6
145.10127	0.5
149.13222	0.4
151.11180	0.9
152.05641	0.4
162.09102	0.4
169.12238	8.4
187.13239	0.9
188.14418	1.5
210.98839	0.3
216.13893	0.8
227.12933	0.4
230.15384	0.5
231.04984	0.9
244.13345	2.9
245.13763	0.7
249.06030	0.5
249.90565	0.3
262.06223	0.5
262.14368	3.1
278.05777	0.4
280.15549	1.0
292.19037	0.4
296.84518	0.3
304.18506	0.3
306.05206	0.4
322.11609	0.4
323.09476	0.3
330.19238	1.7
336.09610	0.4
348.20358	11.2
349.20645	0.8
366.11066	1.8
366.21466	31.1
367.07794	1.6
367.21692	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.3
55.05502	4.9
57.03438	3.8
59.04995	21.9
67.05495	9.2
69.03419	5.6
69.07050	3.3
69.33197	5.9
69.33601	5.7
70.46658	2.0
71.04986	6.5
74.68822	1.9
79.05493	6.6
81.03416	2.8
81.07050	39.9
83.04974	2.6
83.08598	3.4
85.02895	9.5
85.06553	7.1
87.04469	16.9
91.05489	13.8
93.07041	95.7
94.07374	4.1
95.04963	8.5
95.08586	6.6
97.02885	4.7
105.04512	2.7
105.07021	25.5
107.08588	11.6
109.06513	5.5
109.10165	21.8
111.08073	82.7
111.24732	2.3
120.08099	3.7
121.06541	3.6
121.10150	12.6
123.11704	22.0
133.10139	23.4
136.06186	7.8
151.11176	44.7
166.93434	2.2
169.12239	100.0
170.12622	2.9
187.13286	63.5
207.11244	3.2
237.43199	2.2
247.72226	2.3
253.15123	3.0
276.07364	2.6
278.00455	2.2
307.10165	5.8
322.11481	2.8
366.10318	4.2
366.23364	7.7
367.12537	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
57.03447	0.4
62.42813	0.3
67.05497	1.1
69.03426	0.5
69.07075	0.4
69.62859	0.8
70.06580	0.7
71.04987	0.3
72.02791	0.2
72.08157	0.3
73.02826	0.3
73.03541	0.2
75.04426	0.3
79.05505	0.6
79.64342	0.2
81.03415	0.4
81.07046	1.1
83.04980	0.3
83.08601	0.9
85.02888	0.9
86.09692	0.5
87.00784	0.3
87.04464	0.6
91.05486	1.6
92.05007	4.0
93.05793	0.7
93.07034	1.0
94.06537	0.7
95.08602	0.8
97.02893	0.8
97.06519	0.3
97.10108	0.3
99.04456	0.5
105.01865	0.5
105.07034	0.4
106.06543	1.3
107.08590	0.9
108.08222	0.3
109.02834	0.3
109.06496	0.3
109.10160	1.6
111.04455	0.6
112.07579	0.4
115.01791	0.2
117.05720	1.3
118.06538	13.3
119.07285	1.2
120.08092	2.0
121.06520	0.3
121.08708	0.3
123.11718	0.9
127.03916	1.1
127.07475	0.2
130.06505	1.1
131.07295	0.5
131.08531	0.3
132.08096	1.3
133.08900	0.4
133.10127	0.7
134.09636	0.7
136.06197	0.8
136.07603	0.3
137.04590	0.7
141.75401	0.3
144.08072	0.3
145.05003	0.5
145.08878	0.3
146.09654	0.8
149.09616	0.4
151.11182	1.3
159.08000	0.3
160.11180	0.5
162.09142	11.6
163.09947	2.5
164.10774	0.6
169.12207	2.1
173.12891	0.9
176.10667	0.6
187.13301	0.5
202.15883	3.1
203.09019	0.4
207.11186	0.3
216.13869	1.0
230.15390	19.1
231.15764	1.1
244.13515	0.3
248.16492	0.6
262.14429	1.5
280.15530	1.2
292.19080	9.4
293.19437	0.7
304.06750	0.3
304.19028	0.4
322.20114	0.4
331.13809	0.3
346.30771	0.3
348.21811	0.3
366.22760	100.0
367.07996	0.4
367.23065	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0814
Annotation	Haplomyrtin
Peak:m/z	Relative Intensity
51.05191	0.3
55.05500	0.5
55.14494	0.4
56.96555	1.4
57.03431	0.4
60.78058	0.3
67.05491	0.4
74.38686	0.3
77.56277	0.3
77.64221	0.3
79.05495	0.8
81.07058	0.6
91.05450	0.4
93.07039	0.4
95.05012	0.4
97.06519	0.4
105.07008	0.4
107.08624	0.7
119.08561	0.5
121.10139	0.5
130.05188	0.3
131.08557	0.5
145.10080	0.4
163.05440	0.4
165.07047	0.8
169.29147	0.4
176.06247	0.3
177.07025	1.7
178.07811	0.6
179.08493	0.4
189.06999	0.8
192.05685	1.3
193.06517	0.8
194.07295	0.8
204.05743	0.4
205.06468	6.0
210.06728	0.4
217.06479	0.6
219.08005	0.6
220.05186	8.6
221.05920	2.1
222.06766	2.2
223.07550	0.4
224.04666	0.4
231.04431	1.3
232.05090	0.4
233.05972	8.7
234.06587	1.3
235.07516	10.2
236.04665	0.5
236.07962	0.4
237.09071	2.0
238.06219	0.9
239.07057	0.6
239.09431	0.6
245.05949	0.9
247.07442	0.8
248.04680	13.6
249.05382	2.0
250.06253	3.8
251.06844	0.6
251.22887	0.3
252.07924	0.4
253.08623	1.0
259.03922	1.1
261.05444	4.5
262.06122	1.3
263.07034	27.4
264.04913	0.4
264.07352	1.8
265.08643	4.6
266.05753	1.6
269.10629	0.6
275.07025	0.5
275.20102	0.8
276.04196	4.1
277.04871	1.5
278.05743	3.7
279.06390	1.4
280.07294	2.7
281.07944	1.8
281.14218	0.4
287.03479	0.6
289.04895	0.7
291.06503	28.9
292.06876	1.8
293.04657	0.6
293.08029	6.1
294.05060	0.7
294.08319	0.5
295.09668	3.6
303.06415	0.5
304.03625	1.4
305.04306	0.6
305.08008	0.8
306.05316	2.0
307.05814	1.0
309.07568	4.2
319.06006	24.9
320.06253	1.9
321.07605	4.2
322.04657	1.1
323.09149	5.6
337.07037	19.8
338.07401	1.8
339.08322	0.7
339.83801	0.4
349.07056	16.6
350.07446	1.2
366.19504	0.5
367.08109	100.0
367.17245	6.0
367.21228	2.2
368.08411	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Candidusin C
Peak:m/z	Relative Intensity
51.17480	0.5
55.05476	0.7
57.03394	1.1
63.55242	0.6
67.05437	2.4
69.07006	1.0
69.28455	2.2
75.04420	1.6
75.34118	0.5
79.05422	1.9
81.06981	2.0
83.08597	0.6
91.05400	1.8
93.07045	2.6
95.04913	0.7
95.08549	1.5
97.06477	0.8
97.10158	0.7
101.47997	0.5
105.07050	3.0
107.04866	0.5
107.08529	2.4
109.06486	0.5
109.10086	0.6
112.99950	1.2
117.06954	0.6
119.08488	1.6
121.10075	0.7
131.08533	0.7
133.10068	0.9
135.11646	1.3
145.10066	1.3
147.11664	0.9
149.09567	0.6
153.31151	0.5
159.11589	1.1
169.02583	0.8
172.05128	2.4
172.08328	0.5
185.13148	1.0
189.06964	2.5
191.08519	0.7
199.07397	0.8
202.07782	2.8
203.08545	3.3
205.06433	6.4
207.08026	0.8
214.07416	0.6
215.07005	1.1
217.06519	3.5
218.07283	3.3
219.08049	6.0
219.17366	1.6
220.08858	2.6
223.07178	0.8
229.08536	0.8
230.07248	0.9
230.09338	5.9
231.04517	0.6
231.07979	1.7
232.08804	10.1
233.05949	6.5
233.09398	1.4
234.06630	1.9
235.07559	2.3
237.08945	0.8
239.17944	0.6
245.05806	1.4
246.06680	2.9
247.07491	4.5
248.08316	27.5
249.05476	2.4
249.08932	4.2
250.06160	1.5
257.18918	1.1
259.07468	1.2
260.08279	7.5
261.05499	3.3
261.09024	7.1
262.06268	2.1
262.09805	2.6
263.07086	2.6
263.10654	17.4
264.07965	1.1
264.10776	0.9
265.08572	2.0
270.31784	0.5
274.06177	2.0
274.16891	0.6
275.07022	2.8
275.10062	0.5
275.20145	3.4
276.07803	22.2
277.05179	1.0
277.08438	5.3
278.05499	1.6
278.09308	1.7
279.06619	0.8
279.09964	1.0
289.08490	3.7
290.09317	2.2
291.10135	80.3
292.07291	29.8
292.10651	8.4
293.07877	4.9
294.05313	0.7
303.06439	1.5
304.07117	1.0
305.08109	2.4
306.08826	4.0
307.05936	1.4
307.09680	5.8
308.06870	0.7
308.10220	1.3
317.08066	9.1
318.08691	0.9
320.06818	14.7
321.07431	2.7
321.11069	0.9
322.12057	1.4
323.09076	2.7
323.12808	8.7
334.08423	0.8
335.09128	100.0
336.09631	13.3
337.10583	0.8
338.07538	0.7
349.10706	11.7
349.23801	1.9
350.11099	0.9
352.09460	1.5
366.23087	1.0
367.11783	32.9
367.20975	2.1
367.24512	1.2
367.28293	0.8
368.12292	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.5
56.96523	0.5
57.03389	0.7
67.05432	1.1
67.05775	0.5
69.07036	0.4
69.27196	0.7
69.27605	1.3
75.04408	2.2
79.05435	1.6
81.06983	1.1
81.47029	0.4
86.91478	0.4
91.05405	1.4
93.06985	1.1
95.08540	1.3
98.22987	1.8
105.06964	0.6
107.08521	1.4
112.42706	0.3
112.99977	0.7
119.08514	0.8
121.10069	0.6
135.11577	0.6
142.27577	0.4
143.41867	0.4
145.10081	0.6
162.92819	0.4
169.02562	1.1
172.05202	2.4
173.88586	0.5
177.06914	0.6
189.06950	1.6
190.07785	0.9
191.08467	0.6
192.09332	0.5
199.07584	0.7
201.06908	0.6
202.07794	2.8
203.08589	2.4
205.06438	4.4
206.07109	0.5
215.07016	1.0
216.05681	0.5
217.06427	3.2
218.07278	2.9
219.08032	5.1
219.17403	0.8
220.08791	2.8
221.05922	0.6
221.09433	0.5
222.06723	0.9
223.07387	0.4
229.08749	1.8
230.07320	0.7
230.09383	7.3
231.07968	2.9
232.06737	0.6
232.08838	8.5
233.05988	4.8
233.09442	0.9
234.06746	1.0
235.07497	1.7
235.11070	0.4
236.08128	0.4
237.08940	0.7
237.39665	0.4
244.05022	0.5
245.05952	1.7
245.09760	0.5
246.06691	2.2
247.07524	3.8
248.08316	21.3
249.05536	2.7
249.08968	3.6
250.06250	0.8
251.06944	0.8
255.15799	1.2
259.07593	1.1
260.08310	6.2
261.05838	2.8
261.09097	5.8
262.06198	1.7
262.09824	2.4
263.07031	3.0
263.10632	15.3
264.07758	1.2
264.11017	1.3
265.08475	1.4
266.09320	0.5
273.09448	0.4
274.06195	1.3
275.06937	1.5
275.10318	0.4
275.20047	1.0
276.07813	20.7
277.04913	1.7
277.08456	4.1
278.05823	0.6
278.09259	0.9
279.06439	1.1
279.10065	1.8
285.36191	0.5
289.08548	3.7
290.05908	0.7
290.09323	2.5
291.10135	78.2
292.07263	24.3
292.10626	8.2
293.07864	3.8
294.05170	0.8
303.06320	2.0
304.07098	1.2
305.04785	0.6
305.07874	1.9
306.08804	3.7
307.09653	5.5
308.10352	1.8
309.07547	1.0
317.08066	8.7
318.08591	1.2
319.06027	0.6
320.06805	14.3
321.07394	2.9
321.11270	1.3
322.08591	0.7
322.12030	1.7
323.09076	0.8
323.12775	10.1
324.13297	0.8
334.08249	1.1
335.09125	100.0
336.09686	14.0
337.10568	1.1
349.10712	10.8
349.16714	0.5
349.23663	0.7
350.11133	0.9
351.83032	0.4
352.09424	3.0
367.11780	35.9
367.21155	3.3
367.24472	1.2
367.28131	0.6
368.12125	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43751	1.6
67.05495	2.0
69.25281	1.7
69.61967	7.5
83.08592	2.0
85.02890	1.9
87.35099	1.8
93.07047	2.3
98.23344	4.1
113.26750	1.8
120.08112	2.1
122.06017	3.6
124.07526	2.3
136.07581	2.9
144.08049	3.3
158.09775	2.5
160.07567	3.6
164.07028	2.4
171.10133	3.4
172.07538	9.6
173.10776	3.4
174.09201	3.2
175.08780	2.7
184.07594	13.1
186.09160	7.2
187.08713	2.3
187.12216	1.7
189.10262	5.2
192.14682	1.8
198.09155	9.8
199.08629	2.9
200.07079	18.1
200.09363	2.8
201.10204	18.3
211.08644	7.4
212.07092	5.0
212.09300	2.1
215.11821	9.9
217.09702	12.4
226.08664	5.1
227.08144	7.2
228.06624	4.6
229.09714	57.0
229.12025	2.8
230.10109	3.0
239.08145	2.1
243.07622	2.9
243.11250	22.7
245.09200	60.2
246.09756	2.3
253.09715	14.7
257.09183	11.3
258.09866	2.3
259.10712	9.6
271.10754	100.0
272.11118	5.2
281.09180	32.5
287.10263	56.8
288.10358	2.2
289.11719	11.0
299.10239	48.0
300.10526	3.1
304.10587	2.0
305.11298	27.8
317.11313	43.6
318.11603	3.5
331.12906	4.1
335.12369	69.3
367.13898	2.9
367.19614	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74233	1.2
56.96562	23.4
68.71396	1.4
71.95229	2.2
72.96035	1.2
79.05452	3.5
81.07033	6.1
85.32430	1.2
93.07040	1.5
98.22645	3.4
110.97521	4.4
114.67728	1.2
115.97824	1.6
128.98560	4.8
132.54123	1.3
146.99600	1.9
152.29399	1.2
167.03810	1.8
170.88498	1.4
181.96423	1.3
197.04753	1.3
199.06316	4.1
205.07318	2.4
211.06393	1.8
212.96231	1.4
213.08037	11.4
217.07320	4.3
225.07860	4.1
229.07472	8.3
231.09007	10.3
237.04218	2.1
237.07925	1.7
239.09422	4.4
241.11009	5.7
243.08876	4.4
247.08427	3.0
251.09518	8.8
253.10977	1.6
255.09135	6.3
257.10464	2.5
258.07803	1.4
259.11942	4.5
269.10596	32.3
273.10025	2.2
279.08957	2.7
280.09567	2.3
287.11658	12.4
292.12137	1.7
297.09836	2.5
315.10840	1.9
331.15726	6.8
349.16632	10.4
367.17639	100.0
368.18011	6.8
385.18939	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.9
56.96561	18.9
67.05505	11.2
69.07048	7.2
69.29966	19.8
77.86491	3.7
79.05493	11.9
81.07053	13.5
85.06547	4.2
88.12117	3.5
90.94559	3.2
91.05474	8.6
93.07049	10.4
94.45039	3.5
95.08604	5.4
97.42590	3.1
97.46342	3.1
98.22608	5.8
100.11220	7.5
105.07037	8.3
107.08573	9.1
109.02946	3.7
109.10136	4.9
109.32765	3.6
110.97553	3.3
111.04463	4.0
114.61422	3.8
115.98866	3.8
119.08565	8.2
121.10182	5.7
131.08571	4.9
133.10089	4.1
135.04436	4.3
144.08020	3.9
145.10114	3.6
147.11662	4.9
159.11703	3.8
163.11211	4.5
167.53947	3.6
169.01797	4.0
182.15366	6.3
196.13213	4.3
210.14912	8.2
213.07968	4.6
229.07483	9.2
239.09645	4.7
241.11206	3.9
247.08662	7.2
256.31320	3.8
259.12241	3.7
269.10580	7.6
275.19971	10.8
278.09338	5.2
281.08038	5.3
281.14200	4.7
291.12561	5.7
309.14001	4.0
320.06705	6.2
321.07565	8.8
331.15637	5.8
335.09122	23.0
336.09818	7.2
337.10699	9.4
339.08762	4.5
349.16489	8.3
349.23593	6.3
350.23050	4.9
367.07968	12.9
367.11618	13.3
367.17557	49.0
367.20920	100.0
368.17932	8.0
385.19073	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62646	3.6
55.01886	3.2
55.05489	4.6
56.96566	17.9
57.03429	6.9
67.05502	18.0
69.03958	3.5
69.07057	9.2
69.79369	12.0
79.05494	21.6
81.07055	21.4
83.04961	4.4
83.08626	9.1
91.05466	14.7
93.07028	13.9
95.04948	6.0
95.08588	12.4
99.08094	3.5
105.07036	12.5
107.08582	13.1
109.06536	4.8
109.10145	6.4
113.00030	4.6
117.07053	4.3
117.15968	3.8
119.08567	9.7
121.10146	6.9
131.08566	4.8
133.10121	4.1
135.07915	3.3
145.10069	6.7
147.11650	4.9
149.09618	5.7
149.13297	3.9
152.69084	3.1
155.03799	4.8
159.11589	6.5
173.13321	4.2
189.11099	4.0
199.06320	6.0
219.17480	16.6
225.08073	4.2
229.07516	5.0
239.09573	4.5
255.08994	60.6
255.15842	4.6
257.18930	7.3
273.10052	29.4
275.20035	16.2
278.10532	4.9
281.08041	3.5
291.09940	4.4
293.21082	7.4
307.09543	4.8
321.07770	5.9
331.15836	6.0
335.09192	5.2
336.09671	5.0
349.16898	38.6
349.23672	6.8
350.23615	3.9
367.07877	39.5
367.11713	7.1
367.17615	100.0
367.28256	9.9
368.18384	9.8
368.24362	4.9
385.19022	25.2
390.19437	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
53.54632	2.0
55.01871	21.9
55.05508	28.2
57.03432	13.5
57.07070	2.3
59.05008	3.0
61.36803	1.8
65.03935	3.9
66.37160	1.8
67.05502	48.8
69.03423	5.8
69.07069	29.3
69.50088	7.4
71.04996	5.1
71.08605	2.3
75.04514	1.9
77.03915	2.2
79.05490	51.4
79.43823	2.4
81.03403	3.2
81.07056	91.7
81.13712	2.2
83.04977	10.6
83.08627	12.8
84.54955	2.0
85.06554	5.4
91.05481	46.7
92.05701	1.7
93.07037	39.5
93.07924	3.0
95.04981	15.5
95.08608	40.9
97.06528	26.1
97.10168	5.4
99.08108	5.8
103.05461	2.1
105.04547	2.4
105.07022	53.4
107.04957	12.9
107.07919	4.0
107.08588	37.2
107.09256	2.9
109.06510	14.8
109.10157	19.9
109.45863	2.0
111.08091	8.0
115.05566	1.8
117.07024	16.7
119.08582	38.8
120.23763	2.1
121.06525	8.1
121.10143	20.3
123.08069	7.7
123.11725	9.1
125.09622	7.4
129.07016	6.5
131.08569	23.7
133.06506	2.6
133.10129	31.2
134.10454	2.0
135.04396	6.1
135.08031	9.7
135.11748	11.7
137.09637	5.2
143.08571	4.3
145.06439	2.9
145.10097	22.8
147.11697	21.4
149.09605	19.5
149.13263	8.7
151.11205	6.7
155.07249	2.0
155.08487	3.4
157.10149	6.4
159.11711	16.7
161.09567	3.4
161.13277	7.7
163.11224	12.0
165.12747	7.3
171.10217	3.0
171.11717	5.0
173.09628	2.6
173.13293	8.4
175.11235	4.0
175.14792	2.3
177.12775	4.0
179.14330	2.2
183.11688	4.6
185.05974	12.3
185.13255	2.4
189.11172	4.6
192.41214	1.9
197.13278	4.4
199.03922	2.3
201.12801	3.2
205.06592	2.7
207.13989	1.9
210.06718	3.2
220.05309	1.9
227.12723	4.4
229.05002	2.1
229.07545	1.8
229.19612	4.6
234.06523	2.4
237.05379	3.8
238.05986	2.5
239.18076	6.2
247.20557	7.1
251.20053	2.9
253.08598	2.4
257.18918	18.3
262.05878	2.7
263.06247	6.9
265.04950	8.5
266.05740	2.2
269.17410	5.4
275.20059	100.0
276.20422	6.6
281.04715	4.4
281.08060	13.4
282.08469	2.2
291.05811	4.5
293.04343	6.3
293.21088	8.3
294.04916	2.7
307.06049	2.8
308.06653	15.5
309.04071	3.1
309.07483	26.3
310.07971	4.0
319.04980	6.2
324.06146	4.3
335.05453	4.8
337.06937	17.2
339.08649	24.6
349.06119	3.6
349.23734	36.5
350.24173	3.3
367.07751	46.4
367.12228	4.8
367.17667	4.3
367.24780	47.7
368.08478	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13394	1.8
53.03922	4.1
55.01871	20.0
55.05514	27.0
57.03434	9.6
57.07069	2.7
61.44873	1.7
65.03931	4.4
67.05506	58.7
69.03421	8.0
69.07068	30.4
69.46381	6.2
71.04988	5.2
71.08628	2.5
79.05050	4.0
79.05491	57.6
80.05837	1.9
81.03404	5.7
81.07056	86.9
82.07375	2.4
83.04978	10.8
83.08624	14.7
85.06528	5.0
91.05479	50.5
92.94691	1.9
93.07041	46.8
94.07389	2.6
95.04963	16.2
95.08608	43.6
97.06530	27.7
97.10152	7.4
98.06822	2.0
98.81948	1.7
99.08083	6.0
105.06358	3.0
105.07034	50.4
106.56731	2.3
107.04952	15.5
107.08596	36.3
109.06506	11.4
109.10155	20.5
111.08063	7.4
117.07052	16.9
119.08572	39.8
121.06490	7.8
121.10146	18.4
123.08055	8.4
123.11724	11.3
125.09636	6.5
129.06992	5.5
131.08580	21.9
133.09184	2.4
133.10139	34.9
135.04378	2.0
135.08061	10.6
135.11710	11.7
137.09590	8.3
143.08545	2.7
145.06503	2.3
145.10126	25.2
147.08229	2.0
147.11687	24.9
149.09622	27.4
149.13234	5.2
151.11188	4.2
155.08559	3.8
157.10124	8.7
159.11676	17.6
161.09544	2.5
161.13281	7.0
163.11218	15.5
165.06990	2.1
165.12785	4.6
169.10143	4.3
171.10333	2.1
171.11668	6.1
173.09692	2.1
173.13211	9.2
175.11160	3.9
175.14796	3.6
177.12753	6.7
179.10722	1.9
179.14336	3.5
183.11684	3.7
185.04564	2.0
185.05919	10.5
185.13333	3.2
187.11194	3.6
189.11195	3.7
193.12192	3.9
197.13287	4.8
199.03908	3.1
205.06425	4.0
207.07120	2.4
215.17961	2.2
219.17386	4.2
227.12727	4.1
229.04979	4.3
229.19432	5.2
233.06030	3.3
234.06361	2.0
235.06516	5.1
237.05493	3.2
239.17915	7.5
245.13773	2.6
247.20544	6.7
250.06067	2.3
257.18948	15.9
261.05365	4.3
262.06006	3.1
263.06171	6.2
265.04947	6.6
265.07620	2.2
266.05911	2.5
269.17447	6.7
275.20065	100.0
276.20291	5.3
281.07898	8.0
289.04794	3.7
291.05563	11.8
293.04330	3.9
293.07233	3.5
293.21164	11.8
294.05188	1.8
308.06845	10.1
309.07474	20.2
310.08136	3.2
319.05032	11.9
321.06702	3.7
323.08478	2.6
335.05432	3.4
336.06213	3.5
337.06528	18.3
338.07480	3.0
339.08572	21.7
345.68048	1.9
349.05939	6.1
349.23730	39.9
350.23779	2.4
367.07422	63.1
367.17810	2.2
367.24698	52.6
368.07965	5.5
368.25009	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01876	20.1
55.05511	65.5
57.03428	7.4
59.05023	3.0
65.03889	4.6
67.05499	61.0
69.03438	4.4
69.07054	11.8
71.04993	4.8
79.05486	100.0
80.05840	3.4
81.07056	43.7
83.04975	33.0
83.08607	13.1
85.06539	4.8
91.05471	50.6
93.07041	49.4
95.04955	13.8
95.08599	23.6
97.06532	12.1
97.10168	28.6
105.07026	53.4
105.51157	3.6
107.04949	40.2
107.08595	77.7
109.06513	4.7
109.10149	23.8
111.08103	6.1
114.02653	3.5
115.05418	3.1
117.07012	14.9
119.08575	38.5
121.06507	5.6
121.10131	25.3
123.08034	4.1
123.11692	8.1
125.09607	32.0
131.08549	20.1
133.10144	27.2
135.04324	3.3
135.08109	8.2
135.11656	6.1
143.08554	3.7
144.50803	3.3
145.10110	19.0
147.11674	22.0
149.09615	74.9
149.13179	4.9
157.10158	3.5
159.11679	12.8
161.13246	7.8
163.11102	3.2
163.14781	3.8
166.79118	3.3
167.10658	4.3
169.12250	8.0
171.10181	3.8
173.11781	6.7
173.13147	6.8
183.54604	3.4
187.11195	4.4
187.13304	4.8
189.11206	22.1
191.14351	5.1
197.13150	5.0
209.15421	11.7
227.12729	6.9
229.19466	10.2
245.13823	5.2
247.20444	5.5
257.19000	16.9
275.20026	96.3
276.20462	6.3
286.55219	3.9
293.21295	5.7
323.11697	5.5
337.09302	4.1
349.23718	84.4
350.24298	7.0
367.10828	25.2
367.24716	4.9
368.31290	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	5.9
55.05511	18.3
57.03443	14.9
59.04999	1.8
65.03912	1.4
66.14392	1.0
67.05503	25.7
69.03416	3.2
69.07067	20.8
70.30476	1.0
70.70910	2.4
71.08630	24.7
79.05492	23.4
81.07056	24.9
83.04973	4.5
83.08613	8.3
85.06549	4.4
89.82200	1.1
91.05474	25.1
93.07047	21.9
95.04971	6.4
95.08607	16.6
96.08907	1.5
97.06524	3.6
97.10155	7.0
99.04457	4.0
99.08078	14.0
105.04522	1.5
105.07025	19.6
107.04945	4.8
107.08590	14.0
109.06505	4.6
109.10174	7.6
111.04423	1.1
111.08067	2.5
117.06998	12.3
119.08566	14.9
121.06516	3.0
121.10138	8.1
123.08077	2.6
125.09615	3.5
129.07030	2.7
131.07089	2.0
131.08580	13.0
133.10117	9.1
134.46352	1.1
135.04358	1.0
135.08029	2.9
135.11699	5.7
137.09647	2.2
143.08571	3.1
145.10104	7.3
147.11696	5.0
149.09676	3.1
149.13261	2.9
151.11214	2.7
153.12622	1.4
159.11700	5.1
161.13159	1.6
163.11134	2.1
163.14893	1.5
165.12675	1.6
167.10722	2.8
171.11739	1.6
173.13261	2.8
177.12724	3.9
185.13251	3.2
189.11244	3.3
196.50497	1.2
201.16324	3.6
203.14305	4.2
204.82074	1.2
219.17435	74.8
220.17798	5.0
225.70422	1.1
247.20314	1.2
257.19080	3.0
275.20074	17.1
293.21094	100.0
294.21371	7.9
323.11813	2.1
349.23721	17.4
349.51364	1.2
350.27026	2.3
367.10919	9.5
367.24771	48.4
368.25171	4.2
368.31326	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23059	2.6
51.02375	2.9
55.05514	24.2
57.03446	3.6
57.07087	15.4
57.09053	3.2
57.60622	3.1
67.05508	44.3
69.03426	9.3
69.07067	34.8
69.53352	2.7
69.59595	12.5
71.04994	9.5
71.08630	8.3
79.05485	31.5
81.07056	57.5
83.04977	12.6
83.08620	11.6
85.06536	5.2
91.05484	61.3
93.07049	79.9
95.04976	41.0
95.08604	59.3
97.06540	19.2
98.22733	4.9
99.08096	7.6
105.04535	5.3
105.07026	89.6
107.08591	66.3
109.06534	20.0
109.10165	43.0
111.08110	7.1
116.06233	5.0
117.07034	26.0
119.08578	100.0
121.06517	9.4
121.10146	62.4
123.08067	26.4
123.11688	18.5
128.06250	9.5
129.07010	13.7
130.07780	10.7
131.08566	59.5
133.10124	61.2
134.10635	2.8
135.08049	23.6
135.11676	27.5
137.09639	9.9
137.45456	3.1
141.06973	6.2
142.07805	22.8
143.08559	40.1
144.09312	10.8
145.06503	4.4
145.10136	70.4
146.07346	5.4
146.11023	3.9
147.08063	11.8
147.11697	22.1
149.09612	25.4
149.13313	4.8
155.08566	12.4
156.09300	11.8
157.10126	56.2
158.10912	4.8
159.08058	6.3
159.11678	40.8
161.09610	51.4
161.13249	8.1
163.11139	7.5
163.14885	3.5
167.08542	9.0
168.09445	5.3
169.10139	19.7
170.10962	3.6
171.11737	29.3
173.09578	6.0
173.13252	28.9
175.11214	10.8
175.14818	25.5
179.08591	12.4
179.14299	42.1
181.10172	14.1
182.10948	8.9
183.11687	24.2
184.12355	4.7
185.09683	6.8
185.13228	19.2
187.11223	5.5
187.14749	16.3
191.14165	3.8
194.10927	6.7
195.11690	11.3
197.13229	19.2
199.14796	17.2
200.15430	4.4
201.12692	3.7
201.16446	5.6
209.13286	23.4
210.13979	4.6
211.11081	3.1
211.14774	16.0
213.12727	5.9
221.13283	4.9
223.14864	6.1
227.14331	26.1
235.14813	4.0
239.17924	9.6
244.49969	3.3
251.17879	6.5
253.19499	6.2
255.17418	8.0
265.19556	4.5
267.17545	5.5
269.19019	5.6
283.20575	3.8
293.21307	16.3
303.26785	5.6
319.28629	4.2
331.26257	11.4
349.27701	49.1
367.11044	6.8
367.26425	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03960	1.3
55.05515	16.3
55.80858	1.1
57.07079	8.4
66.96674	1.2
67.05513	19.3
69.03439	2.7
69.07072	21.9
71.08640	7.6
71.12016	1.2
77.03874	1.3
78.35904	1.1
79.05487	9.7
81.07063	25.8
81.07507	2.6
83.04984	4.0
83.08630	11.2
84.18402	1.2
85.06537	3.8
85.10187	10.0
91.05496	8.2
91.11268	1.2
93.07054	13.2
95.04973	6.4
95.08614	25.0
97.06528	4.7
97.10178	3.4
98.23375	1.7
99.08082	7.0
105.07032	14.8
107.08597	11.5
109.06528	22.3
109.10162	12.4
111.08080	4.1
113.09658	11.1
119.08585	15.4
121.06519	4.9
121.10149	8.0
123.08086	10.8
123.11708	4.9
131.08578	4.3
133.10133	11.0
135.08052	6.7
135.11688	5.5
137.09660	2.0
137.13231	2.2
139.07597	1.4
143.84769	1.2
145.10138	5.1
147.11699	4.7
149.09642	3.2
149.13269	2.8
153.12756	5.6
156.82007	1.3
159.11682	3.6
161.09631	1.8
161.13271	3.7
163.14923	1.7
165.12741	2.9
173.13329	1.7
175.14862	2.3
177.12773	2.5
179.14316	40.9
189.16406	2.8
191.14351	3.4
193.15855	1.3
201.16440	2.5
209.19067	8.7
219.17561	2.4
233.18869	1.5
242.09492	1.3
251.20026	3.6
261.18512	1.7
275.20142	1.5
279.19614	2.3
292.23367	1.3
293.21069	4.6
293.28397	3.5
303.26834	18.7
313.25281	2.2
321.27835	5.4
331.26318	66.6
332.26682	5.1
349.27396	100.0
350.27640	7.9
367.10818	7.2
367.28024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2843
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
54.42631	2.2
55.05510	13.1
57.07057	6.6
67.05500	20.2
69.03423	2.2
69.07070	20.6
69.32740	5.6
69.33150	6.5
71.08633	17.6
79.05491	13.7
81.07058	33.4
83.04965	3.2
83.08615	10.1
84.36559	2.2
85.06522	2.5
91.05473	8.6
93.07047	19.3
95.04957	9.7
95.08598	25.6
97.06524	3.9
98.06035	2.2
99.08078	8.3
105.07022	19.5
106.07335	2.0
107.08613	13.9
109.06513	28.5
109.10184	12.8
117.06995	2.3
119.08567	13.0
121.06504	6.9
121.10140	8.1
123.08086	16.8
123.11727	5.2
125.09627	3.3
131.08585	6.1
133.10115	10.6
135.08069	8.3
135.11708	4.4
137.09601	2.8
137.13293	2.1
145.10106	4.4
147.11687	8.3
149.09636	3.6
149.13229	6.9
159.11668	3.0
161.13246	5.8
163.11122	3.5
163.14732	2.6
165.12737	22.5
173.13287	2.6
175.14816	2.2
177.12686	5.1
177.58769	2.0
179.14272	13.1
209.19063	7.2
210.35136	2.2
251.20012	2.3
275.20264	2.5
275.23743	2.2
283.16867	2.5
289.25143	17.3
293.21094	5.0
303.26907	4.9
307.26382	2.6
317.24731	93.7
318.25082	6.7
321.27859	2.1
331.26294	16.6
335.16238	2.4
335.25745	8.0
349.27344	100.0
350.27661	7.0
367.10950	10.3
367.18552	7.1
367.28635	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
55.05522	16.5
57.03423	3.2
57.07088	9.3
58.45746	1.6
67.05508	27.1
69.03431	4.6
69.07069	27.4
69.41024	6.1
71.05000	2.6
71.08642	26.6
79.05499	12.9
81.07062	41.1
81.07507	3.4
83.04993	1.9
83.08630	11.4
85.06534	2.9
91.05480	9.8
93.07049	17.6
95.04967	8.5
95.08612	27.9
97.06533	6.6
97.10191	2.2
99.08102	21.5
105.07031	17.2
107.08604	15.5
109.06532	28.6
109.10146	12.4
111.08125	2.9
112.58164	1.9
117.07079	2.3
119.08587	17.0
121.06520	9.0
121.10110	8.7
123.08059	3.0
123.11702	5.8
125.93099	1.8
131.08611	6.2
133.10156	10.4
135.08000	8.1
135.11703	5.9
139.11192	6.1
145.10129	6.5
147.11703	7.5
149.09622	3.6
149.13196	4.9
151.11221	3.3
159.11719	3.8
161.13269	6.0
163.11134	8.1
165.12759	65.8
166.13066	2.8
173.13307	1.7
175.14909	4.1
177.12788	6.2
179.14256	3.6
189.16310	2.3
191.14368	3.0
201.16347	2.3
203.35542	1.6
209.19016	17.6
210.19395	1.9
216.98677	1.9
219.17325	1.9
220.50537	1.8
227.03694	1.8
233.19034	2.3
237.18553	4.8
271.24020	2.4
271.56409	1.9
275.20306	2.5
279.19443	2.5
279.26825	3.5
289.25278	19.2
299.23688	2.2
307.26337	6.6
317.24747	100.0
318.25150	7.0
335.25797	31.7
348.45093	1.9
349.27399	68.4
350.27707	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2843
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03932	1.0
54.98663	0.7
55.01876	0.7
55.05509	11.4
57.03423	0.9
57.07076	5.0
63.74187	0.6
67.05503	10.7
69.03389	0.8
69.07068	15.7
69.73003	2.2
71.04987	0.9
71.08630	10.2
74.41686	0.8
78.27896	0.7
79.05508	5.1
81.07056	15.7
83.04985	3.3
83.08631	7.6
85.06535	2.0
89.37788	0.7
91.05500	4.6
93.07040	8.1
95.04987	1.1
95.08601	18.1
97.06531	2.7
97.10187	1.7
99.08097	12.6
100.73694	0.7
105.07025	5.3
107.08596	10.7
109.06529	5.6
109.10147	7.2
111.04427	1.6
111.08064	3.5
117.07004	0.9
119.08592	7.1
121.06506	1.3
121.10154	5.8
123.08065	22.0
123.11703	3.7
125.05980	1.7
125.09604	1.8
133.10135	7.7
135.08023	4.7
135.11693	3.0
137.09628	2.1
137.13248	1.8
145.10155	1.9
147.11684	2.9
149.09621	2.1
149.13219	4.0
151.11234	0.7
151.14857	1.0
153.12755	4.3
159.11681	1.4
161.13240	1.8
163.11176	1.6
163.14813	1.1
165.12778	1.2
167.14299	1.1
173.13278	0.8
175.14819	1.2
177.12648	1.0
177.16383	0.9
179.14305	30.4
180.14645	0.8
181.12263	1.0
181.15883	0.8
189.16331	1.9
191.14378	2.1
193.15836	1.6
203.17932	1.1
205.15843	1.0
233.19017	1.4
251.20030	9.7
275.20193	1.0
275.27512	0.9
281.21130	0.8
289.25363	0.8
293.21094	11.3
293.28278	3.8
303.26822	13.1
321.27945	5.0
331.26297	41.7
332.26605	2.6
349.27359	100.0
350.27606	6.5
367.28448	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.92055	0.2
56.96558	0.2
57.03422	0.7
57.58176	0.2
61.02935	1.1
66.03491	0.2
69.03448	2.0
70.02847	0.5
71.04992	0.3
72.08136	0.3
73.02898	0.3
76.86603	0.3
81.03431	1.4
83.01300	0.2
84.04436	0.2
85.02910	5.7
87.04472	0.4
91.03934	0.6
97.02905	2.3
98.23355	0.3
98.97633	0.3
99.04457	0.3
103.70391	0.2
109.02902	0.5
110.07175	0.4
116.21375	0.2
127.03887	1.1
132.04465	6.8
145.00301	0.2
145.04990	1.3
160.03943	0.7
177.05489	0.3
178.05002	65.4
179.05380	2.2
180.05388	0.3
193.17014	0.2
206.04498	100.0
207.04846	4.4
210.04921	0.3
363.33701	0.3
368.09796	0.5
369.11584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01871	8.0
55.05500	2.1
56.42438	0.9
57.03432	5.7
61.02917	6.8
67.05494	2.1
68.99789	2.5
69.03065	2.0
69.03426	34.8
69.07057	1.9
71.04977	4.7
71.27316	1.0
73.02917	6.2
79.05495	2.4
81.03422	22.8
81.07042	3.6
83.01269	1.1
83.04968	1.2
85.02902	100.0
86.47760	1.2
87.00826	42.4
87.04454	1.6
91.03947	2.2
91.05470	2.2
93.07034	1.9
95.04955	2.0
95.06074	1.2
95.08587	2.4
97.02888	31.2
97.06532	3.7
99.04455	11.4
105.01865	76.6
105.07040	2.2
107.04951	2.7
107.08582	4.4
108.04479	2.0
108.15681	1.0
109.02880	26.9
109.06501	1.3
109.10141	2.3
110.07152	4.4
111.08085	1.3
114.09169	2.2
117.01797	1.4
119.04876	1.1
119.08559	2.2
121.10149	2.1
127.03914	70.8
129.01801	3.4
131.08553	1.5
135.11703	1.4
145.04948	34.0
145.12224	1.5
147.02843	2.6
147.04440	1.8
147.08035	1.3
147.11679	2.7
149.92763	1.2
153.12712	1.2
156.13846	1.3
159.02873	13.2
167.54904	1.0
171.13838	2.8
174.55907	1.0
175.03922	2.0
177.04126	1.0
180.13808	2.4
180.22610	1.0
189.03935	4.8
207.06491	3.1
213.03896	1.8
231.05006	20.5
249.06091	5.6
322.20993	1.3
350.23288	1.4
351.15549	1.1
368.08417	1.6
368.20834	8.9
368.24887	3.0
368.28531	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05029	1.2
57.03436	0.5
67.05504	3.4
68.05014	0.9
69.03419	1.2
69.07061	0.9
70.04404	0.7
70.04736	0.7
71.04993	0.7
79.05484	2.1
81.03419	1.0
81.04527	1.4
81.07057	3.7
82.05308	1.3
83.06102	13.5
83.08624	0.7
85.02896	2.5
85.06555	0.7
86.09696	0.5
91.05476	2.9
93.04527	8.7
93.05118	0.6
93.07054	3.6
95.06087	15.5
95.08584	3.2
97.02934	0.9
97.06501	0.7
98.23364	0.5
99.17949	0.4
105.07043	1.1
107.06088	1.8
107.08583	1.5
109.02856	0.5
109.06483	0.7
109.07645	0.5
109.10157	1.0
110.07158	72.1
111.05561	2.3
111.07507	1.3
112.08728	1.5
113.07130	1.5
117.03371	0.8
117.06969	0.5
119.04912	0.8
119.06039	0.6
119.08581	1.1
120.05581	2.3
121.07648	1.0
121.10133	0.6
123.08124	1.0
123.11662	0.7
131.08537	1.1
133.07628	0.7
133.10135	0.7
136.07565	0.9
138.06578	0.5
139.10907	0.4
141.06606	1.6
142.04771	0.8
145.02837	2.1
145.07622	0.4
145.10045	0.6
147.04401	0.8
147.11693	0.9
149.09633	1.6
149.24530	0.4
151.11182	0.7
155.20288	0.5
156.07687	4.7
159.08060	0.4
159.11641	0.6
163.11185	0.9
166.06137	0.8
170.12480	0.4
174.10361	0.8
175.03903	1.0
177.05489	3.3
189.12701	3.8
191.14296	1.1
193.16623	0.4
207.06483	2.6
207.13760	3.6
255.09393	2.1
259.17996	2.5
277.19116	9.1
278.18970	0.8
286.19046	0.9
299.55911	0.5
304.20184	4.7
322.21222	32.1
323.21561	1.7
324.22870	1.1
350.20703	1.7
363.79892	0.4
368.21783	100.0
369.11032	0.8
369.15112	2.5
369.22418	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.99053	1.1
55.01875	2.5
55.05514	19.1
57.03435	3.1
58.06602	5.1
60.04242	1.8
60.04530	19.8
67.05509	16.8
69.03431	3.8
69.07075	12.8
69.12590	4.1
69.13007	2.5
70.06592	2.4
71.04991	7.0
71.58395	1.2
79.05489	16.4
81.03396	1.6
81.07063	14.4
83.04990	3.0
83.08626	10.7
84.08150	6.8
85.06548	3.4
86.09718	25.9
88.07604	2.5
89.22424	1.0
91.05478	8.6
93.07056	14.5
94.06573	1.9
95.04981	5.7
95.08609	8.4
96.08134	3.0
97.06540	5.1
97.10175	15.9
98.23486	2.5
100.07626	3.6
103.07938	1.3
105.07053	8.2
106.06569	1.7
106.07369	1.3
107.04999	3.1
107.08589	10.3
108.08134	2.0
108.08875	1.3
109.06540	5.1
109.07233	1.1
109.10179	3.2
110.06006	2.5
111.08105	2.0
112.07617	28.0
113.06041	1.7
117.07001	2.5
119.08595	4.2
121.06516	2.5
121.10162	8.1
122.09689	8.3
122.11953	1.2
123.08094	3.3
124.07673	1.5
125.09647	12.9
128.10727	25.8
129.07018	1.0
130.08667	3.5
131.08551	6.3
132.08066	2.0
133.06520	1.4
133.10133	2.3
134.09676	2.2
135.04422	7.6
135.08090	4.6
135.11696	4.2
136.11221	1.7
137.09450	1.1
138.12830	4.4
145.10126	2.8
147.08041	1.5
147.11676	2.5
148.11259	2.6
149.09641	1.9
149.13246	1.5
154.08664	6.9
159.11726	3.3
161.09676	1.1
171.10263	1.9
172.09705	8.8
180.13852	14.9
181.08554	1.7
187.11208	2.5
189.11246	10.9
217.16055	1.7
221.15422	1.5
223.13393	4.9
244.20541	1.3
255.17589	1.6
272.20114	1.8
273.18539	7.8
280.06760	1.8
290.21164	10.7
291.19507	8.9
308.22220	12.6
324.09573	7.5
327.18741	1.5
332.22202	2.0
350.23318	29.9
368.24408	100.0
369.17133	3.8
369.25012	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0971
Annotation	Aversin
Peak:m/z	Relative Intensity
55.01868	1.4
55.05505	1.2
56.74857	1.0
56.96563	1.6
60.19849	0.9
67.05505	3.2
69.07050	1.2
69.64986	3.8
79.05521	1.9
81.07051	2.9
86.75156	1.1
91.05480	3.8
93.07069	1.3
95.04959	1.3
95.08569	1.4
103.05467	10.9
105.07030	3.2
115.05462	14.5
117.07024	12.9
119.04950	1.7
119.08591	1.3
121.10150	2.0
125.09608	0.9
128.34895	1.1
129.07004	1.2
130.04109	1.2
131.04929	22.2
131.08617	1.1
133.06499	2.3
133.10168	1.7
135.04402	12.9
135.08061	1.6
143.04912	8.4
145.06479	9.9
147.04407	13.2
148.05179	3.2
149.02338	7.0
149.03406	1.2
149.06003	1.5
149.13232	1.4
159.04430	24.7
161.05963	11.9
163.07564	1.5
165.05515	1.8
171.04440	2.0
173.05991	15.1
174.06364	1.1
175.07521	1.5
176.04663	3.8
185.05992	8.5
187.03920	8.4
189.05466	4.2
191.07031	29.8
191.08698	2.1
192.07414	1.2
199.03941	3.2
201.05522	2.8
203.03377	3.0
207.06485	1.7
217.04987	10.4
219.06520	73.1
220.06848	3.5
229.04945	13.3
230.05392	1.2
237.07582	42.8
238.07860	2.1
241.78812	1.0
247.06013	100.0
248.06328	5.9
260.09238	4.4
269.10580	2.2
277.21591	1.2
293.11765	1.2
307.06000	3.4
335.05450	5.7
336.06213	1.3
337.10956	1.8
351.08698	5.7
351.25250	1.6
369.09683	48.0
369.16565	2.8
369.20081	2.9
370.10165	5.3
387.20441	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01785	0.6
51.99569	0.6
56.96566	100.0
69.03447	0.6
70.06593	2.3
71.34114	0.6
71.95277	0.7
72.96043	1.5
74.97622	0.7
83.97633	1.2
84.08121	0.9
85.02933	0.8
89.03934	0.7
110.07183	0.8
116.98564	0.6
117.03391	0.6
118.08680	0.7
120.08088	2.0
129.05478	0.7
129.10207	0.6
144.96889	0.6
145.02878	2.4
149.02686	0.7
162.97803	0.7
163.00642	0.8
165.02269	1.4
167.03748	1.3
176.03801	16.4
177.02171	0.8
177.05513	3.6
178.05382	31.2
179.05305	5.0
181.01796	2.0
181.06119	0.7
183.03304	6.7
183.98083	0.8
186.02342	0.7
190.01828	0.8
192.03337	2.4
192.44482	0.6
194.04918	8.3
196.06456	24.1
201.04321	6.7
204.03307	9.1
206.04466	6.2
207.04805	8.5
207.06552	0.8
208.02843	3.3
208.07155	1.1
210.04488	1.2
211.05482	0.9
222.04378	63.7
223.04582	2.5
226.03909	2.7
237.02686	0.9
240.05420	55.0
241.05827	2.5
245.05942	1.1
258.97913	0.6
263.06940	0.9
279.06693	0.6
324.09073	1.0
351.10150	5.8
369.11234	75.2
370.11548	6.8
387.12427	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	0.9
70.99731	0.7
84.08157	0.5
85.02893	0.5
98.97598	1.1
101.00893	0.6
107.04963	2.7
110.07150	1.3
116.98566	0.5
119.01913	1.0
145.02863	0.8
156.03334	1.5
161.03001	1.7
174.04333	1.0
177.00716	0.5
177.05452	0.7
180.75526	0.4
185.06799	0.5
186.04408	1.1
187.00810	0.5
203.05371	2.6
204.05490	1.0
206.04497	0.7
207.04846	1.0
237.02299	0.5
245.05165	0.4
263.02936	0.6
298.04572	0.4
310.04446	2.1
316.05603	0.6
328.05545	3.3
369.11566	100.0
370.11987	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20024	0.4
69.62501	0.9
69.62897	0.8
112.02604	0.5
162.05521	0.9
172.70880	0.5
177.05370	0.6
185.04227	3.8
206.05505	4.3
207.06294	8.2
208.06631	0.6
251.15086	0.7
252.15512	0.5
337.24814	0.4
341.26181	0.4
369.11594	100.0
370.11914	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.01859	0.4
55.05515	0.7
57.03443	0.2
65.03942	0.5
67.05518	0.9
69.03436	0.9
69.07060	0.4
69.20551	1.2
71.05002	0.3
73.02924	0.3
74.99326	0.2
77.03930	0.3
79.05525	0.6
81.03423	1.0
81.07069	1.0
83.05025	0.4
85.02925	1.2
88.07735	0.2
89.03931	0.4
91.05485	13.8
92.05819	0.6
93.07047	0.5
95.01395	0.3
95.04985	0.7
95.08633	0.5
97.02888	1.9
98.22658	0.5
103.05474	0.6
105.07051	0.8
107.04951	0.3
107.08617	0.6
108.05754	0.2
109.02894	0.5
109.06461	0.2
109.10172	0.5
110.07168	0.5
111.04394	0.3
115.05489	0.3
117.03439	0.3
117.07021	0.3
119.04945	23.7
119.08582	0.6
120.05256	0.5
121.06544	0.4
121.10155	0.8
123.08099	0.3
127.03915	0.3
129.03418	0.4
130.06522	0.5
131.04961	0.4
131.08574	0.4
132.02086	0.8
133.02866	0.2
133.06482	0.4
133.10152	0.8
135.04431	0.5
135.08093	0.4
136.05191	0.4
137.05956	1.3
137.09607	0.9
139.05026	0.4
145.02858	0.5
145.06491	0.3
145.10146	0.3
147.04411	21.6
147.11760	0.2
148.04726	0.4
149.02327	0.8
149.09604	0.3
151.07504	0.2
151.11098	0.4
157.03957	2.9
157.06320	0.2
159.08083	0.3
161.05991	0.7
161.09641	0.3
162.03204	0.2
163.03876	0.3
164.04768	0.7
175.03914	40.5
176.04247	1.5
179.07054	1.7
191.14378	0.4
192.04182	0.3
200.04742	0.2
207.06526	100.0
208.06859	3.9
209.15323	0.5
210.11972	0.2
225.07536	0.5
251.12683	0.4
263.12775	0.3
284.15646	0.3
289.14301	2.1
291.10214	0.3
293.13565	0.5
307.15439	1.3
323.14987	0.4
324.21555	0.7
325.22110	0.4
333.13333	0.5
336.60971	0.2
349.09415	0.3
351.10736	0.5
351.14642	0.3
368.24286	0.6
369.11514	1.1
369.19073	0.5
369.24408	0.9
370.26031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
55.01852	0.4
55.05511	1.0
56.05040	0.4
57.03431	1.2
57.07072	0.5
59.04992	0.5
61.02929	0.8
63.02393	0.7
65.03921	0.7
67.05495	3.3
68.05009	0.3
69.03429	3.8
69.07083	0.9
70.06596	0.8
71.05000	1.2
71.46089	0.3
72.08154	0.6
73.02901	0.4
78.04714	0.5
79.05484	1.9
81.03416	2.8
81.04556	0.4
81.07053	2.4
82.05312	0.4
82.07407	0.3
83.04975	2.2
83.06099	3.7
83.08618	0.4
84.06446	0.9
84.08150	0.7
85.02901	7.2
85.06544	0.8
86.09695	0.6
87.04457	0.5
89.03908	6.6
89.04454	0.5
91.05471	4.4
93.04533	2.3
93.07041	3.2
95.04993	1.7
95.06088	4.4
95.08597	7.4
96.06425	0.8
97.02901	2.7
97.06523	0.9
99.04470	1.0
103.05485	0.4
105.03372	0.4
105.07024	3.6
106.04141	0.5
107.04943	0.5
107.08571	2.7
109.02885	2.0
109.06512	1.2
109.10181	1.6
110.07160	14.9
110.07925	0.7
111.04454	0.8
111.05574	0.4
111.06837	0.6
111.07481	2.8
111.08036	0.3
113.05966	0.8
117.03372	21.3
117.07034	0.4
118.03720	0.5
119.04938	3.6
119.08583	3.2
120.05563	0.6
121.06546	1.5
121.10147	2.4
121.35044	0.3
123.04449	0.5
123.08088	2.5
123.08930	0.3
123.11732	1.3
125.09636	0.5
127.03927	2.1
127.11192	0.4
129.07036	0.5
131.08563	1.0
133.06514	0.9
133.10133	3.0
134.03624	1.6
135.04408	1.5
135.08076	0.8
135.11678	1.0
136.07600	0.8
137.06023	0.6
137.07910	0.4
137.09621	1.2
141.06564	4.2
143.08557	0.6
145.02840	52.7
145.10104	2.1
146.03122	1.9
146.06018	1.1
147.04390	2.2
147.08069	1.6
147.11644	2.3
149.05963	8.5
149.09613	7.5
151.07498	0.4
151.11192	2.9
153.12737	0.9
154.13057	0.3
156.07707	0.7
156.09334	1.0
158.80107	0.3
159.08061	1.7
159.11647	0.4
161.09587	1.1
161.13261	2.0
163.03885	0.6
163.11191	3.6
165.12733	0.5
171.07782	0.4
171.11665	1.2
173.09560	0.4
173.13165	0.4
174.10396	3.4
175.03903	4.1
177.05460	100.0
178.05786	4.6
179.10545	0.4
186.05469	0.9
188.07104	0.4
189.07343	0.4
189.12732	14.6
190.13170	0.4
191.14297	4.4
192.06497	0.3
195.06516	0.4
207.06497	7.4
207.08456	0.4
207.13802	12.9
208.14177	0.8
231.13792	0.6
244.05104	0.4
255.09360	0.4
260.18527	0.4
277.19150	0.9
278.19321	1.2
305.20718	0.6
322.21307	2.7
323.21561	6.5
351.10373	1.4
368.21719	6.5
369.10913	1.0
369.15100	3.5
369.21851	15.9
370.22195	0.9
370.26523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01868	1.5
55.05518	0.7
56.42931	0.6
57.03428	1.1
66.08722	0.5
67.05495	2.0
69.03432	2.5
69.07056	0.8
69.71658	1.5
71.04977	0.5
79.05482	2.0
81.03419	1.8
81.07055	3.0
83.04995	0.7
85.02907	1.4
85.17567	0.5
91.05462	4.9
93.07043	1.3
95.04951	1.1
95.08619	1.5
97.06540	0.7
98.22718	0.7
103.05420	0.8
105.03364	0.6
105.07024	1.9
107.04964	1.7
107.08620	2.9
109.10136	1.4
112.07594	0.6
115.05462	0.8
119.04919	3.4
119.08577	1.6
121.02897	0.5
121.06488	0.6
121.10130	2.4
127.03888	0.7
131.04877	1.9
133.10109	6.0
135.08038	1.1
136.07564	1.0
137.05939	1.3
137.09608	4.4
145.06462	1.2
147.04402	3.6
149.13220	0.6
151.03885	0.6
151.11186	1.6
161.05997	0.7
161.09547	0.6
165.05586	0.7
165.07005	2.3
166.07729	0.7
167.08496	0.7
169.06479	0.5
173.13261	0.9
175.03923	5.6
177.06888	1.0
178.07835	2.4
179.08572	1.8
181.06448	0.9
189.07016	1.6
190.07805	1.7
191.08485	3.1
191.14336	2.6
192.05647	0.7
193.06563	0.6
194.07266	4.5
195.08037	1.7
202.07773	3.6
203.08598	3.0
204.09245	1.1
205.06496	3.5
206.07260	2.1
207.06506	9.7
207.08115	3.6
208.08759	1.3
209.05930	1.4
209.09619	2.1
209.15279	1.2
210.06721	0.5
215.08603	0.8
218.07272	2.4
219.08054	6.7
220.05258	1.0
220.08789	4.1
221.06006	2.4
221.09625	2.3
222.06772	3.7
223.07437	3.1
224.08298	1.3
228.16063	0.6
230.07265	1.0
231.08034	5.0
232.08752	1.7
233.05989	2.8
233.09511	1.2
234.06769	3.4
234.10411	0.7
235.07492	6.8
236.08315	2.9
237.05475	0.8
237.09012	4.9
238.06357	1.3
238.09950	1.0
246.06792	1.1
247.07541	6.1
248.08292	6.9
249.05417	1.5
249.09033	3.9
250.06255	3.9
250.09789	1.4
251.07008	4.2
251.10571	1.0
252.07826	2.4
253.08421	1.1
258.06668	0.7
259.07513	1.5
260.08371	0.9
261.09055	2.5
262.06149	1.5
262.09821	2.2
263.07083	3.5
263.10617	2.4
264.07809	4.4
265.04913	0.7
265.05490	1.0
265.08560	13.9
266.05902	0.9
266.09232	3.4
267.06586	0.6
267.10046	1.3
275.07013	1.6
276.07721	4.1
277.08521	3.3
278.05838	1.4
278.09387	1.9
279.06580	3.7
279.10114	3.2
280.07370	0.9
280.10806	1.2
281.11728	1.2
283.09592	1.0
290.09418	0.9
291.06631	2.5
291.10077	15.4
292.07349	0.8
292.10635	1.5
293.08008	5.5
294.08804	5.7
295.09528	4.2
304.07303	1.3
305.08127	1.6
307.09607	5.3
307.15381	0.6
308.06985	0.8
308.10315	2.6
309.07895	0.6
309.11151	12.4
310.11624	0.9
311.09058	1.5
311.12677	1.2
319.09607	8.4
322.08316	2.5
323.09131	6.2
325.10641	1.2
337.10669	100.0
338.07428	0.9
338.11224	12.0
339.12231	1.7
351.08231	4.4
354.10837	0.7
369.09479	6.0
369.13315	32.5
369.22610	2.5
370.13855	3.2
370.17920	0.6
370.25909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01855	1.6
57.03427	1.4
64.14284	0.5
67.05496	1.4
69.03409	1.8
69.07047	0.7
69.34142	2.8
79.05486	1.7
81.03410	1.4
81.07050	1.4
83.04948	0.5
83.08617	0.6
84.08157	0.6
85.02883	0.8
86.24660	0.5
91.05473	4.2
93.07022	1.3
95.04959	0.6
95.08601	1.1
97.02886	0.8
97.06529	1.1
98.23565	0.7
105.03384	0.5
105.07005	2.3
107.04932	1.6
107.08569	1.6
109.06471	0.7
109.10130	1.1
117.07001	0.8
118.04140	0.5
119.04971	3.2
119.05712	0.5
119.08589	0.9
121.06470	0.7
121.10135	1.4
125.05992	0.6
125.09641	0.6
127.03923	0.7
131.04900	2.2
133.10109	5.5
136.07555	0.6
137.05962	1.5
137.09586	4.6
145.06427	0.9
145.10141	0.6
147.04405	3.6
149.05960	0.6
149.13307	1.0
151.11162	1.1
157.03906	0.6
159.11729	0.8
161.05949	0.7
161.09581	0.9
165.07022	2.1
166.07787	0.9
172.83481	0.5
175.03899	5.5
177.07056	0.7
178.07750	3.3
179.08513	1.4
181.06412	1.3
184.61404	0.5
187.07484	0.8
189.07004	2.5
190.07748	1.4
191.08530	3.1
191.14296	2.6
192.05701	0.6
192.09273	0.7
193.06448	0.9
194.07202	3.4
195.08058	2.3
202.07785	3.0
203.08556	3.2
205.06444	3.3
206.07208	2.2
207.06503	9.4
207.08066	2.7
208.05130	0.9
208.08813	1.2
209.05960	0.7
209.09598	2.0
209.15372	0.7
215.08585	1.2
218.07274	2.6
219.08037	6.2
220.08656	3.0
221.06073	2.5
221.09662	2.2
222.06728	3.8
223.07547	2.5
224.08147	1.2
225.09143	0.9
230.07158	1.1
231.08002	5.7
232.08783	1.9
233.05917	2.6
233.09563	1.2
234.06786	2.8
235.07510	6.5
235.11096	0.9
236.08252	3.7
237.05431	0.8
237.09053	5.2
238.06271	1.4
238.09760	1.0
239.06946	0.9
246.06769	0.9
247.07503	5.6
248.08292	6.6
249.05478	1.4
249.09056	5.4
250.06236	3.0
250.09889	1.5
251.06992	4.8
251.10605	1.2
252.07747	2.6
253.08524	1.4
259.07529	1.2
260.08383	1.2
261.05774	0.7
261.09088	3.4
262.06345	1.1
262.09845	2.0
263.07077	2.4
263.10660	1.8
264.07858	2.7
265.05496	1.0
265.08563	13.7
265.11224	1.0
266.05829	1.1
266.09317	3.8
267.10080	1.8
275.07034	1.1
276.07794	2.9
277.08524	3.3
278.05881	1.0
278.09283	2.3
279.06693	3.5
279.10138	3.1
280.07260	1.8
280.10736	1.1
281.11548	0.9
282.08936	1.2
289.08676	0.6
290.09344	0.7
291.06543	3.0
291.10135	13.4
292.07166	1.4
292.10373	0.9
293.08047	6.3
294.08871	5.1
295.09482	2.8
305.08105	1.4
307.06174	0.8
307.09451	5.1
308.10431	2.0
309.08252	0.5
309.11188	12.2
310.11896	1.0
311.09058	0.8
311.12863	0.5
319.09595	6.2
321.07462	0.7
322.08224	1.4
323.09085	6.0
324.09372	0.7
325.10406	1.0
337.10663	100.0
338.11227	9.4
339.12100	1.2
351.08295	3.9
369.09451	6.1
369.13312	33.9
369.22739	1.9
370.09729	0.6
370.13800	2.9
370.25955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
55.05500	1.3
61.04057	1.0
66.41257	0.8
67.05489	2.0
69.03428	2.3
69.07051	1.5
69.59740	3.8
70.06573	1.1
72.08170	1.3
79.05501	2.7
80.05022	1.1
81.03416	2.6
81.07059	2.7
83.08617	1.0
85.02902	2.6
85.06561	1.0
86.09705	1.4
91.05459	4.8
93.07047	2.2
95.04919	1.3
95.08623	1.3
98.22755	2.0
105.07046	2.2
107.08605	2.1
110.07176	3.2
111.05578	2.9
111.07461	1.2
116.78354	0.9
117.07029	1.0
119.04949	4.6
119.08569	2.3
126.71294	0.8
127.03924	1.0
131.08548	1.1
133.10132	1.0
135.04411	12.6
135.05354	1.2
135.58054	0.8
137.05949	1.8
137.09669	1.0
143.08604	1.1
147.04430	2.5
149.09612	1.1
157.05989	1.1
159.05138	1.2
161.09674	1.3
169.70232	0.9
175.03935	3.5
185.04228	4.7
189.08940	1.4
191.10475	0.9
192.13861	1.5
193.12254	1.1
201.03717	11.6
203.05223	11.0
207.06865	5.9
207.09900	54.5
208.05281	4.0
208.10242	2.4
208.13329	22.8
211.13307	1.8
235.14442	3.6
239.07050	1.0
247.07585	2.2
253.15431	5.6
264.07910	1.0
266.09509	1.1
269.08063	1.3
271.16641	2.5
275.07126	3.1
277.08481	1.4
283.05893	1.3
284.06357	1.8
285.06888	6.1
291.10489	1.1
300.09970	1.6
307.09625	1.8
309.11215	1.8
315.08505	7.7
318.09045	1.2
321.11099	1.1
323.09064	1.3
323.21725	2.1
324.10162	1.7
337.10538	1.3
338.11893	1.6
351.12012	2.8
351.22903	1.2
369.15253	100.0
369.24832	2.3
370.15570	6.2
380.54803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1522
Annotation	Drosopterin
Peak:m/z	Relative Intensity
55.05514	1.2
55.54679	0.9
57.03439	1.0
61.04036	1.4
67.05506	1.8
69.03428	1.8
69.07066	0.8
70.06580	1.4
70.45777	0.9
71.04990	1.0
73.27076	0.8
74.40781	0.8
79.05490	1.6
81.03410	1.3
81.07060	1.7
83.06106	2.1
85.02924	1.1
86.09700	0.8
91.05468	2.8
93.07027	0.8
95.06091	1.3
100.74384	0.8
105.07005	2.4
107.08593	1.3
109.10132	0.9
109.98145	0.8
110.07150	3.8
111.05556	4.1
116.04590	1.2
119.04977	0.8
119.08562	1.7
121.05154	0.9
121.10144	0.9
133.06500	1.1
137.09555	1.0
145.02869	1.3
146.37054	0.8
147.04453	1.3
157.06116	1.8
159.05098	1.3
161.09680	0.9
163.03915	5.4
165.09138	1.2
175.03957	1.7
177.05464	1.0
185.04205	39.8
189.08910	2.7
189.12779	2.8
207.06650	3.6
207.09914	92.2
207.13904	2.8
208.10320	3.2
211.13300	1.9
253.15585	1.5
271.16638	0.8
323.21527	3.5
344.95508	0.8
363.05737	0.8
369.15222	100.0
369.22318	5.4
370.15567	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05506	0.4
60.11666	0.2
65.03941	0.4
65.26801	0.2
67.05492	0.5
67.84779	0.2
69.03427	1.1
69.07062	0.3
71.04993	0.3
77.03911	0.3
79.05489	2.2
81.07058	0.8
83.08659	0.2
91.05479	4.2
93.07048	1.2
95.04980	0.7
95.08611	0.4
97.06499	0.4
99.04469	0.8
103.05471	4.8
104.06234	0.3
105.03392	0.3
105.04549	0.2
105.07027	12.4
106.07384	0.3
107.04948	2.5
107.08611	0.5
108.05725	0.4
109.06504	1.0
115.05441	3.1
116.06224	0.6
117.07023	3.6
118.04176	0.5
119.04936	2.5
119.08579	1.0
121.06506	5.3
121.10143	0.3
122.07229	0.3
123.04454	0.5
123.08067	0.8
124.05209	0.3
125.05997	0.9
128.06223	0.7
129.07013	1.3
130.04143	0.3
130.07817	0.3
131.04922	7.0
131.08578	1.5
132.05692	1.4
133.02840	0.2
133.06490	14.6
133.10118	0.4
134.07291	0.4
135.04434	0.6
135.08040	3.6
136.05220	0.8
137.05968	3.3
138.06799	0.4
139.07539	1.2
141.07022	0.6
143.04898	0.7
143.06021	0.5
143.08548	0.7
144.05698	1.4
144.09378	0.4
145.06490	5.8
145.07477	0.2
145.10127	4.7
146.07266	5.1
147.04402	3.7
147.08051	5.8
149.05995	2.5
149.09631	0.4
150.06712	1.7
151.03973	0.2
151.07544	10.4
152.08327	0.4
153.05446	1.8
153.09128	0.6
155.06050	0.7
156.05743	0.5
157.06496	0.9
157.10135	0.3
158.07256	1.8
159.04399	0.6
159.08069	2.6
159.11662	1.7
160.05234	0.9
161.05977	20.6
161.09637	0.8
162.06740	1.9
163.07541	11.5
164.08337	2.6
165.05466	2.0
165.09114	6.8
166.06274	1.1
166.09947	0.3
167.07043	6.6
168.07797	1.2
169.06427	0.3
169.10167	0.5
170.07132	0.2
171.08099	1.9
172.05167	0.5
172.08865	1.2
173.05974	5.3
173.09619	2.6
174.06708	1.5
175.07532	2.6
176.08328	5.4
177.05737	1.3
177.09106	21.0
178.06271	0.4
178.09933	0.7
179.07018	5.5
179.10623	0.3
180.07826	2.6
181.08592	6.7
182.07135	0.2
182.09410	0.8
185.09572	0.4
186.06694	0.6
186.59450	0.2
187.07545	5.1
187.11150	2.0
188.08310	3.3
189.05511	0.5
189.09087	6.8
190.06172	0.3
191.07016	1.0
191.10730	0.6
192.07784	2.6
193.08601	20.5
194.09406	1.8
195.10136	1.9
197.09746	0.3
201.09138	1.4
202.09872	3.1
203.07031	1.1
203.08687	0.4
203.10622	2.9
204.07863	1.0
205.08604	5.2
205.12212	3.5
206.09431	0.7
207.10132	4.2
215.10678	3.7
217.08646	0.6
218.09386	1.4
219.10170	1.7
231.07982	0.4
233.11749	1.3
249.09175	0.4
261.08987	0.3
263.10703	0.5
273.09320	0.2
275.10550	0.3
277.08572	0.3
277.12112	0.3
277.21606	0.4
291.10129	0.4
295.13248	0.9
307.13348	0.9
308.13791	0.2
323.12747	1.0
337.14236	0.3
338.15121	0.6
339.15887	4.7
351.18759	0.3
353.17615	0.3
355.15381	3.1
369.16180	1.2
369.24225	0.3
370.17731	100.0
387.20264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49722	3.4
52.45314	3.0
53.03950	7.0
55.01884	13.9
55.05522	21.5
56.57518	3.7
57.03448	5.9
59.47636	2.8
65.03938	6.7
67.01891	3.2
67.05510	46.9
69.03439	13.9
69.07072	26.2
70.06606	13.1
71.44907	3.9
72.08168	9.3
79.05501	51.5
81.03428	20.3
81.07066	46.8
83.01342	6.3
83.04984	8.1
83.08642	12.6
84.08157	3.5
85.02916	16.8
86.09712	97.5
86.10221	6.2
91.05491	73.0
93.03426	5.0
93.07047	41.9
94.31292	3.1
95.01340	12.8
95.04978	28.0
95.08611	28.3
97.02912	13.3
97.06536	13.8
97.10171	5.1
99.04467	6.4
103.05482	11.8
103.20936	3.0
104.32611	3.0
105.03423	4.4
105.04536	4.8
105.07051	58.0
107.04961	23.8
107.08586	19.1
109.02872	16.5
109.06528	15.9
109.10164	9.7
110.07182	5.8
111.04437	3.4
111.08138	4.7
113.02359	3.9
115.05496	10.1
117.07026	38.2
119.04959	26.1
119.08595	35.9
121.02892	8.2
121.06539	24.8
121.10159	12.4
123.04433	10.1
123.08067	8.2
125.02348	5.2
125.06043	3.6
125.07099	3.4
127.03938	8.1
128.06207	11.7
129.07004	31.0
131.04916	14.4
131.08583	30.1
132.10226	14.1
133.02863	3.9
133.06497	36.7
133.10146	15.8
135.04448	28.5
135.08086	10.5
135.11761	3.4
137.02385	5.9
137.05997	15.5
137.09628	13.8
139.03893	4.2
141.01863	3.6
141.07013	10.9
142.07799	6.2
143.08614	16.9
145.02904	3.9
145.06502	20.3
145.10129	20.2
146.07191	3.1
147.04401	20.6
147.08057	31.6
147.11719	13.6
147.40292	3.4
149.02388	8.4
149.06010	11.5
149.09676	9.7
151.03951	13.7
151.07588	6.1
151.11240	5.3
152.06137	3.7
153.05580	3.3
155.03407	5.9
155.08531	14.1
156.09444	4.5
157.06456	8.1
157.10149	8.3
158.08208	3.3
159.04439	8.5
159.08066	6.8
159.11687	10.3
161.05984	34.6
161.09657	9.8
161.13193	2.9
163.03920	97.0
163.07570	8.4
165.05562	7.8
165.09160	5.4
165.12778	4.2
167.03415	3.6
167.08536	3.1
169.01321	6.1
169.10161	11.5
171.08195	3.5
171.11743	14.0
173.06009	11.5
173.09674	5.6
173.13326	4.3
175.03912	23.2
175.07559	32.2
175.11229	4.4
177.05516	15.8
177.12733	6.2
179.03476	21.2
179.07121	7.0
179.08488	3.8
181.04965	5.9
181.10175	4.8
183.11766	8.3
185.05936	4.6
187.07587	7.2
187.11194	10.3
189.05499	9.8
189.09088	4.4
189.12762	45.6
189.14305	4.0
191.03413	4.3
191.06975	3.0
193.04922	3.3
193.08566	4.3
197.09662	7.8
197.13255	4.9
199.11278	6.6
201.05498	3.6
201.09212	3.6
203.07048	25.1
205.04945	6.6
205.12219	5.0
207.06538	28.8
207.12029	3.9
207.13887	9.4
208.13361	6.6
209.04662	3.1
209.15424	4.4
211.83546	2.9
213.12799	3.5
215.07014	3.1
215.10588	16.6
217.12228	5.4
219.13972	3.7
221.04457	6.6
221.08124	5.3
225.09177	5.5
225.12970	5.3
233.11739	27.4
235.13397	5.2
243.10098	25.1
243.13901	7.9
251.12904	11.1
253.12299	5.9
259.13373	6.4
260.16446	4.5
261.11276	21.8
261.14951	4.7
269.11850	3.6
271.13382	19.3
279.12363	35.2
287.12796	8.2
288.15979	38.0
289.11060	6.7
289.14352	100.0
290.14709	9.4
297.13574	35.5
303.12354	3.8
305.13913	10.0
306.17010	36.6
307.15442	19.1
307.18475	3.1
315.12241	15.5
323.14832	3.4
324.17905	9.6
332.65091	3.1
333.13351	96.4
334.13260	7.4
334.16589	8.5
337.21490	3.8
351.14618	20.6
351.23703	6.2
352.17468	10.3
369.15384	20.7
369.24310	13.8
369.31354	10.4
369.87320	3.3
370.22180	45.4
370.25833	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.01870	9.8
55.05510	9.5
55.05763	2.2
57.03437	3.8
59.05008	4.5
67.05508	12.0
69.03436	6.0
69.07069	8.7
69.76408	1.7
70.36809	5.5
71.01431	1.9
71.04991	4.1
79.05489	27.3
81.07049	26.4
83.05001	6.9
83.08633	2.2
85.06541	2.8
91.05480	17.7
93.07053	16.3
95.04430	1.9
95.04948	10.6
95.08630	8.6
97.06528	15.1
97.10228	2.7
99.04475	7.6
103.05494	7.4
104.99358	2.2
105.04497	3.5
105.07025	99.5
106.07315	2.8
107.04987	9.1
107.08598	11.5
109.06522	10.5
109.10190	3.3
109.86970	2.0
111.03783	2.6
111.04425	9.8
111.08076	1.9
117.07035	9.0
119.04942	3.6
119.08605	8.9
121.06499	41.1
121.07297	2.3
121.10172	7.6
123.08105	2.9
125.06015	12.9
125.09646	2.1
128.06274	2.9
129.07031	5.8
130.07837	6.6
131.04988	2.0
131.08563	12.8
132.05721	3.1
133.06482	34.8
133.07387	2.9
133.10103	9.9
135.04478	3.0
135.08060	4.3
135.11714	3.6
137.05972	67.2
137.06996	3.9
137.09648	4.6
141.07022	3.1
143.07059	6.1
143.08601	6.5
143.45235	1.9
145.06497	12.2
145.10121	61.0
146.07344	2.9
146.10463	4.1
147.08072	4.5
147.11729	5.6
149.09645	5.8
151.07590	3.0
151.11249	2.3
154.07838	3.4
155.08595	7.3
157.10251	3.9
158.07265	19.1
159.08081	16.1
159.11670	22.1
160.08740	2.1
161.06090	2.1
161.09639	6.5
161.13326	3.0
163.11281	2.3
165.09076	10.5
169.10081	9.7
171.08147	3.2
172.08899	5.0
173.09618	100.0
174.10089	6.6
175.11230	2.4
177.09189	2.1
179.08553	5.7
181.12350	3.1
182.07359	2.1
187.11162	43.5
187.12657	3.2
188.11549	3.4
197.09613	15.0
203.17917	4.7
205.12224	19.1
215.10670	75.8
216.11082	4.4
231.17523	7.3
233.11740	39.7
233.13930	3.9
234.12106	2.8
249.18527	7.3
277.17990	49.7
277.20929	2.8
278.18341	4.5
295.19003	8.1
338.10214	2.3
348.44980	2.0
351.21658	4.9
369.12943	2.8
369.16766	4.2
369.22540	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05490	0.9
63.86114	0.5
66.40123	0.3
67.05511	0.4
69.03423	0.5
69.07058	0.4
70.06594	0.6
79.05488	5.2
81.03429	1.0
81.07052	9.4
85.02863	0.5
89.03914	0.9
91.05482	1.6
93.05796	1.9
94.06550	1.4
95.04950	0.4
96.04472	0.4
96.08147	3.3
100.01143	0.4
106.06547	1.3
106.17285	0.4
107.07324	0.6
108.08103	0.9
109.06506	1.6
110.06042	7.5
110.06787	0.5
110.07175	1.0
112.61300	0.4
117.03369	3.0
119.04928	0.8
122.05994	2.0
123.04430	1.1
123.06805	4.1
124.07597	15.4
134.06012	1.4
136.07530	2.0
137.05946	0.6
138.05475	0.6
140.07068	1.9
145.02844	5.7
147.04361	0.5
149.05977	1.2
150.05515	0.9
152.07066	100.0
153.07394	3.3
155.98460	0.4
164.07072	1.3
168.06599	0.9
170.08124	42.4
171.08420	1.0
175.03967	0.5
177.05463	10.4
178.05882	0.6
182.08138	1.4
196.09680	5.5
197.09987	0.6
198.07733	0.5
198.63747	0.5
200.09187	12.8
201.01399	0.4
201.09415	0.7
207.06552	2.4
369.11462	1.3
369.15573	2.2
369.25119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1699
Annotation	Edulenol
Peak:m/z	Relative Intensity
50.01595	0.2
51.02388	0.5
53.03943	0.5
55.01852	0.3
55.05499	0.1
58.34569	0.1
59.05011	0.1
60.92870	0.1
63.02381	0.2
63.68261	0.1
64.50393	0.1
65.03916	0.8
67.05500	0.7
69.33582	0.6
75.04482	1.3
77.03904	1.5
78.04706	0.5
79.05495	4.4
80.06255	0.3
81.07043	0.4
84.76801	0.1
89.03969	0.2
90.04692	0.3
91.05476	5.9
92.06261	0.4
93.07046	1.3
94.04211	0.1
95.04967	2.5
95.08601	0.7
102.04651	0.1
103.05467	3.7
105.03411	1.1
105.04520	1.1
105.05508	0.4
105.07034	3.8
106.04153	0.5
107.04952	2.8
107.08588	0.2
108.05758	1.7
109.06529	2.0
115.05449	2.8
117.07033	2.6
118.04182	0.2
119.04937	1.8
119.05761	0.2
119.06044	0.1
119.08593	0.3
120.05748	1.0
121.02877	0.6
121.06503	7.5
121.59902	0.2
122.03664	0.2
122.07261	0.6
123.04452	0.7
123.08067	3.2
125.05979	0.4
127.05435	0.2
128.06221	2.1
129.07002	3.0
130.04135	0.3
131.04929	7.6
131.08566	0.5
132.05713	0.3
133.02792	0.2
133.06490	12.5
134.03633	0.3
134.07169	0.3
135.04411	77.4
135.07996	2.5
136.05243	7.2
137.05978	5.4
137.09613	0.3
138.06781	1.7
139.07567	1.3
141.06964	0.7
143.04932	2.7
143.08562	1.5
144.05727	0.8
145.06480	6.7
146.07283	0.9
147.04393	0.8
147.08044	3.9
148.05190	7.7
149.05984	8.4
150.06754	2.8
151.03937	2.7
151.07541	20.5
152.08272	1.1
153.05463	0.9
153.09061	1.3
155.06013	0.4
156.05719	0.7
157.06488	5.7
158.07309	1.1
159.04427	0.5
159.08044	2.5
160.05186	1.5
161.05975	10.3
162.06769	1.3
163.07542	12.8
164.08318	1.9
165.05476	4.0
165.06946	0.3
165.09117	7.4
166.06253	33.7
167.07022	3.6
168.07826	2.1
169.06451	0.7
169.08586	0.9
170.07248	0.2
171.08029	3.0
172.05183	1.2
172.08659	0.2
173.05977	9.9
174.06766	2.2
175.07532	4.6
176.08321	7.7
177.05573	1.1
177.09102	8.1
178.06105	0.2
178.09702	0.3
179.07005	1.8
179.08403	0.2
179.10564	0.2
180.07813	10.2
181.08588	77.2
182.08974	3.6
183.08078	0.2
183.10170	0.8
185.05972	7.5
185.09529	0.2
186.06754	9.4
187.07532	10.5
188.08316	4.7
189.05478	0.7
189.09088	7.1
189.10818	0.3
190.09854	2.4
191.07002	1.8
191.10635	0.3
192.07811	1.9
193.08600	5.3
194.09319	0.7
195.10161	16.3
196.10530	0.6
199.07533	1.2
200.08357	0.3
201.05431	0.3
201.09109	5.1
202.09848	2.9
203.06982	1.5
203.08597	0.3
203.10623	2.3
204.07808	1.6
205.08568	2.2
205.10269	0.2
206.09312	1.3
207.10155	20.3
208.10580	0.7
209.11629	0.2
211.07588	0.2
214.09879	0.2
215.08640	0.3
215.10608	0.3
216.07796	0.3
216.11464	0.5
217.08466	0.8
218.09279	1.1
219.10133	6.0
220.10657	0.5
221.09586	0.3
221.11732	1.5
223.07399	0.2
230.09213	0.2
231.08107	0.3
231.10159	1.6
232.08733	0.2
232.10947	0.4
233.09486	0.5
233.11691	2.9
234.10199	0.2
234.12314	0.4
235.07521	0.2
235.11110	0.3
247.11130	0.7
247.13327	1.2
249.09058	0.5
261.09091	0.7
262.09808	0.7
263.10638	0.6
264.11151	0.2
265.12234	0.3
273.09219	0.4
274.09891	0.2
275.07507	0.1
275.10599	0.9
276.11319	0.3
277.08521	0.4
277.12213	1.3
278.09302	0.4
278.12878	0.4
279.10117	0.4
279.13651	0.3
280.10870	0.2
287.31326	0.1
289.08514	0.2
289.12228	0.2
290.09436	0.2
291.10114	1.0
291.13379	0.3
292.10913	0.5
293.11719	1.4
295.13065	0.3
303.13138	0.1
304.10855	0.2
305.11652	1.2
306.12494	0.6
307.09641	0.6
307.13275	2.3
308.10455	0.1
308.13983	2.6
309.11215	0.4
309.14807	0.7
310.15378	0.2
311.12866	0.1
319.13358	0.3
320.14102	0.6
321.11124	0.3
321.14658	0.2
322.11926	0.5
323.12756	1.6
324.13394	1.0
326.15054	0.4
336.13480	0.5
337.10388	0.3
337.14346	3.6
338.15115	12.7
339.12201	0.6
339.15823	6.8
339.20059	0.3
340.12607	0.2
340.16248	0.6
341.17297	0.9
351.15897	1.9
354.14603	25.7
355.14886	1.9
367.15289	0.4
368.31366	0.2
369.16946	100.0
370.17291	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01868	2.1
55.05498	4.4
57.03435	2.8
57.07072	1.3
59.04987	1.5
61.02927	4.4
65.03932	1.8
67.05500	3.7
69.03427	15.4
69.07068	3.6
69.78285	3.5
70.06591	1.0
71.04990	2.5
72.08152	8.3
72.58224	0.9
73.02913	2.2
79.05500	9.0
79.44025	0.8
81.03422	6.7
81.07072	4.6
82.06576	1.2
83.04973	4.1
83.08581	1.2
84.08146	1.5
84.26888	1.2
85.02899	29.4
85.06555	0.9
87.04472	3.1
91.03961	1.8
91.05479	29.7
93.07044	3.9
94.02908	1.1
95.04965	8.1
95.08613	3.6
97.02899	12.9
97.06536	2.3
98.09695	1.7
99.04443	3.3
103.05422	1.0
105.07029	19.6
106.07375	1.3
107.04955	1.0
107.08591	87.7
108.08934	2.2
109.02893	3.6
109.06499	5.0
109.10156	7.9
110.07158	1.7
110.09698	1.1
111.04410	1.1
111.08115	1.7
117.07009	3.8
118.09425	0.9
119.04942	27.0
119.08577	20.7
121.06520	1.5
121.10146	8.7
122.06022	1.9
123.04432	1.2
123.08073	2.4
123.11732	4.6
125.06012	1.5
127.03917	7.3
128.06236	1.6
129.07048	3.5
131.08571	15.9
133.02814	1.3
133.06572	1.0
133.10115	9.5
135.04340	0.9
135.08017	2.2
135.11685	5.3
136.07552	8.8
137.09630	3.5
137.13278	1.3
139.98430	0.9
141.06964	0.9
143.08531	5.2
145.02888	2.3
145.04974	5.9
145.10120	17.7
147.04407	23.3
147.08055	5.0
147.11681	22.1
149.09622	8.5
152.06967	1.3
156.09344	9.4
157.03969	2.7
158.10905	1.0
159.08038	1.6
159.11725	6.0
160.08804	1.3
161.09584	2.5
161.13239	16.6
162.13393	1.0
163.11197	3.7
164.07069	16.0
165.12756	2.5
171.11697	13.5
173.13240	6.1
174.10472	2.9
175.03903	41.9
176.04324	1.4
177.05449	2.9
179.03369	1.9
179.06999	1.4
182.08113	12.8
183.11754	1.0
189.12744	62.9
190.13043	3.0
191.14320	2.3
194.84698	0.9
205.12352	1.1
207.06512	100.0
207.13803	20.5
208.06813	4.6
231.24342	1.0
236.12830	1.1
264.15979	6.8
266.17426	2.3
281.18555	1.3
335.23370	2.1
350.10968	0.9
351.17987	1.1
352.26010	6.1
369.11633	1.4
369.14957	5.8
369.19717	4.9
370.27017	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05510	5.8
57.03441	8.4
57.07057	1.0
59.04990	1.5
61.02915	2.0
63.42077	1.0
67.05493	5.5
69.03428	17.4
69.07066	4.6
69.14205	1.0
69.31082	5.5
71.01354	2.9
71.04990	1.3
73.02924	10.8
79.05495	7.0
81.03429	5.9
81.07055	8.9
83.04980	8.5
83.08611	1.6
85.02899	45.7
85.06544	1.1
87.04477	5.0
91.05464	7.5
93.07030	6.6
93.33912	1.1
95.04952	4.0
95.08606	7.4
97.02886	32.3
97.03489	2.2
98.22765	2.1
99.00815	3.1
99.08086	3.4
101.02382	2.5
105.07037	9.9
107.04943	3.0
107.08591	20.4
109.02879	1.8
109.06503	7.8
109.10152	8.5
110.07128	1.5
111.08094	1.1
113.02356	12.6
115.03941	11.4
117.07045	1.6
119.04939	2.1
119.08565	5.3
121.04055	1.0
121.06496	3.6
121.10141	35.1
121.10987	2.3
122.07271	5.1
122.10535	1.7
123.08095	6.1
123.11706	2.1
125.02358	2.9
127.03974	1.1
131.08574	2.9
133.10126	12.0
135.08028	9.0
135.11678	4.3
137.05946	1.8
137.09608	100.0
138.09981	3.5
143.03409	16.4
145.10138	2.1
147.04437	1.3
147.07965	1.4
147.11705	4.3
149.09627	11.1
149.13249	34.2
151.03888	1.4
151.11171	68.0
152.11502	2.3
153.05479	1.2
157.10136	1.1
158.10854	2.0
161.04453	11.7
161.05852	1.5
161.09624	4.5
163.11253	1.2
163.14830	4.5
165.09186	1.2
165.12746	19.7
173.13220	7.2
175.03925	1.6
189.12733	1.5
191.14304	41.3
193.15891	9.6
198.49481	1.0
207.06520	4.9
207.10191	1.4
209.15358	90.8
210.15678	3.6
228.15968	1.6
237.14906	2.6
279.10043	1.5
287.12686	1.3
289.14340	3.0
307.15399	2.6
337.10773	3.4
339.12085	1.5
351.24954	1.4
362.49289	1.1
369.14761	2.0
369.18997	5.4
369.23041	6.0
370.25830	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05512	8.3
55.85919	1.3
57.03442	4.0
57.07063	3.0
59.05016	2.6
62.06074	2.1
67.05505	9.0
68.48930	1.2
69.03426	18.0
69.07061	10.1
69.15269	9.1
71.04997	5.9
72.04505	2.5
73.02905	3.0
79.05497	7.6
79.72691	1.4
81.03414	3.4
81.07052	17.7
83.04982	14.1
83.08618	3.9
85.02905	16.8
85.06555	1.8
87.04452	2.1
88.58115	1.3
91.05464	8.6
93.07059	11.8
95.04991	5.3
95.08601	24.1
97.02886	16.8
97.06550	4.1
97.10167	1.6
98.23438	2.5
99.04422	2.7
99.08073	7.5
100.07615	1.7
101.02397	2.5
105.07019	12.1
107.04951	3.3
107.08589	40.6
109.06522	10.2
109.10146	21.3
111.08083	1.8
113.02370	6.8
115.03951	5.5
118.04235	1.7
119.04965	2.7
119.08556	9.9
121.06519	4.5
121.10143	59.1
122.07298	8.8
122.10489	2.0
123.08073	4.7
123.11706	2.4
125.09623	10.1
127.03977	1.9
129.07068	1.5
131.08582	7.2
133.09157	2.3
133.10126	20.4
135.08060	14.6
135.11682	5.5
137.05983	7.9
137.09612	88.8
138.09964	2.1
139.11177	4.9
139.90257	1.5
143.03375	5.1
145.10098	3.1
147.04460	2.1
147.11647	9.5
149.09613	18.3
149.13251	29.3
149.14421	1.5
151.11177	72.6
152.11520	2.0
153.05478	1.7
153.09058	3.4
158.10999	2.4
161.04448	4.1
161.06035	4.0
163.14828	13.7
165.12801	5.8
167.10558	1.5
173.13268	18.8
175.03914	3.8
189.09149	1.4
191.14307	100.0
192.14618	3.5
207.06549	4.4
209.15370	57.2
210.14932	3.1
219.07944	1.6
225.09128	2.3
228.15935	7.4
235.07574	2.5
237.14940	4.2
246.17029	2.1
247.07619	2.7
248.08438	1.9
251.10619	1.5
252.07834	1.5
253.08644	4.7
263.07056	8.2
264.07767	6.1
265.08517	2.9
275.06912	1.8
276.07809	2.3
278.05615	1.8
279.06641	2.0
279.10101	7.2
280.07379	1.6
281.08197	6.9
291.06750	3.6
291.19537	1.8
292.07410	2.2
293.07916	2.2
294.08899	3.2
295.09454	2.4
299.09146	3.8
306.09103	1.8
307.09677	18.2
308.10056	2.1
320.06516	3.2
323.09085	7.3
325.10809	15.5
337.10605	2.2
339.12207	1.5
351.08694	5.9
369.09604	43.1
369.13318	3.3
369.22412	3.0
370.10056	3.5
370.25955	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34941	3.3
54.75350	2.9
55.05505	10.4
56.96561	39.8
59.86114	2.8
60.05035	2.5
70.06300	4.3
70.06631	7.0
71.80520	2.8
83.08617	5.2
98.23417	3.1
110.97527	4.9
139.00607	3.0
141.34546	2.9
145.98485	2.9
159.35838	2.7
177.66301	3.0
191.64912	3.2
199.06387	6.8
207.06633	3.3
209.29042	2.9
213.07953	17.8
217.07468	4.8
225.07959	6.2
229.07529	8.0
231.09070	11.8
239.09583	4.1
241.11055	13.0
243.09233	4.9
251.09630	8.1
255.08940	3.7
257.10776	3.5
259.12137	13.2
269.10593	51.2
270.10889	4.0
287.11758	16.0
315.16138	3.5
333.17273	19.7
351.18292	35.8
351.21729	4.0
352.18884	3.5
354.63751	3.0
369.19443	100.0
370.20111	6.2
387.20529	61.3
388.20837	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01865	5.1
55.05511	4.7
56.96545	0.5
57.03434	2.2
57.07070	0.9
67.05501	6.2
69.03432	0.4
69.07063	4.3
69.45807	1.8
71.05006	0.6
71.08631	0.7
72.05556	0.4
79.05489	6.1
81.07055	26.8
82.07388	0.6
83.04983	2.2
83.08622	2.0
90.89539	0.3
91.05483	3.1
93.07034	4.8
95.04975	1.1
95.08608	6.5
97.06551	1.1
97.10175	0.4
97.46600	0.4
105.07032	3.0
107.08606	4.4
109.06515	11.4
109.10152	2.9
111.04439	15.6
111.08091	1.2
117.07021	0.6
119.04929	0.4
119.08565	4.6
120.08861	0.4
121.10144	3.6
121.29214	0.4
123.08082	2.2
123.11716	1.2
125.05976	4.9
125.09601	0.5
129.06963	0.6
131.04797	0.5
131.08554	1.5
133.06473	0.6
133.10124	4.5
135.04405	1.1
135.08031	2.7
135.11690	3.7
137.05972	100.0
137.09602	1.1
137.13234	1.4
138.06300	2.6
139.07539	0.6
139.11081	0.4
143.08554	1.2
145.10146	1.6
147.04428	0.8
147.08037	1.1
147.11693	5.4
149.02290	0.5
149.09592	3.9
149.13246	1.4
151.07541	3.1
151.11189	0.9
153.09030	0.5
157.10086	1.7
159.11685	0.9
161.09610	5.8
161.13292	2.1
163.07509	0.5
163.11194	3.2
163.14842	1.1
165.09131	2.2
165.12683	0.5
167.10692	0.7
169.10065	0.6
171.11691	1.1
173.09482	0.4
173.13263	0.4
175.03944	0.6
175.11177	4.9
175.14754	0.9
177.09108	0.7
177.12657	0.5
179.10689	1.7
181.12170	0.5
185.06006	5.6
186.06291	0.5
189.12801	1.1
191.07034	1.0
191.76527	0.3
193.12262	1.5
203.14281	0.5
203.17957	5.1
205.19490	0.9
207.06511	1.2
213.16324	2.1
219.06487	3.5
221.19028	2.0
223.14862	0.8
231.17422	8.4
232.17789	1.0
237.07498	1.9
241.15997	1.0
247.05960	2.2
249.18491	11.0
259.11716	0.4
269.10324	0.4
277.17975	62.6
278.18292	4.7
280.95007	0.4
295.19037	10.6
296.19473	0.7
335.05847	0.5
337.09732	2.1
351.21625	15.7
352.21951	1.4
366.88275	0.4
369.09598	1.8
369.18994	0.5
369.23016	3.2
369.29611	3.5
387.20523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2428
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03968	4.2
55.01857	4.9
55.05524	18.8
55.11637	3.7
57.07076	14.2
57.36688	3.8
67.05517	32.7
68.00972	3.6
69.03429	5.2
69.07082	25.1
72.12603	3.5
79.05488	27.9
81.07059	43.0
82.07366	3.9
83.05032	4.8
83.08624	14.2
85.06548	6.6
87.04483	4.0
91.05497	51.1
93.07059	51.5
95.04977	29.7
95.08617	77.8
97.06538	14.8
98.22705	8.3
98.23383	14.0
99.04450	4.9
103.05475	6.6
105.07043	66.5
107.08609	49.6
109.06544	17.2
109.10155	34.4
111.08115	29.9
115.05495	5.6
117.07021	19.8
119.08591	100.0
119.61118	3.4
120.08928	5.0
121.06559	8.5
121.10147	54.5
123.08076	12.9
123.11713	14.0
128.06223	6.6
129.07030	19.5
130.07729	5.8
131.08563	46.5
133.06537	5.0
133.10138	53.4
135.04437	4.7
135.08055	21.2
135.11702	20.8
137.05988	77.6
137.09631	13.0
139.07573	7.9
142.07777	13.2
143.08582	31.6
144.09370	8.8
145.06503	4.6
145.10139	62.7
146.10776	4.5
147.08058	14.4
147.11702	19.2
149.09659	23.0
149.13354	4.9
155.08592	17.1
156.09360	16.3
157.10127	46.4
158.10931	15.0
159.08151	22.3
159.11700	38.9
160.12396	4.1
161.09692	6.8
161.13300	10.6
163.07596	9.2
163.11195	10.6
165.06981	7.4
165.09122	7.2
167.08621	5.6
168.09393	5.6
169.10129	20.1
170.10913	9.2
171.08022	4.7
171.11699	36.3
172.12444	7.1
173.09659	7.2
173.13239	29.9
175.11304	4.8
175.14842	44.4
177.09085	12.3
179.08572	7.2
181.10138	19.6
182.10983	7.0
183.11700	22.1
185.13271	16.4
187.11229	5.5
187.14865	28.3
188.11652	4.3
191.14255	4.5
192.09402	6.0
193.10153	7.3
195.11771	19.2
197.13297	17.1
198.13847	4.8
199.14821	18.2
201.09079	6.9
201.12767	7.2
205.15863	5.9
207.11749	6.9
209.13271	17.2
210.13945	5.0
211.11145	9.2
211.14838	15.2
213.12732	9.4
213.16283	4.9
214.13528	5.0
215.10907	5.4
223.14868	9.9
224.15627	5.4
225.12732	4.9
225.16519	5.9
229.12212	7.8
235.14874	6.2
237.16365	7.0
239.14398	5.1
241.15944	4.8
242.88037	4.1
249.16426	6.4
257.15469	11.2
265.19595	9.4
271.16861	10.0
280.21887	4.5
283.20670	4.4
333.22141	4.5
351.23145	14.2
351.27325	4.3
368.42456	10.8
369.24393	45.0
369.42984	10.4
370.17868	6.9
370.24344	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01866	4.4
55.05518	12.1
56.05821	1.5
57.07078	7.3
62.58055	1.2
67.05509	23.6
69.03428	6.7
69.07068	17.9
71.04973	3.0
71.08629	17.2
79.05486	21.1
81.03405	4.2
81.07053	36.6
81.42883	1.3
82.07381	1.4
83.04977	6.5
83.08614	4.5
85.06541	4.6
91.05482	16.5
93.07046	33.1
95.04964	11.5
95.08611	24.2
96.05730	3.8
96.08955	1.9
97.02891	13.6
97.06541	6.4
97.10170	1.9
99.08096	11.6
105.07038	14.4
107.04976	2.8
107.08585	15.8
109.06514	9.5
109.10149	7.0
110.99877	1.4
111.04456	14.6
111.08086	3.0
113.05984	4.9
117.07024	2.0
119.08569	8.9
121.06512	15.7
121.10139	18.3
123.04413	4.1
123.08070	7.2
123.11693	3.8
124.05243	2.5
124.08355	2.2
125.05991	3.7
125.09609	1.5
129.06996	2.6
131.08572	17.9
133.10167	6.5
135.04436	1.3
135.08035	2.8
135.11684	5.1
137.05945	2.7
137.09589	2.2
139.11160	3.4
143.08565	2.1
145.10106	5.2
147.08063	2.3
147.11685	3.4
149.09630	13.6
149.13249	3.3
151.07523	3.4
151.11177	6.2
157.10138	1.6
159.11661	2.2
161.09601	3.5
161.13251	2.9
163.11197	3.4
165.12778	8.9
167.10710	4.8
171.11684	2.1
175.14771	1.9
177.12778	2.3
179.14256	3.8
180.14635	2.1
181.12230	100.0
182.12601	3.3
185.13287	1.3
189.16422	1.7
191.14273	3.5
199.14813	2.0
207.17378	2.1
207.84796	1.2
235.16898	3.3
241.19492	2.5
277.21582	11.5
287.23480	2.2
305.24631	2.9
333.23816	12.8
333.27615	2.9
335.25662	6.3
351.25140	14.0
351.28256	8.7
352.25540	1.9
369.20175	3.3
369.24194	1.5
369.43076	1.4
370.17746	1.5
370.26999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
54.77446	2.7
55.01859	8.1
55.05506	26.7
57.03432	10.1
57.07083	4.9
65.03925	4.0
67.05500	79.3
69.07064	24.5
69.32556	13.2
71.04989	5.7
71.08633	36.2
72.87297	2.2
75.47708	2.2
79.05487	48.7
81.03409	18.1
81.07053	58.1
83.04990	11.2
83.08617	15.0
85.06523	5.0
90.21619	2.3
91.05481	31.0
93.07037	53.5
94.07422	2.7
95.04972	21.9
95.08604	31.5
97.06525	8.7
97.10173	15.1
99.08082	28.6
105.07024	28.9
107.04940	5.6
107.08585	34.6
109.06518	7.0
109.10145	30.3
111.08050	4.8
113.09760	2.3
117.07021	10.4
119.08586	13.8
119.49351	2.2
121.10140	17.2
123.04431	3.0
123.08115	4.7
123.11712	5.3
125.09609	15.8
128.06190	2.8
129.07021	9.4
130.04106	3.4
130.84764	2.3
131.04941	4.6
131.08578	10.3
133.06487	4.4
133.10112	16.6
135.04401	52.4
135.08049	6.7
135.11681	14.0
136.05154	3.7
137.09566	4.7
143.08563	6.8
144.99580	2.9
145.10115	6.7
147.08067	2.8
147.11668	13.4
149.13211	12.5
151.07544	17.5
151.11169	50.7
157.06511	2.7
157.10143	4.5
159.11671	5.9
160.05206	8.5
161.05978	7.5
161.13234	18.5
163.03853	4.6
163.07549	4.8
163.11212	15.2
163.14763	4.9
165.12810	7.9
171.11670	5.6
173.11758	14.4
173.13197	5.1
175.11098	2.9
175.14833	5.4
177.05441	4.2
178.06136	2.6
179.14305	19.0
185.05904	6.0
185.13275	3.6
189.09288	2.7
189.11227	11.9
189.12769	4.8
191.00127	4.3
191.07033	8.9
193.15886	2.9
203.07016	16.1
207.13739	2.7
213.05467	3.7
227.12700	11.6
231.21001	4.1
233.11815	8.1
241.19508	11.6
245.13849	9.7
253.17943	5.3
259.20639	11.9
262.09976	4.1
277.21616	100.0
278.21866	6.7
295.22583	6.8
302.09225	4.7
319.09601	6.8
320.10373	20.5
333.11182	4.5
351.12344	21.4
351.25293	63.1
352.12369	4.1
352.25723	4.8
369.12921	5.5
369.16885	5.3
369.24963	10.4
370.27170	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03948	3.0
53.90827	1.2
55.01875	3.7
55.05510	23.8
57.03451	6.3
57.07065	3.9
65.03920	2.0
67.05503	61.5
69.03426	2.4
69.07066	20.1
69.86625	3.9
71.04995	3.6
71.08630	39.4
77.03903	1.5
79.05492	51.4
81.03422	6.8
81.07056	57.3
81.49627	1.1
83.05004	10.2
83.08621	14.1
83.88688	1.2
85.06544	3.5
91.05479	31.6
93.07046	64.6
95.04974	13.3
95.08603	40.4
97.06538	11.3
97.10190	8.5
98.22732	2.2
99.04424	1.3
99.08089	30.1
105.07021	23.9
107.04964	6.6
107.08589	41.5
108.08896	1.8
109.06524	5.6
109.10147	20.8
111.08105	2.4
113.09650	3.3
117.07028	6.1
119.08589	19.4
121.06535	2.1
121.10152	29.0
123.08056	3.8
123.11720	3.7
125.09623	5.7
129.07011	1.9
131.08539	6.9
133.10106	14.6
135.04453	1.5
135.08069	3.1
135.11690	37.0
137.09599	2.7
141.09090	3.2
143.08562	3.4
145.10104	4.8
147.11671	8.2
149.09602	3.6
149.13246	11.7
151.11191	14.8
151.69537	1.4
157.10091	1.9
159.11688	5.1
161.13235	14.5
163.11209	7.4
163.14793	1.9
165.12784	8.7
167.10686	2.6
171.11713	2.2
173.11827	2.0
173.13263	2.6
175.14899	3.5
177.12756	4.1
179.14305	100.0
180.14648	4.2
181.12234	4.1
185.13231	2.8
189.11180	4.5
189.12770	2.6
199.14839	2.2
213.16364	1.8
215.17819	1.6
221.15408	2.7
227.12866	3.8
235.16978	4.4
237.11206	1.6
241.19394	3.5
259.20609	12.5
277.21616	67.6
278.22031	4.1
289.21536	2.5
293.17657	1.6
307.22644	2.1
333.24167	2.5
351.25290	74.8
352.25711	7.2
369.20160	4.4
369.26569	1.7
369.31781	1.9
370.17780	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Carboprost
Peak:m/z	Relative Intensity
51.72495	1.3
53.03945	15.6
55.01867	6.3
55.05512	19.6
57.03431	4.1
57.07076	3.7
59.05013	1.8
65.03940	1.4
67.05502	49.7
67.37543	1.2
68.05812	1.3
69.03442	2.2
69.07064	33.3
70.71446	2.2
71.04991	1.8
71.08633	4.5
74.39291	1.3
79.05492	29.2
80.53104	1.2
81.03416	58.8
81.07056	45.4
81.47049	1.1
83.04981	15.7
83.08624	7.1
85.06561	1.6
85.10210	3.3
91.05482	18.4
93.07044	32.3
95.04964	38.4
95.08601	19.9
97.06523	3.1
97.10156	6.5
99.07447	1.2
99.08080	3.0
105.07026	18.1
107.04987	1.9
107.08590	21.4
109.06533	7.3
109.10148	16.9
111.08089	3.1
117.07019	4.2
119.08600	10.3
121.06520	1.8
121.10144	8.7
123.08080	4.1
123.11742	5.7
125.09618	6.8
129.07013	2.3
131.08586	5.9
133.10156	14.5
135.08070	3.9
135.11682	8.6
145.10126	2.4
147.08066	2.1
147.11671	8.8
149.09663	2.6
149.13275	5.2
151.11176	35.7
153.09109	2.4
157.10208	2.1
161.09694	2.0
161.13264	9.1
163.14871	5.5
165.12759	10.6
167.10666	1.4
171.10252	2.4
171.11665	3.3
175.11189	2.6
175.14832	3.6
177.12770	1.9
179.10797	1.5
179.14340	6.4
181.12274	2.4
185.13344	1.6
189.11223	3.4
189.12798	1.6
189.61044	1.5
193.12173	2.7
207.10141	1.9
207.13811	5.0
217.19527	1.6
221.15326	1.8
231.21046	9.9
241.19539	4.9
249.22134	4.3
259.20560	7.1
277.21616	100.0
278.21997	6.0
351.25269	58.9
351.29630	2.6
352.25735	5.4
369.12936	1.7
369.23990	2.0
370.27454	4.3
380.02661	1.3
394.41687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01870	4.8
55.05511	31.6
57.03424	7.3
57.07076	8.2
60.42480	2.4
60.52970	2.2
67.05503	75.2
68.05832	3.1
69.07072	24.6
71.04985	4.4
71.08631	52.2
79.05489	41.6
81.03415	16.9
81.07054	60.7
83.04974	12.4
83.08609	16.1
85.06528	6.3
90.63207	2.2
91.05474	36.5
93.06454	2.9
93.07037	59.7
93.07609	4.2
95.04975	18.1
95.08607	37.5
97.06527	10.8
97.10165	11.9
99.08083	42.5
105.04562	2.5
105.07027	29.7
107.04946	6.3
107.08591	42.0
109.06516	9.3
109.10145	19.4
110.48399	2.2
111.08067	7.2
117.07003	9.1
119.08591	21.5
121.06516	3.3
121.10160	15.0
123.08030	5.0
123.11710	7.4
125.09660	13.1
129.07031	6.7
131.08580	10.3
133.10149	19.5
135.04448	2.6
135.08041	3.9
135.11674	20.7
137.05968	6.7
137.09598	2.8
137.13264	4.3
139.07555	3.7
142.98041	2.6
143.08510	7.2
145.10104	7.6
147.11707	16.5
149.09619	2.5
149.13252	11.7
151.07587	3.6
151.11165	53.4
157.10109	5.9
159.11659	5.9
161.09732	2.8
161.13269	20.8
163.11183	15.1
163.14795	4.4
165.12747	5.7
166.06079	3.0
167.06927	2.4
169.12129	2.7
171.11690	4.5
173.11742	14.9
173.13235	5.9
175.14799	5.9
177.09099	3.9
177.12714	4.1
179.14287	17.6
181.08524	2.6
183.11664	2.5
185.13272	7.7
189.11200	12.6
189.12726	4.0
193.12148	2.9
193.15889	2.6
196.94781	2.2
199.14903	4.0
213.16365	2.6
227.12764	14.6
231.20935	3.4
241.19545	10.1
245.13838	8.1
253.17961	5.6
259.20584	11.5
269.17477	7.2
277.18192	7.2
277.21591	100.0
278.22064	5.3
337.13715	4.0
338.14581	2.7
351.25278	62.9
352.25751	5.4
369.16577	6.4
369.25687	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21029	0.7
55.01873	0.8
55.05496	2.7
56.96568	1.3
58.06583	0.9
59.59765	0.6
67.05496	3.2
69.07063	2.3
70.45576	1.5
72.04514	0.7
72.08115	0.7
74.06062	1.7
79.05491	4.0
81.07058	3.5
83.08609	1.2
91.05453	3.4
93.07032	2.4
94.06541	0.8
95.04954	2.4
95.08609	1.7
97.10148	1.3
98.68467	0.6
100.07607	1.2
105.07005	3.7
107.04972	0.8
107.08574	2.5
108.05766	1.1
109.10123	0.9
114.09116	0.9
115.05450	1.0
117.07007	1.0
119.08572	3.8
121.10150	0.9
125.09615	2.0
128.06212	0.7
129.06996	2.1
131.08545	1.9
133.06544	1.1
133.10110	1.7
135.04393	4.0
135.08022	0.9
136.04706	1.0
138.09109	1.2
140.10675	1.2
145.06543	0.9
145.10101	2.2
151.07541	19.2
155.04912	1.0
161.05928	1.2
162.06169	0.8
173.05951	0.7
177.09091	1.0
181.08527	1.8
182.08929	1.3
185.05969	100.0
186.06355	4.5
189.09131	1.3
189.11214	1.7
199.03909	2.6
208.10617	1.0
229.04971	25.7
229.07396	2.2
230.05435	1.2
230.07758	0.9
248.44702	0.7
257.18942	0.8
264.15784	0.7
278.21103	2.4
292.22668	2.7
303.16037	0.7
352.18671	0.9
352.25079	2.0
355.14935	1.6
369.22620	8.0
370.17206	4.3
370.22787	9.9
370.27075	2.7
371.18396	3.3
371.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1757
Annotation	(+)-Calcaridine A
Peak:m/z	Relative Intensity
50.01395	0.0
50.01602	0.1
51.02394	0.2
52.03165	0.1
53.00289	0.0
53.03928	0.2
55.01854	0.3
57.03435	0.0
57.80799	0.0
63.02083	0.0
63.02385	0.1
65.03907	0.3
66.04716	0.1
67.01874	0.0
67.05486	0.3
67.05763	0.0
68.99786	0.1
69.03417	0.1
71.04977	0.0
75.02383	0.1
75.04464	0.1
76.03140	0.0
77.03876	0.4
78.04677	0.4
78.05031	0.0
78.39680	0.0
78.79717	0.0
79.05483	2.0
80.06252	0.1
81.03391	0.1
81.07052	0.4
85.02909	0.1
89.03938	0.1
90.04673	0.1
91.05470	5.7
92.05788	0.1
92.06257	0.3
93.03392	0.1
93.07033	2.2
94.04187	0.2
94.07334	0.0
95.04375	0.1
95.04955	1.2
95.08610	0.2
96.05748	0.0
97.06538	0.1
98.45969	0.0
99.04387	0.0
102.04640	0.2
102.99098	0.0
103.05453	4.2
104.05645	0.0
104.06278	0.5
104.43769	0.0
105.03393	0.4
105.04524	0.4
105.07018	5.4
106.04179	0.2
106.07288	0.1
106.07896	0.1
107.04942	3.6
107.08587	0.3
108.05755	0.8
109.06504	1.6
109.07268	0.1
110.03641	0.1
111.04427	0.1
111.08052	0.1
115.05434	3.3
116.06261	0.6
117.07006	4.1
118.04145	0.5
118.07285	0.1
119.04934	2.0
119.05996	0.1
119.08571	0.5
120.05724	0.8
121.06490	8.7
122.03664	0.3
122.07371	0.6
123.04424	0.7
123.08060	1.2
124.05183	0.5
124.08806	0.0
125.05983	1.4
125.09592	0.0
127.05430	0.2
127.07478	0.0
128.06197	1.6
129.06990	2.6
130.04120	0.3
130.07852	0.2
131.04915	5.4
131.08549	2.8
132.05728	0.8
132.08897	0.1
133.02846	0.4
133.06473	7.9
134.03616	0.1
134.07307	0.8
135.04393	1.1
135.08037	5.0
136.05191	1.4
136.08322	0.1
137.05959	6.7
137.09554	0.1
138.03125	0.1
138.06772	1.0
139.07526	1.7
140.06204	0.1
140.08263	0.0
141.06973	1.1
142.04166	0.1
142.07724	0.1
143.04906	1.6
143.06030	0.4
143.08556	0.5
144.05688	2.6
145.06465	10.3
146.03560	0.1
146.07266	3.0
147.04398	2.2
147.08029	4.9
148.05173	0.6
148.08401	0.2
149.05962	5.2
149.09583	0.3
150.06747	4.0
151.04002	0.5
151.07521	15.6
152.04686	0.4
152.08270	1.0
153.05447	3.1
153.06384	0.1
153.09071	1.4
154.06081	0.1
154.09412	0.1
155.04897	0.1
155.06007	1.4
155.06952	0.1
156.05661	1.0
156.07719	0.0
157.06473	2.4
158.05359	0.1
158.07254	3.2
159.04407	1.3
159.08029	7.6
160.05183	1.0
160.08453	0.4
161.05957	12.0
161.09531	0.3
162.06740	2.2
163.07521	8.8
164.08311	6.3
165.05458	4.9
165.09087	11.7
166.06236	2.8
166.07744	0.1
166.09848	1.1
167.07014	9.3
168.07791	3.7
169.06384	0.1
169.07480	0.7
170.07169	0.2
171.04454	0.5
171.08028	7.5
172.05188	1.4
172.08797	2.3
173.05957	16.7
173.09468	0.4
174.06732	6.0
175.03918	0.1
175.07513	4.1
176.04655	0.1
176.08295	2.6
177.05670	0.8
177.09079	12.6
178.06325	0.2
178.09729	0.7
179.07010	4.8
179.10582	1.0
180.07784	7.4
181.08563	18.4
182.09320	2.4
183.08145	0.0
183.10063	0.3
184.05193	0.0
184.08897	0.1
185.05957	0.2
185.09625	0.3
186.06737	1.0
187.07512	13.9
188.04759	0.1
188.08289	10.1
189.05518	1.3
189.09067	12.1
190.06197	0.5
190.09691	0.8
191.06984	1.2
191.10617	0.4
192.07767	1.3
192.09167	0.1
193.08571	10.4
194.09326	1.7
195.10135	5.5
196.10695	0.4
199.07478	0.1
200.08252	0.1
201.05296	0.1
201.06042	0.1
201.07649	0.1
201.09079	3.1
202.09853	8.3
203.06995	2.5
203.08698	0.2
203.10611	6.1
204.07784	2.7
204.09584	0.1
204.11087	0.3
205.08562	5.9
206.09314	0.9
207.10098	2.0
208.10709	0.2
209.09479	0.0
215.08601	0.1
215.10646	0.3
216.11362	0.1
217.08514	1.0
217.12086	0.1
218.09328	2.3
219.10115	4.6
220.08728	0.1
220.10680	0.3
221.09532	0.1
223.07372	0.1
224.08322	0.1
225.09027	0.1
231.08014	0.4
231.10193	0.1
232.08725	0.2
232.10928	0.2
233.09488	0.2
233.11723	0.7
234.06731	0.1
234.10342	0.0
235.07384	0.1
235.11217	0.2
236.11858	0.1
237.09012	0.1
238.09848	0.1
239.10513	0.1
243.08034	0.0
244.08826	0.1
245.09410	0.2
246.10249	0.1
247.07402	0.1
247.11217	0.3
248.08379	0.3
248.11848	0.1
249.08904	0.2
250.09860	0.0
251.10672	0.1
252.11328	0.1
253.11902	0.0
259.07474	0.1
260.08295	0.1
261.09073	0.2
262.09900	0.2
263.07602	0.1
263.10574	0.7
264.11273	0.2
265.08582	0.1
265.12106	0.1
273.08984	0.1
274.09906	0.1
275.07220	0.1
275.10568	0.4
276.07794	0.1
276.11121	0.2
277.08850	0.3
277.12009	0.2
278.09244	0.1
278.12927	0.1
279.10028	0.2
279.13742	0.4
280.10846	0.2
280.13800	0.1
281.11783	0.1
289.12210	0.1
290.09375	0.1
291.10117	0.7
291.13089	0.1
292.10812	0.4
293.07901	0.1
293.11633	0.3
294.08939	0.1
294.12314	0.1
295.09955	0.0
295.13150	0.6
297.11362	0.1
305.11752	0.3
306.12299	0.1
307.09598	0.1
307.13208	1.3
308.10272	0.2
308.13950	0.6
309.11087	0.2
309.14584	0.1
310.11771	0.1
311.13071	0.1
321.11194	0.1
321.14764	0.4
322.11969	0.1
322.15604	0.1
323.12732	1.2
324.13388	0.5
325.10471	0.1
327.15811	0.1
337.14392	0.3
338.15140	0.5
339.15845	5.1
340.12601	0.1
340.16318	0.4
341.13940	0.1
352.16553	0.1
353.17352	0.4
355.15344	2.7
356.15735	0.2
369.16638	0.1
370.17667	100.0
371.18024	8.6
371.21613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1861
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
53.03929	1.5
55.01863	2.8
55.05505	2.8
57.55142	0.7
67.05499	6.8
69.03417	2.8
69.07069	13.9
69.80518	2.7
70.06586	4.7
74.02475	0.7
79.05486	6.2
81.03410	3.6
81.07062	7.4
83.04957	1.4
83.08620	1.1
84.08125	1.5
85.02897	6.1
86.09703	100.0
87.10037	0.8
91.05479	11.6
92.05840	1.0
93.07033	5.6
95.04977	2.3
95.08589	4.4
97.02884	2.8
97.06523	2.2
98.06042	1.2
103.05437	1.2
105.07026	14.2
107.04942	3.8
107.08610	4.0
109.02873	2.0
109.06522	2.5
109.10128	1.4
110.07179	1.0
111.04442	0.9
113.09649	1.1
115.05459	1.8
116.07104	1.1
117.07016	6.7
119.05007	2.1
119.08576	6.4
120.77444	0.8
121.06506	5.2
121.10146	3.0
123.08112	1.9
123.11784	1.0
125.07119	1.1
127.03905	2.3
128.06247	1.2
128.10674	1.6
129.07005	7.2
130.07414	0.9
131.04941	1.9
131.08563	9.2
132.08867	0.9
132.09224	1.2
132.10210	13.0
133.06490	15.0
133.10132	1.5
134.08160	2.4
135.08041	2.5
137.05972	2.7
137.09665	1.1
141.06966	1.7
143.08556	1.2
145.04971	1.1
145.06502	0.9
145.10112	3.2
147.04379	1.3
147.08055	9.7
147.11653	1.2
149.05983	2.7
149.09575	3.8
149.13248	1.0
151.03868	0.8
151.07535	1.4
151.11186	5.8
155.08514	1.6
157.06552	4.1
157.10056	0.9
158.08083	1.3
159.08018	2.5
159.11626	1.2
161.05992	9.9
163.03922	1.6
165.12727	5.8
167.07042	2.5
171.11693	1.3
172.12033	0.9
173.13228	2.6
175.07541	25.0
176.07953	1.2
177.09067	2.9
179.06982	2.4
183.11703	1.6
185.05972	2.1
187.07666	0.9
189.12691	1.3
190.13109	3.1
191.14330	1.3
192.10133	1.1
193.08626	2.4
201.12749	2.0
203.05144	1.6
203.07028	27.1
204.07321	1.3
209.15353	15.3
219.13791	1.8
220.09712	3.0
221.07996	4.5
238.10695	1.4
242.15266	0.9
246.15059	0.9
247.09842	1.0
260.16507	4.4
280.12549	1.2
288.15915	36.1
289.16400	1.8
290.14609	2.2
306.16995	37.0
307.17383	1.7
309.11475	0.9
324.18134	12.6
329.07166	1.2
334.13165	1.8
334.16760	4.0
347.08316	1.2
352.17636	10.1
352.21619	1.4
353.13724	1.2
353.20999	1.3
370.18723	1.2
370.22189	28.4
370.25888	2.1
371.12756	4.6
371.22345	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67856	0.3
54.78650	0.3
55.05504	0.4
57.03427	0.4
61.02917	0.4
65.03920	0.5
67.05503	0.5
69.03427	2.0
69.49054	0.7
69.49423	1.4
70.06590	0.8
72.04508	2.4
72.08141	0.9
72.70196	0.3
73.02905	0.4
79.05490	0.7
80.50134	0.4
81.03396	1.0
81.07044	0.5
83.08593	0.3
84.08141	0.4
85.02898	3.8
86.09695	0.4
89.03910	1.9
91.05476	4.2
92.02073	0.3
95.05020	0.3
97.02895	1.6
98.22719	0.4
100.07605	2.3
100.11218	0.3
104.47165	0.3
105.03405	1.6
105.07038	0.5
107.04950	1.4
107.08609	0.8
109.02893	0.4
109.06554	0.4
109.10164	0.3
119.04940	12.1
121.06487	0.6
125.06057	0.5
125.07076	0.8
127.03906	0.8
135.04413	51.6
136.04741	1.0
137.05965	0.8
145.04985	0.5
150.22372	0.3
167.07092	0.5
169.43961	0.3
178.12286	0.8
178.17073	0.3
195.11485	0.3
208.13319	100.0
209.13606	4.4
219.08038	0.6
250.81885	0.3
264.15851	0.6
316.08981	0.5
321.11127	0.4
339.12146	0.9
353.20633	1.2
370.15317	1.0
370.22263	0.7
370.25986	1.3
371.12885	1.4
371.16541	3.0
371.21518	0.5
371.52130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01871	4.3
55.05509	36.1
57.03413	4.1
57.07077	6.3
67.05506	67.4
69.03449	4.1
69.07065	58.5
69.75883	6.6
69.76250	10.7
71.04965	5.2
71.08632	4.3
72.04507	5.1
79.05489	54.9
81.03413	9.3
81.07052	100.0
82.07391	6.1
83.04974	15.4
83.08595	17.7
85.06536	9.6
90.90303	3.9
91.05480	45.9
93.07052	49.9
94.07405	4.5
95.04958	23.5
95.08596	48.7
97.06522	18.6
98.22788	7.2
99.08121	4.2
105.07021	51.9
107.04962	9.9
107.08593	29.3
109.06520	15.5
109.10153	18.2
111.08077	9.9
115.05441	4.3
117.07034	13.2
119.08569	39.8
121.06538	5.5
121.10126	21.6
123.08060	14.5
123.11704	11.8
125.09614	4.2
131.08556	20.5
133.10126	37.5
135.08066	8.6
135.11676	11.6
137.09615	8.3
143.08572	8.0
145.10109	16.6
147.11708	32.5
149.09642	19.0
149.13272	9.0
151.07553	3.7
151.11214	5.4
155.08600	4.8
159.11649	12.9
159.28032	3.4
161.13275	7.0
163.11156	10.7
164.08371	3.9
165.09056	4.5
171.11713	5.4
173.13249	7.0
175.11218	5.1
177.09335	4.6
177.11400	4.8
177.12755	33.1
183.11714	3.7
192.68544	3.4
193.12138	5.5
195.11732	3.6
195.13695	16.7
201.12871	4.1
221.97365	4.3
237.14630	3.9
239.18005	5.2
247.20618	6.6
257.19009	6.5
271.38376	3.9
275.20044	87.2
276.20413	6.7
278.13278	3.7
278.22006	3.6
293.17386	7.9
293.21039	10.2
370.17517	8.4
370.29446	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01867	5.1
55.05509	41.8
56.05035	4.7
57.03429	1.9
57.41722	1.5
61.74193	1.9
62.06089	7.4
67.05503	28.0
69.03424	4.6
69.07065	63.4
69.09853	7.9
69.10271	4.4
70.06580	4.9
71.01845	1.6
71.04998	4.8
72.04526	5.0
74.06073	3.5
75.02299	1.7
75.17212	1.5
79.05492	34.2
80.05027	15.1
81.03451	2.6
81.05791	1.8
81.07055	34.5
82.06590	3.7
83.04992	5.8
83.08619	24.6
84.08147	4.2
85.06562	1.6
86.09724	3.3
88.07614	3.0
91.05473	24.8
93.05741	1.7
93.07045	22.8
94.06569	17.9
95.04980	7.4
95.07354	4.3
95.08620	20.5
96.08114	2.6
97.06546	4.9
97.10167	42.6
98.09689	2.1
105.07025	24.7
106.06590	3.1
107.04942	4.9
107.08588	36.6
108.08114	4.9
109.06507	3.1
109.10143	12.3
114.08360	3.7
114.09161	51.1
117.07020	5.4
119.05003	1.9
119.08584	15.9
120.08080	2.8
121.06586	1.8
121.10146	9.7
123.08065	2.6
123.11661	1.8
125.09629	35.3
126.09990	1.9
131.08562	6.7
132.10194	86.6
133.10104	13.1
134.09644	2.2
135.08063	2.8
135.11696	3.3
137.09639	2.6
138.12779	2.1
142.12296	7.7
143.08566	4.5
143.10695	2.9
145.10120	7.0
147.11705	7.8
149.09644	7.7
149.11761	1.7
149.13174	2.0
150.12793	2.4
151.07526	4.6
153.09068	2.2
159.11716	3.9
161.13281	10.0
163.11201	3.7
165.09146	2.1
167.07028	6.6
171.10248	2.9
171.11707	2.6
172.13362	4.0
177.09096	2.1
179.14343	5.2
189.11211	50.3
195.13870	1.7
198.14915	3.3
204.13905	4.6
206.80649	1.8
207.06665	2.0
210.14828	5.6
222.14850	11.5
224.16522	2.4
228.15886	9.4
236.16368	2.2
239.17838	3.0
246.17021	10.8
251.81607	1.8
257.18964	5.3
265.09143	1.9
272.18655	2.4
274.21506	4.1
275.20059	40.7
276.20230	2.8
291.19623	2.7
292.22699	100.0
293.23178	5.1
303.09183	1.8
310.23776	2.7
310.94464	2.0
330.87500	1.8
339.12042	2.1
352.24756	10.8
370.26004	26.8
370.30557	4.1
371.14667	2.4
371.26007	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01834	1.3
55.01869	3.1
55.05513	14.3
56.05025	6.2
58.06591	3.0
60.04519	2.8
62.06081	4.4
65.76876	1.3
67.05500	14.6
68.05029	2.3
68.65781	1.3
69.03432	1.7
69.06716	1.4
69.07070	21.2
70.06598	6.6
72.04513	18.1
74.06075	13.3
79.05494	14.2
80.05000	3.7
81.03410	2.6
81.07058	22.0
82.06585	4.0
83.04980	3.0
83.08620	8.2
84.04498	6.0
85.05273	2.5
86.06081	8.8
88.07628	8.1
91.05486	9.4
93.07037	10.8
94.06561	5.4
95.04971	3.0
95.08600	11.4
95.49892	1.3
96.04494	1.5
97.06533	2.9
97.10157	9.8
98.06033	4.1
98.23618	2.6
100.07614	4.4
105.07042	11.7
107.04949	1.8
107.08607	9.6
108.08146	1.7
109.06499	2.4
109.10165	4.2
110.09674	3.4
111.08086	3.4
112.07613	3.9
114.05545	6.7
114.09206	6.7
116.07092	5.2
117.07034	1.6
119.08574	8.3
121.10128	5.2
123.11649	2.3
124.07594	2.4
125.09635	7.4
126.09144	3.0
128.07082	3.7
131.08565	3.4
132.10196	8.5
133.10138	5.9
135.08064	2.2
135.11560	1.5
136.11198	1.7
137.09645	1.4
140.07094	3.4
142.12315	2.5
145.10133	3.0
147.11685	7.4
149.09572	3.6
154.12239	4.4
159.11717	1.8
161.13287	3.7
163.11226	1.9
165.12776	3.2
166.12268	3.2
166.45406	1.3
172.13329	4.8
179.14247	2.3
184.13321	15.9
189.11247	4.9
193.12263	4.2
196.13297	2.4
198.14952	1.7
209.14063	1.5
210.14923	2.4
211.13300	14.0
216.15921	12.3
222.14905	3.7
224.16452	2.3
227.15157	1.5
228.15955	2.3
238.17984	1.7
240.16035	1.6
242.17491	2.0
246.17026	2.5
250.18021	2.1
252.15981	3.2
254.17606	3.9
258.17065	4.6
266.17529	22.4
268.10526	1.6
270.16968	11.5
272.18509	27.0
275.20074	13.6
284.18552	4.7
291.19592	2.5
292.22723	16.2
293.21317	1.5
296.18649	7.2
310.23718	7.1
334.23734	6.9
352.24811	34.8
353.25076	2.3
370.25882	100.0
371.26114	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88366	0.7
53.03946	1.1
54.17374	1.0
55.01874	1.0
55.05511	7.0
56.05029	3.3
57.07060	1.0
58.06594	1.7
59.05002	5.4
60.04522	1.3
61.04065	0.9
62.06085	11.9
67.05507	12.7
68.05021	1.6
69.03423	2.3
69.07069	13.9
70.02956	1.4
70.06601	5.1
71.04976	1.8
71.06985	1.4
72.04513	7.5
72.08154	1.4
74.06069	3.0
74.99204	0.9
79.05496	12.7
80.05014	3.5
81.03430	2.7
81.07056	34.8
82.06591	3.1
83.04977	3.6
83.08610	4.1
84.08138	2.2
85.02882	1.8
86.06052	2.1
88.07629	2.7
91.05473	5.7
91.56478	1.1
93.07037	11.1
94.06535	1.5
95.04969	3.8
95.08597	9.2
96.04500	2.0
96.08134	2.5
97.02893	3.4
97.06517	2.9
97.10166	3.2
98.06030	5.9
99.06847	2.1
99.08104	1.7
100.07623	6.3
105.07018	5.7
107.04942	2.4
107.08595	10.6
108.08133	1.0
109.06522	3.7
109.10139	10.8
110.06015	0.9
111.08061	1.0
112.07642	5.7
114.05519	5.0
114.09197	1.8
115.11221	1.5
117.07009	1.7
119.08584	7.5
120.08076	1.1
121.06425	0.9
121.10111	5.6
122.06007	1.8
122.09653	1.0
123.08080	4.1
123.11709	1.6
124.07603	1.3
125.09643	4.8
126.09118	1.1
130.08647	1.1
131.00526	0.9
131.08588	1.9
133.10121	2.6
135.08060	1.1
135.11685	9.2
137.05978	1.0
137.09622	2.2
138.12784	2.0
140.07056	1.3
145.10129	1.9
147.08070	1.3
147.11697	2.7
149.09607	1.4
151.03918	2.4
151.07594	1.3
151.14815	1.9
154.12271	1.0
157.10188	1.2
159.08026	0.9
163.11255	1.2
165.12766	1.4
168.13902	2.3
175.11169	0.9
175.14819	3.5
180.13853	2.4
182.15405	3.5
191.16435	1.8
192.13756	1.2
193.12177	1.1
193.15846	4.3
196.13345	1.7
198.14816	1.9
210.14883	23.9
211.13333	1.4
211.15193	1.6
211.16911	6.2
216.15941	3.9
223.13341	1.5
226.18098	2.0
228.15933	69.2
229.16290	2.9
230.17476	2.9
242.17627	3.2
244.19005	5.4
246.17003	16.4
252.15926	4.8
273.18423	4.5
283.76041	1.0
291.16321	1.3
291.19519	22.1
292.19943	1.3
309.20996	1.1
324.25266	5.2
334.24042	1.1
352.24805	11.1
370.25870	100.0
371.26221	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
60.70103	0.2
67.05491	1.4
69.07079	1.0
71.04985	0.5
79.05486	0.3
81.07063	1.8
82.69169	0.2
83.08601	0.4
85.06550	0.2
91.05466	0.5
93.07043	0.4
95.08598	0.8
96.74843	0.2
98.23444	0.5
99.96375	0.3
104.20271	0.2
105.07008	0.4
107.08594	0.4
109.10138	0.4
117.06922	0.3
118.06560	0.3
119.08530	0.3
121.10120	0.2
130.06514	0.5
131.07304	1.8
132.08092	0.8
143.07294	0.7
144.08070	1.8
145.08842	0.8
146.09616	1.1
155.07373	0.3
156.08047	1.2
157.08882	1.4
158.09669	1.4
159.10416	1.6
160.11198	5.7
161.11723	0.4
168.08073	0.3
169.08804	0.6
170.09647	2.7
171.10403	1.1
172.11206	8.0
173.11986	1.1
174.12794	1.7
178.40233	0.2
182.09721	0.4
183.10475	0.5
184.11203	4.1
185.11871	1.2
186.12775	2.6
188.14354	2.7
196.11174	0.3
197.11958	0.4
198.12759	5.4
199.13423	0.7
200.14288	1.9
201.14713	0.4
202.15918	1.1
210.12807	0.4
211.13622	0.3
212.12419	0.4
212.14336	5.5
213.14778	0.5
214.15872	2.5
224.14438	0.3
226.15880	3.2
227.16568	0.3
228.17490	0.8
237.06740	0.2
240.17349	1.3
254.19048	0.5
263.52838	0.2
268.20636	0.3
294.18503	0.4
312.19632	0.9
322.21640	0.5
324.26791	0.9
326.21201	0.9
327.21768	0.4
328.22842	0.3
340.22504	1.0
352.26331	7.7
353.26709	0.9
370.27383	100.0
371.27731	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.2
57.07081	7.5
62.06106	7.7
70.06601	20.3
78.79769	6.6
79.70970	6.9
84.04501	15.3
84.08144	32.4
85.02917	9.3
86.09701	21.7
98.97594	13.2
101.06046	10.1
110.07166	10.7
115.05767	6.8
129.05489	25.4
130.05794	8.9
130.08723	7.8
140.91104	6.4
146.06049	12.1
147.04410	9.3
147.06566	15.4
147.11301	9.3
153.74054	6.9
163.03961	13.9
187.10782	10.3
214.36581	6.2
371.07208	100.0
371.12958	29.8
371.17767	9.2
371.22708	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29059	0.6
51.65999	0.6
54.10928	0.5
54.96307	0.5
55.05512	0.8
61.04038	0.9
71.14792	0.5
71.46014	0.6
81.07015	0.9
83.05019	0.8
91.05459	0.6
99.49157	0.6
109.06497	0.8
119.08591	0.7
131.04887	0.5
137.06033	0.8
151.11153	1.0
156.05748	0.7
167.07050	1.3
175.03918	0.8
177.04395	0.6
191.14226	0.7
207.06480	2.1
209.07002	1.6
209.15349	0.6
217.08586	0.8
271.04193	0.9
285.12967	2.2
303.12750	0.6
327.14139	17.0
328.14478	1.5
353.13785	1.4
371.13080	100.0
372.13486	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67067	0.6
53.02570	0.6
53.53007	0.6
69.03426	1.3
70.06577	0.7
72.08151	1.3
79.05499	0.6
81.03411	0.8
81.04523	1.6
84.04498	1.2
84.08147	1.4
85.02905	2.9
86.09679	1.2
91.05466	0.8
95.08590	0.7
97.02900	1.5
105.07059	0.8
118.06536	1.7
122.57574	0.7
123.00109	0.6
125.06210	0.7
125.07120	4.1
127.03988	0.7
131.08536	1.0
137.05981	2.3
141.21785	0.7
143.08154	2.0
146.06004	100.0
147.06351	3.0
149.09612	0.9
167.07045	1.3
192.06546	61.8
193.06873	2.5
209.11754	0.9
217.08592	1.6
247.09692	0.8
249.09032	1.4
321.11588	0.7
326.11612	0.7
353.14023	1.3
353.20560	3.8
371.12695	1.0
371.16711	11.7
371.21671	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.90113	0.8
55.01865	1.3
55.05505	1.8
61.04058	12.8
62.06089	1.0
67.05499	4.3
69.07056	1.7
70.06592	1.0
79.05496	2.6
81.03439	1.0
81.07063	5.9
83.04969	1.1
84.08141	1.0
91.05473	3.6
93.07026	3.0
95.04965	1.0
95.08587	2.5
97.02866	0.8
97.06527	1.9
101.06078	0.8
103.05438	1.1
104.28703	1.0
105.07034	2.7
107.04925	3.2
107.08577	2.5
109.06533	1.1
109.10143	3.2
111.04405	1.1
111.57098	0.9
112.07568	0.9
115.05408	1.1
116.04541	1.4
117.07043	1.6
118.76141	0.8
118.76997	0.8
119.04950	1.3
119.08562	2.4
121.02930	0.8
121.06467	2.1
121.10164	1.8
122.03664	1.7
124.07591	1.1
125.05938	0.9
129.05418	1.1
129.06981	1.5
130.04128	0.9
131.04909	3.1
131.08549	1.7
133.06474	2.7
133.10153	2.7
135.11668	2.3
136.05119	0.9
137.05986	17.0
144.05673	1.2
145.06454	2.1
145.10147	1.3
147.04388	1.2
147.11609	1.0
149.02301	4.3
149.09546	1.0
149.13318	1.3
150.79089	0.8
151.03877	1.6
151.07532	3.0
155.06245	0.9
157.06476	1.1
159.08096	2.1
159.11717	1.1
161.05962	2.7
163.07501	3.3
164.60249	0.8
165.06937	2.0
165.09029	1.4
166.06239	2.6
166.07678	1.7
167.07021	3.8
173.05968	1.2
175.07516	1.8
177.05444	1.0
177.09116	2.4
178.07774	1.8
179.08501	1.3
181.06619	1.8
181.08556	6.9
187.07530	1.4
191.08562	1.8
191.14360	1.4
192.07790	1.2
193.06398	1.3
193.08537	1.7
194.07281	2.8
195.08025	2.0
195.13818	1.5
203.08591	1.2
205.06534	1.8
205.08508	1.0
206.00699	0.8
206.07248	3.1
207.08093	2.8
207.10059	1.2
208.08711	1.1
209.05898	1.2
209.09637	1.3
215.08694	1.2
217.06630	0.9
217.08563	3.3
218.07259	2.5
219.08063	2.6
219.10037	1.3
221.05930	3.5
221.09592	1.6
222.06721	4.7
223.07515	3.6
224.08284	2.4
225.09039	1.0
228.15900	2.5
231.08044	2.0
232.08665	1.9
233.09526	1.8
233.11853	1.2
234.06717	3.8
235.07576	5.9
236.08305	4.6
237.05441	2.4
237.09137	2.8
239.06985	1.0
246.16830	1.0
247.07545	1.3
248.08270	1.6
249.09079	15.7
250.06195	3.3
250.09721	3.6
251.07117	4.3
251.09294	0.9
252.07872	12.5
253.08400	2.4
260.08450	1.4
261.09128	2.3
262.10025	1.0
263.07028	2.5
264.07779	5.6
265.04785	1.6
265.08640	15.9
265.15573	1.1
266.09415	9.3
267.06470	0.9
267.10043	1.9
277.08588	4.8
278.09277	4.2
279.06479	1.0
279.10068	0.9
280.07343	11.6
280.10522	1.7
281.08069	4.6
283.13257	1.1
293.07986	3.0
293.11633	14.5
293.14896	6.0
294.08658	1.5
294.11957	0.9
295.09637	5.0
296.10428	10.1
306.08875	1.0
307.09409	1.0
309.11136	3.5
310.17538	5.7
311.12845	9.8
313.10565	1.1
321.11230	7.1
324.09784	1.6
327.12280	0.9
329.05798	0.9
338.11380	1.0
339.12274	100.0
340.12778	12.2
340.16727	1.5
347.06674	1.5
353.13748	3.4
353.17764	1.2
356.16055	3.9
370.25717	1.6
371.14761	47.7
371.18402	4.3
371.25714	4.4
372.15036	4.3
372.27359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1595
Annotation	thioridazine
Peak:m/z	Relative Intensity
52.44857	1.4
55.05500	4.2
67.05505	7.0
69.03408	1.7
69.07052	4.0
71.08622	4.4
79.05476	5.2
79.83808	1.4
81.07047	11.1
83.08591	3.0
85.10224	1.6
91.05465	4.6
93.07036	4.6
95.04950	1.8
95.08587	6.2
97.06543	2.1
99.08101	2.7
105.06998	3.2
107.04912	2.3
107.08568	2.6
109.10153	1.6
113.09618	4.4
117.07021	2.2
119.08569	2.7
123.07967	1.7
123.11694	1.5
129.06964	1.7
131.04877	2.0
131.08554	2.0
133.10121	2.7
135.04388	5.5
135.11670	2.1
136.05260	1.5
137.05943	2.6
145.28488	1.4
146.34204	1.3
147.04405	2.2
147.06543	1.4
147.11632	2.0
149.06007	1.7
151.07535	12.5
153.05452	1.7
161.13162	1.5
163.07526	4.2
165.09088	2.8
167.07036	7.4
173.05971	1.9
174.06631	1.3
174.45897	1.4
177.05440	5.3
177.09074	3.5
178.06000	6.5
179.06613	4.9
181.08525	1.7
183.06552	2.1
189.09076	3.3
189.99117	2.8
191.07051	1.6
201.09036	2.4
208.00226	1.9
233.11693	6.6
234.12073	16.5
249.20969	1.7
279.23135	4.4
291.08749	2.0
305.10391	2.0
325.14221	3.5
331.15567	5.8
334.07141	2.8
339.15851	3.0
349.16812	7.2
353.26489	2.8
360.99927	1.7
371.15689	100.0
372.15903	6.7
389.16125	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1621
Annotation	thioridazine
Peak:m/z	Relative Intensity
57.07077	7.6
79.05493	7.4
81.07021	5.6
102.16486	5.3
131.66603	5.2
133.06377	5.2
135.04424	6.7
136.04761	8.4
165.09160	10.8
177.09016	5.3
179.64272	5.8
181.08553	5.7
182.09041	9.3
268.26346	42.5
371.16238	100.0
371.26044	5.0
372.16461	6.4
388.51541	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1621
Annotation	thioridazine
Peak:m/z	Relative Intensity
57.07077	7.6
79.05493	7.4
81.07021	5.6
102.16486	5.3
131.66603	5.2
133.06377	5.2
135.04424	6.7
136.04761	8.4
165.09160	10.8
177.09016	5.3
179.64272	5.8
181.08553	5.7
182.09041	9.3
268.26346	42.5
371.16238	100.0
371.26044	5.0
372.16461	6.4
388.51541	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
58.34000	0.3
69.37683	1.6
76.61741	0.3
85.02913	0.3
91.05437	0.3
95.08592	0.4
97.07723	0.4
105.07040	0.3
107.08546	0.3
107.14625	0.3
125.07104	1.5
127.36452	0.3
129.05515	0.3
133.10147	0.5
135.11589	0.3
141.06551	0.4
143.08136	0.4
178.39645	0.3
184.79921	0.3
237.26335	0.3
273.03043	0.3
330.51163	0.3
339.08783	0.4
353.20636	2.9
371.16763	100.0
372.17068	6.2
385.73749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
57.07064	0.6
61.97472	1.5
62.98256	2.7
67.05497	2.0
69.07059	1.2
71.08652	0.9
72.86880	0.5
77.96948	3.8
79.05480	1.6
79.42339	0.6
81.07066	1.3
83.04992	1.0
83.08630	0.9
89.96968	1.3
91.05480	1.6
93.07054	1.0
95.08638	0.9
103.98491	6.1
105.07024	1.6
107.04969	2.7
107.08611	0.9
108.05740	0.9
109.06483	0.9
109.10173	0.7
116.99262	6.8
117.07036	0.7
119.08578	0.9
121.06477	0.8
131.00804	1.8
133.10069	0.6
135.04420	0.9
136.05234	1.1
137.06012	3.4
145.02408	2.0
151.07549	30.8
152.07893	1.1
157.06563	0.6
159.03984	1.2
160.04680	0.8
161.05986	1.6
164.13284	0.7
172.08835	0.7
173.05505	12.6
175.07593	0.7
176.08325	4.0
177.05551	1.1
177.09085	2.1
187.07184	1.3
188.04231	0.8
188.07982	1.4
189.09157	1.0
196.81088	0.6
203.07011	0.6
203.10748	1.4
213.05458	0.7
217.08177	0.9
219.10237	3.2
230.08844	1.8
243.09724	2.7
247.09679	2.5
257.11331	1.2
267.09845	0.7
275.10715	0.8
283.12689	1.4
284.09885	3.2
289.13898	1.3
294.12201	0.9
301.10211	1.9
302.11060	1.5
313.14069	0.7
321.11337	1.8
331.18784	1.5
335.12643	1.1
335.16074	0.8
336.25485	0.7
353.17105	17.2
354.17557	1.0
371.18076	100.0
372.18216	7.5
372.25247	0.9
384.86115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1852
Annotation	(3R)-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-7-ol
Peak:m/z	Relative Intensity
55.01860	0.7
56.96557	0.3
65.03925	0.6
66.04732	0.3
67.05487	1.0
67.48260	0.2
69.98453	0.7
73.22799	0.3
75.04456	0.3
75.38730	0.3
75.60246	0.3
77.03922	0.7
78.04701	1.5
79.05105	0.3
79.05495	3.4
80.06258	0.3
81.07034	1.1
84.63544	0.2
90.04714	0.3
91.05476	6.6
92.05762	0.3
93.07047	1.9
94.04156	0.9
95.04961	1.7
95.08567	0.8
97.06512	0.4
98.23392	0.3
103.05466	5.6
103.59297	0.2
105.03355	1.0
105.04505	0.6
105.07018	3.5
106.04187	1.8
107.04943	8.0
107.08571	0.6
108.05765	2.1
109.06522	2.8
109.10166	0.3
115.05435	2.6
117.07013	2.5
119.04942	1.3
119.06030	0.4
119.08564	0.6
120.05704	1.0
121.06501	8.4
122.03637	1.6
122.07256	0.6
123.04435	2.9
123.08063	3.9
124.05228	2.1
125.05958	0.5
128.06209	1.0
129.05495	0.4
129.07007	1.9
131.04918	5.9
131.08565	0.4
132.05678	0.4
133.06482	4.7
134.03625	2.9
134.07268	0.5
135.04414	2.9
135.05414	0.4
135.08035	4.0
136.05194	11.6
137.05972	24.2
138.06310	0.6
139.07530	2.8
141.06987	0.9
143.04936	1.5
143.08556	0.6
144.05672	1.0
145.06483	3.9
146.07263	6.5
147.04387	0.9
147.08034	3.0
148.05223	1.3
149.05988	2.5
149.09618	0.5
150.06747	7.8
151.03932	1.5
151.07532	83.3
152.04688	5.1
152.07860	2.8
153.05418	1.1
153.06664	0.2
153.09047	0.6
156.05670	1.0
157.06477	3.0
158.07266	2.7
159.04402	1.1
159.08066	2.0
160.05193	1.2
160.08678	0.6
161.06023	2.3
162.06760	1.4
163.07530	27.9
164.08150	1.4
165.05502	1.0
165.09111	28.8
166.06250	9.9
166.09468	1.1
167.07025	54.1
168.07538	1.4
169.06447	0.8
169.08620	1.2
170.07211	0.3
171.08011	2.2
172.05154	0.6
172.08797	0.8
173.05963	3.9
173.09657	0.6
174.06767	5.2
175.07529	8.2
176.08281	2.0
177.09097	35.1
178.09421	1.3
179.06973	1.3
180.07809	1.7
181.08583	23.6
182.09152	1.1
184.08775	0.4
186.06738	1.6
187.07532	8.0
188.08293	3.7
189.09093	12.8
190.09666	1.0
191.07033	0.9
191.10597	1.3
192.07784	0.4
193.08575	3.4
195.10205	1.7
200.08560	0.4
201.09090	15.2
202.09831	2.6
203.07039	0.5
203.10643	3.2
204.07819	0.7
205.08603	1.2
206.09412	0.3
207.10147	3.1
215.10727	1.2
217.08540	0.8
217.12105	1.6
218.09239	0.7
219.08281	0.4
219.10019	1.7
231.08157	0.5
232.08820	0.4
233.09543	0.5
233.11694	1.1
247.11176	0.7
248.11983	0.6
249.09151	0.4
260.08313	0.4
261.09088	0.4
263.10623	0.4
264.11429	0.5
265.12119	0.8
275.10620	0.9
276.11386	0.8
277.08667	0.5
277.12216	0.6
279.10605	0.4
279.13800	1.2
291.09912	0.3
292.10971	0.7
293.11777	1.6
307.13235	3.8
308.14020	3.7
309.11240	1.0
309.14587	0.6
311.16397	0.4
324.13489	1.2
325.14322	0.7
331.15826	0.6
339.15894	20.6
340.16525	4.0
341.13571	0.4
341.17389	0.4
341.82852	0.3
349.16925	0.5
356.16132	14.9
357.12570	0.3
357.16394	1.5
369.16742	0.3
371.18573	100.0
372.18896	8.2
372.23550	0.3
389.15988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03937	1.7
55.01857	1.9
55.05501	2.1
57.03434	3.0
57.07061	0.5
59.04994	0.9
61.02922	4.2
67.05493	1.7
69.03426	12.2
69.07063	2.9
70.70708	0.5
71.04985	1.7
73.02898	1.3
78.04697	0.4
78.58466	0.5
78.77734	0.5
79.05484	1.5
81.03410	7.1
81.07054	4.1
81.30756	0.4
82.07304	0.5
83.04980	2.5
85.02901	30.8
86.09703	4.0
87.04459	1.0
87.10032	0.9
91.03949	2.0
91.05467	1.9
93.07047	2.9
95.04963	4.0
95.08612	4.2
97.02890	9.0
97.06514	0.7
98.03233	0.4
99.04433	1.5
99.08087	0.7
100.06100	0.5
101.05967	0.5
104.83587	0.5
105.07048	2.7
107.04931	0.5
107.08019	0.6
107.08603	5.6
109.02882	3.3
109.06495	4.8
109.10156	2.7
109.84588	0.5
117.07025	0.5
119.08555	2.5
121.06495	0.6
121.10140	7.6
122.07291	1.0
123.08057	5.1
123.11712	3.0
125.19207	0.5
127.03912	6.2
127.09399	0.4
131.08572	1.4
132.10252	0.6
133.10127	2.0
135.08051	1.9
135.11653	0.5
137.06001	1.0
137.09621	7.0
137.13254	1.1
145.04936	6.9
145.10146	0.7
147.11688	2.0
148.08391	0.7
149.09615	9.2
149.13237	4.7
151.11176	28.6
152.11551	1.1
158.10951	0.8
161.06036	0.6
165.12749	40.2
166.13066	1.5
167.07034	1.9
173.13257	1.2
175.07524	0.9
178.33751	0.5
187.07524	0.8
191.14308	6.3
193.15852	2.7
197.95503	0.4
204.07437	0.8
209.15358	100.0
210.15680	4.9
217.08701	0.5
289.16141	0.6
290.17517	0.7
307.17316	2.0
343.16885	0.6
353.13736	0.6
371.13156	1.4
371.21942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62136	1.6
52.20661	1.5
53.03954	2.1
55.01864	3.0
55.05509	11.0
57.03423	5.9
57.07076	5.7
59.04985	3.9
61.04049	16.5
62.06084	6.7
65.87492	1.4
67.05504	22.4
67.05831	2.9
69.03428	13.6
69.07061	17.0
69.23843	9.9
69.24178	1.6
70.06588	2.7
71.04989	4.5
71.08636	1.8
72.04507	1.9
73.02926	1.7
79.05499	9.6
81.07050	27.1
82.06597	1.9
82.07407	1.7
83.04976	12.8
83.08625	5.4
85.02917	7.3
85.03427	1.5
85.06550	4.0
86.06009	1.6
91.05482	6.9
93.07032	13.4
95.04975	3.9
95.08594	27.9
96.08875	2.7
97.02889	37.2
97.06512	3.3
97.10179	2.7
105.07027	7.6
107.04923	3.6
107.08581	24.9
109.06525	8.2
109.10147	100.0
110.10452	4.6
111.08079	4.1
115.03941	6.0
119.08579	37.8
121.10123	12.8
123.08034	13.3
123.11692	9.6
125.02319	1.7
125.09650	3.7
128.18262	1.7
129.05498	1.6
129.06995	3.1
129.80052	1.7
131.04883	2.4
131.08572	2.4
133.10120	24.1
135.04388	3.6
135.11684	98.1
136.12012	3.5
137.05963	12.6
137.09602	18.9
139.11168	3.6
142.21877	1.7
143.03445	3.3
145.10106	1.9
147.06567	2.1
147.08032	1.8
147.11684	3.4
149.13278	8.8
151.03908	7.4
151.07483	2.5
151.11192	11.0
151.14827	12.4
153.06554	1.7
153.12753	3.3
156.05724	2.0
159.08040	3.7
161.04468	2.6
161.05972	1.7
165.16357	2.3
167.07011	9.8
175.07561	3.3
175.14815	35.9
177.05412	1.8
177.09238	1.6
187.07555	3.3
189.08987	2.7
191.07008	3.7
193.14117	2.6
193.15868	49.5
194.16287	3.2
195.13824	1.5
210.14935	4.3
211.15211	2.7
211.16922	72.8
212.17313	2.0
214.60381	1.7
217.08592	6.6
228.15906	7.3
229.16301	8.4
239.16447	7.4
239.56079	1.8
247.09660	4.2
247.17340	3.1
249.09135	3.1
261.09180	2.6
263.06848	2.0
277.08649	2.1
278.09357	2.0
285.07581	2.3
292.19815	5.1
293.12018	2.3
293.14923	9.9
299.11807	2.7
300.09891	3.0
301.10739	2.2
309.11197	2.7
310.17630	5.5
321.11484	2.4
339.12146	2.3
353.10056	2.4
353.13898	7.2
353.24686	2.5
354.25937	1.9
371.14874	5.1
371.26151	23.2
372.27069	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.2
59.04980	2.3
67.02959	2.0
67.05499	8.2
69.03435	14.8
69.07069	10.4
69.75170	3.7
71.04996	5.4
79.05481	5.9
81.03404	3.8
81.07067	12.8
83.04980	14.2
83.08633	2.5
85.02905	11.0
85.06537	2.1
91.03962	2.1
91.05485	5.3
93.07040	9.1
95.04960	5.0
95.08601	25.5
97.02859	2.6
97.06534	5.1
99.08093	4.0
105.07029	9.5
107.08583	37.1
109.06508	9.3
109.10157	19.8
111.08059	2.0
119.08574	2.8
121.06528	4.9
121.10140	41.7
123.08080	6.0
123.11673	2.6
125.09626	14.1
131.08580	4.4
133.10126	13.5
135.08076	11.3
135.11673	6.1
137.05966	2.4
137.09612	7.8
139.11179	7.0
145.04901	2.2
147.11661	12.1
148.12000	2.3
149.09583	11.3
149.13243	24.4
150.52969	1.9
151.11171	100.0
152.11508	3.2
158.10902	3.0
163.14801	15.8
165.12755	11.0
173.13214	16.1
191.14297	97.3
192.14658	8.1
198.83121	2.2
203.77951	2.0
209.15366	76.3
210.15669	6.1
231.22372	2.1
300.67520	2.7
371.14011	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01859	1.9
55.05502	1.8
57.03444	1.8
59.05007	1.3
61.02922	3.3
62.27012	0.9
67.05498	2.4
69.03432	12.5
69.07063	1.9
70.06596	2.9
70.61278	1.3
71.04984	1.7
73.02905	1.3
79.05486	2.2
81.03432	8.0
81.04550	4.7
81.07041	4.6
83.04986	2.0
85.02906	29.6
86.09714	2.7
87.04484	1.1
91.03979	1.9
91.05485	3.3
93.07046	3.9
95.04987	3.7
95.08624	4.2
97.02894	9.0
99.04462	2.2
99.08098	1.2
105.07044	3.5
107.08607	6.5
109.02906	3.4
109.06511	6.5
109.10155	2.9
111.04414	0.9
112.07119	0.9
112.16656	0.9
117.07052	1.4
119.08556	1.9
121.06572	1.3
121.10159	9.0
123.08041	4.7
123.11707	1.9
125.07089	2.2
127.03925	7.6
127.05006	2.0
129.05469	1.4
131.04967	1.1
131.08592	1.8
133.10182	2.1
135.08087	1.8
135.11694	1.1
137.06012	2.5
137.09642	6.0
145.04939	9.5
145.10153	1.8
147.11674	1.1
149.09637	6.7
149.13258	4.4
151.11176	28.7
165.12747	34.4
167.07045	1.9
173.13184	1.9
177.05493	1.4
185.04172	1.3
189.08897	1.1
191.14330	4.9
192.07867	2.3
193.15915	3.2
209.15364	100.0
210.15706	4.8
217.08527	1.7
253.04613	0.9
275.17465	2.7
293.18405	2.1
308.39923	0.9
339.19110	5.6
353.14026	1.0
353.20700	3.2
371.12958	2.7
371.16696	12.3
371.21921	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
56.08593	0.9
57.12137	1.0
61.04060	3.1
65.32619	0.9
67.05497	3.4
67.43281	0.9
69.03445	4.3
69.07072	1.9
70.73257	0.9
71.44962	0.9
74.04794	1.0
76.19807	0.9
79.05500	4.4
81.07071	6.8
83.04980	1.2
83.08633	2.0
85.02908	1.8
85.06505	1.1
91.05495	4.3
93.07063	1.8
95.04976	1.4
95.08638	1.7
103.05492	2.3
105.07052	3.7
107.04968	2.9
107.08604	14.5
109.06544	3.0
109.10161	6.0
115.05501	1.4
116.27175	1.0
116.50275	1.0
117.07036	2.3
117.67287	0.9
119.08587	2.0
121.06499	1.1
121.10163	10.6
122.03663	1.1
122.07311	4.0
123.08025	1.1
131.04973	1.8
131.08575	2.4
133.10141	100.0
134.10475	4.0
135.08061	11.2
135.11703	2.2
137.06009	4.9
137.09628	64.6
138.10020	1.6
140.26488	1.2
145.10114	1.3
147.11758	1.6
149.09621	1.0
149.13268	9.1
151.07561	3.2
151.11250	1.0
156.05676	1.3
163.07565	2.2
163.14850	2.2
167.07063	4.4
173.13301	5.6
177.09152	2.8
185.64386	1.0
187.07547	1.4
189.09174	1.0
191.14319	41.9
192.14688	1.4
209.15405	4.1
211.16974	1.1
217.08681	4.0
249.09145	1.2
253.45050	1.2
261.09097	1.1
289.08679	1.0
293.11819	1.6
293.14975	2.4
301.10706	1.3
326.11588	0.9
339.16025	1.1
353.13849	2.4
371.14728	3.0
371.26318	1.1
386.77823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.7
55.01876	2.5
55.05511	23.3
56.52432	2.2
57.03451	8.7
57.07071	7.1
67.05502	56.5
67.73112	2.1
69.03422	2.0
69.07067	27.9
69.07439	2.4
69.30840	10.1
71.04987	5.4
71.08629	100.0
79.05486	35.5
81.07054	82.8
82.07384	3.2
83.04981	6.8
83.08623	20.8
85.06531	3.6
87.04478	3.0
88.07621	4.8
91.05472	28.1
93.07039	30.8
95.04980	5.7
95.08601	59.0
95.09210	3.2
97.06512	9.2
97.10158	10.4
99.08089	90.0
105.04506	2.2
105.07026	25.0
107.04946	1.9
107.08590	23.9
109.06544	4.3
109.10149	26.7
111.08092	5.3
111.11723	3.3
113.09607	1.9
117.07002	5.6
119.08568	18.6
119.60509	1.7
121.06476	1.6
121.10129	19.0
123.08054	2.6
123.11700	8.3
125.09632	5.0
127.11187	4.9
129.06995	3.1
131.08583	16.0
133.10086	9.2
135.08067	3.1
135.11676	15.9
137.09669	2.1
137.13264	7.6
139.11191	3.4
141.12755	3.5
143.08511	3.1
145.10109	11.9
147.11679	47.8
148.12025	3.6
149.09639	3.1
149.13268	7.8
151.07526	2.6
151.11169	4.3
151.14780	3.3
153.12813	11.2
157.10162	1.9
159.11696	5.5
161.09641	2.2
161.13272	6.8
161.57930	1.8
163.11185	10.2
163.14804	23.3
165.12727	23.0
167.14357	5.6
173.11755	14.7
173.13263	9.1
175.14873	2.1
177.09059	1.9
177.12640	1.8
177.16547	2.0
179.14366	2.5
181.15863	11.1
187.14793	3.5
189.11185	3.3
191.14346	2.4
195.13762	2.9
197.04948	1.8
209.13344	2.1
209.15370	4.1
233.22568	3.8
243.21071	21.0
245.13852	2.0
251.23820	3.3
255.19531	7.3
261.22122	30.9
262.22433	2.5
279.23181	95.4
280.23502	6.6
324.32483	3.8
331.15567	2.3
349.16873	4.0
353.26901	88.8
354.27158	6.1
371.18057	2.3
371.21634	5.1
371.27356	15.3
372.34857	16.5
388.45734	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60378	1.2
53.03942	2.3
53.20951	1.1
55.01870	8.3
55.05514	49.1
55.05782	2.4
57.03440	7.3
57.07079	8.0
59.04993	3.1
64.50151	1.5
65.03941	2.9
67.05508	100.0
69.03432	3.3
69.07074	56.9
70.57822	1.2
71.04992	5.3
71.08633	6.2
79.05499	43.3
80.05805	1.3
81.03397	1.5
81.07060	95.7
82.07397	2.0
83.04984	7.6
83.08629	26.8
85.06554	8.7
85.10194	1.4
85.47360	1.6
87.04422	1.8
88.07613	1.4
91.05489	13.9
93.06454	2.0
93.07049	40.6
95.04987	4.4
95.08610	71.7
97.06525	12.3
97.10163	29.0
99.08104	3.7
105.04562	1.5
105.07029	8.8
106.01080	1.3
107.04868	1.6
107.08060	0.8
107.08598	39.4
109.06503	5.3
109.10159	53.0
111.04465	1.5
111.08089	6.4
111.11722	5.0
113.09624	2.5
117.07047	5.8
119.08613	8.9
121.10147	18.6
122.67467	1.3
123.08092	2.9
123.11708	13.7
125.09639	18.2
131.08551	8.6
133.10159	9.8
135.08047	4.8
135.11702	32.5
137.09608	2.5
137.13266	11.4
139.11191	1.4
145.10117	7.0
147.11781	6.5
149.09598	2.3
149.13266	11.3
151.07491	1.5
151.11218	4.2
151.14857	3.7
153.09148	1.7
153.12747	13.3
159.08078	1.5
159.11708	5.8
161.13254	8.1
163.11189	3.0
163.14835	4.6
164.63211	1.4
165.12782	3.5
167.14337	2.3
169.12257	1.8
171.10191	2.1
173.11757	8.5
173.13275	7.0
175.14793	2.3
177.12790	1.4
177.16331	2.4
179.14302	2.5
181.12288	1.6
181.15863	1.7
187.13330	1.7
187.14853	4.4
189.11261	11.4
191.14420	1.9
193.15810	1.7
195.13901	1.5
201.16356	2.3
209.15318	2.7
223.16914	2.2
227.12814	7.2
233.22713	3.1
243.21046	11.3
245.13847	5.9
261.19534	2.5
261.22162	30.5
262.22391	1.4
279.23187	74.4
280.23486	4.4
297.24335	2.3
331.15982	2.9
349.16776	2.5
353.26904	65.5
354.27280	6.6
371.13681	3.7
371.22079	2.4
371.27750	11.4
372.34882	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06481	0.3
54.33374	0.2
56.96567	7.4
57.23280	0.2
66.67595	0.3
67.85143	0.3
69.10825	2.1
71.95251	0.3
80.94836	1.1
87.04453	0.5
95.08632	0.3
97.96811	0.7
98.97590	1.4
99.88734	0.3
100.24890	0.3
110.97566	2.5
112.99114	0.6
115.60523	0.3
115.97845	0.4
116.98607	0.6
123.08054	0.3
123.11642	0.3
126.18029	0.2
128.98610	2.9
131.00162	0.6
137.02708	0.6
138.18930	0.3
139.00681	0.4
140.17799	0.2
143.00139	0.5
144.72707	0.3
146.99646	1.1
151.00690	0.5
151.07513	0.4
153.02232	1.0
155.03807	0.4
157.01698	0.4
159.03290	0.4
161.01245	0.4
163.02882	0.3
167.03775	1.4
169.01793	0.4
169.05324	0.3
171.03293	1.2
175.02800	0.3
181.05397	0.7
183.03281	0.6
185.04857	4.1
187.06326	0.5
189.04333	0.8
191.05846	0.4
193.05444	0.7
197.04886	0.5
199.06435	5.6
199.08199	0.6
203.05939	3.6
205.01704	0.4
205.07430	1.0
209.04845	0.3
210.01991	0.5
211.06413	1.1
212.03496	0.4
213.07872	0.4
217.07455	5.3
219.03264	1.0
219.06937	0.4
221.08598	0.5
223.02811	1.9
223.06346	1.0
223.08392	0.6
224.03577	0.5
225.04179	0.3
225.07898	0.5
226.05150	1.4
229.07462	0.5
231.06914	0.7
237.04329	3.5
237.08003	0.4
238.05138	0.6
239.09515	0.7
240.08846	0.5
241.03880	0.4
241.11128	0.4
244.06273	0.3
249.07910	0.9
251.06046	0.3
253.11198	0.8
255.05351	0.5
255.08934	0.4
262.08771	1.4
263.05991	0.3
267.09073	2.2
267.11948	0.4
271.12265	0.4
277.11090	0.3
279.08875	0.7
280.09818	3.8
281.10556	0.9
285.10077	1.0
286.10736	0.3
289.14789	0.7
297.10071	0.4
298.10846	1.0
299.11536	0.6
303.11404	0.4
305.14185	0.3
307.15707	1.7
319.16061	0.3
331.15753	26.8
332.16129	1.3
337.17578	0.8
349.16858	100.0
350.17188	6.9
367.17908	3.3
368.18320	0.4
372.18402	12.4
372.34583	0.6
373.18860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01874	11.3
55.05516	63.8
57.03439	8.9
57.07077	12.4
58.06579	4.1
67.05506	89.3
69.03426	10.5
69.07074	36.4
69.60400	15.3
71.05000	17.3
71.08629	27.2
73.06521	6.2
78.36491	4.4
79.05503	55.5
81.03416	11.8
81.07059	100.0
83.04987	21.4
83.08619	30.5
85.06513	10.4
85.10183	5.0
87.04472	14.5
88.07635	10.7
88.85701	4.9
91.05486	51.0
93.07049	74.5
95.04993	24.3
95.08611	69.5
97.06539	18.2
97.10173	25.0
98.23306	14.3
99.08110	33.9
105.07059	29.6
107.08600	40.6
109.06503	15.3
109.10191	27.7
111.08087	14.2
113.00040	7.2
115.07513	5.1
117.07044	17.2
119.08590	34.4
121.10153	19.6
123.08068	9.0
123.11732	7.7
125.09628	12.7
129.07028	11.5
130.64616	5.0
131.08563	22.1
133.10115	37.6
135.08107	6.9
135.11682	20.1
137.09616	19.3
137.93132	4.2
139.11159	24.2
143.08598	6.7
145.10109	14.0
146.26961	4.5
147.08043	6.8
147.11703	11.4
149.13297	25.1
151.07559	23.5
151.11201	27.5
157.10127	11.5
159.11699	21.5
161.09575	6.2
161.13301	14.9
163.11206	10.8
169.12268	8.2
171.11673	6.0
175.11191	9.2
177.12747	75.0
179.10706	10.8
179.14275	7.1
179.67184	4.5
181.02530	4.8
193.12224	22.5
194.22760	5.3
195.13811	53.8
201.14879	14.3
225.14886	17.0
259.20776	6.3
269.10739	5.6
277.21671	50.5
291.19672	7.2
295.22824	28.8
305.20990	8.8
324.32574	6.1
331.15683	8.9
343.08258	8.5
349.17001	8.9
355.26236	12.5
372.26520	5.5
372.30670	7.6
372.34973	35.0
373.12607	11.2
373.27518	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94948	2.8
55.01876	3.0
55.05510	23.9
57.02288	2.9
57.03440	3.4
57.07067	8.7
67.05206	4.0
67.05504	43.0
67.54729	3.1
69.03423	8.5
69.07082	16.3
70.06587	5.3
71.01342	2.9
71.04990	27.6
71.08630	11.1
73.06554	14.8
73.84261	2.8
74.07208	2.8
79.05510	13.9
81.07063	31.2
83.04985	6.5
83.08618	15.9
85.06538	10.1
85.10172	4.1
87.04468	100.0
87.47712	2.8
88.07619	14.7
91.05477	30.5
93.07028	29.7
95.04959	8.4
95.08607	44.0
96.08908	3.5
97.06515	8.6
97.10177	8.0
99.08092	8.1
105.07004	19.3
106.08670	6.9
107.08573	14.1
109.06492	5.3
109.10181	36.9
111.08101	5.1
113.00069	4.6
115.07521	4.1
117.07014	5.9
118.01126	2.8
119.08578	30.5
121.06490	3.8
121.10141	6.3
123.08115	3.1
123.11712	4.9
125.09580	4.2
130.08635	4.2
131.08559	9.4
133.06499	4.0
133.10121	44.9
135.08072	3.9
137.09604	57.6
138.09897	3.0
139.07452	4.3
143.08557	7.3
147.11662	6.0
149.09602	5.7
151.07518	9.0
151.11160	20.2
157.10081	4.3
161.09628	17.3
169.02646	7.4
169.12222	24.8
173.11722	3.4
179.10666	27.4
183.13763	4.0
187.13281	7.2
190.05629	3.3
193.12125	3.7
201.14873	30.6
211.13301	5.0
273.18622	7.9
286.53790	2.9
291.19574	10.4
299.25806	5.8
309.21735	2.9
312.29001	7.5
323.22269	6.0
324.32697	3.5
343.08240	4.0
355.28329	10.3
372.31024	60.3
372.34766	6.7
372.38531	4.7
373.12656	8.7
373.31381	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.0
55.05508	39.6
57.03444	4.7
57.07079	13.0
60.04514	24.6
67.05502	100.0
69.03429	14.4
69.07063	30.8
70.06600	7.5
71.04988	42.2
71.46780	4.5
73.06554	38.5
76.03711	4.4
79.05486	31.8
81.07056	78.4
83.04985	14.5
83.08601	22.7
85.06570	9.0
85.74294	3.7
87.04466	90.5
88.07629	10.0
91.05476	56.7
93.07047	46.7
95.04948	13.1
95.08599	92.3
97.06525	7.9
97.10160	5.7
99.79258	3.5
101.37847	3.7
105.07040	35.6
106.08654	6.8
107.04961	7.3
107.08581	23.7
109.06519	5.1
109.10146	69.3
111.08098	13.1
112.27707	4.0
115.07584	5.6
116.10740	11.7
117.07040	11.5
119.08575	46.2
121.06544	5.5
121.10175	17.5
123.11696	8.0
125.09598	5.3
130.08653	5.4
131.08539	5.4
133.10133	62.8
135.08047	7.7
135.11736	16.2
137.09613	78.9
137.13231	6.6
139.07553	7.4
143.08569	5.4
145.10117	9.5
147.11662	9.5
149.09604	4.6
149.13223	5.9
151.07552	15.3
151.11174	23.6
159.11713	4.3
161.09605	23.1
161.13329	9.6
163.14798	9.6
163.43747	4.1
169.12199	25.0
171.11754	4.8
175.11217	6.7
179.10683	31.5
183.13776	4.9
185.13257	4.7
185.90428	4.6
187.13367	5.4
193.12244	6.9
195.16147	4.8
201.14812	46.5
211.13324	8.2
245.22643	30.5
245.99968	5.1
263.23700	32.5
273.18591	11.2
282.27838	6.1
291.19653	12.9
300.29074	8.1
305.21225	9.8
312.28900	6.3
323.22137	13.0
337.27411	10.5
343.08191	8.7
372.30658	35.0
372.35004	33.6
372.38620	8.1
373.12964	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84298	2.3
53.03943	4.2
55.01875	10.4
55.05510	55.8
56.05033	14.9
57.03427	6.0
57.07072	6.4
58.06591	23.9
61.98299	2.3
62.06087	19.1
62.61068	2.4
64.39899	2.3
67.05505	38.7
68.05032	5.1
69.03429	10.6
69.07076	19.8
69.98099	5.3
69.98460	5.0
70.06601	21.0
71.04987	3.1
71.08629	23.0
72.04511	69.8
72.08159	3.7
74.06076	19.0
79.05486	36.8
80.05050	2.7
81.03413	31.4
81.03834	3.0
81.07054	39.0
82.06583	3.1
83.04985	15.3
83.08619	27.6
84.04501	6.1
84.08129	9.2
85.02928	3.1
85.06541	4.6
86.06060	86.5
88.07627	58.2
91.05473	24.8
93.07044	22.1
94.06580	6.8
95.04964	16.7
95.08595	23.8
96.08121	3.4
97.02924	2.9
97.06527	5.3
97.10164	37.6
98.06068	9.0
99.04429	3.9
99.08091	19.0
100.07606	3.7
102.05556	7.2
105.07018	36.7
107.04964	5.5
107.07286	2.5
107.08596	27.7
108.08169	3.0
109.06540	7.9
109.10149	12.2
111.08094	6.0
112.07607	7.0
112.11288	4.0
114.05563	2.6
116.07108	3.2
117.07085	4.3
119.08556	15.0
121.06483	5.0
121.10162	13.0
123.11739	4.0
125.09616	31.2
126.09148	2.7
129.07028	6.6
131.04941	3.8
131.08597	8.1
133.10144	8.3
135.04422	11.3
135.08009	4.5
135.11717	5.8
139.11172	4.2
140.14394	4.2
143.08655	3.4
143.10707	3.8
144.13858	4.2
145.10075	13.0
147.11642	8.5
149.09671	7.6
151.07590	5.3
151.11169	4.7
153.09215	2.5
153.12730	3.3
156.13864	6.5
158.15422	9.6
159.04440	6.2
159.11707	6.4
161.02277	3.1
161.13322	6.2
163.03885	12.9
165.12773	4.1
167.07045	5.4
168.13808	13.6
173.02377	7.4
173.09573	9.2
175.11252	4.2
177.12804	3.4
184.17064	5.6
186.14883	86.0
187.03940	8.9
187.15190	3.2
189.11218	26.1
191.10562	3.1
193.12219	26.9
196.13382	9.5
197.06093	4.1
198.14862	3.8
199.03938	7.1
200.16577	3.5
205.12201	13.1
210.14915	10.5
211.13278	100.0
212.13686	4.9
213.05498	11.1
215.10674	13.1
215.12672	5.7
216.15875	6.6
217.12210	3.4
228.15985	17.7
232.59088	2.5
233.11829	4.4
235.12949	3.1
236.16325	4.2
240.16011	11.3
242.17584	3.4
246.17009	32.1
254.17517	6.4
258.16992	37.6
267.13748	16.2
270.17105	3.4
272.18530	16.0
275.20023	3.7
277.21512	8.5
293.11569	4.8
293.21063	29.3
294.21423	5.0
294.24246	26.4
311.12662	9.5
311.16116	5.1
311.22232	8.0
312.25284	6.2
329.13971	3.8
336.25296	10.8
337.14236	8.3
354.26456	19.5
355.15372	23.8
372.21680	5.0
372.27466	63.2
373.20071	27.8
373.27469	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01862	2.2
55.05508	11.3
56.05020	3.4
57.07068	1.4
58.06577	2.0
60.04518	1.7
62.06088	11.8
65.03918	0.7
67.05498	10.5
68.05013	1.4
69.03415	0.9
69.07069	7.1
70.02963	0.8
70.06581	4.8
71.04987	2.3
71.08636	4.8
72.04505	6.2
72.08130	1.4
74.06071	2.5
79.05484	8.1
80.04993	1.8
81.03410	3.9
81.07056	14.2
82.06573	3.5
83.04972	3.4
83.08623	8.5
84.08135	2.0
85.06502	0.9
86.06052	2.1
86.09715	1.2
88.07608	1.9
91.05470	5.3
93.07044	6.9
94.06561	2.2
95.04969	8.0
95.08600	7.2
96.04492	1.4
96.08115	1.6
97.06517	2.2
97.10160	2.1
98.06041	6.6
99.08086	4.1
100.07607	5.8
103.05502	0.6
105.07029	5.6
106.07253	0.6
107.04962	1.6
107.08583	5.3
109.06522	2.4
109.10132	2.9
110.09644	0.8
111.04427	2.0
111.08060	2.2
111.28738	0.6
112.07586	2.4
114.05518	3.8
114.09151	1.9
115.05434	0.6
117.06998	2.1
119.04938	0.8
119.08588	4.4
120.08138	0.8
121.06506	1.0
121.10110	3.7
123.11694	1.8
125.05975	0.7
125.09625	1.6
126.09145	1.2
129.06996	1.3
130.12315	0.8
131.08556	2.5
133.10120	2.5
135.04428	1.7
135.08037	1.8
135.11749	1.4
136.07581	1.0
137.05916	1.5
138.12778	1.4
140.14345	0.6
145.10114	3.6
147.11700	3.0
149.06027	0.9
149.09607	2.5
151.03893	2.8
151.07526	4.9
151.11176	1.7
152.14349	0.9
153.05498	0.9
156.13821	3.0
159.08109	0.8
159.11713	1.7
161.05959	0.8
161.09602	0.7
162.45851	0.8
163.03917	1.7
163.11160	3.1
165.09102	1.0
165.12761	1.8
167.07025	1.6
170.15402	5.3
173.05995	0.9
173.09604	1.1
175.07568	0.7
175.11162	1.0
177.05510	1.1
177.09081	0.9
177.12764	2.5
178.06255	1.1
180.13864	1.0
182.15367	4.0
187.07515	1.1
191.10631	0.8
192.13844	0.8
193.12270	1.8
194.15410	0.7
198.14917	3.9
199.03886	1.2
201.05305	0.7
205.12270	1.1
205.46996	0.6
210.14876	19.3
211.07549	1.4
211.13240	1.3
211.15175	1.2
212.16489	4.7
213.05458	1.4
215.10568	0.7
216.15933	3.8
219.08035	0.9
223.13335	2.4
224.16476	0.7
226.18002	1.7
228.15939	50.2
229.16269	1.8
230.17514	15.2
233.11766	1.9
234.06870	0.8
236.08165	1.1
237.09045	1.1
239.06999	1.5
239.10773	0.9
242.17468	4.0
243.17946	0.8
244.19139	5.4
246.16998	8.1
247.07434	1.2
251.12949	1.2
252.15807	3.1
261.09024	1.8
262.09778	1.2
263.07034	0.6
265.08670	1.1
265.12311	1.1
267.13797	1.3
269.11560	0.8
275.10757	0.9
275.20065	1.6
278.09128	1.0
285.11374	0.9
291.10361	1.0
292.10596	0.7
293.11630	1.5
293.21072	19.4
297.11218	0.7
305.11725	3.4
311.12741	2.5
311.22177	1.7
326.26868	7.8
327.27316	0.8
336.25275	2.7
337.14221	1.3
340.12762	1.0
343.11780	4.9
354.26370	10.8
355.15231	4.2
355.26532	0.9
372.27429	100.0
373.20248	3.6
373.27652	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1646
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
50.01603	0.3
51.02137	0.2
51.02395	0.5
51.32613	0.1
53.03947	0.4
54.06995	0.1
55.01865	0.4
55.05498	0.2
60.94088	0.1
63.02376	0.2
65.03936	0.3
67.05499	0.4
68.25896	0.1
69.03445	0.1
69.07061	0.1
71.04978	0.1
77.03906	1.6
77.04311	0.1
78.04699	1.2
79.05484	6.4
80.05843	0.1
81.03406	0.3
81.07045	0.5
83.04962	0.1
89.03915	0.1
91.05466	2.9
93.03370	0.1
93.07033	0.5
94.04166	0.3
95.04956	3.1
95.08592	0.3
96.05756	0.1
103.05457	10.4
104.05746	0.2
105.03389	1.7
105.04499	1.4
105.07019	5.2
106.04191	0.7
107.04945	4.7
107.08572	0.1
108.05778	0.1
109.06506	0.7
115.05445	2.3
117.07035	0.8
118.04168	0.2
119.04931	1.3
119.08615	0.4
120.05717	0.2
121.06488	1.3
121.10102	0.1
122.03652	0.5
123.04413	3.3
123.08072	0.5
124.05224	1.5
125.05964	0.4
128.06235	0.8
129.07008	1.3
130.04105	0.2
130.07793	0.2
131.04915	15.9
131.08548	0.5
132.05333	0.3
133.06477	6.0
134.03639	0.3
134.06812	0.1
135.04399	100.0
135.07962	3.3
136.04720	2.8
137.05963	3.2
141.06989	0.9
143.04936	1.0
143.06017	0.2
143.08534	0.6
144.05713	0.5
145.06467	1.5
147.04413	0.5
147.08018	1.1
148.05154	0.2
149.05963	5.4
150.06352	0.1
151.03891	0.8
151.07520	3.9
152.04665	1.1
153.05470	0.2
155.04901	0.1
155.06012	0.1
155.08559	0.1
156.05693	0.2
157.06465	0.8
158.07288	0.6
159.04411	0.3
159.08066	0.5
160.05188	0.6
161.05963	15.2
162.06308	0.5
163.07526	17.9
164.07855	0.4
165.05504	0.2
165.09093	0.1
166.06303	0.2
167.07018	39.7
168.07335	1.3
169.06441	0.4
171.08041	0.5
172.05124	0.3
173.05965	2.0
173.09579	0.3
174.06635	0.2
175.07523	2.2
177.09090	0.2
178.06244	0.1
179.07028	0.5
181.08592	2.0
185.05962	2.0
186.06702	0.9
187.07526	2.4
189.05479	0.2
189.09146	0.2
190.07729	0.3
191.06950	0.3
192.07832	0.2
193.08591	3.8
194.08965	0.1
195.10178	0.2
199.07584	0.5
201.09081	1.3
202.07774	0.1
203.08539	0.2
204.07730	0.2
204.09418	0.1
205.08424	0.5
205.10219	0.5
207.08391	0.1
207.10107	0.7
213.05510	0.1
215.08519	0.4
218.07188	0.4
218.09117	0.1
219.08066	0.1
219.10115	3.4
220.10507	0.2
222.06664	0.1
233.09555	1.3
233.11743	0.6
235.07596	0.2
248.08229	0.1
249.09131	0.1
251.12701	0.1
261.09042	0.7
263.10620	0.5
265.12210	0.5
273.08926	0.2
277.12155	0.1
291.10156	1.2
292.10623	0.1
293.11661	1.3
294.12357	0.1
295.13150	0.3
308.10510	0.2
323.12729	4.3
324.12976	0.4
325.14209	0.4
337.14215	0.2
340.12949	0.2
340.16656	0.2
341.13690	0.1
355.15338	4.1
356.15616	0.3
373.15778	0.2
373.20209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
57.03440	0.3
61.02921	0.5
67.51815	0.3
69.03416	0.8
69.63663	0.5
69.64046	0.6
70.06581	0.5
72.08147	0.7
81.03382	0.4
84.08125	1.6
85.02903	2.3
86.09702	0.7
89.03931	0.4
93.07063	0.4
96.58616	0.3
97.02888	1.0
98.22741	0.5
107.04923	0.4
115.25718	0.3
117.03371	2.5
120.81367	0.3
127.03897	0.5
129.10205	0.6
129.57790	0.3
135.04370	0.4
137.05869	0.3
138.18044	0.3
145.01688	0.4
145.02840	7.3
145.04990	0.5
147.11508	0.3
149.05975	1.2
163.03824	0.6
177.05461	18.3
193.12001	0.9
195.06519	10.5
203.05241	4.7
211.13025	0.5
289.51276	0.3
290.03033	0.3
356.20639	0.8
373.18320	100.0
374.14178	0.6
374.18542	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
56.05032	1.2
58.06595	1.1
67.05534	0.7
69.03423	4.2
69.07059	2.0
69.27283	4.2
70.06584	5.6
72.08157	3.4
81.03386	1.2
81.07056	1.1
84.04514	1.8
84.08138	33.3
85.02903	6.5
86.09700	27.9
89.03892	1.6
91.05463	1.9
93.07051	1.0
97.02900	1.6
101.10781	1.0
105.07043	2.6
106.06593	1.6
107.04937	1.0
107.06873	1.1
109.06498	0.7
110.07130	1.0
115.03928	2.1
117.03391	4.6
118.06857	0.8
127.03931	2.0
127.08731	0.8
129.10234	39.7
137.05983	3.4
145.02843	12.7
145.04947	1.6
147.11339	2.2
148.06090	1.7
149.06015	3.3
151.03906	2.5
151.07529	0.9
153.05507	1.4
155.07108	1.0
161.05971	3.1
163.03958	1.2
175.07512	1.0
177.05463	29.2
193.08411	1.2
193.11993	1.8
195.06516	13.7
195.13521	11.9
197.16483	1.4
199.18066	5.1
201.03693	15.4
201.05331	0.7
203.05290	8.1
203.07008	1.1
211.09535	1.9
211.13200	0.8
227.17482	3.3
242.18631	5.6
243.16969	0.9
260.19730	5.0
270.20663	0.9
277.08469	0.9
296.22156	1.2
356.20633	2.0
373.14767	6.6
373.18347	100.0
373.27844	6.9
374.18613	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81339	0.3
56.05030	0.7
56.15051	0.4
57.03465	0.3
57.25743	0.3
61.02902	0.6
67.05488	0.7
69.03423	4.4
69.58376	1.4
70.06593	1.0
71.04987	0.8
72.08150	3.2
79.05500	0.5
81.03409	0.7
81.07055	0.4
83.04968	0.5
84.08140	36.8
85.02901	3.4
85.08477	0.6
86.09701	7.5
89.03915	1.2
91.05483	0.8
95.04971	0.6
97.02888	1.3
97.06517	0.5
101.10799	1.4
105.07005	0.6
107.04939	0.7
115.03916	3.1
117.03395	3.5
123.04433	0.4
125.05947	0.5
127.03903	1.2
129.10233	26.5
130.08670	0.4
133.10167	0.5
134.03661	0.4
137.06006	1.0
140.04611	0.4
145.02844	9.2
145.04982	1.7
145.06532	0.6
147.11285	0.4
149.05954	1.8
151.03909	1.1
153.05405	0.5
155.07039	1.1
157.13364	0.5
161.05952	0.5
163.03941	1.0
167.07097	0.4
173.06024	0.5
175.07498	0.5
175.84547	0.4
177.05464	25.3
179.07117	0.5
193.12044	2.6
195.06512	13.2
195.13510	2.8
197.16476	2.3
201.03647	3.3
201.05211	0.4
203.05273	5.8
203.07008	0.5
211.09424	0.9
211.13020	0.5
224.17593	1.0
242.18619	4.5
245.18692	0.6
260.19662	1.9
269.10416	0.6
338.16217	0.4
355.26880	0.5
356.20667	1.2
373.14636	6.9
373.18365	100.0
373.28006	11.4
374.14240	0.8
374.18521	6.6
374.28400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79472	0.5
55.01868	0.7
55.05492	0.8
56.05033	0.6
58.06594	0.6
67.05496	0.6
69.03423	0.5
69.07062	0.8
69.34390	2.5
70.06579	1.7
71.04970	0.4
72.08143	2.3
79.05517	1.0
81.03413	0.7
81.07059	1.1
84.04495	0.8
84.08150	4.9
85.02914	0.9
86.09705	11.7
91.05466	0.7
95.08604	0.6
98.23524	0.6
98.97588	0.6
100.57425	0.5
105.07011	1.3
109.10129	0.9
117.03416	0.6
119.06115	0.5
119.08555	0.9
129.10187	2.7
131.08546	0.6
132.10156	0.9
133.10123	1.6
136.07494	0.7
137.06001	3.0
143.11760	0.9
145.02831	1.0
147.04388	0.9
149.09651	0.6
151.07469	0.7
153.05470	0.6
157.13336	1.4
171.11320	0.6
177.05440	1.8
179.06918	0.6
185.12906	0.5
189.12346	1.1
193.12086	0.9
201.05429	1.9
203.13867	1.0
207.06645	0.5
211.13152	1.6
242.14905	0.5
265.08499	0.6
296.21912	0.5
305.08786	0.7
325.10602	1.0
330.48709	0.5
341.10211	0.8
356.20663	1.3
356.78387	0.6
373.18304	100.0
374.18369	6.3
374.22714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91367	0.1
65.03940	0.3
66.04716	0.2
67.05497	0.2
71.46165	0.1
71.46552	0.1
73.44296	0.1
75.04447	0.1
77.03898	0.1
78.04707	0.3
79.05486	1.0
80.06268	0.8
81.07070	0.1
90.04687	0.6
91.05475	3.7
92.05790	0.2
93.03387	0.2
93.07034	0.5
94.04185	0.1
95.04971	0.5
95.08598	0.1
103.05460	1.1
104.06271	0.1
105.03375	0.4
105.04500	0.2
105.07027	0.9
106.04140	0.8
107.04951	7.0
107.08535	0.1
108.05758	3.4
109.06525	0.7
115.05443	0.4
116.06230	0.2
117.07023	1.0
118.04134	0.5
119.04926	0.2
119.06065	0.3
119.08577	0.3
121.06506	2.3
122.03661	0.1
122.07292	0.1
123.04437	0.2
123.08078	0.6
128.06218	0.2
129.06996	0.5
131.04921	2.1
131.08565	0.2
132.05701	0.3
133.06480	1.5
134.07263	0.1
135.04405	2.6
135.08064	1.7
136.05196	6.7
137.05989	3.5
137.09596	0.1
138.06804	0.5
138.27576	0.1
139.07524	0.2
141.07022	0.1
143.04874	0.2
143.08545	0.2
144.05675	0.1
145.06482	1.6
146.07277	1.7
147.04378	0.1
147.08051	4.2
148.08435	0.2
149.05975	0.7
149.09593	0.3
150.06752	1.5
151.07535	100.0
152.07863	3.9
153.09059	0.2
155.06046	0.1
157.06552	0.4
158.07269	0.3
159.08028	0.7
160.05182	0.1
160.08842	1.2
161.05984	0.8
161.09624	0.9
162.06758	0.5
163.07535	3.9
164.08298	0.8
165.09106	7.4
166.09395	0.4
167.96571	0.1
171.08060	0.3
172.08807	0.5
173.05966	0.4
173.09593	0.2
174.06734	0.6
175.07527	0.8
176.08318	1.2
177.09102	8.3
178.09680	0.5
179.10687	1.2
185.09648	0.2
186.10466	0.5
187.07497	0.4
188.08356	0.9
189.09111	2.1
190.09697	0.2
191.10667	2.7
201.09155	0.4
202.09883	0.5
203.10660	2.4
204.10977	0.3
205.12244	0.3
217.12254	1.9
218.12593	0.2
229.71786	0.1
257.11966	0.1
277.12250	0.1
291.13678	0.2
292.14462	0.1
308.14145	0.2
309.14923	0.4
323.16284	0.6
324.16962	0.3
325.14374	0.2
340.16672	12.7
341.17014	1.3
343.08392	0.1
345.34467	0.1
351.18976	0.1
353.17508	0.2
355.19034	3.6
356.19299	0.8
373.13251	0.2
373.18585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.04503	0.2
65.03921	0.4
67.05508	0.3
69.15678	1.0
78.04707	0.3
79.05487	1.1
80.06273	0.7
81.03410	0.2
81.07054	0.3
90.04710	0.9
91.05475	3.6
93.03379	0.2
93.07021	0.4
95.04934	0.5
103.05461	1.1
105.03365	0.2
105.07030	1.0
106.04168	0.9
107.04944	6.9
107.08600	0.3
108.05743	2.8
109.06496	0.6
111.24622	0.2
115.05449	0.5
117.06988	0.8
118.04115	0.6
119.04923	0.2
119.06069	0.2
121.06503	2.3
123.08084	0.5
124.05161	0.2
129.07072	0.3
131.04900	2.3
131.08508	0.2
133.06477	1.4
135.04393	3.0
135.08081	1.1
136.05180	6.2
137.05989	3.1
138.06705	0.3
139.07545	0.3
145.06461	1.3
146.07272	1.7
147.08037	3.9
149.05974	0.6
149.09677	0.2
150.06729	1.5
151.07527	100.0
152.07854	3.1
157.06467	0.5
158.07193	0.3
159.08067	0.6
160.08824	1.5
161.05971	0.7
161.09604	1.0
162.06746	0.6
163.07526	3.6
164.08231	0.6
165.09096	7.0
167.07101	0.5
167.65474	0.2
171.08051	0.4
172.08763	0.4
173.05966	0.7
174.06798	0.5
175.07533	0.8
176.08340	1.3
177.09099	8.1
178.09563	0.2
179.10664	0.9
185.06122	0.2
186.10304	0.4
187.07562	0.3
188.08307	0.9
189.09067	2.0
191.10622	2.4
202.09906	0.4
203.10681	2.1
206.04398	1.0
211.48943	0.2
217.12201	2.1
231.13873	0.2
309.14972	0.4
323.16339	0.4
324.16901	0.3
331.89252	0.2
340.16663	13.3
341.11264	0.4
341.17245	0.9
355.15262	0.2
355.19037	4.4
356.19330	0.4
359.12494	0.2
373.27542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01859	0.4
55.05508	1.4
57.03429	0.5
62.06079	0.4
65.03920	0.5
67.05508	2.5
69.07066	0.5
69.95053	0.4
72.79617	0.4
78.04729	0.6
79.05483	2.4
81.03434	2.2
81.07044	2.0
83.04967	0.5
83.08592	0.4
84.08073	0.6
88.08924	0.3
90.04698	0.8
91.05476	5.8
92.05762	0.5
93.07025	2.0
95.04958	1.4
95.08587	1.1
97.06549	0.7
103.05471	1.1
105.07051	3.1
106.04152	0.8
107.04957	7.1
107.08585	1.0
108.05748	3.1
109.06516	0.7
109.10133	0.9
115.05435	0.6
117.07024	1.3
119.08584	1.2
121.06528	2.8
121.10149	0.4
123.04447	0.9
129.07036	1.0
131.04935	2.4
131.08527	0.5
133.06479	1.0
133.10086	0.4
135.04436	3.3
135.08051	1.8
136.05214	6.6
137.05974	4.3
145.06520	1.5
145.10080	0.6
146.07268	1.6
147.08058	4.3
147.11723	0.5
149.05951	1.3
149.09610	1.1
150.06749	2.0
151.07535	100.0
152.07872	3.9
157.06467	1.0
159.04372	0.9
159.08034	0.9
160.08849	1.1
161.05978	0.9
161.09517	0.7
162.06807	0.8
163.03859	1.9
163.07523	4.3
164.08279	0.9
165.09113	7.0
167.07036	0.6
171.07950	0.5
172.08862	0.5
173.02365	1.0
173.05997	1.3
173.09781	0.6
174.10022	0.5
175.03889	0.4
175.07506	1.5
176.08321	1.2
177.09096	8.9
178.09499	0.5
179.10674	1.2
185.05978	0.4
187.03883	1.2
187.07587	0.7
188.08344	0.7
189.09081	2.5
191.10634	3.3
193.12300	0.6
199.03934	1.4
201.05452	0.8
201.09062	0.6
203.10686	2.4
213.05499	1.7
216.10957	0.5
217.12286	2.0
230.17493	0.7
234.12123	0.4
267.13818	1.7
283.13251	0.5
293.11829	0.5
311.12827	3.1
323.16446	0.6
327.15775	0.8
337.14328	0.8
337.25595	0.8
340.16675	13.2
341.17041	0.9
355.15240	2.5
355.19012	4.1
355.26132	0.8
356.19308	0.7
373.20132	0.9
373.27527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.1
51.02380	0.1
53.00301	0.0
53.03933	0.1
55.01857	0.1
55.05488	0.0
55.67387	0.0
61.44064	0.0
65.03905	0.3
65.08464	0.0
66.04706	0.1
67.05493	0.1
67.98133	0.0
75.04469	0.1
77.03882	0.3
78.04699	0.3
79.05032	0.1
79.05488	1.1
80.06264	0.8
81.07039	0.1
89.03893	0.1
90.04687	0.8
91.05473	3.1
92.05760	0.1
92.06258	0.1
93.03383	0.1
93.07030	0.3
94.04171	0.1
95.04964	0.4
95.08604	0.1
103.05454	1.0
105.03374	0.4
105.04498	0.2
105.07025	0.8
106.04159	0.7
106.07323	0.0
107.04942	6.5
107.08578	0.1
108.05733	3.1
109.06547	0.6
112.55875	0.0
115.05419	0.3
116.06216	0.1
117.07005	0.9
118.04140	0.5
119.04949	0.2
119.06031	0.2
119.08508	0.3
120.05665	0.1
121.06494	2.2
122.03651	0.1
122.07256	0.1
123.04423	0.2
123.08054	0.4
124.05175	0.1
128.06195	0.2
129.06979	0.3
130.04095	0.1
131.04910	2.1
131.08585	0.1
132.05658	0.2
133.06474	1.2
134.07191	0.1
135.04402	2.6
135.08035	1.3
136.05183	6.4
137.05972	3.2
137.09555	0.1
138.06799	0.4
139.07516	0.2
141.06972	0.1
143.04900	0.1
143.08522	0.2
144.05696	0.2
145.06473	1.4
146.07257	1.6
147.04347	0.2
147.08034	3.9
148.08475	0.2
149.05971	0.7
149.07143	0.1
149.09605	0.2
150.06744	1.7
151.07521	100.0
152.07849	3.5
152.09364	0.1
153.09047	0.1
156.05624	0.1
157.06483	0.4
158.07216	0.2
159.08018	0.7
160.05141	0.1
160.08818	1.2
161.05983	0.7
161.09607	0.8
162.06749	0.7
162.10146	0.0
163.07521	3.4
164.08293	0.7
165.09094	7.5
165.38043	0.0
166.09430	0.3
171.08055	0.5
172.08817	0.4
173.05975	0.4
173.09590	0.2
174.06717	0.5
174.10326	0.1
175.07527	0.9
176.08307	1.1
177.09085	8.5
178.09625	0.4
179.10640	1.1
180.10938	0.1
181.08534	0.1
185.09627	0.2
186.06812	0.1
186.10410	0.3
187.07481	0.4
188.08311	0.9
189.09081	2.1
190.09631	0.2
191.10641	2.8
192.11031	0.1
193.12265	0.1
201.09116	0.4
202.09891	0.5
203.10648	2.3
204.11087	0.2
205.12225	0.3
215.10585	0.1
217.12213	2.1
218.12656	0.1
221.11641	0.1
231.13782	0.1
235.13284	0.2
260.11752	0.1
261.09085	0.1
265.11969	0.1
276.11218	0.1
277.12253	0.1
291.13654	0.1
292.14468	0.1
293.11557	0.1
308.13971	0.1
309.14728	0.4
323.16449	0.5
324.17148	0.3
325.14331	0.1
325.17798	0.1
340.16647	12.6
341.16983	1.0
353.17578	0.2
355.18982	4.1
356.19373	0.4
373.19318	0.1
373.29401	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07256	5.6
55.01888	8.2
56.39425	5.2
67.05495	19.7
69.03423	14.0
69.07071	8.5
79.05481	11.8
81.07053	21.8
83.04967	13.9
83.08629	7.0
85.06553	7.6
91.05489	16.7
93.07029	13.5
93.26454	6.4
95.05029	6.2
95.08608	26.1
97.06549	7.4
99.08082	7.2
103.05483	15.2
105.07056	11.4
107.04944	11.8
107.08601	18.7
109.06522	9.3
109.10155	86.3
111.08049	6.4
119.08546	31.5
121.10155	12.8
123.04446	8.2
123.08052	10.2
131.04919	21.3
133.06505	8.8
133.10158	29.8
135.04399	77.3
135.11688	86.4
137.05998	24.5
137.09610	15.3
149.05991	8.5
149.13239	9.4
151.03911	7.9
151.07532	24.4
151.11148	12.7
151.14804	16.0
154.33771	6.3
161.05984	17.1
163.07524	17.3
167.07043	53.6
175.14810	31.8
183.06433	8.1
193.15903	50.2
198.07321	6.4
201.05501	6.9
211.16939	100.0
283.13181	8.1
294.26123	6.9
311.12677	11.6
355.15335	10.8
373.18320	96.1
374.18799	12.8
392.45694	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54580	2.0
53.03942	3.1
55.01857	2.8
55.05512	19.6
56.96567	23.3
57.07066	3.4
62.94624	2.1
65.03925	4.9
67.05508	23.5
69.03416	2.8
69.07073	16.8
69.70425	4.3
69.70814	5.7
70.07318	2.1
71.04976	3.7
71.95263	2.6
77.03897	2.4
79.05095	3.0
79.05497	31.1
81.07056	52.8
83.05003	3.7
83.08595	4.5
85.06532	2.6
87.04469	3.6
89.03633	2.5
91.04940	3.6
91.05480	49.5
91.39456	1.9
93.07043	44.4
95.04971	52.6
95.08604	31.5
97.06538	14.4
97.10143	2.3
97.63507	1.9
97.96791	4.8
98.22672	2.4
98.23236	6.0
103.05460	6.4
104.69373	2.1
105.04470	5.4
105.07031	87.3
106.07372	3.1
107.04939	4.6
107.08596	25.3
109.06531	18.4
109.10150	12.6
110.97594	11.2
111.08047	2.2
115.05447	6.4
115.97845	2.5
116.06238	2.5
117.07009	17.5
119.07750	4.3
119.08582	66.3
120.08928	2.6
121.06490	14.8
121.10157	19.4
123.01139	2.6
123.08047	6.1
123.11650	3.7
124.84162	2.2
128.06232	16.0
128.98615	12.2
129.07011	25.9
130.07758	8.6
131.08569	33.6
133.06467	3.5
133.07506	2.4
133.09175	3.3
133.10126	43.9
134.10461	2.3
135.08057	5.2
135.11662	5.9
141.07010	13.4
142.07796	27.4
143.08566	47.5
144.09366	6.1
145.06366	2.7
145.10133	43.8
146.99605	3.8
147.08012	4.7
147.11655	13.8
149.09587	10.5
149.13319	2.7
151.07559	25.5
153.06940	5.8
154.07784	6.3
155.08531	19.6
156.09309	19.5
157.10135	46.2
158.10826	8.8
159.08043	7.2
159.11703	18.3
161.01236	4.1
161.09557	6.2
165.06969	9.9
166.07774	4.8
167.08606	11.1
168.09261	6.2
169.10121	32.0
170.10831	7.4
171.08051	2.3
171.11661	22.9
173.09575	3.5
173.13268	20.4
175.11331	2.4
177.08990	2.7
178.07790	3.8
179.08540	17.8
180.09290	8.3
181.10115	19.1
182.10938	13.2
183.11681	14.8
184.12408	4.6
185.13242	12.0
187.11104	2.7
189.12831	2.1
190.05235	2.8
191.08542	4.9
192.09285	6.8
193.10098	25.4
194.10864	12.1
195.11684	21.7
196.12422	9.1
197.13263	23.0
198.13789	4.7
199.11046	3.2
199.14804	6.9
200.32668	2.1
203.05969	3.8
203.08527	4.7
205.10089	7.7
206.10893	11.9
207.11684	32.0
208.12428	12.3
209.13199	17.4
210.13777	4.3
211.14816	14.1
217.10106	5.3
218.10912	6.0
219.11717	11.6
220.12466	9.9
221.13251	24.0
222.14001	7.2
223.14783	12.8
225.16335	4.9
229.10156	3.9
230.10780	3.1
231.11588	8.4
232.12495	6.7
233.13292	18.1
234.13924	9.4
235.14870	19.0
236.15395	3.3
237.16266	9.0
239.17938	3.4
243.11821	4.6
244.12305	3.7
245.13177	7.4
246.13957	7.2
247.14784	9.7
248.15594	6.5
249.16350	19.4
250.17155	5.3
251.18018	11.0
257.13165	4.3
258.13818	4.3
259.14764	5.7
260.15683	4.6
261.16321	10.8
263.09604	4.5
263.14636	2.5
263.17877	10.5
264.18671	8.9
265.19467	8.2
269.13171	3.9
271.14890	5.0
272.15649	3.3
273.16403	3.1
275.17914	9.4
277.19424	12.5
284.15524	4.3
285.16379	4.3
289.19308	5.4
292.11307	2.4
293.18903	3.1
298.17468	2.5
299.18008	6.2
315.16275	52.0
315.20175	3.3
315.21484	2.1
317.18903	5.1
329.22491	3.6
333.17349	100.0
343.07950	4.4
345.25723	3.8
351.18390	37.2
355.24100	4.1
355.28229	3.1
356.18967	12.6
358.22836	4.2
373.12653	7.4
373.20340	5.0
373.25153	74.7
373.28998	2.8
374.19977	2.9
374.25568	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2737
Annotation	Nabilone
Peak:m/z	Relative Intensity
53.03925	1.5
55.01857	3.3
55.05510	18.2
57.03426	2.0
57.07052	2.6
65.03928	1.4
66.15921	1.3
67.05158	1.8
67.05506	26.0
69.03408	3.3
69.07058	15.3
71.04993	3.5
75.19611	1.3
79.05493	20.5
81.03408	2.1
81.07051	35.4
83.04952	6.9
83.08617	6.5
85.06526	2.0
87.04456	2.2
87.26109	1.5
91.05476	24.2
93.07040	23.1
93.29445	1.4
95.04970	5.4
95.08607	23.9
97.06543	3.1
97.10169	4.7
105.04514	1.9
105.07017	27.3
107.04977	4.5
107.08592	14.6
109.06534	7.5
109.10138	7.8
111.08108	1.9
114.61784	1.3
115.05399	2.4
117.07023	12.4
119.08582	21.1
120.58833	1.4
121.06519	7.4
121.10126	10.8
123.08060	3.4
123.11703	4.4
128.06250	3.3
128.40834	1.2
129.07002	12.8
130.07779	1.9
131.08578	13.6
133.06483	11.7
133.10109	15.6
135.08031	5.4
135.11639	3.3
136.08795	2.7
137.09592	2.6
137.13321	1.5
141.06952	3.8
142.07761	2.3
143.08546	15.1
145.06467	8.0
145.10112	14.9
147.08031	9.2
147.11673	7.6
149.09613	12.2
149.13356	2.8
151.07550	7.2
151.11127	2.8
155.08542	6.8
157.10114	14.3
159.08037	5.9
159.11687	10.6
161.09642	9.2
161.13268	6.0
163.11179	4.0
169.10147	6.7
171.08026	2.6
171.11682	8.6
173.09639	8.6
173.13234	3.3
175.11172	13.4
175.14812	1.8
177.12682	2.0
183.11665	6.5
185.09621	2.3
185.13226	4.7
187.11168	7.7
187.14760	2.4
189.12802	3.0
195.11708	2.9
197.13306	5.3
199.11201	3.0
199.14787	9.1
201.12729	6.0
201.16386	2.1
203.14317	2.2
205.15849	2.0
207.11656	1.4
211.11397	1.5
211.14767	4.0
213.12781	1.8
213.16402	4.5
215.14333	4.3
217.15845	4.3
223.14842	2.0
225.16342	3.2
227.14447	1.6
229.15898	3.8
231.17418	1.8
241.16026	1.5
243.17450	5.0
257.18964	2.9
259.20490	1.5
281.18988	1.9
285.18488	1.7
286.19171	4.2
287.20041	10.6
299.19965	3.0
305.20926	1.4
309.25769	3.0
327.26865	7.0
337.25262	18.1
343.08124	3.3
355.26297	100.0
356.26541	8.4
373.12686	9.3
373.27301	16.6
374.30688	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	26.0
55.01865	11.5
55.05516	49.5
55.92973	6.0
57.07065	11.0
59.66220	6.5
67.05511	82.8
69.07069	36.0
69.41953	13.8
69.42355	17.1
71.05001	10.3
71.28020	7.3
79.05499	63.8
81.03421	56.0
81.07056	100.0
83.04987	18.5
83.08627	14.4
85.06531	10.0
91.05494	60.2
93.06596	6.6
93.07067	63.3
94.09463	6.5
95.01343	14.7
95.04981	17.5
95.08608	58.5
97.06541	8.6
98.23399	12.4
105.01630	5.7
105.07042	57.3
107.04981	41.6
107.08596	35.8
108.74503	6.0
109.06528	8.1
109.10162	16.8
111.08088	11.4
117.07039	30.7
119.08587	38.3
121.06505	18.4
121.10151	18.3
123.08087	17.7
123.11761	10.2
129.07013	23.2
131.08601	31.9
133.06471	15.8
133.10132	20.6
135.08023	15.6
135.11703	22.5
141.06976	11.1
143.08559	35.7
145.06470	17.6
145.10121	21.7
147.08032	15.2
147.11671	12.6
149.09644	20.0
149.13289	9.3
151.07545	22.4
155.08569	9.7
156.09383	6.4
157.10173	44.8
159.08046	11.2
159.11722	31.4
161.09602	19.2
161.13252	8.2
163.11246	7.0
169.10104	16.3
171.11725	19.2
173.09682	9.0
173.13368	9.3
175.11192	10.8
175.14851	8.8
177.12787	35.0
183.11737	9.7
185.13242	18.3
187.11235	23.1
187.14856	10.6
189.16364	8.0
191.14297	7.6
194.02393	5.9
199.14812	51.2
210.19673	6.6
211.14844	9.7
213.16422	10.1
217.15927	10.4
226.02213	6.0
227.17970	8.4
241.14339	12.0
337.25275	15.5
343.08145	32.4
355.26288	90.5
356.26657	7.1
358.10690	7.2
373.13013	41.5
373.27420	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10176	0.5
53.03952	0.4
55.05520	0.6
56.05034	2.0
57.03432	0.8
61.02935	0.5
67.05492	1.0
69.03436	4.1
69.07088	0.8
69.53116	0.7
69.53484	1.3
70.06602	1.0
71.04965	0.4
72.08159	4.3
79.05488	0.4
80.91940	0.4
81.03425	0.9
81.07056	0.7
82.06592	0.7
84.04498	0.4
84.08144	87.2
85.02919	4.1
85.06533	0.9
85.08478	1.8
85.38789	0.4
86.09708	15.6
87.10018	0.6
89.03928	0.7
89.89049	0.4
91.05482	1.1
93.03423	0.5
93.07047	0.4
95.05007	0.5
95.08616	0.4
96.08136	0.9
97.02908	1.1
98.22720	0.5
99.04461	0.4
101.10790	4.4
105.07021	0.4
107.04942	0.5
109.02909	0.5
109.10130	0.4
110.06046	0.5
111.04446	0.7
111.09216	0.5
115.03922	2.9
117.03375	2.6
117.07031	0.7
125.05969	0.6
127.03920	1.0
127.08640	0.4
129.10242	62.9
130.10583	1.4
132.06633	0.4
135.04428	0.6
137.05969	1.7
145.02850	9.0
145.04906	0.9
147.08040	0.4
147.11365	0.8
149.06010	1.6
151.03932	3.4
151.05009	0.7
151.07574	0.6
152.14369	1.7
153.05470	1.4
155.07048	1.6
157.13367	0.5
161.06036	1.1
163.03928	0.9
167.07115	0.4
177.05473	21.4
179.07098	0.4
180.08575	0.5
185.12892	0.7
187.07671	0.4
189.12378	0.4
193.12035	2.6
194.02469	0.4
195.06529	11.7
195.13512	3.0
197.16504	4.9
199.18130	0.6
201.03763	4.0
201.05472	0.8
203.05278	6.7
203.07005	0.5
207.06502	0.4
211.09470	1.2
221.08084	0.9
224.17473	2.1
225.15945	1.1
239.67427	0.4
240.85956	0.4
242.18626	9.8
243.17007	0.6
245.18597	2.2
260.19669	3.2
269.10129	0.4
270.20612	0.4
271.02518	0.5
355.27319	0.6
356.20749	3.3
356.25436	1.0
373.14584	8.1
373.18402	100.0
373.28049	27.5
374.14584	0.9
374.18390	8.7
374.28391	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01860	0.6
55.96140	0.6
57.03430	0.8
60.04505	0.6
61.02925	3.0
63.91255	0.5
68.68058	0.5
69.03415	3.5
69.33605	0.5
69.57943	1.3
69.58328	1.0
70.84093	0.5
71.05031	0.8
72.08151	0.6
73.02908	0.8
81.03415	2.0
82.91813	0.6
84.04510	1.3
84.08115	0.7
85.02905	15.8
87.04488	0.8
89.03912	3.3
91.03950	1.5
91.05479	1.0
97.02885	4.6
99.04461	0.9
109.02915	1.2
117.03380	15.1
118.03711	0.8
127.03920	2.4
130.05019	2.0
134.03625	1.5
134.29599	0.6
135.04405	1.0
137.06018	0.7
145.02844	45.3
145.04922	3.3
146.03157	0.9
147.07625	3.0
149.05966	8.0
152.07024	0.6
153.05452	1.4
163.03870	2.5
177.05467	100.0
178.05829	4.6
180.08667	1.6
194.08072	0.6
195.06523	55.2
196.06871	2.3
203.05199	0.6
204.05621	0.5
212.09192	0.5
238.68219	0.5
250.14360	0.8
322.37296	0.5
325.03088	0.5
356.20657	1.4
373.18277	0.7
374.18613	17.8
375.18927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01867	1.3
57.03430	2.2
65.03926	2.2
68.28061	1.0
69.03428	17.3
69.07074	2.2
69.69657	4.7
71.04987	4.2
79.20098	1.3
79.86473	1.2
81.03413	11.5
83.79665	1.1
84.04501	4.8
84.08079	1.4
85.02904	17.6
86.09712	16.8
87.00832	12.0
89.46210	1.4
91.05477	100.0
92.05804	3.7
97.02895	31.9
97.03493	2.5
98.03231	1.3
99.04440	9.0
100.80987	1.1
102.05534	2.3
105.01878	9.2
107.05001	1.3
109.02885	4.5
119.39347	1.2
127.03907	32.2
129.06653	2.4
132.10175	5.9
137.05981	4.7
143.03401	1.4
145.04956	24.5
179.07066	1.4
195.06512	1.6
197.12949	3.4
213.04004	2.1
215.13876	5.9
225.12292	1.6
231.05008	19.4
243.13371	2.1
249.06036	9.3
265.95187	1.3
316.49329	1.2
342.19025	1.3
365.67499	1.5
374.21735	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01871	3.5
57.03432	1.8
58.88713	0.6
61.02912	1.8
65.03944	2.0
68.99782	1.4
69.03429	12.9
70.61361	0.9
71.01363	0.8
71.04996	1.6
73.02914	4.3
81.03408	11.1
85.02902	46.6
86.09698	0.7
87.00829	18.3
91.05476	100.0
92.05823	2.0
97.02261	0.9
97.02888	14.2
97.70052	0.8
99.04454	5.2
101.35409	0.7
103.03956	1.0
104.37233	0.6
105.01147	1.3
105.01859	26.8
105.07042	1.6
108.04487	2.1
109.02876	13.7
117.01848	0.9
117.06975	0.7
126.05505	1.1
127.03912	27.8
129.01839	2.0
129.06978	1.7
133.06494	0.9
145.04951	15.0
145.06456	1.0
147.02892	1.3
157.06555	1.0
159.02882	7.5
171.07967	1.2
175.07477	1.4
181.06418	0.9
189.03973	2.3
195.06476	0.9
199.07611	1.7
213.03973	1.5
217.08574	1.5
230.06773	0.7
231.04974	9.1
245.87140	0.9
247.96634	0.7
248.07584	0.8
249.06073	2.7
264.41064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
54.60271	0.3
55.01867	3.5
57.03437	2.8
58.06594	0.4
58.50800	0.3
60.54237	0.3
61.02923	2.6
64.50397	0.3
65.03943	2.8
65.93692	0.3
65.96543	0.3
67.05489	0.7
68.99786	1.3
69.03426	16.1
69.03804	0.8
69.07058	0.5
69.39606	1.5
70.06577	0.4
71.04987	2.1
73.02916	3.5
79.05495	0.5
80.04996	0.5
81.03413	11.1
83.04956	0.6
84.04501	2.0
85.02901	44.8
86.03213	0.7
86.09702	9.3
87.00824	19.4
87.04477	0.7
88.01147	0.4
91.05476	100.0
92.05813	2.5
97.02891	13.9
98.54232	0.3
99.04448	5.9
100.04903	0.4
102.05558	0.6
103.03951	1.2
105.01863	31.3
105.07041	1.9
106.59504	0.4
108.04477	2.4
109.02869	13.1
109.06508	0.4
110.09621	0.4
111.04457	0.7
113.19095	0.3
115.03926	0.9
117.01865	1.4
117.07030	0.9
119.04911	0.4
120.08111	1.0
125.05953	0.6
126.05521	1.2
127.03909	32.1
128.04274	0.8
129.01825	2.0
129.07086	1.9
129.10252	0.4
131.04938	0.6
131.08533	0.4
132.10217	1.5
133.06470	1.2
136.04745	0.3
137.05960	3.5
138.09119	1.8
143.03413	0.6
144.06607	0.6
145.04953	17.3
145.06442	1.7
147.02875	1.5
149.05966	0.7
151.03911	5.0
151.04990	0.9
153.05469	1.6
157.06444	1.1
159.02896	7.1
159.08063	0.6
161.05989	0.9
163.07545	0.8
163.27914	0.4
167.07068	0.7
169.06499	0.5
171.02835	0.7
171.08125	1.0
173.05933	0.4
175.07523	2.4
177.03984	0.5
177.09109	0.8
181.06538	1.1
187.07561	1.3
189.03947	3.0
195.06549	1.5
197.12888	1.4
199.07532	1.8
205.08661	0.8
213.04012	1.3
215.13933	2.9
217.08638	2.1
219.07887	0.4
230.06554	0.7
231.04979	9.4
235.09706	0.8
243.13382	3.1
248.07668	1.0
249.06021	3.2
266.08661	0.5
321.09653	1.7
324.18185	0.4
339.10809	0.7
356.22739	0.4
374.14679	0.3
374.21625	2.9
385.70636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05532	0.6
56.23363	0.5
57.03413	1.3
61.02920	2.7
67.05515	0.5
69.03099	0.6
69.03426	4.3
69.80460	0.8
69.80798	1.1
70.06562	0.8
71.04983	0.7
72.08154	1.6
73.02904	1.0
79.05485	0.9
81.03410	3.0
81.07059	0.7
83.04887	0.5
83.08604	0.8
84.04521	3.0
84.08155	2.6
85.02898	16.1
86.09719	1.3
89.03914	3.9
91.03928	1.0
91.05471	0.8
95.04970	0.7
96.04478	0.7
97.02892	4.6
99.04450	0.8
105.03364	0.5
107.08611	0.6
109.02869	0.8
117.03369	13.7
121.06478	0.6
127.03922	2.8
129.10234	2.2
130.04991	3.4
134.03612	0.8
135.04408	1.3
145.02841	44.6
145.04927	3.9
146.03159	1.4
146.08127	0.7
147.07620	4.6
149.05952	7.4
149.09578	0.8
153.05434	0.6
163.03870	2.3
177.05460	100.0
178.05795	3.9
180.08699	1.6
186.05421	0.6
193.12204	0.7
195.06516	50.8
196.06871	1.9
211.13258	1.4
212.09189	0.5
226.12166	0.6
250.14357	1.8
268.15384	1.1
353.97397	0.6
356.20569	2.2
374.18170	3.3
374.22321	1.1
375.15988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79138	0.2
56.55045	0.2
58.06590	0.4
69.03395	0.3
69.07069	0.3
69.47446	0.6
69.47845	0.6
71.04911	0.2
79.05479	0.3
82.56133	0.2
84.04507	0.3
84.08073	0.2
85.02891	0.7
86.09686	0.9
91.05460	1.0
93.07040	0.3
98.98463	3.0
105.07023	0.3
107.08667	0.2
117.06992	0.2
118.06539	4.4
124.99998	9.9
127.03911	0.5
132.08038	1.1
133.08806	0.7
134.09677	0.3
137.05949	0.7
144.08076	6.5
145.08698	0.3
146.09615	1.2
150.55025	0.2
158.09639	2.7
159.10410	0.9
160.11211	0.6
162.09122	2.2
172.11176	2.2
176.10786	1.3
176.14331	16.8
177.11443	0.9
177.14670	0.9
190.12183	0.9
202.15894	44.5
203.16245	2.2
220.16948	100.0
221.17296	7.1
300.13577	8.9
301.13806	0.6
307.10413	0.3
308.81671	0.3
338.21692	0.3
356.16159	0.5
356.22244	0.3
374.17212	20.2
375.17569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.9
56.96507	18.0
56.96806	1.1
57.07015	3.6
57.07276	1.3
58.06553	1.1
67.05440	3.4
69.07027	1.8
69.39237	3.4
70.06585	9.2
71.08569	2.3
72.08131	0.7
79.05465	1.2
80.94781	0.8
81.07008	1.3
82.42081	0.8
83.08537	1.0
84.95940	0.9
85.10133	1.5
88.07626	12.4
91.05446	1.2
93.06946	1.0
95.08546	1.2
97.96786	4.1
98.97523	0.9
102.09165	6.5
105.00109	1.0
105.06979	1.3
110.97513	1.7
115.00645	1.2
115.97754	1.7
116.98564	0.9
123.01131	1.6
128.98633	3.9
128.99414	0.8
131.08453	0.8
132.10184	1.8
134.59099	0.9
137.02725	1.3
141.02176	1.1
146.99586	2.1
147.02953	0.8
150.11224	0.9
153.02130	1.1
155.03658	2.2
171.03215	2.9
173.04759	3.7
175.02631	1.0
185.04759	2.6
187.02699	1.0
189.04314	1.5
190.71194	0.8
191.05994	0.9
197.08411	1.3
199.06387	2.9
201.07896	1.3
203.05850	2.7
217.07426	2.1
219.08963	1.2
225.08029	0.9
229.07465	1.5
231.08939	1.1
239.09480	1.4
243.09203	1.0
252.08876	0.7
253.11044	2.2
255.08972	1.8
263.20874	0.8
271.11893	1.1
312.32568	23.3
315.16452	1.4
333.17316	46.3
334.17670	2.8
339.18954	2.4
351.18399	100.0
352.18750	7.1
356.26614	1.8
356.35205	1.2
369.19492	34.1
370.19827	2.3
374.13004	1.1
374.20050	20.3
374.27670	2.7
374.36255	64.5
375.20477	2.0
375.25195	2.6
375.36572	2.1
392.20886	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.96568	20.7
57.07031	1.8
58.06577	0.3
63.11727	0.3
67.05518	0.3
69.07021	0.4
69.88715	0.6
69.89041	0.5
70.06601	3.5
71.08608	0.7
71.95222	0.9
72.96021	0.7
74.97603	0.6
80.94854	0.3
84.08096	0.7
84.96008	0.4
85.10139	0.8
86.09663	0.9
88.07636	5.4
91.26529	0.3
93.06955	0.4
95.04967	0.4
95.08590	0.6
97.96780	1.1
98.23006	1.0
98.97572	0.5
102.09186	3.0
105.00120	1.3
110.97562	2.6
113.09589	0.3
115.00680	0.5
115.97825	0.6
119.01704	0.5
123.01159	1.4
128.98621	3.7
132.10170	0.8
133.10063	0.4
137.02724	1.3
139.00737	0.3
141.02202	0.9
146.99655	2.1
150.11201	0.5
151.04283	0.4
152.07838	0.4
153.02173	0.7
155.03769	1.3
157.01617	0.5
159.03253	1.1
161.01166	0.5
163.04330	0.3
165.12752	0.4
167.03761	1.2
169.01689	0.6
169.05386	0.4
171.03288	1.4
171.06956	1.1
172.04121	0.3
173.04808	1.0
173.14600	0.3
175.02873	0.4
175.06415	0.6
177.05869	0.5
181.05351	0.9
183.03265	0.8
183.06920	0.6
185.04877	2.2
187.02666	0.4
189.04381	0.7
189.07950	3.6
190.04967	0.6
191.05814	0.4
192.27209	0.3
193.05231	0.4
195.06941	0.8
197.04799	1.1
197.08452	0.5
199.06393	1.8
201.04321	0.4
201.07925	0.7
203.05920	1.8
203.07483	0.4
205.07376	0.7
205.09114	0.5
207.06830	1.0
207.09033	1.4
211.06406	1.1
211.10095	0.5
213.07964	1.2
215.05902	0.4
215.09578	0.7
217.05476	0.5
217.07434	1.2
219.06857	0.9
221.04868	0.4
221.08534	0.8
223.02873	0.4
223.10147	0.4
225.07986	3.0
229.07457	0.9
231.08994	0.8
235.06393	0.5
235.10086	0.5
237.07980	3.6
239.09550	1.9
243.09023	1.5
251.09651	1.5
253.08519	0.3
253.11116	1.4
255.09009	1.8
257.10620	1.1
260.09482	0.5
263.09528	0.4
269.10684	0.6
269.14166	0.4
271.12085	0.7
279.23090	0.8
281.10626	0.7
295.12103	0.3
297.24457	0.5
305.17856	0.5
309.17334	0.6
312.32608	9.4
315.16394	1.3
333.17346	36.0
334.17709	2.7
339.18921	0.5
351.18433	100.0
352.18765	7.8
356.26654	0.4
356.35245	0.7
369.19510	27.6
370.19788	1.8
373.34982	0.5
374.20056	19.8
374.36288	24.3
375.20355	2.1
375.36636	0.9
392.21130	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	23.9
56.96841	1.4
57.05098	0.6
58.28239	0.7
60.14566	0.6
67.05494	0.8
69.76913	2.2
71.38033	0.7
71.95266	2.2
72.96047	1.0
73.41099	0.6
74.97607	0.6
79.05478	0.7
80.94838	1.8
81.07030	1.2
89.06886	0.6
91.05456	0.9
93.07040	1.1
95.08600	1.0
97.06531	0.6
97.96791	4.7
98.97569	1.7
105.00163	1.4
105.07030	1.8
110.97559	12.1
110.98289	0.8
112.99124	0.6
115.97826	2.6
116.98602	1.1
119.08588	0.8
123.01181	0.7
128.98605	13.2
129.09091	1.1
131.08505	0.6
133.10173	1.2
133.98894	1.0
137.02745	1.4
143.00153	2.4
146.99651	5.4
152.00220	0.7
157.10106	0.8
161.01228	1.5
169.01852	0.6
171.03307	1.5
172.04094	0.6
175.02782	0.9
176.03493	0.8
185.04788	0.9
189.04330	1.8
189.23228	0.6
190.05109	2.1
191.03716	0.7
191.31058	0.7
193.03748	0.8
203.05952	1.3
204.06665	1.0
208.06172	1.4
213.08115	0.9
221.08437	0.8
223.13193	0.7
227.09641	0.6
241.11073	1.7
252.10268	1.9
259.12076	1.6
263.09534	5.4
264.10269	1.0
270.11414	0.9
277.11151	1.1
281.10480	1.5
285.11771	0.7
289.11151	0.8
303.12674	2.1
313.14755	0.9
315.16251	44.3
316.16678	3.2
331.15753	1.9
333.17328	100.0
334.17673	6.7
351.18381	33.0
352.18835	2.1
356.18863	12.4
356.22638	0.8
357.19153	1.9
374.20029	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	20.1
55.05502	36.1
55.89075	6.3
57.03434	12.9
67.05495	59.7
69.07063	54.1
71.04974	9.4
72.14173	6.7
73.06525	10.3
79.05500	48.8
81.03414	24.5
81.07056	85.8
83.04972	24.5
83.08592	31.2
85.02923	7.5
85.06528	7.1
91.05466	42.2
93.07032	26.6
95.04938	34.8
95.08610	32.9
97.02822	8.4
97.06511	19.5
97.10165	27.2
99.08067	9.3
105.07056	31.0
107.04949	20.5
107.08586	39.7
109.06522	14.7
109.10136	18.8
111.04413	9.8
117.06992	15.2
119.08560	28.8
121.10128	18.4
123.04436	8.2
123.08078	17.2
125.09628	26.8
129.06894	5.8
131.08549	15.2
133.06497	8.7
133.10124	13.5
135.04300	7.0
135.08025	25.3
135.11694	16.9
137.09613	21.2
143.08510	9.2
145.10118	18.5
149.09624	10.8
151.07535	45.1
151.11142	11.5
152.07860	27.9
153.09113	10.0
153.12759	25.8
159.08075	8.2
159.11702	8.1
161.09595	14.6
163.07483	30.9
163.11079	12.6
165.09132	9.3
167.10564	7.6
173.09550	10.3
175.11186	10.8
177.09053	11.6
179.10657	7.4
179.57184	6.9
181.12265	9.3
189.09290	7.2
189.11235	19.0
191.10626	10.6
193.12253	31.6
211.13258	12.7
219.33113	6.8
223.13222	7.8
227.12714	42.7
261.18445	9.1
271.16934	19.2
272.20145	10.2
279.19601	6.4
289.17963	100.0
307.19031	79.1
321.20648	33.2
339.21667	25.0
341.17181	11.6
374.20184	19.2
374.23438	9.5
374.30457	51.3
375.21552	8.7
375.30301	8.4
383.11215	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42976	0.4
55.05508	0.4
56.96563	0.5
57.07079	7.4
58.06598	0.5
60.90068	0.4
67.05497	0.6
68.05024	0.7
69.07068	1.0
69.19784	1.3
69.20203	1.0
70.06593	16.1
71.08638	3.7
79.05486	0.5
81.07052	0.8
83.44997	0.4
84.08148	1.7
85.05282	0.5
85.10181	1.7
86.06046	0.4
86.09685	0.9
88.07631	16.8
89.32442	0.4
91.05493	0.4
97.06535	0.8
98.23567	0.6
99.45609	0.4
102.09171	0.9
105.07019	0.7
106.08671	2.5
107.29681	0.4
109.10133	0.4
114.09174	6.0
118.08649	1.8
129.09126	1.0
130.08673	0.5
132.10196	20.3
150.11261	19.8
151.07585	0.7
151.95070	0.4
152.07864	0.7
235.39867	0.4
244.04663	0.4
257.49274	0.4
278.02179	0.4
298.31113	0.8
312.32568	0.9
315.16168	0.7
330.33685	5.7
333.17270	0.6
351.18167	0.9
356.25858	0.9
374.26608	3.9
374.36285	100.0
375.26590	1.2
375.36642	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.6
57.07072	8.8
58.33224	0.6
67.05492	1.3
69.07069	1.3
70.06229	1.2
70.06590	15.1
71.08655	3.0
71.46420	0.8
76.66632	0.6
79.05479	0.8
79.78197	0.7
81.07043	1.9
84.08134	1.7
85.06535	0.6
85.10176	1.2
86.09721	0.7
88.07625	16.5
91.05494	1.0
92.80678	0.6
93.07036	1.2
95.08599	1.8
102.09163	0.9
105.07048	1.6
106.08678	1.9
107.04958	0.6
107.08563	0.9
110.97534	1.1
114.09185	6.3
118.08650	1.5
119.08575	1.3
128.98584	1.4
131.08469	0.7
132.10194	20.6
133.10355	0.6
144.08987	0.8
145.10001	0.7
150.11241	19.1
151.07501	0.7
152.07866	0.9
172.12193	0.7
175.71512	0.6
208.12012	0.7
221.10013	0.6
241.12996	0.8
298.31030	1.0
312.32535	1.4
315.16049	7.2
330.33597	4.9
333.17050	12.0
334.17746	1.7
341.21530	0.8
351.20389	7.6
352.20190	0.7
356.18942	2.6
356.28986	0.6
374.13174	0.9
374.26392	4.2
374.36270	100.0
375.17523	2.5
375.21616	1.4
375.30014	1.6
375.36664	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77383	0.1
53.41840	0.2
53.57954	0.2
55.05508	0.7
56.05036	0.3
56.80500	0.2
57.07074	7.8
58.06598	1.7
60.04511	0.2
60.77602	0.2
67.05506	0.2
68.05015	0.2
68.75710	0.2
69.07057	0.5
69.07411	0.2
69.71751	0.4
69.72141	0.4
70.06589	16.6
71.08630	2.8
72.08150	0.5
74.06084	0.2
77.78149	0.2
81.07056	0.3
83.08611	0.4
84.08141	0.4
85.10180	1.4
86.06031	0.2
86.09703	0.4
88.07626	23.2
89.07943	0.3
90.09232	0.2
91.05503	0.2
95.08588	0.2
96.11447	0.2
102.09175	14.6
103.09505	0.2
105.07011	0.2
107.08571	0.3
116.50390	0.2
119.08549	0.2
132.10188	1.1
146.11787	0.7
150.11285	1.0
201.63162	0.2
217.28439	0.1
266.28436	0.2
268.30081	0.9
286.30963	0.6
294.31680	0.3
312.32574	42.2
312.74948	0.2
313.32874	3.1
315.19327	0.7
356.26337	0.2
356.35220	3.3
374.36261	100.0
375.21072	1.0
375.25497	0.4
375.36606	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.85535	0.2
57.07074	7.7
58.06600	1.9
63.09065	0.2
68.05008	0.5
69.07046	0.3
69.89809	0.3
69.90146	0.4
70.06592	17.4
71.08273	0.3
71.08628	3.2
72.08117	0.8
72.08480	0.2
74.06080	0.3
84.08108	0.5
85.10179	1.4
86.09673	0.3
88.07627	24.5
89.07898	0.3
98.23477	0.4
102.09177	14.6
124.28456	0.2
132.10155	0.9
146.11746	0.6
150.11221	1.0
172.26736	0.2
268.30045	0.7
286.31024	0.4
294.31668	0.3
312.32587	45.3
313.32883	3.0
356.35193	3.1
356.92920	0.2
374.36270	100.0
375.36603	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.03947	0.7
55.01881	2.1
56.38872	0.7
61.36283	1.0
65.03940	5.9
66.04264	0.9
67.05497	2.8
69.03425	2.6
69.07048	0.9
69.09140	3.6
69.09547	1.4
70.80882	0.7
71.04996	0.8
73.02924	0.9
79.05493	2.1
81.03420	2.2
81.07059	1.4
81.55626	0.7
82.03752	0.9
84.04482	1.5
85.02905	8.0
86.03240	1.4
86.09705	7.4
87.00813	3.2
87.10036	2.1
91.05480	15.9
92.05814	7.3
93.03410	5.5
93.07027	1.9
94.04214	1.0
95.04962	3.1
96.08138	1.1
97.02884	1.3
97.06551	1.0
99.04452	0.8
102.05589	1.0
103.05449	3.7
105.01852	5.4
105.07016	3.7
106.02201	1.2
107.04978	1.8
108.02108	2.7
108.08089	1.1
109.02869	2.7
109.06530	1.2
110.09682	1.7
111.04440	7.2
115.05462	2.1
117.07023	1.8
119.04926	0.9
119.08572	1.3
120.08118	5.4
121.06538	2.0
121.08899	1.4
122.03671	2.6
123.04422	1.7
125.06001	8.6
127.03945	4.7
128.04274	2.1
128.06177	1.2
129.07019	2.9
131.04941	3.3
132.10214	0.9
133.06499	3.1
135.08089	2.2
137.05978	38.8
138.06293	1.2
138.09158	8.4
141.05478	2.8
143.04916	0.8
144.05721	1.4
145.04971	1.8
145.06459	2.8
147.04417	1.2
147.08032	3.3
149.06006	4.3
151.03917	100.0
151.05034	12.0
152.04282	3.1
153.05466	17.5
156.05531	0.8
159.08069	4.9
160.05202	2.1
161.05986	14.9
162.06694	1.4
163.07538	6.4
167.07048	9.0
175.07545	16.7
176.07863	0.9
177.09126	2.4
179.08563	1.3
181.04942	1.2
187.07541	24.4
191.08496	1.8
193.06801	1.1
193.08586	6.2
200.07745	0.8
203.07065	3.3
203.10776	0.9
205.08624	12.6
207.08150	1.7
215.07085	2.8
215.13911	0.9
216.14233	1.0
219.08040	3.1
235.07491	1.5
236.08302	0.9
243.13483	1.8
244.13660	1.8
247.07521	1.3
251.10718	4.2
253.08698	0.8
265.08807	1.1
267.09915	0.8
279.10257	5.3
291.32608	0.8
294.08768	1.3
295.09473	1.1
296.10373	0.7
297.11279	1.4
299.12738	1.2
309.11234	1.1
311.12857	7.3
327.12433	4.2
329.14929	3.0
339.12311	3.3
347.15836	1.6
357.13324	2.8
357.17307	0.8
375.15128	1.4
375.22235	2.4
376.13712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03944	0.7
55.01870	7.8
55.35772	0.8
65.03932	5.2
67.05495	3.2
69.53824	2.7
71.01350	5.4
72.08150	0.9
73.45274	0.7
79.05497	8.6
81.03418	2.7
81.07050	2.8
85.02932	1.2
91.05479	67.7
92.05818	2.1
93.03405	2.0
93.07051	2.1
95.04969	8.1
95.08669	1.0
103.05457	6.7
105.03386	20.1
105.04512	1.9
105.07026	6.3
107.04949	9.3
108.02100	1.8
108.05740	1.9
108.15972	0.9
109.02905	1.8
109.06516	15.1
111.04437	3.1
115.05439	1.7
118.04164	5.1
119.04942	100.0
120.05274	3.2
121.06494	4.6
122.03625	1.1
122.07318	1.1
123.04447	4.3
123.08065	5.9
124.05217	8.3
125.05996	4.9
129.07028	1.3
131.04918	5.9
131.05931	1.6
133.02859	1.8
133.06503	6.0
135.04402	8.4
135.08057	3.5
136.05122	2.6
137.05974	26.3
138.06329	0.8
141.05487	2.0
144.05717	0.8
145.06410	0.8
146.03630	3.4
147.04408	26.0
147.05591	1.3
148.04770	0.8
149.05972	4.4
150.06767	5.7
151.03909	86.0
151.04980	6.5
151.07532	60.2
152.04268	2.3
152.08014	2.7
153.05455	8.5
156.08286	0.7
157.06517	1.1
159.08006	1.9
159.61258	0.7
161.05981	10.9
163.03949	3.3
163.07532	2.6
165.05473	6.5
167.07042	5.0
167.49692	0.9
171.95096	0.9
172.05266	1.1
175.07512	4.8
176.07805	0.8
177.05426	5.5
177.09126	1.1
178.04684	1.4
178.06245	23.1
178.07727	1.5
179.07025	37.8
180.07761	4.3
187.07558	7.3
189.08977	0.9
193.08531	1.9
195.06499	8.4
195.08102	0.9
196.07281	12.9
203.07007	1.5
203.31168	0.7
205.08583	4.3
215.07074	1.3
219.08131	1.0
223.09720	1.9
239.10555	0.8
279.10342	2.0
311.12787	1.2
325.10504	1.2
327.12189	1.5
334.71472	0.8
357.13235	2.0
375.14554	1.5
375.21564	2.7
376.32492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	7.6
66.44075	0.7
67.05499	1.3
70.06594	1.0
72.08158	0.7
79.05502	1.6
81.03419	0.9
81.07067	1.0
85.02897	0.9
86.06151	0.7
86.09706	1.2
91.05486	1.8
92.04993	2.2
93.07040	2.3
94.06550	1.4
95.04965	1.7
95.07351	1.0
95.08607	0.8
96.08118	2.5
97.06600	0.8
98.19093	0.7
99.04418	1.1
103.05449	1.6
105.07031	1.2
107.04996	0.8
107.08640	0.7
108.08119	7.1
109.02881	1.4
110.05976	0.7
110.09684	4.5
116.04965	1.6
117.07024	0.9
120.04490	9.0
120.08134	4.7
122.03635	1.9
122.06037	3.2
123.04449	1.2
124.07599	1.1
127.03906	2.7
129.06973	1.2
131.04939	3.2
133.06461	1.5
135.08029	1.5
136.07593	4.0
137.05989	22.7
138.09154	4.4
144.04463	3.7
146.05977	1.1
148.03938	100.0
149.04285	3.1
151.03986	1.0
151.07536	3.5
153.05492	1.1
154.08630	1.5
161.05984	1.4
162.05521	3.7
163.07555	7.2
165.08987	0.9
166.05014	20.1
166.08640	10.6
167.07037	9.3
172.03931	18.3
175.07594	1.2
177.09023	0.9
187.07535	0.9
190.04997	8.7
204.06569	29.5
205.06895	1.9
222.07594	0.7
227.11821	2.3
245.12888	0.8
255.11293	16.7
261.66708	0.8
273.12360	11.0
283.10782	13.9
301.11835	84.9
302.12167	4.7
319.12988	5.0
325.11664	2.3
343.12906	17.1
344.13297	1.8
357.14160	0.9
375.21362	2.4
376.17499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
51.31421	0.3
53.03935	0.4
55.01873	0.3
55.05513	0.4
58.06620	0.3
65.03186	0.2
66.04713	0.4
67.05515	0.7
69.03413	0.4
69.07063	0.4
69.34628	0.9
69.35030	0.5
70.06607	0.6
77.03934	0.4
78.04721	1.0
79.05486	3.6
81.03383	0.4
81.07070	1.1
85.02896	0.5
86.09721	0.6
91.05475	3.3
93.07053	0.4
94.04183	3.6
95.04980	1.3
95.08594	0.5
97.06564	0.4
98.00863	0.3
103.05467	8.9
105.03434	0.4
105.07032	4.3
106.04192	0.9
107.04947	5.6
109.06525	1.5
111.04434	0.3
115.05443	1.6
116.07117	0.5
117.07024	0.7
119.04922	1.1
121.06496	1.6
121.10149	0.5
122.03648	9.4
123.04449	3.6
123.08072	1.0
124.05194	1.8
125.05979	0.5
128.06215	0.4
129.07005	1.2
131.04924	14.3
131.08525	0.4
133.06497	5.0
135.08051	4.3
136.05211	0.4
137.05974	100.0
138.06284	3.1
141.06950	0.5
143.04922	1.0
143.08510	0.4
144.05739	0.5
145.06503	1.4
147.04401	1.1
147.08047	1.7
149.05966	0.8
151.03938	0.7
151.07544	8.5
152.04651	1.0
153.05481	0.7
157.06525	1.1
159.08018	0.5
160.05228	0.8
161.06017	2.2
163.07541	35.0
164.07922	1.1
165.09114	1.1
166.08659	0.5
167.07033	42.1
168.07336	1.9
169.06476	0.3
171.07990	0.5
172.05176	0.5
173.05898	0.4
175.07535	4.2
177.09050	0.5
177.16391	0.6
178.70715	0.4
179.07031	1.0
181.08585	0.9
187.07518	2.2
188.08330	0.3
189.09116	1.8
193.08621	4.1
201.09094	0.7
203.10681	1.1
204.06557	0.5
205.08466	0.4
205.10204	0.7
207.10184	0.9
219.10172	1.4
226.38246	0.3
233.09483	1.1
233.11676	0.6
247.49327	0.3
261.09189	0.6
265.12219	0.9
277.39325	0.3
278.09363	0.4
281.50113	0.3
285.11078	0.4
293.11646	2.2
325.10809	0.5
325.14307	4.7
327.12552	0.4
341.17245	0.3
342.14713	0.4
357.13315	0.5
357.16959	3.3
358.17392	0.3
375.18271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78115	0.7
54.15908	0.7
55.01862	0.9
55.05509	2.9
56.05030	1.5
56.39260	0.7
62.94751	0.7
64.80762	0.7
67.05492	3.0
69.03410	1.5
69.07043	1.3
70.06593	1.0
71.04994	1.2
79.05480	3.6
81.03416	12.2
81.07069	5.0
83.04978	3.9
83.08632	4.2
84.04501	58.5
85.02892	1.3
91.05492	3.4
93.07032	3.1
95.04960	4.6
95.08595	1.9
96.04504	1.5
97.02884	2.3
98.06026	1.3
101.07148	4.5
102.05524	3.5
105.07016	2.5
107.04981	1.1
107.08577	1.5
109.06508	1.0
109.10167	0.8
111.08057	2.0
119.08575	2.5
121.10132	1.5
123.04527	0.9
126.05536	1.8
129.06999	0.9
130.04997	91.0
131.08554	2.0
133.06477	0.8
133.10109	2.1
137.05946	4.4
137.09616	1.0
147.07635	100.0
147.11668	1.8
148.06047	7.2
148.07996	1.8
149.09641	3.2
157.10080	2.0
175.11206	2.2
189.08702	0.8
193.12221	8.8
211.13281	24.3
222.14928	1.3
235.88431	0.8
250.14343	6.8
268.15439	2.7
272.17374	1.1
331.18417	1.1
358.18674	1.7
375.12607	3.3
375.19812	35.0
376.19574	1.3
376.23730	1.5
378.83820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.07087	9.7
58.06596	3.0
65.65379	0.9
67.05508	2.0
67.70419	1.0
69.07064	2.4
69.62787	3.3
70.06596	22.5
71.08632	3.2
79.05508	2.4
81.07055	2.6
83.01112	2.4
85.10189	1.4
88.07638	27.7
89.07970	1.6
91.05499	1.0
93.07039	1.7
95.08630	1.9
98.22955	2.8
99.73413	0.9
102.09185	17.8
103.09528	1.2
105.07036	0.9
107.08615	1.2
119.08627	1.6
131.08607	0.9
132.10271	1.1
146.11751	0.9
150.11324	1.5
152.65669	0.8
172.87901	0.9
172.94231	0.9
184.65877	0.9
231.35384	0.8
246.12297	1.9
265.23114	0.9
277.14096	12.4
297.18372	1.2
310.48889	0.9
312.32611	39.2
313.32938	19.4
315.19315	46.3
316.19687	3.9
344.65271	0.9
356.35220	2.2
357.35599	1.6
374.36313	100.0
375.21448	94.6
375.36658	53.8
376.21814	6.2
390.31589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
63.81779	0.4
67.05500	1.3
69.07053	0.8
71.45967	0.4
79.05508	0.7
80.06116	0.5
81.07064	1.1
93.07055	0.7
95.04946	0.8
95.08594	0.7
107.08552	0.5
113.64527	0.5
119.08585	0.5
121.10175	0.8
123.16937	0.5
126.55664	0.5
148.95879	0.5
163.11250	0.6
179.05750	0.5
185.06384	0.5
201.09738	1.0
233.10329	0.5
239.11264	1.2
244.14632	1.1
251.11241	2.6
255.06006	0.5
257.12433	1.2
269.12381	5.5
292.13858	0.5
317.19467	0.9
335.20715	2.1
352.20535	2.9
353.21875	4.7
357.24493	0.7
358.22726	0.6
375.25043	100.0
376.25430	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03942	3.0
55.01870	2.5
55.05513	15.7
57.07083	4.2
59.05002	1.1
59.93306	0.6
65.03933	2.7
65.95351	0.6
67.05506	25.5
69.03421	1.3
69.07068	12.8
69.71453	2.0
71.04993	2.9
77.03561	0.7
77.03911	3.5
79.05495	32.1
80.06293	0.6
81.03419	1.5
81.07057	51.6
82.07378	1.7
83.04972	3.3
83.08630	4.3
85.06509	1.0
88.07635	1.2
91.05481	56.1
92.05794	1.4
93.07045	76.1
94.07350	1.1
95.04969	41.6
95.08608	40.6
96.05317	1.0
96.08949	1.2
97.06538	9.6
97.10200	0.6
103.05463	3.9
104.06316	0.7
105.04555	5.5
105.07030	100.0
106.07294	1.2
106.07895	1.5
107.04962	1.4
107.08591	43.7
108.08887	1.2
109.06521	11.8
109.10154	25.3
113.00025	1.5
115.05453	4.9
116.06233	2.7
117.07015	18.8
119.06091	2.0
119.08582	78.9
120.08910	1.2
121.06497	14.0
121.10144	65.4
122.10480	1.9
123.08074	6.9
123.11711	5.1
128.06221	7.6
129.05524	0.7
129.07016	14.8
130.07803	7.1
131.08569	46.3
132.09344	1.2
133.06485	1.9
133.07614	2.0
133.10130	39.7
134.10477	1.2
135.08066	2.5
135.11694	16.5
137.09656	1.0
137.13254	0.7
141.06989	6.3
142.07785	16.4
143.08563	29.3
144.09351	8.3
145.06476	1.8
145.10123	53.2
146.07198	0.9
146.10529	1.7
147.08066	3.1
147.11685	19.0
149.09607	1.4
149.13297	1.2
153.07001	2.4
154.07777	3.0
155.08559	9.7
156.09341	8.7
157.10124	38.7
158.07382	1.1
158.10896	4.7
159.08086	4.1
159.11696	30.0
160.12146	0.9
161.09616	11.6
161.13258	4.8
163.11171	2.0
163.14835	0.7
165.07039	2.8
166.07779	2.7
167.08588	5.8
168.09325	3.9
169.02617	1.5
169.10118	16.0
170.10849	4.1
171.11687	15.7
172.08849	0.9
172.12479	2.0
173.09639	3.2
173.13266	18.1
175.11183	7.7
175.14836	9.0
179.08591	5.0
180.09370	2.2
181.10114	8.2
182.10870	4.3
183.08125	0.8
183.11687	11.7
184.12328	1.1
185.09665	1.5
185.13258	8.4
186.14043	1.6
187.11188	6.8
187.14818	14.0
188.15248	0.8
189.12794	1.9
189.16441	1.0
192.09361	1.3
193.10150	5.1
194.10898	3.3
195.11670	10.7
196.12427	2.9
197.09602	1.1
197.13272	11.6
198.13939	1.8
199.11266	1.4
199.14803	9.4
201.12758	1.7
201.16397	4.9
205.10167	2.1
206.10896	2.2
207.11679	4.9
208.12410	1.6
209.13231	10.3
210.13965	3.3
211.14819	6.7
213.12674	1.1
213.16423	3.0
215.14445	1.5
219.11696	2.0
220.12497	2.7
221.13252	4.0
222.14230	0.8
223.14825	5.4
224.15691	1.2
225.12791	0.9
225.16328	5.1
227.14243	0.8
231.11687	1.1
232.12473	0.9
233.13184	1.8
235.14821	4.2
237.16437	2.0
239.14297	1.5
239.18016	2.3
241.19510	1.6
247.14844	1.0
249.16484	2.0
251.17963	1.8
253.15926	3.1
253.19603	3.8
255.17386	0.8
259.14789	1.1
263.18021	0.8
265.19495	3.7
266.20197	3.7
267.21100	1.4
271.14911	0.8
275.17941	1.4
277.19485	1.3
279.21112	2.2
281.19073	0.9
291.21194	1.0
307.20514	1.1
319.20557	3.0
333.22263	0.8
347.27362	1.8
357.25925	1.7
374.36356	1.0
375.15933	1.0
375.26776	20.6
375.36722	3.0
376.27017	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.05502	17.6
55.95752	3.6
57.07062	5.4
62.73443	3.2
65.16093	3.3
67.05502	36.2
69.07063	13.9
69.64997	9.5
69.65384	5.8
77.03886	3.3
79.05492	38.5
81.07052	50.3
83.04964	4.5
83.08614	8.7
91.05477	67.0
93.06457	4.1
93.07043	81.7
95.04973	45.5
95.05546	5.0
95.08595	41.2
97.06527	11.4
103.05493	5.5
104.79100	3.6
105.04551	6.2
105.07023	100.0
107.08575	46.2
109.06520	15.2
109.10178	23.2
115.05418	6.1
117.07042	17.0
119.08571	91.7
119.09418	5.3
119.85576	3.5
121.06502	10.6
121.10138	68.1
123.08052	5.1
123.11745	4.6
123.48401	3.3
128.06184	6.6
129.07016	17.3
130.07802	7.4
131.08549	49.4
133.10126	45.5
135.11714	14.7
141.06966	5.5
142.07799	22.5
143.08574	24.0
144.09344	10.2
145.10124	56.8
147.08102	4.1
147.11678	13.8
149.09599	4.2
154.07719	4.9
155.08569	10.4
156.09323	12.0
157.10117	43.0
158.10869	3.6
159.11668	29.3
161.09625	11.2
163.11098	3.3
167.08511	4.7
169.10088	19.0
170.10806	4.6
171.11627	18.6
173.09682	5.4
173.13248	11.5
175.11194	8.4
175.14824	6.9
179.08507	5.0
180.09293	3.7
181.10178	7.7
183.11678	14.6
185.09720	3.8
185.13220	7.4
187.11096	5.6
187.14803	16.1
193.10091	4.7
194.11006	4.1
195.11749	8.2
197.13281	9.0
199.14894	8.1
201.16449	4.1
207.11816	4.3
208.51186	3.2
209.13312	8.5
211.14758	4.8
225.16411	5.3
235.14810	5.8
237.16219	4.3
251.32143	3.5
253.19714	3.5
267.20746	4.0
291.38635	3.6
375.25137	21.6
375.36435	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2896
Annotation	3b-Hydroxy-5-cholenoic acid
Peak:m/z	Relative Intensity
55.05291	2.1
55.05511	12.6
57.07089	8.0
67.05510	17.5
69.07079	7.5
69.15295	13.2
74.64853	1.8
75.59784	2.1
79.05513	16.7
81.07062	21.6
83.08643	4.3
91.05483	15.3
93.07056	16.9
95.04986	2.9
95.08627	12.0
97.10199	2.5
103.06157	2.0
105.07031	13.2
107.08630	10.5
109.06538	4.3
109.10170	4.4
109.98737	2.1
117.07044	5.3
118.74542	2.0
119.08578	11.4
121.06528	4.6
121.08936	2.4
121.10168	7.0
127.00302	2.0
129.07083	2.2
129.28778	1.9
131.08607	7.4
133.10152	13.7
135.08073	3.5
135.11690	3.7
143.08679	2.1
144.33669	2.2
145.10156	8.2
147.08142	2.4
147.11708	3.7
148.07623	5.9
149.08408	2.6
149.09521	4.0
152.47260	2.1
157.10071	3.8
159.11745	6.7
161.09633	2.6
161.13286	3.7
162.09145	16.9
163.09892	4.8
175.11113	2.3
203.18063	2.4
217.15845	2.9
219.17451	5.5
229.19437	2.1
231.17598	3.0
245.19028	3.8
259.20468	1.9
303.70166	2.1
329.28140	3.7
339.26831	4.9
357.27875	80.4
358.28168	8.8
359.13174	3.1
360.14337	5.9
361.14633	2.4
374.15573	4.6
375.16312	37.3
376.17447	12.3
376.28500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98968	0.6
55.01865	1.2
56.05014	0.6
69.03419	3.2
69.46001	0.5
69.83679	1.4
69.84034	1.4
69.87862	0.6
70.06593	1.7
79.05479	0.7
81.07047	0.8
84.08139	3.4
85.02903	5.3
86.09708	1.8
91.05473	1.7
95.08623	0.5
96.90784	0.6
97.02869	1.1
106.06553	15.5
107.06905	0.9
118.06554	0.8
119.04934	0.8
121.02884	0.6
123.68653	0.8
127.03893	1.2
130.06534	3.2
130.08606	1.3
131.04945	1.0
131.07291	0.8
133.10176	0.6
134.06044	0.7
137.05988	9.5
144.08080	10.7
145.04988	1.3
147.11302	1.3
154.06421	1.1
160.07542	0.8
162.09135	44.6
163.09476	1.4
172.07553	4.9
177.05515	0.8
179.07034	3.8
187.05762	34.5
190.08618	38.6
191.08958	1.2
197.08188	1.0
211.13387	0.7
212.06821	13.9
321.50784	0.6
376.13623	100.0
377.13947	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01858	1.3
56.05009	0.4
57.03425	1.6
61.02916	2.4
63.10625	0.5
67.05482	0.9
69.03432	6.6
69.86193	1.2
71.04989	1.5
73.02912	1.1
79.05486	1.5
81.03423	2.7
81.07066	0.6
82.06552	0.6
84.04498	4.0
84.08136	1.0
85.02906	24.7
85.08455	0.7
86.09711	0.7
87.04461	0.9
91.03973	1.2
91.05482	1.5
93.07024	1.1
95.04970	0.8
96.04482	2.2
97.02898	6.0
99.04451	1.0
105.07000	0.5
106.06544	4.3
109.02868	1.3
121.00184	0.5
121.02814	0.5
121.10141	0.7
122.03636	1.1
124.03938	0.9
127.03915	4.5
130.05014	2.1
130.06477	0.6
130.43991	0.6
134.06036	0.7
137.05974	100.0
138.06339	2.5
144.08128	3.5
145.04959	5.8
147.07661	1.4
148.06021	2.8
149.09625	1.7
151.07532	1.6
156.46451	0.5
162.09142	10.7
172.07611	1.2
175.86086	0.5
179.07031	38.4
180.07332	1.0
180.08601	2.6
182.79407	0.5
187.05785	13.3
190.08612	9.5
191.08907	0.7
193.12230	1.3
197.08086	6.8
204.13834	0.6
211.13293	2.7
212.06857	2.5
212.13618	0.6
214.10756	0.9
215.12555	0.5
218.94554	0.6
222.14687	0.5
250.14409	4.1
251.14815	1.1
268.15417	1.9
286.01468	0.5
286.16531	0.8
314.16116	1.0
332.17096	2.3
358.18414	1.1
376.13666	28.5
376.19189	1.6
377.13846	1.9
377.17996	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.4
55.05512	3.2
56.05024	4.7
57.03432	4.1
60.04521	2.4
63.49979	1.9
67.05502	6.1
68.05033	6.3
69.03432	4.6
70.06593	7.3
71.04997	3.0
71.45453	1.6
72.04530	2.0
77.18379	1.7
79.05091	1.7
79.05500	7.5
80.05009	4.5
81.03415	16.5
81.07049	10.3
82.06573	3.1
83.04973	7.2
83.08616	7.9
84.04502	39.7
84.08125	3.6
85.02910	12.8
85.04836	2.3
86.09707	3.2
91.05470	10.7
93.07043	7.3
94.06572	2.4
95.04977	6.1
95.08629	3.2
96.04481	18.0
97.02885	2.8
97.06528	2.0
97.10149	2.1
98.06042	13.4
102.05544	8.7
103.05451	3.0
105.07038	5.4
107.04942	2.1
107.08578	4.7
109.06505	2.5
111.04392	3.0
111.08083	2.5
114.05524	3.8
119.04962	5.9
119.08592	4.5
121.06439	1.7
121.10138	5.9
122.03655	2.5
124.03932	4.3
130.05003	30.9
131.05342	4.4
131.08580	4.1
133.06532	3.3
133.10074	3.1
135.08084	2.2
137.05974	28.1
138.06355	10.4
139.11221	2.6
140.04666	16.1
140.07066	2.7
142.04965	2.5
146.08141	4.2
147.04454	2.9
147.07611	13.9
147.11765	2.2
148.06046	40.4
148.07941	3.5
149.09633	7.9
151.03854	1.7
151.07500	4.3
153.05400	5.0
155.07024	31.7
157.10103	4.0
161.05968	2.6
163.07516	5.8
164.07861	6.3
167.07016	7.3
167.10654	2.4
168.07397	5.4
172.06012	4.9
175.11176	3.4
179.07074	7.4
190.07082	40.2
193.12241	18.2
194.12700	2.3
194.15286	3.7
197.08076	100.0
198.08366	3.6
204.13910	6.0
211.13281	46.6
212.13680	5.9
214.12097	2.1
220.86993	2.2
222.14926	6.4
232.13177	4.2
250.14374	37.9
251.14832	4.7
268.15399	15.6
286.16406	6.7
296.14929	2.3
314.15991	9.0
332.16901	16.8
340.17548	2.4
358.18527	15.4
376.15063	3.8
376.19550	18.8
376.23450	5.1
377.19998	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12403	2.1
55.05512	8.1
56.05028	3.9
57.03437	3.1
60.75423	1.9
67.05506	14.8
69.03436	4.6
69.07082	3.6
71.04978	3.3
71.06927	3.6
79.05493	11.7
81.03413	36.2
81.07059	14.6
82.03754	2.5
82.06595	3.8
83.04976	12.2
83.08611	11.2
84.04502	84.1
85.02903	11.8
85.04859	3.4
91.05474	13.2
93.07056	8.4
93.12566	1.8
95.04971	13.3
95.08628	5.2
96.04501	6.6
97.02904	2.7
97.06528	2.9
97.10199	2.2
97.67620	1.7
98.35450	2.0
102.05546	21.6
105.07030	6.5
107.04949	3.6
107.08571	5.2
110.06039	2.5
111.04573	2.3
111.08109	5.4
119.04923	2.1
119.08598	8.5
120.47958	1.9
121.10151	7.8
123.08001	2.5
124.03963	3.8
129.07014	5.3
130.05003	78.2
131.05376	9.3
131.08566	7.9
133.06519	2.1
133.10139	7.7
137.05994	3.4
138.06337	3.8
142.01514	2.3
142.07811	2.0
147.07655	17.6
147.11633	9.3
148.06047	100.0
148.08011	5.8
149.09589	16.7
157.10147	7.5
164.07068	1.8
165.12724	2.7
172.08704	3.2
175.11215	11.1
184.13306	2.7
192.10225	2.9
193.12251	30.5
194.12555	3.2
194.15483	3.0
197.11890	3.2
204.13754	3.7
211.13286	88.8
212.13690	8.0
222.14896	4.6
243.08813	4.8
250.14392	24.4
268.15491	6.9
276.15845	2.7
286.16620	2.6
312.18103	2.8
314.15958	10.5
322.16434	2.1
332.17041	3.7
340.17535	5.4
358.18524	14.6
376.23312	4.0
377.14288	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12268	0.3
52.44048	0.3
55.05503	0.5
55.69083	0.3
56.96566	17.9
57.07064	0.6
59.90059	0.3
65.00311	0.4
67.05475	0.3
69.11176	2.6
70.06599	1.3
71.95271	1.5
72.96066	0.5
74.97620	0.5
80.94878	0.5
81.07056	0.5
84.96017	0.4
88.07642	0.7
89.07996	0.4
95.08649	0.6
97.96803	3.4
98.23173	2.1
98.97604	1.1
102.09190	0.5
105.00168	0.8
110.97561	7.2
115.97864	1.4
123.01199	1.0
124.99207	0.4
128.98610	8.0
129.16454	0.4
130.08607	0.4
133.98946	0.8
137.02742	0.9
143.00153	1.8
146.99661	4.0
152.00183	0.7
157.26591	0.4
158.12448	0.4
161.01201	1.1
165.00781	0.4
171.03279	0.8
172.85526	0.4
176.03603	0.7
183.03320	0.6
185.04898	0.5
189.04390	1.1
190.05136	0.8
197.04720	0.4
199.06339	0.5
203.03957	0.3
203.05914	0.9
204.06827	0.5
205.07430	0.9
209.08603	0.6
217.07542	0.4
228.76880	0.5
235.06578	0.4
259.09888	0.5
263.09552	1.4
265.11163	0.4
277.11151	1.7
278.11920	0.5
281.10242	0.3
291.12674	0.8
296.12869	0.5
313.32965	1.1
314.33380	0.4
315.16281	0.6
316.19617	0.7
317.17856	31.0
318.18298	3.0
333.17328	2.4
335.18930	100.0
336.19241	6.8
353.19992	24.4
354.20370	1.5
358.20532	13.4
359.20834	1.6
371.21326	0.5
375.36646	5.4
376.21552	4.4
376.25482	0.7
376.36862	1.7
392.21133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2484
Annotation	Spiramine W
Peak:m/z	Relative Intensity
55.05488	0.7
62.52895	0.4
67.05499	0.9
69.07066	0.5
70.27893	0.8
79.05482	0.7
81.07072	0.6
83.58583	0.3
87.04467	18.5
91.05462	0.6
93.07050	0.7
95.04989	0.4
95.08611	0.6
105.07021	0.7
107.08595	0.7
109.06543	0.6
109.10188	0.4
116.49476	0.4
117.05752	0.7
118.06544	7.3
118.07317	0.6
119.04934	0.4
119.08607	0.6
120.08138	0.3
121.10210	0.4
130.06540	1.3
131.07300	1.8
132.08083	5.2
133.08839	1.2
137.09581	0.4
144.08109	0.7
145.08888	0.5
146.09645	3.4
153.47025	0.3
158.09691	0.5
160.11232	1.1
168.07358	0.4
174.12729	0.5
218.11827	0.4
244.20653	1.3
272.20074	31.4
273.20474	1.7
290.21124	22.8
291.21527	1.3
297.07327	0.4
358.23770	0.4
376.24811	100.0
377.25180	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	2.1
69.03421	1.2
70.05712	1.7
71.04982	1.8
79.05474	2.5
81.03410	1.3
81.07043	2.7
87.04465	9.7
91.05453	2.6
93.07052	1.8
95.04948	1.4
95.08609	1.3
97.06525	1.5
101.05970	1.3
105.07008	2.1
107.08571	1.7
109.06419	1.4
109.10173	0.9
117.07005	1.3
118.06544	5.5
119.06837	1.2
121.06411	1.0
127.00014	6.1
130.06618	0.9
131.08524	0.9
132.08041	1.5
133.10118	1.2
140.11830	0.9
145.10103	1.6
146.09598	2.0
159.08206	0.9
160.11201	2.1
161.11523	1.1
161.13374	0.9
215.08728	0.9
224.52574	0.9
229.12007	6.1
244.20598	1.5
248.04576	1.5
253.06136	1.7
263.06915	1.1
271.07169	4.9
272.20084	11.7
273.10995	20.3
273.20456	9.1
276.04089	3.1
285.08405	1.2
289.13998	1.5
290.21094	5.9
291.06454	3.7
291.11893	6.7
291.21448	5.9
292.06891	1.2
319.06055	1.4
330.08237	1.6
332.03192	0.9
333.13065	15.6
334.04608	1.2
345.10870	2.3
347.05466	2.2
359.18533	1.0
369.12781	1.0
376.24728	21.8
376.28986	1.7
377.06613	15.0
377.11990	100.0
377.25162	37.2
378.07312	1.8
378.12289	7.4
378.26511	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03921	1.8
55.01854	0.9
55.05500	0.5
57.03437	7.7
57.58716	0.4
59.04993	0.8
61.02932	3.6
65.28558	0.4
69.03428	14.7
69.78200	0.9
69.78532	0.8
70.06571	0.4
71.01346	2.5
71.04997	3.6
73.02917	2.5
75.04477	2.6
81.03418	4.6
84.04469	1.1
99.04457	4.9
117.05455	1.1
130.04999	0.9
130.06514	0.4
131.05241	0.4
131.80627	0.5
137.05962	1.3
145.07602	2.3
148.06029	0.7
157.06371	0.6
159.09047	0.5
170.07080	1.4
172.08687	27.9
173.08972	0.7
174.10268	0.5
175.08646	0.5
190.09778	1.4
197.09474	0.5
198.06622	7.3
200.08224	4.5
211.13371	0.8
212.13579	0.5
214.09712	0.5
216.07664	14.9
217.08067	0.5
218.09236	0.7
224.11806	0.6
243.08763	68.8
244.06944	0.8
244.09253	2.7
251.14757	0.6
316.12686	0.4
342.90588	0.4
359.13440	2.5
377.14542	100.0
378.14914	6.2
386.52542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05507	4.9
56.05034	1.4
56.29416	0.7
57.03432	6.7
57.07069	2.2
58.99579	5.1
59.10669	0.6
61.01147	2.6
62.99059	1.3
67.05503	14.0
69.03436	5.8
69.07067	9.7
71.04991	2.6
71.08636	5.6
75.02718	0.7
76.02222	16.5
77.00629	1.5
79.05508	1.9
81.03418	3.7
81.07056	3.8
83.04964	1.1
83.08601	3.2
84.04502	36.7
85.02908	4.9
85.06523	1.4
86.99049	3.7
87.00837	1.0
87.28006	0.6
88.04017	0.9
89.00612	8.4
91.05469	2.2
93.07029	1.4
95.08604	1.5
97.02898	1.4
97.10168	4.4
99.02660	0.7
99.04441	2.5
99.08099	3.7
101.60750	0.6
102.05529	1.9
105.00085	6.7
105.01845	1.0
105.07038	1.7
106.50217	0.7
107.08587	2.0
109.02884	3.1
109.10162	11.8
111.04395	1.0
111.11726	1.2
118.06511	1.2
120.08086	0.9
122.02724	88.3
122.67455	0.7
123.03110	0.7
123.08085	1.0
125.09594	0.8
127.03920	6.0
127.11185	25.3
128.11526	1.0
129.12738	0.9
130.04994	7.3
135.08064	0.9
137.05930	0.8
142.03203	7.5
145.04961	0.7
145.10088	0.9
157.10333	0.8
159.08385	100.0
160.08711	3.4
163.07574	0.7
163.11266	0.7
173.09564	0.7
181.12177	0.7
184.11378	0.7
188.03770	8.0
202.12556	5.0
230.12202	0.8
230.15384	2.4
231.04944	2.3
231.10431	3.4
234.04308	1.7
248.13150	47.1
249.13467	2.1
251.06989	5.2
261.17010	0.9
314.14224	1.8
342.07565	0.6
359.16287	1.4
360.14590	3.5
377.17245	13.7
377.22757	3.7
378.18893	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04340	3.0
69.07060	4.3
76.56483	3.0
79.05501	6.0
81.07069	6.7
83.08591	3.8
90.67882	3.5
93.07063	5.9
95.08633	5.8
105.07073	3.9
107.08531	3.0
109.10256	3.3
111.08054	3.3
113.00019	5.4
119.08615	4.3
145.01840	2.9
156.07759	3.1
169.02617	4.4
202.22787	3.4
213.54036	3.4
248.04726	5.7
263.06973	19.4
264.04111	10.3
276.04205	16.9
277.04825	3.9
291.06525	54.1
292.06870	4.8
299.18756	4.4
304.03519	5.3
317.19632	5.6
318.19601	4.0
319.05927	17.8
332.02954	9.1
334.04684	7.8
347.05399	27.4
349.07147	4.9
377.06534	100.0
377.16492	15.9
377.22632	15.3
377.27975	7.0
378.06848	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46510	0.9
55.05504	3.6
57.03415	1.5
57.07085	1.0
59.40214	1.0
63.37399	1.0
66.15213	1.0
67.05508	5.1
69.07054	3.1
69.26400	5.8
72.08146	2.8
74.14032	0.9
79.05493	3.7
81.07038	2.5
83.01113	1.8
83.04942	1.3
83.08614	2.1
91.05471	2.2
93.07039	3.4
95.08598	4.4
98.22856	3.3
98.23472	2.0
103.83637	0.9
105.07037	2.0
106.76913	1.1
107.08607	3.1
109.06523	1.3
109.10152	1.9
119.08571	3.3
121.10141	1.3
123.08066	1.4
133.10127	1.7
135.08104	1.4
135.11722	1.4
136.94081	1.1
137.48933	1.1
147.11668	1.4
191.14232	1.1
239.23479	1.0
277.14105	5.3
299.19830	1.6
310.45883	1.1
317.20889	38.8
318.21307	2.4
319.19217	1.5
331.30060	2.7
337.20602	1.4
355.21201	1.4
359.29556	7.7
377.22968	100.0
377.26572	3.7
377.34933	5.3
378.23285	9.5
387.23972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
57.07074	15.0
57.17951	0.3
67.05495	0.9
67.27497	0.3
69.07072	2.1
69.30831	1.3
70.06586	0.8
71.08632	11.7
72.04514	10.1
73.04824	0.3
73.06544	0.4
79.05502	0.4
80.05021	0.3
81.07054	1.1
83.08589	0.5
85.10184	6.7
89.06030	12.7
91.05497	0.8
93.07037	1.4
94.06563	2.3
95.08609	1.8
95.92979	0.3
96.08128	0.8
98.23223	1.3
99.11720	1.2
105.07027	0.4
107.07211	0.5
107.08587	0.7
108.08128	3.6
109.10156	0.7
110.09665	2.1
113.13282	0.6
114.09158	0.7
115.08692	0.8
119.08537	0.5
120.08090	1.5
121.08948	0.6
122.09666	3.4
124.11231	0.7
126.09142	1.3
127.14787	0.5
128.10710	0.6
132.08096	1.1
133.08604	6.4
134.09717	1.7
136.07652	0.5
136.11192	1.1
138.09138	12.0
139.09892	1.0
140.10666	0.8
145.10065	0.4
146.09645	2.1
146.22696	0.4
147.10361	0.4
148.11174	0.7
150.09123	1.2
150.12680	0.3
151.09705	1.1
152.10698	13.0
153.11055	0.5
154.12210	0.4
160.11250	0.8
162.12759	1.2
164.10707	9.3
164.14325	1.1
166.12291	1.1
174.12831	0.3
176.14368	1.0
177.11252	1.5
178.12234	1.9
178.15929	0.5
180.13881	0.6
182.15431	2.1
188.14250	0.5
190.15912	0.3
192.13901	0.6
193.14537	0.6
194.15424	6.7
195.12263	7.1
195.15810	0.5
196.16960	1.8
197.17224	0.4
206.15451	1.5
208.16963	5.1
246.18564	0.4
248.20045	0.4
264.19611	1.2
276.19586	0.9
277.22772	0.6
278.21109	1.2
304.26392	1.0
309.25497	1.9
314.24927	0.5
321.25296	2.1
332.25827	8.4
333.26053	0.4
334.33261	0.3
359.30713	1.1
377.31604	100.0
378.31952	9.1
381.12616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20271	0.2
55.83033	0.2
56.25678	0.2
69.91940	0.6
91.05460	0.3
107.04903	0.2
121.05642	0.3
121.06501	5.1
131.04871	0.9
135.04376	0.6
135.08032	0.4
136.04715	0.3
137.05923	0.3
138.84677	0.2
147.04382	0.2
148.07492	0.6
149.05968	0.5
149.08331	0.3
157.51428	0.2
160.07507	0.9
162.05458	0.3
162.09099	0.9
163.07591	0.3
176.07104	2.0
177.07860	2.3
187.07596	0.2
188.07899	0.2
190.08611	1.7
209.09543	0.5
214.08662	0.3
221.09563	0.3
226.12199	0.4
237.09109	0.2
238.12074	0.3
240.07771	0.3
240.10109	0.4
254.11745	2.5
255.10072	0.4
255.12421	1.3
261.16995	0.6
266.11682	0.7
267.08905	0.2
267.12378	0.3
268.09808	1.7
268.13040	1.4
269.14038	0.5
270.14685	0.3
280.13397	0.4
282.11288	2.0
283.12012	7.8
284.12296	0.6
296.12799	1.4
297.13559	5.9
298.14352	100.0
299.14706	7.7
378.10046	28.5
379.10345	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
56.96578	1.4
57.03442	1.8
61.02925	2.4
67.05502	1.9
69.03429	4.1
69.51454	1.4
69.87392	5.5
70.06601	1.4
81.03410	2.2
85.02911	17.8
95.04976	21.6
96.05258	1.4
97.02901	5.1
109.02902	2.0
120.08114	2.0
123.04436	17.5
125.02330	3.9
127.03922	1.8
140.04688	94.2
141.05028	3.9
145.04953	4.9
155.07040	50.3
167.03346	1.7
167.07060	1.8
172.07899	1.4
180.08644	6.9
181.04950	12.6
199.06029	100.0
200.06360	2.5
234.59151	1.4
379.09830	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.5
67.05498	1.3
69.03442	2.5
70.06600	5.8
70.26324	2.4
72.08163	1.7
79.05484	1.4
81.03446	1.2
84.08172	1.3
85.02906	5.6
86.09729	1.6
91.05493	8.8
93.07057	7.5
95.04987	3.7
97.02920	2.9
97.06595	1.7
98.97603	3.4
103.05479	5.2
105.04546	1.4
107.04949	1.1
107.08549	1.2
109.00095	0.9
110.24088	1.0
116.07119	4.4
119.04948	1.8
120.05758	1.5
120.08131	1.5
121.06518	11.2
121.61575	1.1
123.04462	2.2
127.03938	1.4
127.82893	1.2
135.08029	1.2
136.07631	3.2
137.02373	1.3
137.06003	12.1
149.06038	3.4
155.01547	1.2
163.07507	1.2
166.06276	6.7
167.07010	1.3
177.00935	1.1
181.08604	100.0
182.08954	3.9
183.90916	1.0
186.13560	1.1
198.75038	1.2
199.04410	1.3
199.09673	25.7
213.51965	1.2
235.14365	1.7
237.07967	1.7
247.14597	1.8
263.06049	2.4
266.23969	1.1
281.07056	4.1
288.17966	2.6
300.60492	1.0
310.90567	1.1
337.09540	1.5
355.10626	7.0
373.11664	3.0
378.08545	6.4
379.09885	17.4
379.14276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13990	0.5
54.35351	0.5
54.52218	0.6
56.96558	1.3
57.03426	1.1
57.43529	0.7
57.70976	0.6
61.02894	0.8
65.03931	0.5
69.03424	1.1
69.39882	2.6
70.06587	4.6
72.08146	1.0
73.02902	1.0
77.03918	1.1
81.03410	1.4
84.08116	0.6
85.02894	5.5
86.09721	0.8
91.05473	8.4
93.07037	9.8
95.04949	2.9
97.02880	2.3
103.05476	5.1
105.04505	0.7
107.04901	0.8
109.02856	1.0
116.07079	2.1
119.04928	1.8
120.05726	2.0
120.08083	1.8
121.06499	12.2
123.04365	0.9
127.03915	1.1
133.02861	0.7
136.06181	1.5
137.05963	2.1
138.06709	0.8
140.04655	0.8
145.04939	1.2
148.05135	1.1
149.05992	4.7
151.03940	1.1
153.05412	0.7
163.07542	1.0
166.06293	7.2
167.06706	0.8
169.05067	0.7
180.08707	1.4
181.08589	100.0
182.08914	3.3
184.07307	0.8
199.09645	23.8
200.10002	1.3
209.80814	0.6
247.14352	1.0
279.13361	0.6
281.06931	0.8
288.18045	0.9
355.10461	1.3
373.11194	0.7
378.08612	3.7
378.21246	0.8
379.09952	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.6
69.03420	0.9
70.06576	0.8
70.46264	0.7
71.16607	0.5
74.06060	0.9
81.03446	0.5
83.06113	0.5
83.78138	0.4
85.02897	4.9
91.05475	0.7
94.04194	0.6
94.50336	0.5
95.04958	1.6
95.45104	0.5
97.02874	1.6
98.97588	1.6
99.04394	0.6
117.16681	0.5
122.03618	2.5
123.04427	1.4
127.03883	1.1
131.04962	0.9
132.92136	0.5
137.05971	100.0
138.06303	2.9
140.04692	6.2
145.04965	0.5
151.07568	0.6
155.06984	2.8
163.07524	2.0
175.07539	1.2
177.89270	0.5
180.08713	0.6
181.05034	1.0
181.08589	12.0
199.05980	5.7
205.08598	0.7
209.77599	0.4
212.82790	0.5
233.14946	0.7
237.84003	0.5
286.63461	0.5
349.69641	0.6
356.05753	0.5
378.15408	0.9
378.20343	0.7
379.10037	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01876	7.7
55.05513	38.3
57.03438	14.4
59.05006	36.2
65.03961	4.5
66.87593	3.4
67.05508	63.9
69.03430	12.7
69.07072	75.2
70.01698	10.5
71.04999	51.4
76.13477	3.5
79.05507	49.3
81.03414	25.0
81.07056	46.5
83.04993	14.0
83.08630	22.9
85.02907	5.7
85.06556	6.3
91.05496	25.1
93.07053	34.8
95.04961	28.4
95.08611	24.5
97.06538	100.0
97.10174	18.0
103.05500	3.8
105.07028	25.3
107.04957	14.8
107.08593	25.1
109.06525	25.3
109.10168	22.4
111.08109	5.8
115.07565	21.7
117.07062	11.6
119.08549	17.8
121.06515	14.4
121.10165	11.7
123.04451	6.3
123.08063	11.5
125.09628	22.1
131.04974	4.3
131.08586	17.9
133.06468	6.1
133.10159	7.7
135.08069	8.7
135.11732	5.2
136.06218	11.9
137.05974	17.4
137.09625	11.4
143.08589	7.7
145.10147	9.4
147.11731	15.7
149.09613	5.6
157.10141	8.7
159.11775	5.9
161.09570	4.2
169.10207	5.1
173.11787	7.8
173.13351	4.4
175.11211	4.8
177.12799	9.7
183.11945	3.4
189.11197	8.6
189.12764	6.1
193.12297	4.4
205.12395	4.4
219.13878	4.3
223.13315	10.6
237.14815	5.3
249.14877	4.5
273.18552	12.7
291.19556	6.7
325.20151	29.5
378.14279	4.3
378.22784	7.3
379.08258	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3002
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
53.03943	0.5
55.01869	0.2
55.05507	2.2
56.05032	0.2
57.07065	0.4
65.03928	0.5
67.05499	3.9
69.07053	2.0
69.83391	0.4
69.83768	0.4
71.04986	0.3
72.37579	0.2
78.26927	0.2
79.05491	4.5
80.05020	0.5
81.07051	7.6
82.06568	0.6
82.07364	0.4
83.08614	0.9
85.06539	0.2
89.06023	0.4
91.05466	0.7
93.05772	0.7
93.07033	1.7
94.06561	4.4
95.04984	0.5
95.07410	0.2
95.08600	3.1
96.08153	1.3
97.06513	0.2
97.10189	0.3
98.22775	0.2
98.23286	0.4
105.04503	0.2
105.07014	0.7
106.06570	0.3
107.07325	1.0
107.08560	1.0
108.08111	22.1
109.08379	0.3
109.10152	0.8
110.09673	2.0
119.08557	0.3
120.08115	2.3
121.08895	1.7
121.10147	0.5
122.09661	14.1
123.10004	0.4
123.11735	0.2
123.76255	0.2
124.07583	0.3
124.11242	0.4
132.08055	0.4
133.08827	0.3
133.10063	0.3
134.09654	2.0
135.10384	0.4
136.07593	0.8
136.11208	1.1
138.09120	4.3
140.10730	0.2
145.10078	0.2
146.09633	1.1
147.10411	0.3
147.11685	0.2
148.11200	0.8
150.09106	1.0
152.10701	3.0
162.12793	0.8
164.10704	6.2
164.14334	0.2
165.11261	0.3
166.12222	0.4
166.15858	1.1
176.14366	0.7
178.12259	0.5
178.15913	0.2
190.15775	0.3
192.13870	0.3
193.14621	0.5
194.15401	4.2
208.16963	0.9
212.16411	0.4
232.20401	0.3
246.18633	0.3
246.22166	2.1
262.21606	0.2
274.21655	4.5
275.22083	0.2
280.22885	0.4
290.21167	0.4
292.22687	10.8
293.22974	0.7
294.24258	0.4
304.22852	0.4
308.22308	0.4
320.22183	0.6
321.22430	1.8
322.23727	5.3
323.24091	0.5
334.27393	0.2
336.25220	0.5
349.14099	0.3
360.29150	1.3
362.15079	0.4
363.15997	0.7
377.17459	0.5
378.18344	2.1
378.29993	100.0
379.19391	0.4
379.30325	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.1
69.92080	6.1
73.69073	1.9
98.22773	2.4
98.23302	4.0
133.10146	2.2
136.07593	3.1
149.05968	3.9
172.04094	1.9
176.06273	4.6
189.07025	9.9
204.04002	2.1
204.05624	10.6
205.06552	2.2
217.06560	6.3
218.07249	3.0
219.08095	17.9
224.16487	2.9
232.05205	30.7
233.05923	6.3
234.06844	5.8
236.04691	3.8
245.06013	6.6
246.06740	31.4
247.07539	27.4
249.09186	2.9
260.04730	8.9
261.05371	5.6
262.06274	64.6
263.06760	7.8
264.12347	2.3
274.06247	15.4
275.07019	27.3
276.07675	4.3
277.05777	2.6
277.08609	77.8
278.08969	5.7
288.04129	24.2
289.05002	3.6
290.05722	41.0
291.06174	5.0
299.74539	2.3
303.06516	35.4
304.07278	27.3
305.08081	84.4
306.05322	2.9
306.08447	5.9
309.84009	2.3
316.03690	37.9
317.04474	5.1
318.05194	3.7
319.05984	20.2
320.06808	80.6
320.10614	3.9
321.07214	8.4
331.06003	100.0
332.06393	7.3
334.04724	16.0
334.08450	10.1
335.05487	5.8
335.09131	87.2
336.09485	6.8
346.04578	7.6
349.07104	87.1
350.07336	7.5
361.07159	23.1
364.05777	3.9
378.30133	3.4
379.08188	48.8
380.08585	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0815
Annotation	Taiwanin E methyl ether
Peak:m/z	Relative Intensity
53.50595	0.4
56.91713	0.3
61.39042	0.4
67.05463	0.3
98.23219	1.6
102.97211	0.4
105.03391	0.9
138.33270	0.4
149.05974	1.6
174.04662	0.6
176.06155	2.4
187.05336	0.5
189.06992	5.8
190.07686	0.9
191.08519	1.3
204.05710	5.8
205.06497	2.0
206.07294	0.8
208.05174	3.2
217.06471	5.9
218.07187	0.8
219.08035	11.2
220.08401	0.9
232.05196	27.1
233.05881	5.0
234.06705	4.4
235.07329	0.7
236.04695	5.7
237.05412	0.5
245.05992	5.5
246.06758	16.6
247.07542	19.5
248.07903	1.3
249.05565	0.6
249.09186	0.7
256.26294	1.0
260.04715	13.3
261.05444	6.1
262.06259	53.8
263.06662	4.7
264.04117	1.6
266.05701	1.0
273.05185	1.8
274.06235	8.0
275.07022	23.0
276.07614	3.2
277.08597	69.1
278.08932	5.7
279.10138	0.7
288.04163	19.1
289.04807	3.9
290.05731	29.4
291.06363	4.4
292.03989	0.5
292.07278	1.4
302.05679	0.9
303.06522	23.1
304.07236	12.8
305.08072	63.5
306.05206	2.6
306.08438	5.1
307.05655	0.7
307.09293	0.4
316.03677	40.9
317.04196	4.7
318.05191	4.8
319.06027	18.2
319.09818	0.7
320.06784	89.0
321.07141	8.2
331.06009	100.0
332.06326	8.8
333.07257	0.6
334.04691	16.3
334.08411	8.4
335.05444	7.6
335.09094	66.3
336.05856	0.5
336.09482	6.0
346.04712	7.3
347.05154	0.7
348.06357	1.8
349.07068	66.4
350.07416	6.6
361.07071	26.6
362.07199	2.6
364.05844	4.1
378.29950	1.1
379.08112	34.1
379.30246	0.8
380.08484	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0815
Annotation	Taiwanin E methyl ether
Peak:m/z	Relative Intensity
58.45456	0.3
63.80865	0.3
69.40470	1.0
69.40856	0.7
73.18339	0.4
78.40369	0.2
79.12360	0.3
81.69402	0.3
85.53967	0.3
94.15096	0.3
105.82218	0.4
112.28361	0.3
129.07037	0.6
139.16389	0.3
149.02385	0.3
176.06236	0.5
177.06998	0.3
178.07758	1.0
179.08572	1.5
189.06998	2.6
190.07788	1.6
191.08562	2.4
192.05669	0.6
201.07011	0.4
202.07701	0.6
203.08553	0.4
204.05624	0.8
205.06384	2.1
206.07268	0.7
207.08043	3.4
213.05466	3.3
217.06494	3.3
218.07257	1.6
219.08031	7.1
220.05180	3.5
220.08549	0.6
221.06012	1.5
221.09607	0.4
222.06746	1.2
223.07642	0.5
231.08134	0.7
232.05222	1.5
233.05925	1.9
234.06761	2.7
235.07530	7.7
235.09882	0.5
236.04678	0.4
236.08067	0.7
237.05598	0.5
237.09241	0.5
241.04915	1.7
245.05994	4.7
246.06706	1.2
247.03629	0.8
247.07550	24.8
248.04707	8.1
248.07967	1.8
249.05402	2.1
249.09122	1.5
250.06245	6.8
251.06882	0.5
260.04691	1.0
261.05505	2.4
262.06256	5.9
263.07025	12.4
264.07590	0.9
265.05109	0.4
265.08566	1.1
273.05499	1.4
274.06235	0.5
275.03558	2.5
275.06992	22.2
276.04175	3.4
276.07596	2.7
277.04932	2.8
277.08597	3.8
278.05804	5.2
278.08853	0.5
279.06470	1.4
282.04996	0.5
288.04468	0.3
289.04956	2.6
289.08194	0.5
290.05698	6.4
291.06500	20.7
292.06897	2.5
293.08115	1.9
301.05026	0.7
302.05728	0.7
303.06516	19.6
304.03705	1.5
304.07227	17.9
304.10852	0.6
305.04379	0.8
305.07938	6.2
306.05243	13.4
306.08682	1.3
307.05911	2.4
307.09299	0.5
308.06674	0.4
316.03568	0.4
317.04355	0.5
318.05164	1.9
319.06018	17.7
320.06555	2.9
321.07559	7.5
322.07788	0.8
331.06021	4.3
332.06592	0.4
333.04108	0.5
333.07578	1.9
334.04678	3.2
334.08365	2.0
335.05423	0.6
335.09140	0.9
336.06244	1.4
346.04691	0.4
347.05411	2.4
348.06268	3.5
349.07059	21.6
350.07547	1.7
351.08768	0.9
361.07144	0.6
364.05826	0.4
364.99954	0.3
379.08109	100.0
379.24393	1.3
380.08429	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0816
Annotation	Taiwanin E methyl ether
Peak:m/z	Relative Intensity
55.01869	0.4
69.51117	0.9
73.12063	0.2
88.10738	0.2
129.06999	0.4
149.02359	0.5
155.14082	0.2
157.06432	0.3
165.07056	0.3
171.04417	0.6
176.06212	0.3
177.07024	0.4
178.07765	0.8
179.08543	0.7
185.05998	0.5
187.05397	0.2
189.06966	2.6
190.07761	1.0
191.08530	2.9
192.08984	0.2
193.10152	0.3
199.03915	0.2
201.07098	0.3
202.07799	0.6
203.08537	0.7
204.05721	0.6
205.06506	2.4
206.07214	1.1
207.08069	1.3
213.05467	6.5
214.06163	0.5
217.06464	2.7
218.07208	1.1
219.08040	8.5
220.05211	0.5
220.08469	0.7
221.05978	0.6
221.09720	0.6
222.06825	0.4
223.07648	0.3
231.06339	1.7
232.05176	2.0
233.05981	2.3
234.06737	1.8
235.07553	2.7
236.04636	0.3
237.05513	1.1
237.09143	0.3
241.04962	10.3
242.05295	0.4
245.05893	1.6
246.06796	1.1
247.07552	8.7
248.04675	0.9
248.08087	0.7
249.05476	0.6
249.09090	2.8
250.06343	1.4
251.07051	0.7
259.07544	0.9
260.04739	1.0
261.05423	2.3
262.06238	7.7
263.06976	3.5
264.04199	0.3
264.07739	0.8
265.08524	1.7
266.05594	0.3
268.62668	0.2
273.05411	1.2
274.06290	1.2
275.07028	13.6
276.04196	0.6
276.07593	1.8
277.05087	1.3
277.08585	13.9
278.05716	1.8
278.08945	1.2
279.06519	2.4
279.09900	0.4
281.08072	0.4
287.07159	0.5
288.04187	1.2
288.07138	0.2
289.04932	1.4
289.08569	0.7
290.05728	10.9
291.06479	4.5
292.03888	0.3
292.07162	2.4
293.08029	2.1
297.03830	0.3
301.05106	0.3
302.05759	0.3
303.06503	17.8
304.07056	2.6
305.04434	1.9
305.08014	13.2
306.05188	2.8
306.08530	1.2
307.05933	0.9
307.09659	1.7
308.06744	0.3
316.03680	2.1
317.04337	0.6
317.08032	0.6
318.05203	2.2
319.06018	5.3
320.06769	14.5
321.07315	2.4
323.09109	0.3
331.02017	0.4
331.05997	6.7
332.06458	1.0
333.07486	3.0
334.04617	3.0
334.08371	4.5
335.05377	0.7
335.09058	6.0
336.09753	0.3
346.04666	1.3
347.05362	1.0
348.05963	0.4
349.07059	7.0
350.07596	0.7
351.08578	0.5
361.07141	2.4
364.05878	0.7
379.08112	100.0
380.08478	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.7
69.03424	0.7
69.18681	3.3
79.05489	1.0
81.07063	0.7
91.05494	3.6
93.07051	1.0
95.04953	1.0
105.07029	2.3
107.08592	1.2
115.05453	2.3
119.04971	0.8
119.21277	0.5
121.06506	47.2
123.04425	4.4
123.08043	0.9
131.04878	0.8
133.06474	0.9
135.08041	6.2
143.04932	5.1
144.05716	0.9
145.23737	0.5
146.06044	0.7
149.05963	0.7
152.05672	4.9
156.68945	0.5
159.08064	2.9
161.05981	13.3
161.07309	0.8
163.06299	3.4
163.07552	1.0
177.07857	1.8
178.08632	8.6
208.08844	0.9
211.11244	1.1
219.13892	0.7
223.11168	1.0
227.05292	0.6
237.09116	0.5
239.10780	0.8
240.07837	0.6
241.08621	1.5
251.10631	1.5
257.11719	1.6
269.11728	8.6
271.04224	2.3
271.13150	0.9
293.09875	3.0
299.15121	1.6
300.15939	42.0
311.09756	0.6
316.17935	0.5
317.09900	0.9
317.17926	0.5
335.11008	28.3
336.11169	1.8
362.18335	0.9
379.09918	100.0
379.13544	5.7
380.11526	44.7
380.19946	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01846	0.7
55.05490	0.8
56.21684	0.5
57.07954	0.5
65.03934	1.4
67.05503	1.6
67.66362	0.5
68.99770	1.4
69.03419	1.4
69.07059	0.6
70.06588	1.5
71.06918	0.5
72.08149	0.8
76.70963	0.5
77.03944	0.6
77.35447	0.5
79.05482	4.2
81.03420	1.5
81.07034	1.6
83.04964	2.2
83.08630	0.8
84.08147	1.0
85.02897	1.7
86.09701	0.5
91.05465	4.6
93.03396	1.0
93.07011	1.4
94.04186	3.1
95.01342	1.4
95.04948	2.3
95.08587	1.0
97.02857	0.7
97.06503	1.0
98.06006	0.4
103.05458	6.8
105.03364	0.6
105.04478	0.5
105.07016	3.4
107.04956	9.1
107.08571	1.0
109.02812	0.6
109.06513	1.7
109.10168	1.1
111.08115	1.1
115.05416	2.6
117.06989	4.6
118.31574	0.5
119.04942	2.2
119.08612	2.8
120.08096	2.0
121.02882	4.4
121.06487	0.6
122.03644	7.7
123.04437	3.0
123.08070	1.1
125.02330	0.9
127.03946	0.5
128.06250	3.9
128.18500	0.5
129.06085	1.0
129.07001	15.4
130.04134	0.6
131.04921	11.4
131.08511	0.8
133.02921	0.7
133.06490	3.1
135.04420	2.7
136.68781	0.5
137.05968	100.0
137.09496	1.2
138.06331	3.3
139.03899	1.5
141.05391	0.5
141.06998	1.3
143.04913	1.5
145.06476	7.3
146.07208	1.4
147.04440	2.5
147.08015	1.7
149.05963	1.0
151.03915	1.4
151.07509	1.5
153.05455	2.3
155.10678	1.8
157.05292	1.1
157.06488	13.3
158.07222	1.7
159.04413	1.1
160.05197	2.1
161.05968	4.2
162.06728	1.6
163.03893	1.0
163.07538	7.1
165.05647	0.7
165.07002	2.2
165.09129	1.2
166.07768	1.5
167.03424	5.7
167.08517	3.2
169.06528	1.2
172.05121	1.0
173.05981	1.7
174.06747	8.3
175.07524	11.7
176.08240	1.1
177.09004	3.0
179.07065	0.6
179.08571	1.4
181.05183	2.6
181.06374	2.8
181.10101	2.1
183.08078	1.0
183.10168	2.7
187.07549	7.1
188.08249	1.2
189.09091	45.6
190.09541	2.8
191.07048	1.4
191.08572	1.3
193.06473	1.2
193.10097	0.7
194.07231	1.9
195.08018	6.0
196.05261	0.6
197.06152	1.0
198.06503	0.6
201.05482	1.3
201.09102	2.1
201.11023	1.3
202.09740	0.7
205.06651	0.7
205.08577	1.7
207.06387	0.7
207.08182	1.0
207.10089	1.1
208.08780	1.1
209.09634	5.4
210.06863	0.8
211.07516	2.8
212.08356	1.4
213.09149	2.5
214.09770	0.8
219.06384	1.4
219.08272	3.0
221.09586	0.9
223.07697	1.0
224.08253	1.2
225.08992	3.9
226.09898	0.9
227.10648	4.5
229.08652	1.0
232.39249	0.5
236.08243	1.0
237.09245	5.1
238.09702	0.8
239.06880	0.9
239.10696	2.5
241.12189	3.1
243.10075	0.7
245.11743	0.6
247.07576	1.0
251.10724	3.5
253.08569	2.0
253.12343	0.6
254.09277	0.7
255.10210	3.0
265.08521	3.4
266.18527	1.7
267.10117	1.8
269.11691	8.5
270.12061	0.9
271.13135	0.6
273.11267	1.0
279.10120	3.0
283.09720	1.3
285.11172	1.9
287.12619	2.6
297.11194	10.5
298.11658	0.8
299.09137	1.5
299.12619	0.9
301.10703	1.4
313.10587	0.9
315.12192	11.4
316.12805	0.9
325.10684	2.1
343.11789	5.3
361.12793	20.9
362.13077	1.4
379.09811	0.8
379.14096	1.2
380.21582	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01868	4.5
55.05507	3.4
57.03427	1.6
57.07065	1.1
59.82255	1.0
61.02932	1.0
63.10632	0.9
67.05495	5.6
69.01307	0.9
69.03432	40.4
69.07051	5.1
71.05002	3.0
71.46864	1.0
79.05488	6.2
81.03418	14.8
81.07056	9.8
83.04968	3.8
83.08624	1.5
85.02896	7.1
85.06544	1.7
87.00838	4.1
87.04453	1.3
91.05482	13.3
93.07048	18.7
95.04967	9.4
95.08615	12.4
97.02888	4.4
97.06527	1.7
99.04462	2.4
103.03954	1.6
105.07029	23.4
107.04955	3.8
107.08595	100.0
108.08909	2.2
109.02836	1.6
109.06517	5.4
109.10143	6.5
111.04455	4.8
111.08061	1.3
115.03923	2.1
115.05445	1.1
117.07017	4.5
119.06063	1.1
119.08587	25.5
120.08916	1.8
121.06509	4.0
121.10149	30.5
122.10443	1.0
123.04414	2.4
123.08074	2.7
123.11671	2.7
127.03909	5.3
128.06271	1.3
129.01927	1.2
129.06979	3.6
130.07751	1.6
131.08546	9.0
133.06468	2.4
133.10133	12.1
135.04379	1.5
135.08054	4.8
135.11694	4.5
137.06006	2.8
137.09622	4.5
141.06924	1.1
142.07797	1.9
143.08574	6.8
144.09349	2.4
145.06520	2.3
145.10158	7.9
147.08046	3.8
147.11661	12.5
149.05984	2.6
149.09648	2.5
149.13255	23.1
151.07590	2.2
155.08614	2.7
156.09323	3.2
157.10114	5.4
159.03018	1.1
159.08009	1.6
159.11702	16.7
161.09607	3.1
161.13249	15.4
163.07562	1.5
163.11160	1.8
165.12837	1.6
169.10088	4.0
171.11676	6.2
173.09676	2.2
173.13231	5.5
175.11176	2.5
175.14685	1.3
177.12738	22.9
179.14307	5.9
181.10135	2.3
183.07991	1.0
183.11719	2.0
185.09648	1.2
185.13229	1.9
187.11246	2.6
187.14923	1.7
189.12764	7.6
191.14253	1.4
193.12231	2.3
197.09576	2.0
199.11099	2.1
199.14825	1.3
201.09100	1.8
201.12738	1.9
207.13760	10.8
211.14783	2.4
215.10661	2.5
215.14241	2.3
217.12140	1.1
219.13658	1.3
229.15852	3.6
231.13681	1.2
239.14261	4.9
247.16917	1.4
257.15338	17.1
262.06265	1.8
275.16415	48.3
276.16739	3.7
277.08725	1.1
293.04608	1.5
293.07733	1.1
308.06705	2.1
320.06836	3.1
335.08990	1.9
335.18527	4.3
336.06006	1.7
361.16437	33.9
362.16666	1.9
364.05756	1.7
379.08255	7.0
379.17596	13.8
379.22073	2.0
380.08667	1.1
380.18057	1.3
382.06870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	1.6
55.05516	8.7
57.03435	1.3
57.07079	3.2
59.05001	1.4
66.38703	0.8
67.05508	12.7
69.03412	1.0
69.07067	14.0
69.25786	0.8
69.68294	2.8
70.07424	0.9
71.05002	6.4
71.08650	1.4
71.99902	0.8
73.06574	1.1
77.03941	0.7
78.59428	0.8
79.05495	9.3
81.07058	20.1
82.07354	1.1
83.04972	2.7
83.08611	3.2
83.14413	0.8
85.06537	6.1
89.06041	1.9
91.05470	7.9
93.07052	16.1
95.04971	2.3
95.08604	12.5
95.09156	1.4
97.06511	4.8
97.10151	1.0
98.23020	2.8
99.08099	1.6
105.07030	8.6
107.08599	17.9
109.06517	6.8
109.10165	6.2
111.08091	2.1
113.00019	16.6
116.08150	0.9
116.98647	1.1
117.07012	0.9
119.08581	6.1
121.06491	1.7
121.10165	10.5
122.10515	0.9
123.08073	6.5
123.11729	3.1
125.05964	0.9
125.09638	2.3
131.08611	2.4
133.06506	0.8
133.10135	3.2
135.08055	27.6
135.11679	7.6
136.08415	1.3
137.05986	2.9
137.09581	2.2
137.13257	1.6
138.06760	1.1
139.07556	3.9
145.10155	1.9
147.07988	0.9
147.11678	10.3
149.09584	4.9
149.13246	2.2
149.40758	0.8
150.06865	1.1
152.08321	2.0
153.09064	1.4
153.12790	1.2
157.10173	1.1
159.11717	2.2
161.09663	2.6
161.13248	1.4
163.11211	0.9
163.14877	0.9
165.09117	26.3
165.12773	6.9
169.02611	19.6
169.03969	1.5
177.12749	17.5
179.10791	1.2
179.14331	1.3
183.13829	5.2
187.14822	1.1
191.14302	2.5
193.12288	2.9
195.01227	0.9
195.13889	1.5
197.15385	6.2
201.14853	9.0
205.15804	0.8
208.14566	1.9
215.16492	2.6
247.07448	0.9
263.20050	1.1
275.20206	1.4
290.05643	0.9
291.19675	2.3
293.21082	1.5
305.21225	4.1
319.26312	1.3
320.06842	1.5
323.22223	2.3
329.24808	1.4
338.96823	1.3
347.25824	100.0
348.26147	9.2
379.08020	1.4
379.24161	2.1
379.28448	15.9
380.24768	1.1
380.29160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03960	1.1
55.01874	3.0
55.05513	17.4
57.03439	2.1
57.06868	1.2
57.07083	14.9
59.05009	2.3
67.05508	20.1
69.07072	25.5
69.71276	3.8
71.04992	1.7
71.08642	7.3
73.06577	1.4
78.11024	1.0
79.05496	12.7
81.07061	26.5
83.04980	8.6
83.08620	6.0
85.06548	10.5
86.09233	1.1
89.06051	4.2
91.05484	8.8
93.07049	21.0
95.04980	3.8
95.08620	28.2
97.06545	10.1
97.10184	2.4
98.22782	1.6
99.08117	3.0
105.07030	9.8
107.05013	1.6
107.08603	27.5
109.06536	14.1
109.10175	9.4
111.04455	33.2
111.08063	5.4
111.11681	1.4
119.06105	1.6
119.08592	8.3
121.06561	1.5
121.10171	10.3
123.08083	11.9
123.11707	3.6
125.05995	14.7
125.09671	3.3
127.07566	2.6
131.08554	1.5
133.10100	6.7
134.94228	1.2
135.08070	19.2
135.11687	21.0
137.05991	9.5
137.09648	2.3
137.13281	3.0
139.07501	2.0
145.10123	8.4
147.11719	5.0
149.09656	4.4
149.13283	3.9
151.07588	3.9
151.11200	1.6
153.12761	7.4
153.13857	1.1
157.10089	1.7
159.11768	2.4
161.09660	3.2
163.11227	5.6
163.14755	2.7
165.09113	1.7
165.12798	4.7
167.14346	2.2
175.11290	1.7
175.14801	1.5
177.12721	5.7
179.14331	4.8
181.12268	12.1
183.13817	1.2
193.12268	2.3
195.12270	1.1
195.13875	5.9
205.15939	1.5
207.13875	1.6
221.19066	5.0
231.15811	1.3
235.20575	2.7
249.18538	2.4
263.20038	2.7
287.23651	3.1
291.26828	2.3
301.25204	1.9
301.55420	1.2
305.24744	95.1
306.25015	7.1
319.26300	22.9
320.26700	1.5
329.24728	3.8
347.25833	100.0
348.26205	9.9
351.28946	26.6
352.29376	3.5
361.27405	16.4
379.28464	45.2
380.28918	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28736	1.2
53.03949	1.4
55.01860	1.8
55.05519	8.8
57.03428	3.1
57.07081	18.5
59.04998	2.8
61.49264	1.4
67.05508	8.5
69.07073	33.6
71.04977	1.4
71.08627	5.5
73.06573	1.7
79.05500	12.9
81.07053	13.2
83.05001	2.4
83.08603	4.2
85.06549	4.5
85.10173	2.4
87.78093	1.3
89.06033	8.8
91.05476	9.0
93.07051	25.3
95.04982	3.7
95.08612	11.4
97.06545	2.1
97.10191	2.0
98.23071	7.7
101.09648	16.8
105.07020	6.5
107.08595	29.9
109.06509	8.2
109.10187	5.4
111.08107	3.6
113.00031	29.4
119.08605	5.5
121.06462	1.9
121.10135	12.1
123.08070	7.8
125.06013	1.3
125.09636	4.3
125.13193	1.2
131.08580	3.7
133.08611	3.2
133.10132	3.2
135.08061	27.7
135.11693	4.4
137.05988	4.4
139.07584	7.4
145.10132	3.8
147.11702	2.5
149.09628	4.9
149.13242	7.5
151.11191	2.2
151.14862	1.6
152.08366	5.6
153.09160	1.7
161.13274	3.1
163.93610	1.2
165.09108	18.0
165.12802	2.1
169.02617	30.0
176.32646	1.2
177.12772	5.4
179.14316	7.1
181.15883	13.3
191.14342	6.9
201.16260	1.5
209.15410	16.1
220.54950	1.3
239.14914	1.7
261.22083	2.4
263.20105	2.7
277.08707	1.5
291.19580	4.4
314.71902	1.3
320.06598	1.6
331.06204	1.6
331.60086	1.3
335.25739	2.6
337.20874	1.4
339.19116	5.8
347.25812	100.0
348.26230	10.8
356.18109	1.5
362.30518	1.6
379.08096	2.3
379.24509	2.6
379.28433	44.0
380.28604	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03952	1.5
55.01865	4.5
55.05506	18.5
57.03429	1.7
57.07074	34.5
59.04982	1.4
67.05508	18.8
69.03439	1.6
69.06710	2.4
69.07066	29.1
69.18524	9.3
71.04965	3.0
71.08611	2.4
79.05483	17.7
81.07050	38.5
83.04973	8.9
83.08621	10.1
85.06542	14.7
89.06007	4.2
91.05470	10.0
93.07037	24.6
95.04967	3.0
95.08025	2.0
95.08598	29.0
97.06536	11.1
97.10143	3.5
98.22885	6.8
104.18649	1.4
105.07027	11.4
107.08576	24.3
107.09260	2.6
109.06525	14.4
109.10141	12.4
111.04450	11.6
111.08063	6.2
117.07037	3.4
119.08580	11.7
121.10147	10.8
123.08073	11.3
123.11690	6.7
125.05957	10.4
131.08562	4.6
133.08606	4.1
133.10152	7.9
135.08035	22.7
135.11662	9.2
135.12558	1.6
137.05974	49.2
137.09592	2.2
137.13268	1.8
139.07524	2.4
143.08586	1.9
145.10109	3.6
147.11726	7.4
149.09599	6.5
149.13242	6.0
151.07532	5.8
151.11174	3.1
152.08279	2.7
153.12727	5.1
157.10153	3.0
159.11720	4.3
161.09619	4.4
161.13165	2.2
163.11211	3.1
163.14787	2.8
165.09068	8.2
165.12735	7.3
171.11725	2.6
175.11183	3.1
177.12698	9.0
179.10670	2.6
181.12309	2.0
185.13300	1.5
189.12708	1.9
189.16412	1.8
193.12160	2.1
195.12245	3.9
203.18007	1.9
207.13779	6.1
211.61931	1.9
233.18985	2.3
241.15874	1.6
263.19995	6.5
277.17966	3.6
301.25098	2.4
305.24759	2.3
319.26352	10.7
323.22189	3.3
329.24744	5.1
347.25787	89.3
348.26147	7.0
351.28955	36.2
352.29230	4.5
361.27286	18.9
379.28387	100.0
380.28754	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82564	0.9
61.60303	0.8
71.31040	0.8
82.39699	0.9
87.23396	0.8
98.22623	2.1
116.49035	1.0
156.18272	0.8
177.06993	0.8
179.08530	1.1
189.07045	2.2
190.90936	0.8
195.07990	1.5
205.06465	6.1
206.07042	1.4
207.08116	2.3
217.06445	1.5
219.08049	1.9
220.05206	1.6
221.05962	1.6
222.06738	1.1
223.07535	2.1
232.05411	1.0
233.05936	7.5
234.06674	3.0
235.07507	7.4
236.04628	1.0
236.08237	1.2
247.07610	2.0
248.08383	1.4
249.05472	2.8
249.09135	1.0
250.06261	2.9
251.07072	3.2
252.07564	0.9
261.05453	4.9
262.06241	5.5
263.07031	16.2
264.07513	1.6
265.08627	3.6
274.06143	0.9
275.03171	0.8
275.07050	3.0
276.04608	0.8
276.07645	1.9
277.04947	2.9
277.08420	2.0
278.05701	3.1
278.09155	1.2
279.06567	6.2
279.09717	1.3
281.08051	1.4
289.04922	3.7
290.05783	4.7
291.06476	12.5
292.07202	3.0
293.08087	14.7
294.05377	1.3
294.08698	3.7
303.06531	1.6
304.03647	1.4
304.07101	1.7
305.04572	2.0
305.08087	3.5
306.05212	2.4
306.08817	3.7
307.05948	5.5
307.09668	2.3
308.06714	1.6
309.07663	1.3
309.11206	1.9
317.04401	1.1
319.06042	10.5
319.09406	1.5
320.06659	2.9
321.07532	11.2
322.04688	1.1
322.08017	4.4
323.09003	1.6
331.06073	1.6
332.06534	1.1
333.07590	1.5
334.08325	4.1
335.05426	5.3
335.09143	6.9
336.06064	1.8
336.09903	1.8
337.06918	1.2
347.05441	2.0
348.06265	1.2
349.06998	3.8
350.07816	4.9
351.08575	5.5
352.09186	2.3
353.10025	2.7
362.07855	5.5
363.08517	1.6
365.06503	1.3
379.08057	2.6
380.08881	100.0
381.09348	13.8
403.79953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
58.06598	100.0
59.06944	1.1
64.27828	0.4
71.07360	0.4
72.08134	0.8
84.08104	0.4
88.87773	0.5
91.05486	1.0
93.07042	0.7
95.04926	0.5
95.08601	0.4
97.06523	0.6
103.05524	0.4
105.06996	0.6
107.04953	19.6
108.05287	0.6
115.05424	0.8
117.07008	0.6
119.04929	1.3
119.08578	0.6
121.06516	2.7
123.04431	2.1
131.04948	0.5
137.05968	1.2
143.04936	1.7
145.06494	1.7
147.04395	2.6
147.08052	0.7
149.05988	0.5
161.05962	3.7
163.07512	0.6
179.09410	0.7
183.10188	0.7
192.10205	4.5
193.10776	0.5
198.40952	0.5
209.09460	0.5
211.11191	0.5
237.09074	0.7
255.10168	3.8
257.11761	1.4
299.15231	1.3
300.15909	34.1
301.16357	2.3
380.11597	65.3
381.11801	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70437	0.4
69.03419	1.4
69.86599	0.7
69.86923	1.1
78.04701	0.8
79.05491	1.1
82.49960	0.4
91.05487	3.1
93.07031	0.7
93.55202	0.5
95.04961	1.2
103.05512	0.6
104.20015	0.6
105.07039	3.5
107.04974	0.8
109.06516	0.8
112.57214	0.4
115.05442	4.8
119.04910	1.1
121.06502	100.0
122.06828	2.6
123.04430	11.8
129.55257	0.5
131.04942	0.6
133.06494	2.7
135.04433	0.8
135.08043	13.3
137.05962	2.3
143.04916	13.3
144.05666	1.5
145.06459	0.8
147.04376	1.2
147.07999	0.7
148.05173	0.7
149.05992	1.7
150.09140	1.0
152.05690	3.5
159.08043	7.2
160.08580	0.5
161.05974	27.2
162.06360	0.7
163.06299	7.4
163.07518	0.9
164.06943	0.5
165.07811	0.5
166.08635	0.7
177.07845	5.1
178.08623	19.4
179.08821	0.7
181.06601	0.6
182.29059	0.5
195.08069	0.7
196.08835	0.5
208.08885	1.4
211.11043	1.4
218.07233	0.5
219.07950	0.7
221.09586	0.7
223.11163	1.9
224.60504	0.5
225.09000	0.7
239.10606	1.4
240.07805	0.6
240.11411	0.7
241.08513	2.0
251.10632	3.9
254.09392	0.9
255.15834	0.6
256.10901	1.5
257.11682	2.8
258.04260	1.5
269.11707	18.6
270.12024	0.9
271.13330	0.7
299.15277	2.7
300.15921	94.0
301.16281	8.0
380.11603	100.0
381.11780	7.6
381.16107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05512	7.0
57.03434	2.9
67.05507	8.6
68.15097	2.8
69.03441	5.3
69.07067	7.2
69.11649	9.8
69.12070	9.8
70.26021	2.6
71.04990	51.3
79.05501	22.2
81.03436	3.8
81.07062	26.3
83.04982	3.4
84.04510	10.4
85.02926	9.6
91.05489	12.5
93.07046	22.5
95.04973	7.5
95.08594	18.7
97.02870	5.1
97.06528	16.0
98.22747	4.5
104.33865	2.7
105.07030	56.1
107.08584	23.1
109.06528	3.5
109.10155	5.8
110.03554	6.4
113.10755	2.9
119.08583	22.0
120.04458	17.3
121.10150	47.3
123.11740	11.4
123.24226	3.0
130.04977	5.5
135.02992	3.6
137.09633	5.6
137.13200	3.6
138.05530	8.3
145.10194	3.8
147.11682	56.4
152.05673	96.5
153.04124	6.9
165.12750	100.0
166.13164	4.6
183.10223	4.8
183.13792	32.7
183.49886	2.8
191.42957	3.8
200.06819	2.9
201.11284	5.6
238.03970	2.9
267.09885	4.0
318.18021	5.8
341.51276	2.8
362.19281	2.7
380.19931	31.3
381.15671	3.3
381.20352	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
61.02911	0.5
65.17770	0.2
67.05510	1.9
69.03415	0.8
69.07057	0.8
70.06596	0.6
71.04987	2.6
79.05479	0.9
80.04935	0.2
81.03401	0.3
81.07050	3.5
83.04960	0.3
83.08620	0.5
85.02898	1.2
91.05477	1.2
93.07034	1.7
94.04053	0.7
95.08602	1.6
97.02869	0.4
97.06503	0.7
99.04454	0.2
100.20224	0.2
105.07022	1.2
107.08547	1.3
109.02887	0.4
109.06496	0.3
109.10144	0.8
109.69300	0.2
113.07877	0.2
118.76495	0.2
119.03533	1.7
119.08572	0.9
121.10123	1.1
123.11679	0.8
131.08559	0.6
133.10098	0.6
135.08015	0.3
135.11700	0.7
136.06177	100.0
137.02350	1.9
137.04614	1.3
137.05954	1.8
137.06705	0.5
137.13235	0.7
145.10110	1.1
147.11649	1.0
149.13240	1.1
150.07704	0.4
159.11731	1.3
161.13303	0.7
165.12735	0.9
175.07527	1.2
177.05411	0.6
177.12633	0.2
183.13791	0.7
189.06967	0.5
195.13762	0.5
201.16428	0.6
205.06364	0.5
206.07051	0.4
207.08086	0.5
209.15309	0.3
218.07245	0.4
219.08090	1.0
219.17429	0.4
220.08836	0.5
221.05986	0.5
227.16470	1.0
233.05925	0.4
234.06735	0.6
235.07512	1.2
236.08295	0.7
239.10660	0.3
246.06845	0.3
247.07532	1.0
248.08302	0.9
249.05481	0.3
249.09099	1.6
251.10616	0.6
253.08580	0.3
257.11734	0.3
262.06354	0.5
263.07028	2.6
264.07855	1.3
265.08575	0.4
275.06979	1.4
276.07831	0.4
277.08307	0.4
279.06784	0.5
279.10107	5.0
281.08136	0.4
291.06528	1.7
292.07211	1.1
293.07993	0.3
295.09610	0.6
305.08112	0.7
306.08884	1.2
307.09601	6.8
319.06052	0.5
319.09537	0.6
320.06772	1.0
323.09113	2.0
330.19263	1.0
333.07709	0.4
336.09534	0.9
337.10675	6.9
344.20871	1.0
348.20264	11.4
349.20636	0.6
351.08722	0.8
362.22046	2.8
363.22229	0.3
380.22928	30.0
381.09668	21.4
381.17807	0.4
381.23090	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20884	2.5
73.43995	2.1
86.39316	2.2
95.53159	1.9
124.15707	2.5
151.25462	2.7
164.03362	2.0
168.21822	2.1
200.78247	2.2
200.87656	2.0
201.01688	3.8
215.01872	1.8
219.02551	2.4
302.49274	2.2
381.02997	5.2
381.07935	100.0
382.08301	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0969
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
50.27485	0.2
69.25516	0.4
69.25929	0.8
70.06590	1.2
70.42970	0.2
75.04436	0.2
79.05476	0.3
81.07050	0.5
93.07031	0.2
95.08620	0.2
98.22729	0.5
105.07058	0.2
107.08610	0.3
113.87568	0.2
121.10155	0.2
135.04437	0.2
153.54755	0.2
158.17314	0.2
165.05734	0.2
165.06981	1.4
176.06245	0.3
177.06973	0.4
178.07796	0.9
179.08533	0.3
181.06496	0.3
189.07021	0.8
190.07689	0.4
191.08516	0.6
192.05597	0.3
193.06451	1.1
194.07166	0.2
195.08035	0.4
204.05727	0.5
205.06433	2.6
206.07243	2.7
207.07953	1.0
208.08755	0.6
209.05936	0.3
210.06841	0.2
216.05725	0.5
217.06468	0.5
218.07214	1.0
219.04480	0.3
219.07961	1.2
220.05254	0.3
220.08830	0.7
221.05949	3.4
222.06683	1.0
223.07509	0.5
224.08240	0.2
231.04422	0.3
232.05151	0.6
233.05945	3.8
234.06725	6.4
235.03906	0.3
235.07492	3.5
236.08244	1.5
237.05415	0.4
237.08923	0.4
238.06348	0.3
244.05237	0.3
245.05978	0.7
246.06778	0.8
247.03976	0.3
247.07530	1.5
248.04677	0.6
248.08295	2.9
249.05478	5.8
249.09087	3.0
250.06110	1.2
250.09360	0.3
251.06993	1.4
251.10667	1.8
252.07837	0.4
253.04999	0.3
253.08672	0.2
259.03757	0.3
260.04697	0.3
261.05432	1.9
262.06192	3.2
263.06955	3.9
264.07794	20.0
265.05109	0.3
265.08316	2.8
266.09332	0.4
267.10199	0.5
268.07327	0.7
273.05533	0.3
274.06122	0.9
275.06955	1.7
276.04672	0.3
276.07809	8.3
277.04987	2.8
277.08557	9.6
278.05740	1.2
278.09204	1.9
279.06558	1.2
279.10147	3.9
280.07358	0.2
280.10349	0.3
281.04367	0.4
281.08441	0.2
281.11581	0.4
287.03397	0.3
288.04141	0.3
289.04919	0.8
290.05615	1.0
291.03156	0.2
291.06506	3.8
292.07257	7.5
293.04630	0.4
293.07883	2.1
294.08878	1.4
295.09659	0.6
296.06754	0.5
302.05692	0.3
303.06467	1.0
304.03964	0.3
304.07281	2.3
305.04449	2.0
305.07977	11.9
306.05124	0.6
306.08630	1.5
307.05960	0.9
307.09662	2.6
308.06586	0.2
308.10025	0.4
309.07504	0.6
309.11230	2.0
315.02841	0.5
318.05429	0.3
319.05994	2.7
320.06757	19.0
321.07333	2.7
322.08301	1.4
323.05493	0.3
323.09024	2.8
325.10620	0.2
331.06076	0.5
332.06696	0.3
333.03912	0.9
333.07523	9.5
334.08044	0.7
335.09109	16.2
336.06192	0.2
336.09543	1.5
337.06888	0.2
337.10654	4.4
338.07816	1.8
338.10928	0.4
339.08557	0.3
348.06253	4.2
349.06967	2.4
350.07501	0.3
351.04883	0.3
351.08575	7.2
352.08917	0.7
353.10358	0.4
363.08612	18.4
364.09003	1.7
366.07324	0.5
367.08087	2.9
381.09650	100.0
382.10007	9.4
382.14987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0967
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
56.77200	0.1
70.16321	0.1
70.16660	0.1
75.04455	0.3
81.07005	0.1
98.23386	0.1
115.05444	0.1
122.03569	0.1
122.07115	0.1
135.04398	0.1
144.05699	0.1
149.02312	0.5
150.04530	0.1
163.04276	0.1
163.05429	0.1
164.06168	0.1
165.05440	0.4
165.06931	0.3
173.00037	0.1
175.07544	0.2
176.06079	0.6
177.06985	0.4
177.08344	0.1
178.07762	2.0
179.08493	0.3
181.06494	0.3
182.07178	0.1
182.21049	0.1
187.05490	0.1
188.06252	0.5
189.06975	1.6
190.07729	0.7
191.08551	0.6
192.04189	0.1
192.05699	0.4
193.06435	0.3
194.07219	0.2
195.08037	0.3
196.08731	0.1
200.06187	0.1
201.06908	0.1
202.07747	0.3
203.05370	0.1
203.06863	0.4
203.08652	0.1
204.05727	0.6
205.06459	4.8
206.07245	5.9
207.07993	1.6
208.05203	0.1
208.08788	0.8
209.05968	0.3
210.06697	0.3
211.07492	0.1
216.05699	1.4
217.06461	0.9
218.07239	1.6
219.04639	0.4
219.08003	2.2
220.05226	0.8
220.08713	1.0
221.05962	1.4
221.09409	0.3
222.06741	0.6
223.07579	0.5
224.08269	0.4
225.09065	0.3
230.07286	0.1
231.04346	0.2
231.07996	0.2
232.05156	1.3
233.05948	6.8
234.06728	14.3
235.07460	5.1
236.08243	1.6
237.05382	0.3
237.08995	0.2
238.06091	0.3
239.10654	0.3
244.05147	1.0
245.05836	0.7
246.06734	1.8
247.03883	0.2
247.07535	2.9
248.04730	0.4
248.08299	3.1
249.05447	1.4
249.09084	7.3
250.06281	0.6
250.09438	0.6
251.07013	1.6
251.10643	2.0
252.07736	0.5
252.10628	0.1
253.08612	0.7
257.05917	0.1
259.03879	0.1
259.07434	0.2
260.04712	0.4
261.05460	2.4
262.06223	6.9
263.06992	6.5
264.07745	3.0
265.05072	0.3
265.08517	1.9
266.05713	0.2
266.09302	0.8
267.10165	1.2
268.10300	0.1
272.04599	0.5
273.05423	0.3
274.06192	1.9
275.03580	0.2
275.06934	1.6
276.04614	0.2
276.07785	2.8
277.05377	1.1
277.08557	24.7
278.05713	0.5
278.09106	3.9
279.06555	1.3
279.10120	5.5
280.07181	0.7
280.10489	0.4
281.07971	0.2
281.11508	0.2
288.04239	0.2
289.04944	1.5
289.08090	0.1
290.05685	2.4
291.06485	6.9
291.09665	0.2
292.07199	2.3
293.04419	0.2
293.07904	1.2
294.05487	0.1
294.08771	1.6
294.12076	0.1
295.06247	0.1
295.09555	1.5
296.09805	0.1
297.11023	0.1
302.05652	0.8
303.06485	0.6
304.03949	0.1
304.07233	1.5
305.08038	27.7
306.05127	0.3
306.08484	2.9
307.06000	0.6
307.09552	5.0
308.06668	0.4
308.10031	0.3
309.07712	0.2
309.11148	4.1
310.08401	0.1
310.11615	0.3
311.73282	0.1
317.04398	0.3
318.05173	0.5
319.05978	6.2
319.09210	0.2
320.06613	2.0
321.07492	0.9
322.08310	0.5
323.09109	3.5
324.09491	0.3
325.06927	0.1
325.10645	0.7
331.05914	0.3
332.06787	0.4
333.07532	25.1
334.07907	2.3
335.05649	0.3
335.09091	6.2
336.06122	0.3
336.09552	0.5
337.10663	10.0
338.11041	0.8
347.05368	0.1
348.06165	0.3
349.06998	0.7
350.07617	0.2
351.08591	14.9
352.08945	1.1
353.10117	0.4
363.08588	19.1
364.04755	0.1
364.08923	1.6
366.07242	0.1
374.10318	0.3
381.09628	100.0
382.09982	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0969
Annotation	Phyllanthusmin A
Peak:m/z	Relative Intensity
55.01836	0.7
60.94399	0.2
70.53594	0.3
79.01812	1.0
98.22771	0.2
107.01290	1.3
109.02830	0.7
109.29546	0.2
137.02328	11.2
165.06953	0.5
176.06186	1.0
177.06871	0.3
178.07747	1.0
179.08466	0.6
181.06410	0.4
189.06987	1.2
190.07684	0.8
191.08484	1.0
192.05646	0.4
193.06569	0.5
195.07999	0.9
196.08574	0.3
204.05722	1.9
204.24667	0.2
205.06464	4.2
206.07204	2.6
207.08044	3.1
208.08772	2.0
209.05879	0.4
217.06491	0.8
218.07227	2.0
219.08012	3.6
220.08797	3.4
221.05945	2.5
221.09486	0.6
222.06555	0.4
223.07500	0.5
224.08128	0.6
225.09016	0.6
232.05214	0.7
233.05943	2.5
234.06703	3.5
235.07509	7.6
236.08301	4.5
237.05470	0.4
237.08859	0.5
238.09891	0.5
239.10611	0.8
245.05975	0.4
246.06752	1.9
247.07529	7.0
248.04655	0.2
248.05344	0.2
248.08272	6.0
249.05435	2.9
249.09068	6.5
250.06200	0.3
250.09576	0.9
251.07010	1.0
251.10672	3.9
252.07712	0.5
253.08607	0.8
257.07928	0.4
260.04544	0.2
261.05515	0.8
262.06219	2.4
263.07013	16.3
264.07773	12.2
265.05426	0.3
265.08524	2.9
266.05722	0.3
267.10129	0.6
272.04709	0.3
273.05402	0.3
274.06247	0.5
275.06995	9.0
276.04477	0.5
276.07742	4.0
276.27274	0.2
277.05084	0.8
277.08557	2.1
278.05905	0.4
278.09109	0.5
279.06680	2.4
279.10117	27.6
280.07373	0.6
280.10501	1.8
281.08081	1.3
290.05685	0.5
291.06503	7.8
291.09802	0.5
292.07156	4.1
293.04761	0.4
293.07968	1.8
294.08585	0.3
295.09653	2.4
303.06650	0.3
304.03934	0.2
304.07327	0.7
305.08044	4.2
306.05530	0.3
306.08810	8.0
307.09598	36.7
308.06708	0.5
308.09991	2.7
309.11111	0.3
318.05060	0.5
319.05896	2.7
319.09616	2.8
320.06747	4.2
320.10013	0.2
321.07611	1.1
322.08313	0.7
323.09097	9.6
324.09497	0.8
333.07504	0.8
336.06271	0.3
336.09827	0.4
337.10666	31.8
338.11142	2.0
347.05444	0.4
349.07019	0.7
350.07687	0.4
351.08643	3.8
363.08575	1.1
381.09650	100.0
382.09985	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0968
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
51.13045	1.1
61.84261	1.1
63.68113	1.2
70.00351	3.4
70.46154	1.1
75.04475	2.4
78.65083	1.2
93.98094	1.1
124.25216	1.4
151.77615	1.4
189.07062	2.6
192.05695	1.3
199.07475	1.2
202.07777	1.6
205.06535	2.3
206.07176	1.6
207.07959	1.4
213.25406	1.3
213.31668	1.3
217.06564	2.0
218.07280	3.8
219.07974	8.9
220.08713	1.8
221.05975	6.0
229.06625	1.2
231.08090	3.4
232.08826	2.9
233.05995	4.3
233.09654	1.5
234.06673	13.1
235.07494	4.0
236.08205	2.6
244.08899	2.8
245.06087	2.0
245.09627	2.7
246.06720	8.6
247.07535	13.4
248.08296	10.6
249.05447	10.9
249.09131	4.6
251.03378	2.1
259.07629	3.4
261.05588	1.9
261.06079	2.1
261.09088	18.1
262.06247	17.7
262.09802	4.4
263.06995	8.5
263.10635	4.8
264.07755	17.0
265.08371	1.9
273.05490	1.9
273.08746	1.3
274.06262	5.8
275.03421	10.9
275.07025	14.0
275.10632	9.8
276.07880	8.6
277.04996	7.1
277.08591	12.3
278.05756	1.7
278.09064	2.6
279.06644	4.7
279.10114	33.0
280.10480	1.3
288.07822	2.9
288.81210	1.2
289.08539	8.7
290.05719	22.6
290.09311	6.8
291.06491	9.0
291.10117	8.2
292.07315	13.7
292.10349	2.6
293.04370	3.7
293.07919	2.6
293.11737	1.4
295.51700	1.2
303.02835	10.2
303.06491	4.7
304.03790	1.4
304.07315	5.7
304.10837	2.8
305.04401	2.8
305.08069	62.7
305.11719	54.0
306.05334	2.3
306.08688	15.1
306.12396	11.5
307.06000	4.2
307.09570	36.1
308.06686	1.3
308.09967	4.1
309.11139	1.6
317.65747	1.5
318.05151	23.5
319.05865	4.5
319.09659	16.6
320.06967	7.2
320.10214	2.3
321.03915	8.2
321.07553	16.4
321.11224	2.8
322.04752	2.0
322.08334	49.8
322.11618	1.7
323.08850	4.1
333.07538	66.2
334.08212	8.6
335.09067	12.4
336.06216	6.5
336.09900	9.7
336.13632	4.1
337.07043	2.9
337.10660	37.4
337.14352	8.0
338.11063	2.8
348.06204	8.4
349.10687	100.0
350.07397	2.7
350.11362	25.4
351.08560	46.9
352.08884	4.2
353.10132	1.8
363.08582	21.3
363.12375	8.1
366.07187	3.0
381.09564	24.1
381.13455	15.5
382.09824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0969
Annotation	Phyllanthusmin A
Peak:m/z	Relative Intensity
50.01562	0.2
54.09357	0.2
55.01876	0.9
68.99750	0.3
69.67004	0.4
69.67391	0.4
70.90440	0.2
73.95964	0.2
79.01807	0.7
98.37492	0.2
107.01327	1.7
109.02831	0.8
109.04467	0.2
110.51766	0.2
132.76450	0.2
137.02333	12.2
138.02612	0.2
165.06929	0.3
168.13870	0.2
176.06181	1.0
177.06868	0.2
178.07770	1.0
179.04918	0.3
179.08408	0.6
181.06445	0.7
188.08235	0.2
189.06960	1.8
190.07678	0.8
191.08519	1.2
192.05672	0.2
193.06500	0.9
194.07068	0.4
195.08064	0.9
196.08720	0.3
202.07637	0.2
204.05705	1.6
205.06474	4.0
206.07227	1.9
207.08041	3.3
208.08789	1.6
209.05962	0.3
209.09412	0.3
217.06406	0.7
218.07263	1.6
219.08028	3.2
220.05190	0.2
220.08804	2.8
221.05981	2.8
221.09325	0.9
222.06618	0.5
223.07509	0.5
224.08269	0.4
225.09079	0.8
230.07144	0.2
232.05154	0.8
233.05928	2.5
233.09528	0.2
234.06737	3.3
235.07503	7.2
236.08270	5.0
237.05521	0.6
237.08907	0.6
238.09825	0.5
239.10583	0.8
245.05843	0.4
246.06725	2.2
247.07536	7.8
248.08278	6.2
248.10892	0.4
249.05470	2.9
249.09050	8.0
250.06088	0.6
250.09445	0.9
251.06982	1.1
251.10655	3.5
252.07777	0.5
252.10760	0.3
253.08658	0.9
261.05478	0.7
261.09097	0.4
262.06235	1.8
263.07031	17.1
264.07779	11.6
265.08475	3.1
266.05881	0.2
266.09012	0.3
267.10089	0.7
269.08084	0.3
274.06158	0.7
275.07019	7.6
276.07693	3.7
277.04980	0.6
277.08472	1.9
278.06027	0.3
278.09338	0.7
279.06644	2.9
279.10114	28.0
280.07077	0.6
280.10486	2.0
281.08179	1.0
289.05121	0.4
289.08389	0.2
290.05695	0.7
291.06494	8.0
291.09836	0.4
292.07248	3.5
293.04645	0.4
293.07947	2.1
294.08606	0.4
295.09656	2.2
303.06137	0.3
304.07169	0.9
305.04675	0.3
305.08020	4.4
306.05429	0.4
306.08829	8.4
307.09607	35.1
308.06738	0.4
308.09995	3.5
309.11212	0.5
318.05115	0.4
319.05927	2.8
319.09634	2.7
320.06766	4.3
320.10089	0.4
321.04031	0.3
321.07465	1.3
322.08197	0.6
323.09131	10.3
324.09518	0.8
333.07574	0.8
335.09265	0.2
336.06235	0.4
337.10672	32.2
338.11050	3.2
347.05188	0.3
349.07074	0.6
350.08066	0.2
351.08633	3.7
352.09174	0.4
363.08606	1.1
381.09650	100.0
382.10013	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05290	0.7
63.71714	0.8
67.32346	0.8
70.96649	0.9
82.15931	0.9
120.77553	0.8
129.07021	1.4
135.04401	11.3
141.03415	1.0
149.02367	3.4
165.05544	1.3
173.06013	2.8
177.06978	2.5
185.06061	2.2
187.05501	0.9
189.06993	12.2
190.07654	1.3
191.08528	1.3
199.03920	3.3
203.08597	1.5
205.06488	14.8
206.06989	1.5
208.53381	0.8
209.05974	7.9
217.06480	9.7
218.07114	2.2
219.08025	3.0
227.03389	13.3
231.06386	1.6
233.05966	12.5
235.07510	10.0
236.07936	0.8
237.05446	11.9
243.04268	1.0
245.05992	8.9
246.06735	13.0
247.07483	10.2
249.05424	1.6
259.05954	6.4
261.05475	16.5
261.08356	1.4
262.06110	3.6
263.07007	14.7
264.07578	1.9
267.06534	9.6
273.05493	6.4
274.06143	3.8
275.07025	14.5
276.07242	0.9
277.08505	1.4
289.04892	5.9
289.08411	2.0
290.05643	6.0
291.06512	10.2
292.06998	1.6
293.08096	11.9
294.08609	1.7
301.04959	5.9
302.60809	0.9
303.06494	100.0
304.06967	11.8
305.08044	12.3
306.08395	0.9
318.05194	5.9
319.06003	7.3
320.06406	0.8
321.03922	1.6
321.07520	18.5
322.08154	2.0
331.06027	6.0
333.07556	8.3
334.08112	1.2
335.12863	0.9
348.06232	4.4
349.06989	5.8
363.08588	21.1
364.09006	1.7
381.09805	2.5
381.22580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0969
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
51.73602	0.3
69.32288	1.6
84.16938	0.4
93.99924	0.3
129.49295	0.4
148.80540	0.3
149.02347	0.5
152.04587	0.3
161.91711	0.3
178.07739	0.9
179.08336	0.4
188.06238	0.4
189.06953	0.9
190.07774	0.5
191.08546	0.6
205.06496	3.5
206.07242	4.3
207.08070	1.2
208.08833	0.5
209.05928	0.4
215.06993	0.7
216.05743	0.7
217.06448	0.6
218.07281	1.5
219.08026	2.5
220.08730	0.6
221.05925	1.5
221.09613	0.4
231.08109	0.3
232.05197	1.0
233.05968	5.0
233.08154	0.5
234.06738	11.2
235.07497	4.7
236.08179	1.6
243.06602	0.7
244.05205	0.7
245.05869	0.9
246.06761	1.4
247.07536	2.4
248.04660	0.5
248.08315	2.9
249.05501	1.5
249.09087	5.6
250.06435	0.5
250.09663	0.5
251.07080	2.0
251.10657	1.7
261.05362	1.8
262.06226	6.2
263.07010	5.7
264.07825	2.7
265.04745	0.4
265.08563	1.6
266.09357	0.6
267.10086	0.6
272.04538	0.4
273.05383	0.4
274.06189	1.3
275.06937	1.9
276.04684	0.6
276.07825	2.6
277.05203	1.1
277.08575	17.4
278.06027	0.6
278.09140	2.8
279.06555	1.1
279.10162	4.5
280.07199	0.7
280.10138	0.4
281.07990	0.4
289.04922	1.4
290.05728	2.5
291.06519	5.8
292.07263	2.9
293.04742	0.4
293.08032	1.2
294.08749	1.6
295.09546	1.2
302.05737	0.6
303.06464	0.4
304.07297	0.8
305.08051	19.7
306.05313	0.7
306.08582	2.3
307.06274	0.6
307.09604	3.9
308.06827	0.6
309.11224	2.5
318.05072	0.5
319.06009	5.1
320.06586	1.5
321.07547	1.1
322.08264	3.0
323.09088	2.8
325.10815	0.4
331.05908	0.4
332.06860	0.5
333.07544	17.5
334.07895	1.2
335.09097	4.2
336.06046	0.5
336.09833	0.9
337.06860	0.6
337.10678	7.5
338.10983	0.4
348.06268	0.6
351.08585	8.8
352.08994	0.7
353.10300	0.4
363.08588	12.9
363.21146	0.6
364.08951	1.0
381.09659	100.0
381.22272	1.7
382.10016	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.133
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
51.84780	0.4
52.40318	0.4
66.82920	0.4
67.05505	0.4
69.70288	1.4
74.23347	0.4
75.04507	0.4
79.05483	0.7
81.07103	0.7
88.14010	0.4
89.05396	0.4
89.74077	0.4
93.07052	0.7
112.99995	0.8
133.31001	0.4
137.02286	0.4
146.69479	0.4
169.02527	0.7
171.80573	0.4
202.07790	0.5
203.08664	0.8
205.06532	0.9
207.08070	0.4
215.08482	0.7
218.07318	1.2
219.08037	3.4
220.08759	0.9
221.09593	0.7
230.07306	0.7
231.08029	3.9
232.08777	1.9
233.05995	0.9
233.09665	1.5
234.06825	1.4
235.07585	1.5
236.08435	0.6
245.09721	2.1
246.06851	1.9
246.10342	0.4
247.07521	5.9
248.08240	3.3
249.05528	0.6
249.09172	2.4
251.06987	0.6
251.10655	1.0
259.07574	1.4
260.08408	1.8
261.06134	0.7
261.09042	7.0
262.06296	1.1
262.09799	3.0
263.07123	3.1
263.10498	2.3
264.07819	4.3
265.08487	1.1
267.10541	0.4
269.17395	0.7
273.09076	1.3
274.06519	0.5
275.07056	3.1
275.10730	4.7
276.07825	4.5
276.10880	0.6
277.08566	6.0
278.09354	1.5
279.07031	0.6
279.10172	4.9
287.07117	0.6
288.07767	1.3
289.08588	5.4
290.06055	0.7
290.09119	2.7
291.06631	3.7
291.10220	11.3
291.13223	0.7
292.07324	2.7
292.10880	1.8
293.08188	1.2
293.11746	1.4
294.09134	0.6
294.12613	1.2
294.47839	0.4
295.10010	0.8
303.06720	3.2
304.07443	1.0
304.11087	1.5
305.04630	0.5
305.08145	10.2
305.11801	12.3
305.15186	0.7
306.08768	3.2
306.12524	7.9
307.09631	15.1
308.09918	0.8
310.11572	0.4
316.07404	0.6
317.08115	1.5
318.08902	2.5
319.06052	1.9
319.09714	5.9
320.06818	3.4
320.10468	1.9
321.07507	1.2
321.11304	5.5
322.08276	1.0
322.11996	2.2
323.09186	1.5
333.07520	4.3
334.08295	2.7
335.09122	5.4
335.12857	0.7
336.09705	0.9
337.10690	3.2
337.14307	28.6
338.14722	2.6
348.06311	1.0
348.09756	2.0
349.06927	0.9
349.10709	7.2
350.11343	4.2
351.08572	1.2
351.12283	1.4
363.08493	1.4
363.12375	5.0
363.21436	0.5
366.11014	5.9
381.09637	8.0
381.13434	100.0
381.22729	3.3
382.09830	0.9
382.13855	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
55.12230	2.3
56.51897	1.6
69.20117	9.9
127.10767	2.0
139.93636	1.6
166.83249	2.1
183.16216	1.9
217.06430	2.5
218.07353	2.7
219.08080	8.8
219.93784	2.1
220.08736	2.4
221.05981	4.0
231.07976	4.8
232.08772	5.0
233.06073	2.4
233.09581	2.0
234.06749	6.9
235.07545	6.2
245.05930	2.1
245.09651	4.0
246.06802	5.0
247.07477	10.2
248.08327	8.3
249.05478	5.6
249.08971	4.0
250.06168	2.0
251.10501	2.5
259.07523	3.1
260.08264	3.9
261.06165	2.4
261.09109	24.8
262.06268	11.7
262.09921	6.4
263.06970	6.4
263.10645	4.8
264.07776	6.6
265.08563	2.7
274.06256	3.3
275.03751	2.9
275.07013	21.9
275.10623	11.4
276.07703	9.3
277.05240	2.7
277.08557	11.0
278.05838	2.3
278.09247	5.7
279.07004	3.2
279.10016	17.1
288.07776	7.5
288.70959	1.9
289.08597	12.8
290.05701	6.6
290.09262	8.0
291.06488	7.9
291.10123	12.1
292.07227	8.3
293.07928	2.9
294.08673	2.7
303.03073	3.8
303.06522	5.9
304.07278	4.1
304.10800	3.3
305.08026	42.9
305.11682	58.5
306.08716	12.8
306.12393	15.6
307.09647	20.7
308.10013	2.6
309.11176	7.5
318.05145	8.1
318.08685	2.0
319.06192	3.3
319.09601	10.6
320.06750	4.0
321.04205	3.4
321.07611	6.1
321.11139	3.1
322.08261	15.9
323.08871	3.4
333.07553	29.6
334.08130	8.3
335.09058	19.2
336.10001	3.6
336.13431	3.1
337.06876	3.3
337.10547	14.9
337.14322	9.0
348.05951	2.9
349.10690	100.0
350.07407	2.2
350.11346	26.8
351.08490	18.6
353.10162	8.6
363.08438	12.2
363.12311	7.9
364.98447	2.6
381.09567	40.9
381.13416	16.7
382.09918	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01866	6.1
55.05510	10.5
57.03433	13.1
61.02921	12.4
67.05512	21.4
69.03426	39.6
69.07067	10.6
70.73877	5.4
71.05004	5.7
73.02909	5.6
79.05488	27.2
81.03408	20.8
81.07055	98.9
82.07411	3.5
83.04967	4.2
83.08630	7.1
85.02406	4.8
85.02906	83.2
87.04491	7.1
91.05479	40.1
93.07039	69.1
95.04963	9.8
95.08611	68.4
97.02898	39.8
97.06595	3.6
99.04459	5.0
101.65678	3.0
103.03913	3.7
105.07024	88.4
107.08587	100.0
109.02898	11.9
109.06491	7.4
109.10161	32.5
115.05494	4.2
117.07006	16.6
119.08580	60.8
120.75591	3.3
121.10142	68.5
123.08004	4.3
123.11697	5.7
125.09617	3.3
127.03104	3.0
127.03922	16.6
129.07005	6.4
130.07787	10.0
131.08582	42.0
133.10110	41.1
135.11702	6.6
137.05930	3.5
137.09579	3.3
143.08586	11.6
144.09355	6.8
145.04955	13.1
145.10123	89.6
147.11697	18.1
149.09616	7.8
149.13246	4.1
157.10094	14.7
159.11693	86.7
159.12952	6.2
160.12155	4.9
161.13258	45.4
163.11255	3.3
163.14804	10.2
171.11737	7.9
173.13271	33.1
187.14847	3.6
199.14842	4.6
201.16385	85.6
202.16724	6.0
203.17970	6.3
213.16382	4.0
219.17439	35.6
225.16412	4.7
234.06825	4.4
243.24548	3.4
289.07333	6.0
290.05289	2.8
305.08200	4.0
307.08551	3.8
327.19409	3.9
331.47516	2.9
333.07755	3.9
351.08530	3.6
363.08780	3.1
363.21725	4.1
381.09769	32.5
381.22656	9.9
382.10446	3.2
394.99066	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00938	3.0
53.03937	5.6
55.01884	4.3
55.05503	14.2
55.83963	3.3
57.03432	10.1
59.98269	3.9
61.02923	7.1
67.05489	20.0
69.03427	36.2
69.07059	5.8
70.06572	5.1
70.61554	6.9
71.04993	7.7
73.02902	5.7
79.05502	20.3
81.03413	18.5
81.07055	58.2
81.70456	3.1
83.04977	10.3
83.08630	5.2
84.52558	3.8
85.02904	51.9
87.04466	3.5
91.05471	24.6
93.07040	54.7
95.04957	15.3
95.08602	37.7
97.02870	22.7
97.06523	8.6
99.04420	4.7
105.01855	3.8
105.07024	64.4
107.08586	46.3
109.02888	8.1
109.06500	9.9
109.10153	30.6
111.04461	5.3
111.08099	4.7
117.06965	9.5
119.08586	59.2
121.06504	7.3
121.10132	39.3
123.08064	8.6
123.11689	7.7
125.09628	5.6
127.03899	18.1
131.08592	16.5
133.04938	3.5
133.10130	39.5
135.11700	7.5
136.07605	4.6
137.05946	6.8
139.67560	3.0
143.08542	8.1
145.04919	5.5
145.10121	50.6
146.10507	4.0
147.08046	3.4
147.11639	17.3
149.09685	7.4
149.13255	8.0
149.82117	3.5
152.05675	36.7
153.04070	10.2
153.05286	3.5
155.08499	3.4
157.10139	11.2
159.11714	44.0
161.09604	4.3
161.13251	100.0
163.11160	11.0
163.14812	10.9
167.10571	4.1
173.09543	5.1
173.13306	13.1
183.11644	4.3
185.89771	3.4
189.09117	5.4
189.16426	6.8
191.17932	9.8
199.14784	7.0
201.09082	4.6
201.16359	54.2
203.17958	5.3
217.15865	8.9
219.17397	35.0
223.22360	3.9
227.12755	5.7
243.17461	3.5
302.17355	4.7
320.18597	8.2
345.20526	7.4
363.21655	6.3
364.20004	6.7
381.22925	16.4
382.21454	12.0
382.25882	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2386
Annotation	CHEBI:78135
Peak:m/z	Relative Intensity
55.01879	0.7
55.05516	2.3
58.31554	0.6
60.04532	1.3
67.05510	5.3
68.05025	1.3
69.03439	2.7
69.07078	1.5
70.06596	86.7
70.19680	1.1
70.20026	1.0
71.05004	2.0
71.06943	1.2
72.04522	2.7
72.08160	10.8
75.67223	0.5
79.05496	5.1
80.05022	1.8
81.03443	1.4
81.07064	6.6
82.06588	1.9
83.04977	0.8
83.08610	1.3
84.08153	1.0
85.02922	3.8
85.06535	0.7
91.05492	4.7
92.67914	0.6
93.07043	5.4
94.06583	3.4
95.04996	2.1
95.08626	5.6
96.08143	1.8
97.02913	1.4
97.06561	1.0
97.07662	1.6
98.06053	1.5
98.97676	0.7
99.04453	1.2
105.07039	5.9
106.06589	0.9
107.08589	3.3
108.08127	2.0
109.06520	0.9
109.10137	1.3
112.07607	25.8
114.05539	7.8
114.09164	7.7
116.07083	1.2
117.07051	1.7
119.08588	3.2
120.08125	3.7
121.06552	1.0
121.10163	2.8
127.03933	1.2
129.07036	1.1
129.10242	1.9
129.51051	0.6
131.08598	2.6
133.10168	2.8
134.09685	1.8
135.11758	1.5
136.11220	3.0
137.04605	4.1
143.08568	0.8
145.10130	3.8
147.11748	1.9
148.11288	1.0
149.09683	1.1
149.13252	0.8
152.05670	4.9
155.08733	0.6
157.10144	0.7
159.11681	3.2
161.13254	2.0
161.39403	0.6
165.70039	0.7
171.11746	0.9
173.13274	1.0
180.10191	0.8
191.28960	0.6
201.16446	2.5
204.41888	0.6
206.15352	2.3
219.17445	1.8
223.15672	0.9
224.16447	3.2
226.17914	0.8
276.19540	3.0
278.21176	3.2
302.17444	0.9
303.20773	0.7
304.19095	1.4
320.18689	1.9
321.21689	1.5
322.19971	3.2
337.25073	3.5
363.22534	2.2
381.09732	1.6
381.23843	100.0
382.19141	1.0
382.24179	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2638
Annotation	19-Acetoxy-12,20-dihydroxygeranylnerol
Peak:m/z	Relative Intensity
53.03952	0.8
55.01870	0.7
55.05516	10.8
57.07082	6.7
58.07404	0.6
59.04982	1.0
59.80217	0.5
61.84119	0.5
62.86798	0.5
63.38032	0.6
65.03903	0.7
67.01854	2.0
67.05506	11.1
68.96765	0.7
69.03414	1.9
69.07070	12.5
69.98552	0.8
69.98908	1.3
71.05006	1.3
71.08638	4.4
79.05489	4.8
81.07058	12.3
82.91912	0.7
83.04995	0.9
83.08627	6.5
85.06567	1.7
85.10176	1.6
86.10480	0.8
87.04487	0.7
89.06033	3.4
90.06360	0.7
91.05454	3.2
93.07054	5.9
95.04961	1.7
95.08611	10.4
96.08857	0.6
97.06537	2.3
97.10178	3.0
99.04471	1.7
105.07032	4.6
107.08601	5.5
109.06522	2.6
109.10157	6.6
111.04444	2.3
111.08067	1.5
113.06017	1.9
117.06994	0.8
119.08574	3.9
121.02868	0.7
121.06507	1.5
121.10143	3.2
121.22019	0.6
122.09635	1.2
123.04330	0.8
123.08086	2.3
123.11705	1.3
125.01533	1.2
125.02370	13.2
125.05994	5.7
125.09632	0.8
127.03894	1.1
129.05554	0.7
129.07051	0.6
131.08546	2.9
133.08624	0.8
133.10150	2.4
135.08063	2.1
135.11684	2.0
137.09651	0.8
137.13258	0.7
139.07576	0.9
140.04698	1.9
141.05475	8.6
145.10126	2.2
147.08015	0.6
147.11694	2.3
149.09654	1.7
149.13234	1.1
151.11111	0.8
153.05467	16.9
159.11737	1.4
163.07631	0.8
163.11159	1.7
163.14845	1.1
167.07050	1.1
173.13322	1.4
177.09116	1.1
177.12772	1.2
179.06929	0.7
179.14354	1.2
181.08589	3.0
191.14322	0.9
195.10194	5.2
195.12204	2.0
196.12628	1.9
199.14896	0.6
209.11662	5.8
223.13274	7.6
230.15045	0.6
237.14876	9.1
249.14810	1.6
251.16437	8.3
263.16501	1.8
265.18002	8.7
279.10248	0.9
279.19589	6.8
293.21118	2.0
303.26755	1.7
331.26294	9.7
332.26862	0.8
335.21725	0.8
335.25775	15.1
335.29578	1.1
336.26181	1.3
345.24304	8.2
346.24057	0.6
349.27533	1.2
357.66721	0.6
363.25284	100.0
364.25613	8.1
364.31314	3.6
367.30527	0.6
381.09500	3.1
381.24219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79332	0.9
55.05511	7.5
55.22290	0.9
55.89317	0.9
57.07072	6.5
67.05499	9.6
69.03431	1.3
69.07064	11.4
69.99964	2.3
71.08633	8.2
72.08925	1.1
79.05481	5.6
81.07047	17.1
83.04991	2.8
83.08610	7.0
85.06508	2.0
85.10184	1.8
86.09676	1.4
89.06017	3.9
91.05486	3.5
93.07043	9.4
95.04936	2.0
95.08603	19.6
97.06549	1.7
97.10172	2.1
99.08092	5.4
105.07032	5.3
107.08593	12.8
109.06527	4.8
109.10160	7.1
111.08092	2.3
119.08581	13.5
120.08908	1.0
121.06458	1.9
121.10136	9.5
123.08063	20.0
123.11713	3.6
131.08553	3.8
133.10146	6.5
133.11035	1.2
135.08070	7.3
135.11662	6.4
136.08852	1.4
137.09613	3.4
137.13283	2.8
145.10109	4.2
147.11684	3.6
149.09634	3.7
149.13252	2.7
157.10112	1.2
159.11665	2.7
161.13258	4.4
163.11162	1.9
163.14813	3.0
165.12749	3.7
171.11839	1.3
173.13284	2.1
175.14857	2.2
177.12727	1.3
179.14288	12.3
181.12263	1.0
191.14265	5.6
195.12292	2.4
196.12527	2.3
215.17896	1.2
233.18962	1.1
251.20035	2.8
275.27313	1.2
293.21014	1.3
303.26819	20.8
304.27066	2.6
307.09521	1.4
313.25415	1.4
321.07376	1.2
321.27954	2.0
331.26282	100.0
332.26697	8.6
349.27325	11.6
363.28882	39.1
364.28860	2.0
381.09515	2.6
381.24548	1.6
381.29788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05511	11.3
57.07076	10.4
67.05515	9.4
69.07066	15.0
69.52412	5.7
71.08638	5.1
79.05486	5.3
81.07062	12.9
83.08606	8.8
85.06535	4.1
89.06029	5.0
91.05473	6.1
93.07034	10.8
95.04943	2.1
95.08594	13.8
97.06513	2.5
97.10160	2.0
99.08089	2.5
105.07030	7.5
107.08581	13.2
109.06478	4.6
109.10154	4.7
111.08096	2.4
119.08556	12.7
121.06533	2.8
121.10130	9.7
123.08052	13.9
123.11723	2.7
131.08485	1.9
133.10098	12.3
135.08099	10.1
135.11682	8.6
137.09657	2.8
145.10141	2.8
147.11705	5.0
149.09631	3.5
149.13246	2.2
159.11703	2.3
161.13293	2.1
163.14796	3.0
173.13306	1.8
175.14792	4.6
179.14290	18.2
189.16400	2.1
191.14369	9.1
195.12253	1.9
196.12607	4.3
260.80905	2.1
266.96777	1.6
303.26791	12.2
331.26291	100.0
332.26544	8.2
349.27277	7.4
363.28851	19.7
364.29562	2.0
381.09467	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05508	22.8
57.07076	11.1
67.05511	18.7
67.65579	2.8
69.07069	27.3
71.08620	16.8
75.80657	2.4
79.05486	12.2
81.07052	35.5
83.05030	3.4
83.08634	13.3
85.06548	2.5
87.09357	2.6
89.06040	8.5
91.05489	12.4
93.07055	19.4
95.04978	5.0
95.08609	33.5
97.06551	4.9
97.10180	5.4
99.08086	17.4
103.15148	3.2
105.07041	13.1
107.08596	20.1
109.06524	9.2
109.10165	12.2
111.08081	6.5
119.08600	14.2
121.06496	3.3
121.10153	10.1
123.08086	34.9
123.11742	6.1
125.05966	4.4
131.08575	6.6
133.06406	2.7
133.08614	3.9
133.10127	17.9
135.08076	11.3
135.11685	7.6
145.10147	6.3
147.11696	6.2
149.09651	5.5
149.13217	5.8
151.11180	3.7
153.12744	6.8
159.11754	6.2
161.09698	3.0
165.12738	5.3
175.14828	4.7
179.14308	49.4
181.12389	3.8
187.14827	3.0
189.16429	3.9
191.14235	3.2
195.12257	6.3
234.92920	2.8
251.20030	21.6
289.21527	3.5
293.21124	12.0
293.28415	4.7
303.26886	16.4
321.27765	8.0
331.26300	70.8
332.26660	4.6
349.27393	100.0
350.27820	8.0
363.28973	58.7
364.31033	4.0
381.09714	9.3
381.30560	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
55.05503	10.7
56.71283	2.2
57.03431	7.1
59.04977	2.5
67.05497	10.9
67.31989	2.2
69.03436	15.2
69.07053	13.9
71.04990	26.6
72.08141	4.6
74.30399	2.2
79.05489	29.2
81.03431	2.4
81.07055	19.1
83.04993	7.9
83.06123	3.1
83.08630	3.4
84.08140	4.4
85.02909	16.5
86.09716	2.9
87.04459	21.5
91.05491	5.3
93.07042	41.5
94.20736	2.5
95.04984	2.7
95.06082	12.3
95.08609	32.5
96.06869	29.5
97.02905	6.7
97.06530	14.8
97.07648	13.1
99.04450	2.4
99.08116	2.9
100.65262	2.4
101.05987	6.9
101.37158	2.8
105.07040	3.1
107.08602	13.9
108.08876	2.3
109.07635	30.6
109.10159	3.4
111.04456	3.3
111.08054	2.7
113.05982	3.0
115.03942	17.9
121.10146	61.7
123.09198	3.1
125.07158	5.2
126.10266	24.7
127.03928	4.7
129.05455	5.8
131.08658	2.9
136.07576	3.9
139.11180	56.8
149.09590	13.9
152.07072	7.5
152.34065	3.4
153.06619	4.2
155.04259	13.7
157.12231	70.0
158.12582	4.7
167.10667	22.7
170.08095	3.6
170.09277	21.1
185.11719	58.5
203.12779	58.4
204.13309	3.0
214.10684	5.1
234.07640	3.2
258.15515	3.0
279.20691	4.0
288.81989	2.7
312.97739	3.0
323.19653	3.8
337.20981	4.0
338.24481	4.6
382.15994	4.0
382.23328	100.0
383.16956	12.4
383.23300	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
59.54876	0.4
66.93191	0.4
67.05497	1.5
69.07085	0.4
69.24192	2.1
74.60677	0.4
75.15753	0.4
76.00284	0.4
77.57882	0.4
79.05499	0.8
81.07050	1.4
93.07059	1.0
95.08604	0.7
104.96520	0.4
109.10173	0.6
121.10133	0.5
126.68459	0.4
131.08591	0.6
135.08098	0.5
137.05980	1.5
163.06038	9.6
176.06761	0.9
180.34044	0.4
197.43881	0.5
206.06839	0.7
223.13333	0.5
231.12334	1.8
236.07933	0.6
247.07059	0.6
264.07455	1.3
276.07462	1.0
277.17953	1.2
291.19412	2.4
292.06873	1.0
294.08572	0.5
304.06830	3.3
306.08276	0.6
322.07901	1.2
334.07919	0.6
364.08667	1.0
365.23087	1.5
382.10529	2.3
382.23511	100.0
383.23877	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00681	0.3
56.96567	9.5
65.87734	0.3
68.39379	0.3
70.06594	0.9
71.95267	0.7
72.08161	0.4
84.08142	0.5
90.09179	0.5
98.97588	100.0
99.97920	0.9
108.57484	0.3
110.07166	1.4
116.98628	58.4
117.98972	0.5
119.01912	0.8
128.98613	0.3
131.01874	0.4
132.07799	0.3
132.10222	0.3
134.99667	20.5
136.00139	0.4
140.00177	0.8
140.06853	0.5
145.03564	0.5
153.00745	2.3
158.01224	0.6
161.00894	0.3
161.02931	0.3
174.97684	0.8
176.07751	0.4
177.00986	1.6
178.40062	0.3
178.57680	0.3
181.97435	0.6
192.98706	0.4
193.03113	0.4
194.98514	0.3
197.02994	0.7
198.97690	0.4
199.55199	0.3
200.07718	1.3
210.04703	0.3
216.98773	1.9
217.99104	0.3
218.08665	1.7
219.01991	1.0
220.02261	0.4
231.00168	0.4
233.03441	1.2
234.04759	0.4
234.99750	2.3
235.99959	0.5
236.99763	0.4
239.04050	0.6
240.98717	6.1
254.95526	0.4
256.96622	0.4
258.99777	75.9
259.99963	5.9
260.99963	0.3
261.03064	0.9
265.05603	0.4
271.74792	0.3
274.97635	0.7
275.97742	0.4
277.00827	81.1
278.01007	6.2
279.01016	0.5
282.01358	1.3
282.99988	9.7
284.00092	1.2
284.99872	0.9
291.02292	0.7
295.01859	0.6
298.97839	1.2
299.97842	1.3
300.02356	1.8
300.98041	0.4
301.01053	11.1
302.01138	1.9
303.01007	1.1
313.00793	0.4
315.02542	0.5
316.02158	0.4
316.98944	0.9
317.98822	2.0
318.98532	1.1
319.01944	0.4
323.06247	3.6
323.09708	0.8
341.99036	0.8
342.09146	0.5
357.03668	0.5
359.00226	0.6
360.00015	2.0
360.09863	1.0
360.99948	0.4
365.00653	0.4
383.00470	2.7
383.07590	0.6
383.12915	0.6
383.19568	0.4
384.00461	0.5
401.02017	11.3
402.02509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0948
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.20316	0.5
69.07078	0.5
74.61116	0.4
84.34064	0.5
85.02914	0.4
90.05560	2.2
110.07154	1.1
130.06541	0.6
146.06015	0.5
185.04202	11.3
200.86107	0.4
202.10652	0.5
203.11111	0.5
203.70549	0.4
220.11754	1.6
221.04208	8.6
221.12128	1.8
222.04379	0.7
238.27496	0.5
323.09683	1.2
329.26572	0.4
383.09439	100.0
384.09476	4.9
385.46936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1126
Annotation	Resomycin A
Peak:m/z	Relative Intensity
55.01865	0.4
62.61293	0.2
69.03449	0.3
69.23210	0.8
69.23621	0.3
75.04468	0.3
81.07054	0.3
83.04971	0.2
85.02900	1.6
93.07039	0.4
95.08595	0.4
97.02885	0.3
105.07047	0.4
107.08609	0.3
109.10163	0.2
119.08563	0.4
121.10207	0.2
129.07016	0.3
137.02272	0.2
145.10072	0.2
158.01965	0.2
159.08113	0.2
165.06882	0.3
167.08513	0.4
172.05183	2.1
173.06033	0.3
176.06181	0.3
177.06982	0.2
178.07835	0.4
179.08536	0.4
181.06424	0.2
185.05956	0.3
187.07544	0.6
189.06982	0.5
190.07703	0.4
191.08496	0.7
193.10156	0.3
195.08058	0.8
199.07587	0.8
202.07797	0.4
203.08578	0.6
205.06502	1.8
205.10107	0.2
206.07274	0.8
207.08029	1.3
208.08760	0.4
209.09660	0.5
210.06714	0.2
213.05304	0.2
214.06184	1.3
215.06972	0.6
217.06520	0.3
218.07234	1.0
219.08054	2.8
220.08847	1.3
221.05968	0.8
221.09630	0.8
222.06747	0.5
222.10396	0.5
223.07571	2.4
224.08128	0.4
229.08549	1.3
230.07309	0.2
230.09344	5.0
231.08029	0.8
232.08853	0.3
233.05946	1.5
233.09630	0.6
234.06671	2.5
235.07521	5.8
236.08218	0.9
237.05435	0.5
237.09189	1.3
238.06261	0.3
238.09843	0.8
239.06999	0.5
245.05928	0.3
246.06721	0.8
247.07526	4.1
247.09792	0.2
248.08310	3.5
249.05438	0.9
249.09081	2.8
250.06306	1.1
250.09798	0.8
251.07019	6.2
251.09723	0.3
252.07622	0.7
253.08553	1.5
254.09262	0.4
257.08170	0.5
259.07635	0.6
260.08328	0.7
261.05383	1.0
261.09119	1.3
262.06271	2.5
262.09454	0.4
263.07037	8.8
264.04602	0.3
264.07654	2.4
265.08600	4.0
266.05743	3.0
266.09335	1.9
267.06339	0.4
267.10190	0.7
273.05353	0.3
274.06229	0.8
275.07001	7.4
276.04477	0.4
276.07761	3.0
277.05090	0.6
277.08545	6.5
278.05820	0.8
278.09338	4.3
279.06537	4.3
279.10086	1.2
280.07306	1.8
280.10464	0.3
281.08099	1.6
281.11737	1.0
282.08765	0.4
287.06949	0.3
288.07755	0.3
289.04953	0.7
289.08591	2.2
290.05707	2.1
290.09348	0.9
291.06512	5.9
291.10019	1.0
292.03961	0.3
292.07181	1.9
293.04745	0.4
293.08063	5.1
293.11526	0.4
294.05536	0.3
294.08780	3.9
295.06235	0.4
295.09549	1.6
296.10364	0.5
297.11075	0.2
303.06531	0.9
304.07266	1.8
305.08051	12.2
306.08823	16.8
307.05960	2.0
307.09567	7.1
308.06821	0.9
308.10367	11.8
309.07581	2.4
309.11124	19.6
310.11536	1.2
311.12741	0.2
317.04617	0.3
317.08124	0.3
319.05911	1.4
319.09634	3.8
320.06644	0.3
320.10059	0.5
321.07559	1.4
321.11221	1.1
322.08325	3.9
322.11990	0.3
323.05569	0.3
323.09058	3.1
324.09888	6.2
325.10306	0.6
332.06763	0.6
333.07559	3.0
334.08325	11.4
335.05405	0.9
335.08926	1.5
337.10663	17.1
338.11252	3.2
339.12250	8.1
339.16391	0.3
340.12735	0.3
347.09106	2.1
348.09732	0.3
349.07086	0.5
350.07800	3.5
351.08417	1.2
352.09311	2.5
353.10040	0.5
365.10193	17.8
366.10416	1.6
368.08875	0.3
383.11224	100.0
384.11560	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1124
Annotation	Resomycin A
Peak:m/z	Relative Intensity
51.42657	0.5
55.05499	0.7
59.61852	0.6
67.05511	0.7
72.21357	0.6
73.37226	0.6
79.05512	1.1
81.07056	1.8
85.02907	2.2
91.05469	0.9
93.07045	1.8
98.23444	1.2
105.07002	1.0
107.08592	1.2
108.73746	0.6
109.06539	0.6
117.75033	0.5
119.08598	0.8
119.54669	0.6
133.10138	0.8
135.11670	0.6
143.08543	0.6
151.07555	0.5
151.11214	0.5
172.05170	1.4
178.07834	0.6
189.06970	0.8
191.08676	0.6
195.07954	0.8
197.06003	0.5
203.08591	0.6
205.06531	1.8
206.07243	0.9
207.08099	1.3
214.06299	1.5
215.06967	0.6
218.07306	0.7
219.08102	2.3
220.05101	0.5
220.08954	0.8
221.05907	1.3
223.07404	2.9
229.08638	1.9
230.09401	4.9
232.09059	0.6
233.06032	1.3
233.09618	0.8
234.06699	2.5
235.07481	5.6
236.08112	0.9
237.09126	2.0
238.09790	1.1
246.06822	0.7
247.07533	4.2
248.08298	4.3
249.05540	1.4
249.09106	4.3
250.06238	1.2
250.09875	1.5
251.07030	7.3
252.07825	0.9
253.08588	1.9
261.05557	1.0
261.09192	1.4
262.06384	2.7
262.09851	0.7
263.07010	9.7
264.07724	3.8
265.05298	0.5
265.08560	4.3
266.05801	4.0
266.09158	2.1
267.06720	1.7
267.09937	0.6
273.18622	1.0
274.06149	1.2
275.06982	7.4
276.04852	0.8
276.07574	3.8
277.05136	1.1
277.08615	6.1
278.06039	1.1
278.09338	5.0
279.06570	5.3
279.09711	1.2
280.07257	2.7
281.08017	2.1
281.11581	0.8
289.05124	0.6
289.08600	1.9
290.05731	1.7
290.09338	1.3
291.06580	6.3
291.09763	1.0
292.03714	1.1
292.07196	2.1
292.75424	0.6
293.08112	6.4
294.08682	4.9
295.06165	0.9
295.09448	1.1
296.10547	1.2
297.11111	0.6
303.06601	1.0
304.07355	2.3
305.04620	0.4
305.08044	13.0
306.08817	19.3
307.06046	2.1
307.09567	6.8
308.06757	1.7
308.10297	11.3
309.07547	3.0
309.11142	23.2
310.11487	1.3
311.12521	0.6
317.07819	0.8
319.06061	1.5
319.09662	4.5
320.06509	0.6
321.07422	2.1
321.10980	1.2
322.08200	5.3
323.09030	3.9
324.09863	8.0
325.10287	0.8
333.07642	3.1
334.08350	11.5
335.05420	1.2
335.09006	1.7
337.10709	17.6
338.11346	3.6
339.12268	5.7
347.09210	2.2
349.07004	0.9
350.07773	4.0
351.08487	2.0
352.09460	3.7
365.10138	16.9
365.19293	1.3
366.10678	1.5
368.08746	0.7
383.11234	100.0
383.16483	7.9
384.11569	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1128
Annotation	Resomycin A
Peak:m/z	Relative Intensity
60.64466	0.5
66.19198	0.5
67.05420	1.3
69.95941	1.1
75.03352	0.4
75.04373	2.7
79.05412	0.5
80.94086	0.6
81.06971	1.5
81.22702	0.5
88.22673	0.5
93.06953	1.2
95.08508	0.9
97.85315	0.5
98.22604	0.5
105.06956	1.2
107.08511	0.7
109.10061	1.0
111.04237	0.5
119.08515	1.1
121.10007	1.4
127.17115	0.5
129.90747	0.5
133.10027	0.7
185.05965	0.5
190.07657	0.6
201.05484	0.6
202.07645	0.6
205.06401	2.2
207.07980	1.4
217.06458	0.8
218.07176	1.3
219.08145	2.6
221.05876	1.2
227.66187	0.5
233.06058	3.3
234.06715	4.8
235.07588	6.5
236.07964	0.8
246.06792	1.1
247.07553	6.7
248.08360	3.1
249.05496	4.6
249.07784	0.5
249.09155	1.0
250.06175	3.0
251.07036	2.5
260.08377	2.8
261.05438	2.3
261.08728	0.7
262.06216	8.9
262.09827	2.4
263.07059	12.8
263.09940	0.5
264.07779	8.5
265.05176	0.9
265.08490	3.9
266.05646	1.6
275.07074	2.6
276.07819	2.0
277.05081	1.6
277.08575	12.1
278.05780	1.6
278.09271	5.3
279.06491	3.4
279.09549	0.9
280.07230	2.3
281.08145	4.5
288.07690	0.8
289.05038	0.9
289.08655	0.6
290.05673	0.9
290.09195	1.5
290.45453	0.6
291.06531	11.1
291.10022	2.9
292.07309	25.6
293.04733	1.0
293.08032	20.6
293.11652	4.9
294.05246	2.0
294.08734	3.9
295.06146	0.6
295.09601	1.0
304.07449	2.5
305.08203	3.6
306.08829	5.0
307.06390	4.3
307.09641	100.0
308.06744	1.9
308.10291	27.6
309.07544	2.9
309.10968	1.7
317.04449	0.8
319.06238	0.7
319.09549	2.8
321.07687	0.6
321.11240	8.5
322.08261	3.6
322.11649	0.6
323.05594	0.8
323.09119	11.3
324.09933	32.4
325.10297	3.2
332.06772	4.6
333.07379	1.2
334.08420	1.2
335.05527	0.9
337.07138	0.9
337.10703	0.6
338.11438	5.0
339.12289	30.3
340.12598	2.3
347.09177	7.7
348.09622	0.8
350.07773	4.8
351.08585	12.3
352.09360	1.5
365.10214	27.4
365.19553	1.5
366.10587	2.7
368.09036	2.3
383.11319	17.7
383.16107	0.9
383.21002	1.0
383.24384	4.1
384.11719	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1126
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
63.73914	0.6
63.83811	0.5
69.31102	2.6
77.69459	0.5
84.69861	0.6
85.02910	1.3
144.57446	0.6
148.32368	0.7
167.56818	0.5
172.05176	2.3
191.08508	0.6
195.08000	1.4
205.06506	1.1
207.08125	1.3
214.06258	1.0
215.06892	1.2
218.07269	1.0
219.07977	2.7
220.08775	1.0
223.07532	2.7
229.08624	1.7
230.09306	5.1
233.05956	0.9
234.06778	2.2
235.07538	4.9
236.08257	0.8
237.09105	1.2
238.10023	0.8
240.07854	0.7
246.06549	0.6
247.07532	3.5
248.08411	2.5
249.05440	0.8
249.09135	2.9
250.06401	1.5
250.09712	1.2
251.06982	5.7
253.08508	1.1
254.08957	0.7
257.08017	1.3
261.05365	0.6
261.09061	0.9
262.06219	2.3
263.07040	7.3
264.07733	2.1
265.08630	3.2
266.05774	2.4
266.09442	2.0
267.06531	0.7
267.09961	1.0
274.06485	0.8
275.07001	5.5
276.07758	2.0
277.05249	0.9
277.08539	6.3
278.06406	0.8
278.09250	3.9
279.06516	3.5
279.09567	0.9
280.07257	1.5
281.08072	1.9
281.11713	1.6
289.05096	0.9
289.08539	1.7
290.05707	2.1
290.09344	1.6
291.06531	5.3
291.10196	1.6
292.07117	1.2
293.08060	4.6
294.05484	0.9
294.08868	3.9
295.09595	2.1
296.10303	0.6
303.06485	1.1
304.07239	1.4
305.08041	12.7
306.08832	17.3
307.05969	2.9
307.09552	5.4
308.06989	0.7
308.10413	10.1
309.07541	2.5
309.11124	21.3
310.11511	1.1
319.05963	1.7
319.09702	4.4
320.10260	0.8
321.07648	1.3
321.10992	1.0
322.08255	3.2
323.08865	2.7
324.09897	6.9
325.10355	1.0
333.07462	3.5
334.08365	10.6
335.05359	0.9
335.08954	1.6
337.10675	16.9
338.11227	3.1
339.12225	7.1
340.12643	0.9
347.09256	1.8
350.07950	3.1
351.08459	1.3
352.09363	3.1
353.10049	1.0
365.10190	15.7
366.10544	2.2
383.11240	100.0
384.11588	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36304	2.2
51.58439	1.9
55.05508	4.2
67.05502	3.6
69.03414	4.1
69.07057	8.3
71.04999	3.0
75.22050	2.6
78.93632	2.2
79.05503	5.2
81.03407	3.4
81.07056	7.4
82.07396	2.4
83.08611	2.3
85.02901	8.7
87.04507	2.4
91.05488	4.3
93.07049	6.1
95.04994	3.3
95.08601	4.6
97.02913	2.4
99.04488	5.8
100.11292	2.1
105.03358	2.3
105.07061	5.1
107.04911	3.0
107.08607	5.3
109.06515	2.6
109.10156	2.1
111.04356	2.6
115.05461	4.6
117.07013	2.8
119.08597	3.0
119.26930	2.3
121.10136	6.4
123.04417	2.4
125.05807	2.8
127.05462	2.1
128.06190	5.9
129.07001	42.8
131.08589	4.6
133.06482	3.1
133.10197	3.1
135.04416	37.2
136.04723	4.2
142.04132	7.5
143.04927	7.5
143.08621	3.0
145.06494	7.9
145.10104	2.9
146.10378	2.9
149.02284	2.7
157.06494	23.4
159.11685	4.4
163.03947	7.3
171.04422	7.0
172.05208	12.1
173.05980	67.2
174.06506	2.6
185.06030	13.0
189.06981	5.4
191.08504	5.4
195.09973	3.0
199.03870	34.5
201.05457	65.3
202.05803	5.0
203.10757	2.8
205.06535	7.1
209.06020	7.1
213.05579	3.2
215.07060	3.1
217.06561	7.8
218.07167	4.4
219.06267	2.9
219.08107	6.8
223.07603	2.5
229.07431	6.7
231.06509	100.0
232.06880	2.8
233.06007	5.0
234.06639	2.5
235.07611	13.8
236.04900	2.6
237.05536	5.8
243.06470	10.1
247.07417	13.4
249.09045	3.5
263.06995	16.1
264.07504	2.6
265.08633	3.0
267.06592	4.8
275.07037	27.6
277.08542	4.9
279.06381	3.3
281.13589	22.6
292.03619	2.6
292.07156	2.6
293.08072	10.0
295.15198	7.5
303.06519	4.6
305.08081	35.2
306.08621	4.6
307.06155	2.9
307.09393	4.9
321.07507	4.8
321.11026	2.3
333.07599	6.7
335.05469	2.8
337.07251	4.7
337.10779	4.1
351.08554	3.7
365.06238	14.8
365.10458	14.9
383.14053	13.2
383.21027	4.0
383.25473	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.8
58.06612	1.0
62.25104	0.6
64.60732	0.7
70.06606	5.1
71.06093	0.9
72.08155	1.7
81.17436	0.7
83.04975	0.7
85.02900	1.5
93.07068	0.8
95.06097	1.1
95.08646	0.9
97.02898	0.6
98.97588	0.9
110.07175	8.8
127.03918	0.9
133.10124	0.8
141.10316	0.8
156.07697	2.7
177.05444	0.7
184.79459	0.7
185.04201	3.5
185.11775	1.1
187.76039	0.6
189.05188	0.7
217.78098	0.6
220.07135	3.7
221.04276	0.9
221.07881	4.2
268.16583	0.8
277.08911	0.6
383.13165	100.0
384.13489	4.1
384.21338	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
69.03427	0.6
70.06586	2.2
71.04979	0.8
79.05477	0.8
81.03422	1.2
81.07055	1.0
83.06087	1.7
85.02898	2.4
85.31747	0.5
87.00833	0.9
91.05453	0.6
93.04535	0.8
93.07043	0.8
95.06071	2.2
95.08628	0.9
97.02898	1.3
98.97546	0.8
99.08092	1.3
105.01850	1.2
110.07159	12.0
115.94057	0.6
120.73912	0.6
121.10131	0.8
125.09727	0.6
127.03911	1.1
143.44777	0.6
145.04976	0.7
156.07692	4.5
185.04225	3.0
185.11702	1.0
189.05278	0.7
215.21309	0.6
220.07062	5.3
221.07820	7.1
233.35883	0.7
239.02165	0.8
257.03397	0.7
262.12631	1.1
383.13092	100.0
384.13611	6.7
384.21231	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97819	0.3
55.01868	0.3
55.05508	0.5
56.05027	1.9
56.96565	2.0
57.03418	0.3
62.23467	0.3
65.10056	0.3
67.05486	0.8
67.94057	0.3
68.05020	1.1
69.03442	0.5
69.35710	1.1
70.06582	0.3
71.04984	0.3
79.05487	1.8
81.07050	1.0
84.04497	9.7
84.08114	0.3
84.25961	0.2
84.96020	0.8
85.02892	0.7
91.05472	0.8
91.11036	0.3
93.07037	0.7
94.06561	1.1
95.04973	0.7
95.06078	1.0
96.04492	0.3
96.06866	4.8
97.02827	0.3
97.07632	0.8
98.22694	0.6
98.97579	5.9
102.05531	0.3
104.05325	0.6
105.07043	0.5
106.06548	100.0
107.06888	2.4
109.06595	0.3
110.07181	1.7
110.97562	2.5
112.99126	0.7
113.02347	0.5
114.05531	2.1
116.98650	1.9
117.05758	0.4
118.06522	3.7
121.06476	1.6
122.06839	1.3
123.04442	0.3
124.99100	0.3
125.07116	6.5
128.98593	2.7
130.04988	0.8
130.06509	2.4
131.00137	0.4
134.05977	0.4
135.08066	0.3
140.98615	0.6
142.04970	0.9
143.00171	0.6
144.05276	0.4
144.08064	3.2
144.98042	0.3
146.05901	0.3
146.09665	0.3
147.07986	0.3
152.98637	0.3
154.06506	0.8
156.07854	0.4
158.06007	0.3
158.76294	0.3
158.99612	1.0
160.07532	0.6
161.01234	0.5
162.06354	0.6
162.09122	2.6
170.99614	0.8
171.07642	13.6
171.09166	43.1
172.07578	4.0
172.09549	2.1
173.10677	0.3
174.09129	0.4
177.00685	1.0
179.03818	2.6
179.08929	0.3
189.10252	2.0
190.08588	2.1
193.05373	0.3
197.04831	1.0
199.08669	0.4
200.07098	1.0
201.00729	0.9
215.08089	0.4
217.09709	31.8
218.08093	8.0
218.10051	1.9
219.01753	3.2
219.08614	0.4
221.04857	1.9
221.17250	0.3
233.08145	0.7
235.10760	67.7
236.11086	3.6
237.02824	4.9
239.06000	0.4
255.03755	0.4
301.16263	2.3
303.16855	0.5
321.18805	0.8
323.07990	9.3
324.08386	0.9
329.51459	0.3
337.21109	0.3
338.20749	0.5
341.09061	8.3
342.09341	0.5
353.56464	0.3
364.10492	0.3
383.11270	2.5
383.17523	3.5
383.21710	15.9
384.17328	0.3
384.21576	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68303	0.4
55.01879	0.4
55.26484	0.4
56.05021	1.3
57.03432	0.5
59.17250	0.4
67.05502	0.6
68.05033	0.7
69.03423	0.8
69.71811	1.4
70.06586	0.7
72.08150	4.1
76.03809	0.3
79.05488	1.7
81.07021	0.8
84.04500	8.9
84.08097	0.5
85.02896	1.0
91.05485	1.0
94.06596	1.1
95.04979	1.0
95.06067	0.8
96.04504	0.4
97.02885	0.4
97.06520	0.4
97.10116	0.4
105.07044	0.6
106.06551	100.0
107.04955	0.4
107.06897	2.5
107.08578	0.7
110.07153	1.6
110.09682	0.7
113.02358	0.6
113.07070	0.4
114.05522	2.1
118.06527	3.2
119.86821	0.4
120.08084	0.5
121.06467	0.4
122.06061	0.6
126.05551	0.4
130.05026	0.7
130.06546	1.4
132.93129	0.4
134.06010	0.5
136.07593	0.5
142.04959	1.1
144.08067	2.7
145.02754	0.6
145.10031	0.4
154.06519	1.0
158.12610	0.6
160.07567	0.6
162.09140	2.5
170.87416	0.4
171.09167	46.4
172.07570	3.7
172.09535	2.3
174.09186	0.8
175.81915	0.4
177.05444	0.6
189.10233	2.5
190.08699	2.2
198.29564	0.4
200.07088	0.9
207.11346	0.4
210.90959	0.4
217.09720	35.1
218.08121	8.1
218.10004	1.2
219.08560	0.5
228.01442	0.4
235.10767	74.0
236.11072	2.9
264.15997	4.1
266.17416	1.4
281.18564	0.5
335.23227	1.7
338.20724	1.2
352.25919	5.5
383.17914	2.8
383.22650	0.6
384.21240	3.2
384.28531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
67.05518	6.2
72.01270	1.2
72.06853	1.4
79.05479	4.0
79.62121	1.3
81.07052	2.8
91.05483	6.7
93.07045	2.6
95.04964	2.5
103.05482	2.1
105.07019	8.3
107.04956	5.7
109.10148	4.4
116.78114	1.2
117.07018	5.1
119.08536	2.5
120.05707	4.2
121.06504	13.8
121.10135	2.0
122.07272	3.8
123.04343	1.4
129.06985	1.5
131.04913	3.1
133.06485	5.4
133.10127	2.1
135.04434	4.5
136.05203	7.5
137.05966	4.8
141.06944	1.5
145.06473	7.1
146.07249	16.0
146.94913	1.5
147.08043	3.9
148.05170	2.3
149.05980	4.8
150.06758	10.4
151.07536	42.5
152.08127	1.4
157.06459	4.3
158.07265	3.4
161.05962	7.0
162.06697	3.6
163.07504	1.8
165.05504	6.0
165.09103	100.0
166.06294	12.8
166.09419	3.4
169.06467	2.3
171.08125	2.1
173.05911	1.8
174.06749	4.6
175.07614	1.7
175.11156	1.7
176.08327	18.2
177.05643	2.8
177.09097	67.0
178.09442	2.9
180.07785	21.9
181.08583	36.3
184.08791	4.7
186.06657	1.5
187.07503	1.8
188.08292	8.0
189.05365	1.8
189.09102	9.1
192.07863	1.9
195.10153	66.8
196.10495	3.0
199.07608	1.9
200.08311	3.1
201.09079	22.2
204.07784	3.1
207.10161	49.5
208.10378	2.2
214.09906	3.0
215.10675	11.1
219.10184	11.4
231.10147	6.2
245.11862	2.9
262.09732	2.0
263.10583	1.6
264.06781	1.3
278.13095	1.4
283.16821	8.1
290.13074	1.6
291.10300	2.2
293.11597	1.5
303.13647	1.2
305.11685	2.9
306.12335	3.5
309.14822	1.8
321.11252	1.7
321.14804	4.7
337.14261	11.5
338.14865	1.8
339.23294	8.2
351.15918	3.3
352.16541	25.5
353.13400	1.6
353.17230	2.2
365.22943	3.6
368.16107	3.2
383.18445	61.6
383.23743	15.5
384.18759	5.9
384.30908	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15879	2.8
51.18176	2.5
53.03943	5.0
55.01871	5.3
55.05507	27.0
56.84307	2.3
57.03437	11.4
57.07070	7.8
59.12386	2.7
59.73521	2.6
61.02916	10.4
65.03938	3.8
67.05502	26.5
68.55985	2.6
69.03423	25.5
69.07063	25.2
71.04982	4.8
71.08617	6.5
73.02911	7.2
76.06625	2.7
79.05507	19.5
81.03418	12.0
81.07051	68.8
82.44839	2.6
83.04993	3.3
83.08625	13.0
85.02898	59.7
87.04472	4.0
88.10797	2.7
91.05472	23.3
93.07040	65.3
93.07604	4.8
95.04990	3.9
95.08598	50.4
97.02898	17.4
97.06559	3.8
97.10168	3.3
98.23413	7.2
99.04441	4.9
105.07021	75.4
107.08585	81.1
109.02879	6.1
109.06545	12.5
109.10152	58.4
111.11759	3.7
117.07037	6.1
119.08572	57.7
121.06493	3.0
121.10133	37.8
123.08087	7.7
123.11697	21.5
125.09644	3.3
127.03899	6.6
127.15108	2.8
131.08591	10.3
133.10132	40.8
134.10504	3.0
135.08057	4.1
135.11678	18.3
137.09595	4.3
137.13254	2.8
143.08598	4.3
145.04976	10.1
145.10104	17.2
147.11691	55.1
149.13287	10.2
151.11165	33.4
156.09370	2.7
157.10184	3.5
159.11630	14.7
160.27408	3.2
161.13252	23.9
163.11160	3.4
163.14796	21.5
165.12738	3.8
171.11662	5.4
172.05235	4.3
173.13309	8.6
175.14854	14.3
182.78885	2.8
183.11707	3.0
201.16461	7.9
203.17937	83.3
204.18262	4.5
205.19626	4.0
213.16402	4.4
215.17932	3.6
218.70091	2.9
221.18979	17.0
230.09412	8.7
235.07489	4.4
249.09167	3.7
251.07123	6.8
262.06427	4.2
263.07092	13.1
264.07797	3.7
266.05878	4.5
267.06793	7.1
275.07086	9.3
276.07858	5.3
277.08557	9.4
278.09164	4.6
279.06415	5.4
291.06546	6.0
293.08008	5.0
294.08667	4.3
295.09561	4.4
305.07965	15.3
306.08795	25.9
307.09521	12.0
308.10257	10.4
309.07623	5.7
309.11023	23.9
321.07562	3.4
322.08524	3.6
324.09689	6.9
329.21167	5.5
333.07666	4.0
334.08334	15.3
337.10703	23.8
339.12012	4.5
347.22549	6.1
350.07904	5.2
365.10144	18.8
365.23468	7.3
383.06256	4.7
383.11270	100.0
383.16638	12.5
383.24323	8.7
384.11560	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01875	15.0
55.05513	26.3
57.03434	25.3
57.03662	4.0
57.07072	11.5
57.58583	3.9
58.28375	3.7
59.04977	4.4
61.02916	11.2
64.47247	3.8
67.05506	47.2
69.03426	45.1
69.07066	34.1
71.04990	48.9
73.02905	13.1
73.71471	4.6
79.05494	42.3
81.03423	23.2
81.07055	100.0
83.04980	15.5
83.08610	13.2
85.02908	59.5
86.49312	4.4
87.04457	7.8
91.05473	37.7
93.07047	79.2
95.04966	27.7
95.08601	81.9
97.02890	26.0
97.06533	12.0
97.10174	6.6
99.04453	11.1
99.08083	5.1
103.03913	11.9
103.79103	4.4
105.07018	78.7
107.04902	6.1
107.08591	67.7
109.02885	9.3
109.06506	20.7
109.10147	69.3
110.07156	7.2
111.04448	15.0
111.11700	5.4
115.03922	10.1
117.07021	13.7
119.08573	90.6
121.06516	13.1
121.10131	67.4
123.04407	7.1
123.08060	14.6
123.11694	41.2
125.05972	8.3
125.09621	13.9
126.08202	3.9
127.03928	10.1
127.07612	4.7
127.11169	21.3
128.06262	4.6
129.05466	6.6
129.07021	9.0
131.08560	41.0
133.05058	10.8
133.06453	7.5
133.10124	63.2
135.04411	10.1
135.08037	10.3
135.11694	43.0
136.07571	54.3
137.05942	7.8
137.09583	21.5
137.13220	9.0
140.07063	6.4
142.07797	9.0
143.08539	30.8
145.04913	6.6
145.06543	9.0
145.10130	39.7
147.08095	12.4
147.11668	57.6
149.09607	9.9
149.13254	21.2
151.07475	7.3
151.11189	16.4
153.12730	10.7
155.08543	11.6
156.09340	5.4
157.06531	5.1
157.10101	43.1
159.11697	57.2
160.07613	7.9
160.12053	5.7
161.09590	13.5
161.13275	27.6
163.03877	7.2
163.07545	5.9
163.11186	12.8
163.14894	5.0
168.06590	5.2
169.10129	12.2
171.07956	6.0
171.11671	29.3
173.06024	9.9
173.09717	5.4
173.13295	19.4
175.11203	14.0
175.14760	12.2
177.09074	8.2
177.12764	15.3
177.16423	6.9
181.10130	6.7
183.11632	15.6
185.13318	10.8
187.14787	9.9
189.09138	6.2
189.12769	8.0
189.16391	18.1
195.11726	11.9
197.13344	11.2
199.07489	8.0
199.11145	7.6
199.14888	7.6
201.12727	15.0
201.16394	17.9
203.17917	30.0
205.12215	6.8
207.11734	10.6
207.17366	5.4
209.13225	4.6
213.12769	11.7
213.16313	5.0
215.17918	6.9
217.15865	7.5
219.17474	15.7
221.19023	14.1
225.12775	12.8
227.17984	11.3
231.06488	6.7
231.17513	9.7
233.18925	23.8
235.07416	6.0
241.15886	4.9
243.13800	7.6
243.17560	7.0
245.19025	12.7
251.10809	5.4
257.18866	7.4
261.14926	6.9
261.18372	4.6
263.06934	15.3
263.20132	7.4
269.19016	6.8
273.18600	6.4
277.08594	12.6
278.17365	9.3
279.15732	6.0
287.20090	9.9
291.06610	7.2
297.16959	5.0
305.07932	8.5
307.09549	19.8
308.10379	6.2
311.20010	10.7
317.21173	4.9
321.11105	30.2
329.21048	24.9
334.08447	6.7
339.12238	8.5
347.22107	22.9
365.23184	26.2
366.10388	5.2
366.23117	7.8
383.11206	52.2
383.20956	30.3
383.24585	35.3
384.20248	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
53.97589	3.6
55.01883	9.7
55.05508	26.7
57.03432	9.2
57.07067	4.1
59.05008	5.4
61.02908	7.7
67.05516	33.7
69.03432	37.5
69.07069	27.1
71.04993	48.0
73.02906	8.1
79.05489	34.6
81.03414	20.0
81.07051	100.0
83.04974	11.0
83.08611	11.4
85.02905	43.6
85.06548	8.7
91.05475	40.5
93.07043	63.9
95.04969	27.7
95.08603	68.4
96.08904	4.7
97.02914	19.0
97.06538	12.0
99.04436	7.3
99.08093	6.7
100.11244	9.0
103.03924	11.0
103.05510	3.8
105.07024	75.5
107.04958	9.3
107.08591	69.2
109.06509	18.4
109.10149	58.8
110.07169	4.7
111.04412	9.8
113.09649	5.9
115.03933	7.9
115.05460	5.3
117.07009	13.7
119.08594	63.1
121.06491	11.7
121.10146	41.0
123.04412	4.9
123.08074	18.4
123.11694	24.1
125.09653	8.1
127.03894	7.0
127.11199	34.4
128.06195	5.6
129.06979	11.9
131.08527	28.0
133.10117	49.0
134.09651	5.0
135.08046	11.6
135.11702	43.6
136.06152	4.1
137.05981	13.0
137.09572	8.0
137.13309	4.6
139.07564	5.1
141.07004	5.8
142.07829	7.6
143.08540	17.9
145.04977	6.0
145.06480	5.3
145.10115	37.2
147.08029	13.7
147.11688	37.0
149.09613	9.4
149.13232	11.9
151.07568	4.0
152.05684	5.3
153.12756	32.9
155.08565	4.0
156.09294	6.8
157.10118	24.9
158.06036	8.6
159.07985	5.5
159.11708	40.4
160.12009	5.7
161.09596	10.0
161.13231	25.4
163.14783	4.9
165.12753	6.6
169.10130	7.4
171.07996	3.9
171.11678	19.8
173.09579	5.5
173.13235	15.8
175.11108	7.7
175.14821	11.4
177.09113	6.7
177.12738	8.5
177.16432	6.1
183.11739	9.9
185.13206	12.0
186.05609	9.4
187.14784	7.5
189.12877	7.5
189.16415	11.3
193.15858	8.5
195.11687	5.6
197.13249	6.1
199.14905	4.3
201.12839	7.3
201.16336	8.0
203.14296	5.1
203.18054	23.5
210.14885	5.0
213.16310	4.7
215.17963	4.7
217.12280	4.3
219.13885	5.1
219.17445	7.4
221.18979	11.5
225.12813	7.4
232.06038	22.8
233.18935	6.9
241.15895	5.0
243.13849	5.4
243.17427	6.3
245.19002	14.0
250.07051	13.2
257.18927	6.3
263.20105	7.9
279.15945	4.4
293.18930	5.0
305.21313	4.7
306.08420	4.7
311.19949	9.1
329.21072	11.3
347.22134	12.9
351.23254	4.4
365.22821	9.2
383.16153	8.1
383.20361	6.8
383.24481	16.8
406.88770	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32126	0.7
58.32051	0.7
63.30168	0.8
64.70139	0.7
67.05488	1.1
69.07068	1.6
69.80499	0.6
71.24775	0.6
79.05479	1.0
81.07045	1.3
84.65166	0.7
93.07101	0.8
93.67682	0.6
95.08597	0.9
99.31492	0.6
101.32158	0.7
123.04771	0.7
134.28180	0.6
139.26657	0.7
143.03815	0.7
162.40628	0.7
251.95004	0.8
252.61008	0.7
285.14664	1.0
314.18555	2.2
383.25568	100.0
384.25830	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.68585	1.9
53.03941	4.4
55.01874	2.7
55.05521	13.3
57.07064	10.1
59.05000	5.9
62.06660	2.2
67.05501	20.5
68.40398	2.6
69.03432	16.0
69.07065	9.3
69.23264	12.9
71.04988	6.0
75.05502	2.5
77.03910	2.6
79.05493	22.1
81.07052	30.9
83.04965	6.7
83.08625	4.5
85.06544	4.8
91.05473	33.7
93.06451	3.7
93.07041	76.1
94.07378	2.6
94.25816	2.4
95.04970	25.9
95.08611	37.4
97.06518	12.8
105.04551	2.8
105.07031	68.0
107.08592	40.4
109.06510	22.7
109.10148	17.4
111.08074	10.3
115.05485	4.7
116.06223	2.9
117.07011	11.0
119.08582	53.1
121.06513	12.3
121.10144	38.6
123.08061	30.0
128.06252	5.3
129.07010	10.0
130.07849	2.8
131.08572	25.9
133.06491	8.9
133.10130	31.7
135.08038	22.9
135.11699	5.5
137.09618	10.0
142.07765	15.0
143.08545	23.6
144.09271	4.7
145.10117	38.6
147.08020	20.6
147.11676	14.9
148.08841	2.6
149.09593	20.6
151.07559	39.2
153.09096	5.0
155.08574	5.4
156.09343	7.1
157.10143	38.2
158.10890	2.3
159.08055	7.5
159.11679	15.3
161.09593	22.8
161.13245	8.4
163.11166	10.8
165.09126	38.1
167.08597	2.6
169.10149	5.9
170.10822	5.1
171.11671	9.6
172.11978	2.3
173.09674	11.7
173.13277	5.4
175.11211	20.9
175.14848	9.3
177.09100	11.9
177.12645	2.7
178.09818	3.0
179.08617	3.6
180.09151	2.3
183.11763	3.1
185.13252	23.0
187.11153	4.6
189.12761	8.7
191.14366	4.1
195.11673	5.0
197.13266	6.8
199.11195	3.5
201.12715	5.3
202.13208	2.5
203.14308	31.5
207.11858	3.8
207.13805	16.2
209.13309	5.5
209.15375	7.4
211.14772	3.5
212.39963	2.3
213.12846	3.5
213.16364	2.6
215.14247	10.7
217.12280	2.9
219.13811	4.7
221.13397	3.2
221.15341	79.7
222.15689	3.3
227.14340	7.5
231.13818	4.0
233.15401	8.7
234.16081	11.2
237.14789	3.6
247.17030	2.6
267.17505	2.9
274.19424	3.8
281.18777	3.9
286.19241	5.5
287.20059	14.0
291.17548	2.4
299.20062	3.3
303.19446	10.5
309.18665	3.6
317.24435	2.8
331.77499	2.4
335.25885	4.7
347.23764	4.2
360.71829	2.2
365.24661	16.5
373.58899	2.8
383.11414	2.8
383.25778	100.0
384.26169	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03932	3.7
55.01875	5.5
55.05508	20.9
57.03449	2.8
57.07077	8.8
59.04985	5.8
67.05507	29.6
69.03443	17.0
69.07070	9.5
70.70741	3.0
71.04993	7.8
77.03897	2.8
79.05495	27.5
81.07056	42.4
83.04969	11.6
83.08621	9.3
85.06565	5.9
88.05224	2.5
91.05477	41.7
93.07050	100.0
95.04967	38.2
95.08603	41.5
97.06530	18.3
97.12489	2.4
103.05486	3.9
105.04507	5.4
105.07034	89.9
107.08602	45.4
109.06528	32.3
109.10167	25.5
111.08088	9.5
115.05482	7.8
117.07028	14.0
119.08588	54.8
120.09373	3.4
121.06529	15.3
121.10137	50.1
123.08065	25.6
125.09636	2.8
128.06239	12.4
129.07018	19.1
130.07814	5.2
131.08578	34.1
133.06491	10.5
133.10144	36.9
135.08051	27.2
135.11710	7.3
137.06050	3.9
137.09615	9.7
141.06992	6.9
142.07773	25.6
143.08571	29.6
144.09343	4.6
145.10132	40.1
147.08066	28.6
147.11676	17.7
148.08810	3.1
149.09618	23.6
151.07538	44.4
155.08574	5.2
155.10663	3.4
156.09308	11.9
157.10132	44.9
158.10829	3.3
159.08081	10.1
159.11678	17.3
160.08804	4.5
160.12181	2.7
161.09642	20.2
161.13290	5.8
163.11212	8.4
165.09113	37.3
167.08548	2.5
169.10143	6.3
170.10962	5.2
171.11707	9.7
173.09639	11.3
173.13275	8.4
174.10320	2.6
175.11177	25.6
175.14854	4.3
177.09152	10.2
178.09938	3.1
179.08591	4.2
179.14365	2.7
181.10127	5.9
181.12323	4.0
182.10925	5.4
183.11604	6.0
185.09636	4.1
185.13222	19.1
187.11076	4.7
187.14854	6.2
189.12755	10.0
191.14349	3.7
193.10043	3.9
194.10806	2.7
195.11700	6.6
197.13274	10.0
199.11284	6.0
199.14784	3.2
201.12762	4.9
203.14317	22.9
207.11871	3.1
207.13815	7.7
209.13304	5.9
209.15273	5.8
211.14818	6.9
213.12758	5.3
215.14334	9.6
219.13812	6.1
221.13283	6.2
221.15364	64.9
222.15669	3.6
223.14850	4.1
225.12613	2.9
227.14377	7.6
229.79091	2.7
231.13831	3.3
233.15456	5.0
234.16116	8.3
237.14761	3.3
249.16521	2.5
265.15808	2.9
269.18832	3.5
286.19351	3.2
287.20084	9.7
299.20111	3.9
303.19550	8.5
309.18130	2.6
365.24649	13.8
383.18271	16.5
383.25787	64.7
383.32993	3.1
384.26138	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05508	10.3
57.03428	3.4
57.07067	7.2
59.03685	3.6
59.04970	4.4
59.49304	3.7
67.05498	15.7
69.03403	5.1
69.07059	8.1
69.14721	25.3
70.44368	3.7
71.04997	7.0
79.05488	15.2
81.07059	32.2
83.04923	4.5
83.08604	5.6
91.05459	21.8
93.07037	53.5
95.04972	14.4
95.08598	22.3
97.06548	7.1
105.07026	32.8
107.08585	24.8
109.06503	14.7
109.09497	3.4
109.10129	18.9
111.08127	5.2
117.07013	7.2
119.08576	33.2
121.06503	7.2
121.10150	29.3
123.08060	15.4
125.09637	5.5
129.06993	6.2
131.08559	17.4
133.06439	5.2
133.10114	23.7
135.08055	14.7
137.09592	7.3
142.07805	9.9
143.08556	10.3
145.10106	29.1
147.08025	14.2
147.11684	11.4
149.09601	12.3
151.07501	27.1
155.08524	4.4
156.09337	6.9
157.10104	27.0
159.08038	4.8
159.11681	10.4
161.09631	13.2
161.13315	6.3
163.11200	6.4
165.09076	22.9
169.10062	4.4
171.11571	5.6
173.09647	5.6
173.13254	8.1
175.11230	10.9
177.09106	5.1
182.10846	4.5
185.13280	9.1
189.12737	6.4
203.14339	20.4
207.13768	6.1
213.12904	6.5
215.14293	6.3
221.15370	53.1
227.14130	4.3
233.15314	4.9
286.19315	7.8
287.19934	7.9
303.19418	5.8
327.14206	6.3
365.24609	8.6
383.11533	7.7
383.20355	100.0
383.25739	56.8
384.20880	8.9
384.25751	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
55.05507	5.9
57.07071	4.0
57.58836	2.1
59.22094	2.1
67.05496	7.1
69.07057	7.7
71.08624	11.1
79.05498	5.1
81.07053	13.6
83.04990	4.0
83.08610	5.5
91.05473	4.8
93.07034	7.3
95.08606	10.2
97.06516	5.9
99.08096	10.7
102.14948	2.5
105.07020	2.9
106.40549	2.3
107.08593	6.7
107.43841	2.4
109.10154	7.2
111.04408	3.7
111.08109	3.1
119.08587	3.0
121.10159	3.9
137.05981	2.4
149.13263	4.5
171.13795	100.0
172.14172	4.1
181.12167	5.7
231.15828	5.6
279.19388	3.1
305.24692	5.4
333.24197	24.2
347.25781	3.3
365.26892	13.5
383.20355	10.6
384.20789	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01857	6.9
55.05513	23.9
57.07074	15.0
67.05516	19.6
69.07066	30.7
71.04976	4.2
71.08609	9.2
71.46664	3.3
76.23084	2.7
79.05473	14.1
81.07050	50.6
83.04988	17.0
83.08607	9.6
85.06536	8.7
88.15514	2.9
91.05473	14.5
93.07040	25.5
95.04970	5.9
95.08594	31.2
97.06528	13.1
99.08092	10.0
101.09631	7.7
104.30960	3.0
105.06989	17.5
107.04958	4.1
107.08588	27.3
109.06506	24.9
109.10179	14.9
111.04437	67.4
111.08067	6.9
117.06991	3.3
119.08558	13.0
121.06512	7.5
121.10131	18.1
123.08077	25.2
123.11674	5.8
125.05991	61.0
125.09647	5.1
129.07077	3.4
131.08565	5.2
133.10147	14.7
135.08047	22.2
135.11697	19.7
137.05971	100.0
137.09631	6.3
139.07547	6.2
143.08560	4.1
145.10115	15.1
147.11685	10.6
149.09586	9.5
149.13234	5.9
151.07500	10.9
153.12785	19.4
155.14299	5.2
157.10126	9.4
159.11732	5.3
161.09592	8.6
163.11214	15.0
165.09109	5.5
165.12646	4.4
175.11194	7.2
175.14810	4.5
179.10628	7.3
179.14336	47.0
181.12213	52.2
182.12944	7.6
191.14268	3.6
193.12209	3.9
195.13792	18.6
203.18005	3.2
213.16457	5.0
221.15276	3.5
221.18968	4.3
223.20482	3.5
231.17477	6.0
249.18549	12.3
277.17993	32.9
291.19415	10.2
293.21027	12.2
295.18973	8.2
309.20609	6.5
329.24664	4.6
331.41388	3.5
347.25812	15.4
348.26483	3.7
349.27371	59.6
350.28104	16.9
365.27075	14.8
366.27219	3.4
383.28040	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
56.05028	1.3
67.05498	1.0
68.05021	0.4
69.07090	0.5
70.06599	0.6
70.57921	0.6
79.05492	1.4
80.05015	1.7
81.03419	1.6
81.04543	2.0
81.07064	2.2
82.04903	0.4
82.05333	1.6
83.05004	0.6
83.06103	11.0
83.08623	1.0
84.08177	0.7
85.02900	1.6
85.06532	0.5
91.05504	0.9
93.04530	5.3
93.07034	0.8
95.04986	1.2
95.06091	13.6
95.08622	0.7
104.04984	0.4
105.07022	0.4
107.06081	6.5
107.08613	0.6
109.06416	1.1
109.07652	0.5
110.07163	42.9
111.05556	2.1
111.07467	0.5
112.08725	1.0
113.07125	0.8
119.06067	1.3
119.08559	0.6
120.05590	1.0
121.07628	3.2
121.10148	0.6
122.07157	1.6
122.08389	0.5
123.09199	1.5
129.07002	0.5
131.06038	3.3
131.08598	0.5
132.06805	0.6
133.07619	2.6
133.10135	0.4
134.07132	0.7
136.08737	0.5
138.06668	0.5
139.05017	0.5
146.07147	0.5
148.08685	2.0
149.09544	0.6
150.10229	0.6
156.07689	4.3
193.12288	0.9
222.94760	0.3
223.34654	0.4
251.12659	0.7
257.16513	1.4
275.17474	3.3
284.17645	1.2
285.15915	2.0
293.18570	12.6
294.19006	0.9
302.18677	2.7
320.19711	6.7
323.19614	0.9
338.20718	24.8
339.19312	1.2
339.20541	1.1
340.17398	1.1
340.22211	0.9
366.20215	4.7
384.21265	100.0
385.18176	1.5
385.22238	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.3
57.03442	1.9
57.07075	1.6
61.38205	1.4
67.05154	2.4
67.05502	31.2
69.03427	3.3
69.17659	8.0
69.50080	1.4
70.06586	2.8
71.04978	2.0
72.08157	6.3
79.05475	3.1
81.03415	2.8
81.07057	76.3
82.07369	1.9
83.06116	2.0
83.08610	1.8
85.02906	12.5
86.09686	2.8
91.05497	1.9
93.07066	1.8
95.06083	5.7
95.08590	3.6
95.49900	1.4
97.02895	4.9
97.10145	2.1
98.22576	2.6
99.04427	1.5
105.07017	1.7
110.07166	8.3
110.09705	1.3
114.06749	1.4
116.07085	2.3
119.08611	1.4
119.48108	1.3
122.06037	2.0
123.11703	77.9
124.12070	2.6
136.07600	1.2
141.12740	100.0
142.13109	2.0
159.13751	1.7
187.13287	48.6
188.13647	1.8
199.34056	1.6
203.05333	1.9
205.12595	2.0
205.14326	10.7
236.12839	1.9
264.15945	5.9
266.17490	2.7
281.18265	1.5
311.48230	1.3
335.23233	2.6
338.20755	6.2
352.25885	12.8
384.16443	1.9
384.21207	20.8
384.28500	4.6
385.14197	1.7
385.18253	14.7
385.22168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11054	2.2
55.05508	9.5
57.07088	3.6
58.36450	2.0
61.08463	2.0
67.05495	11.1
69.03417	3.4
69.07081	16.9
71.04977	3.0
71.08630	17.4
71.22964	3.3
76.46917	2.1
79.05492	6.7
81.07058	22.7
83.04989	2.9
83.08614	6.6
85.02921	2.5
91.05466	9.0
93.07053	12.7
95.04959	4.5
95.08611	14.5
97.06539	5.5
98.22714	2.2
99.08086	16.0
100.65770	2.2
105.06999	11.4
107.08586	7.9
107.16932	2.0
109.06523	15.8
109.10172	5.8
117.06956	2.9
119.08591	13.3
121.06535	5.3
121.10136	8.0
123.08067	3.2
123.11713	5.2
131.08594	7.3
133.10117	9.0
135.08000	5.2
135.11707	3.4
135.80977	2.1
136.68042	2.5
139.11197	3.4
145.10103	4.3
147.11646	3.6
149.09592	3.7
151.07553	9.0
151.11223	2.0
159.11613	3.3
161.13246	2.6
165.09180	3.2
165.12750	35.5
166.06320	3.3
168.43907	2.3
175.14857	2.9
177.12712	3.4
181.08537	5.7
209.18967	7.0
212.10715	5.8
279.19467	2.6
289.25381	13.9
290.25696	2.7
307.26318	3.6
307.29742	2.4
317.24741	93.3
317.28510	4.8
318.25171	6.3
335.25803	100.0
336.26147	8.2
353.26773	3.2
366.24472	5.1
370.17865	4.9
384.20602	7.5
384.25482	18.8
385.19995	6.7
385.25278	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	19.3
59.99961	2.1
63.23548	2.6
69.03440	3.8
70.06613	13.9
72.08157	5.9
82.49400	2.6
84.96051	2.6
85.02919	5.9
88.02211	12.8
97.02881	6.1
98.97584	63.0
101.00877	21.3
107.04964	6.5
109.02912	2.6
110.07195	3.9
110.97556	8.9
112.08752	3.0
113.00856	2.9
116.07111	3.0
116.98617	38.9
118.08616	2.7
119.01923	54.7
128.98611	11.2
131.01906	16.1
134.02695	18.4
134.99677	14.9
136.06183	22.4
137.02959	9.8
138.06534	2.6
143.01843	18.6
145.03491	7.1
145.19560	2.7
146.99574	2.9
155.01863	12.9
156.03351	6.2
157.03450	7.7
158.09299	4.0
161.02960	72.2
161.05952	5.6
162.03108	4.3
173.03024	13.2
174.04410	8.4
175.11966	2.9
177.00812	5.2
177.05511	3.5
179.04082	3.2
183.11304	2.9
184.02225	10.1
184.04660	2.8
185.02921	16.4
186.04480	6.3
187.04539	3.9
193.08678	2.9
197.01436	3.9
197.02972	19.4
201.00659	2.6
203.03970	17.4
204.05544	3.1
208.02202	8.0
215.04071	3.8
219.01810	16.1
221.05054	4.4
225.06215	2.4
226.03314	7.3
227.04071	4.2
237.02754	23.7
241.05659	8.8
244.04388	4.4
245.05052	29.0
246.05280	3.9
250.03229	14.8
253.05632	6.1
255.03847	3.1
258.99689	14.1
259.99957	4.8
260.99661	12.2
261.03122	10.7
262.03427	5.2
263.06110	9.3
265.05771	6.8
274.97537	4.6
277.00809	16.0
278.01059	5.4
279.00626	12.2
283.06604	12.6
292.98544	3.7
310.05472	7.2
313.07764	2.8
314.02347	5.4
325.05859	22.7
326.02219	20.8
343.07608	3.6
344.03271	16.6
344.07318	2.3
344.08539	2.3
385.09558	100.0
385.21646	8.3
385.25894	5.1
386.09906	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44154	4.1
68.95343	4.0
70.06590	10.5
72.92474	4.2
75.32472	5.0
76.82693	3.9
80.49478	4.0
84.42274	3.9
88.02197	6.9
134.02737	5.8
136.06175	8.6
151.91716	3.9
188.62859	4.6
200.76395	4.9
226.30731	4.2
350.16199	5.1
385.08969	100.0
385.13995	5.2
385.25424	11.3
386.09155	8.5
397.72913	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
52.03156	0.2
53.00294	0.2
53.03937	0.2
55.01870	0.1
55.05484	0.1
59.04993	0.2
63.02358	0.2
65.03915	0.8
66.04708	0.2
67.05488	0.4
68.99783	0.1
69.38006	0.5
71.04987	0.2
75.04473	1.7
77.03904	0.7
78.04689	0.8
78.05077	0.1
79.05489	2.6
80.06276	0.9
81.07027	0.1
82.30526	0.1
89.06022	0.2
90.04681	0.6
91.05475	8.0
92.05766	0.2
92.06275	0.2
93.03396	0.2
93.07039	1.2
94.04150	0.2
95.04967	1.5
95.08581	0.2
95.50679	0.1
101.05997	0.1
102.04638	0.1
103.05457	3.6
104.06272	0.2
105.03384	0.6
105.04515	0.5
105.05513	0.7
105.06249	0.1
105.06382	0.1
105.07018	3.9
106.04168	1.0
107.04951	7.3
107.08591	0.3
108.05751	3.8
109.06523	2.0
110.07280	0.2
115.05432	1.6
116.06224	0.3
117.06258	0.2
117.07017	2.4
118.04150	0.6
119.04946	1.4
119.06052	0.5
119.08544	0.7
120.02055	0.1
120.05724	0.9
121.02872	0.7
121.06501	7.4
121.10104	0.1
122.07391	0.5
123.04438	1.0
123.08072	2.7
123.95221	0.1
124.05190	0.3
125.05974	0.4
128.06180	0.6
129.06969	0.9
130.07806	0.2
131.04918	4.5
131.08545	0.8
132.05743	0.6
133.02876	0.2
133.06483	6.1
134.03639	0.3
134.07339	0.6
135.04407	3.2
135.05312	0.1
135.08047	5.4
136.05190	14.9
137.05978	4.1
137.09590	0.3
138.06781	1.5
139.07541	1.8
141.06999	0.4
142.07809	0.1
143.04892	0.6
143.05988	0.2
143.08632	0.5
144.05687	1.0
145.06479	5.1
146.07263	4.3
147.04424	1.0
147.08044	7.2
148.05176	5.0
148.08488	0.3
149.05983	2.6
149.07085	0.4
149.09598	1.3
150.06757	4.0
151.04059	2.8
151.07530	100.0
152.04631	0.4
152.07849	3.4
153.05429	0.8
153.06621	0.1
153.09081	1.4
154.06221	0.1
155.04868	0.1
155.05997	0.2
155.07079	0.2
156.05676	0.3
157.06468	1.1
158.07269	1.7
159.04375	0.3
159.08054	3.3
160.05159	0.5
160.08835	2.4
161.05972	10.8
161.09596	2.1
162.06743	1.8
163.07532	16.3
164.08318	3.5
165.05473	2.4
165.09102	17.6
166.06242	29.9
167.07021	8.0
167.10666	0.1
168.07773	1.2
169.06456	0.2
169.08635	0.6
170.07162	0.1
171.08054	2.7
172.05254	0.2
172.08815	1.5
173.05981	3.1
173.09613	0.7
174.06746	2.4
174.10265	0.1
175.07526	3.2
175.11113	0.1
176.08318	7.0
177.05556	1.0
177.09093	33.4
178.09566	1.7
179.07025	2.8
179.10632	3.0
180.07797	3.4
181.08577	72.4
182.08923	2.7
183.10089	0.7
184.08937	0.1
185.05965	0.3
185.09633	0.7
186.06747	0.4
186.10365	0.8
187.07518	4.2
187.09187	0.2
188.08316	4.0
189.05560	0.6
189.09084	12.1
190.06252	0.2
190.09846	2.7
191.07048	1.2
191.10646	12.2
192.07800	1.5
192.11018	0.7
193.08586	10.1
193.12257	0.1
194.09280	1.5
195.10152	7.2
196.10561	0.4
199.07552	0.2
200.08353	0.2
201.09096	4.8
202.08388	0.1
202.09857	4.4
203.07048	0.6
203.10652	7.8
204.07835	0.6
204.11081	0.4
205.08611	2.3
205.12233	0.3
206.09349	1.0
207.10146	7.2
208.10748	0.4
209.11636	0.6
215.08727	0.2
215.10614	1.3
216.07658	0.2
216.11383	0.9
217.08609	0.5
217.12204	3.3
218.09346	0.9
218.12584	0.2
219.10138	1.7
220.10742	0.1
221.11670	1.2
229.12234	0.1
231.08118	0.2
231.10173	0.6
231.13692	0.2
232.08542	0.2
232.10785	0.2
233.09596	0.1
233.11691	1.7
238.09874	0.2
239.10579	0.2
245.11734	0.2
246.10320	0.1
247.11153	0.2
247.13268	1.5
249.08917	0.2
253.12288	0.1
259.07361	0.1
259.11203	0.1
261.09143	0.1
261.12723	0.3
262.13254	0.1
263.10629	0.5
264.11383	0.2
275.10696	0.3
276.11337	0.1
277.12326	0.2
278.12787	0.2
279.13651	0.3
289.12158	0.4
290.12915	0.3
291.10110	0.4
291.13461	0.1
292.10913	0.3
292.14450	0.2
293.11923	0.2
293.15298	0.6
295.13235	0.3
305.11884	0.1
306.12344	0.3
307.13245	1.0
308.14075	0.3
309.11142	0.1
311.16443	0.4
321.14917	1.3
322.15707	0.9
323.12790	0.5
323.16364	0.9
324.13510	0.2
325.17953	0.2
337.14197	0.2
338.15097	0.7
339.15878	2.2
340.16568	0.6
353.13046	0.2
353.17444	4.9
354.18188	10.3
355.15204	0.9
355.18863	1.5
356.15863	0.2
369.16977	0.2
370.17706	40.3
371.13297	0.2
371.18048	3.7
383.18472	0.3
385.20044	68.9
386.20392	6.6
386.27963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
51.02378	0.2
55.01857	0.3
55.05520	0.2
65.03936	0.6
66.04707	0.2
67.05492	0.4
69.33600	0.2
69.33998	0.5
75.04472	2.0
77.03931	0.6
78.04711	0.6
79.05482	2.1
80.06265	0.8
81.07042	0.4
81.09639	0.1
89.03894	0.2
89.06027	0.3
90.04684	0.6
91.05473	6.6
92.05788	0.2
93.03413	0.2
93.07038	0.9
94.04189	0.3
95.04968	1.3
95.08579	0.3
97.06526	0.2
98.22646	0.3
101.05994	0.1
103.05453	2.8
105.03379	0.7
105.04516	0.4
105.05495	0.7
105.07027	3.1
106.04188	0.8
107.04945	7.3
107.08582	0.2
108.05743	3.8
108.06471	0.2
109.06538	1.5
115.05431	1.4
117.07008	2.2
118.04163	0.9
119.04942	1.2
119.06048	0.4
119.08543	0.5
120.05714	0.7
121.02850	0.2
121.06502	5.7
122.07361	0.7
123.04441	0.7
123.07233	0.2
123.08061	2.0
124.05185	0.3
125.05958	0.2
128.06209	0.4
129.06993	1.0
131.04918	3.5
131.08554	0.6
132.05681	0.6
133.02820	0.2
133.06480	5.3
134.07220	0.5
135.04407	3.2
135.08041	4.8
136.05190	13.1
137.05989	3.6
137.09563	0.4
138.06749	1.4
139.07527	1.3
141.06920	0.3
143.04918	0.5
143.05992	0.2
143.08569	0.3
144.05692	0.6
145.06480	4.0
146.07265	4.3
147.04402	1.1
147.08043	6.7
148.05182	3.9
148.08392	0.3
149.06001	1.9
149.07115	0.1
149.09560	0.8
150.06752	3.8
151.04111	2.1
151.07529	100.0
152.04622	0.2
152.07848	3.3
153.05464	0.8
153.09084	1.2
156.05658	0.3
157.06490	1.0
158.07274	1.2
159.04399	0.4
159.08038	2.2
160.05138	0.6
160.08830	2.3
161.05966	11.6
161.09616	2.0
162.06758	1.8
163.07535	15.8
164.08308	2.9
165.05489	1.6
165.09103	15.6
165.10562	0.3
166.06244	26.7
166.09479	0.6
167.07030	7.3
168.07776	1.0
169.06441	0.3
169.08582	0.8
170.07248	0.2
171.08049	1.9
172.05232	0.2
172.08829	1.4
173.05988	2.7
173.09583	0.6
174.06740	2.3
175.07506	2.8
176.08318	7.0
177.05577	0.8
177.09094	32.7
178.06297	0.2
178.09602	1.6
179.07027	3.0
179.08617	0.1
179.10651	2.6
180.07800	2.9
181.08577	69.1
182.08934	2.3
183.10118	0.5
184.08923	0.2
185.05881	0.2
185.09610	0.5
186.06709	0.5
186.10393	0.7
187.07532	3.5
187.09221	0.2
188.08298	3.1
189.09082	10.9
190.06262	0.3
190.09850	2.7
191.07043	1.1
191.10649	11.3
192.07820	1.4
192.11034	0.6
193.08589	10.0
194.09354	1.6
195.10141	6.3
196.10495	0.3
200.08290	0.2
201.09084	3.7
202.09857	3.9
203.07022	0.7
203.10660	7.2
204.07820	0.4
204.11072	0.3
205.08589	2.1
205.12212	0.3
206.09348	0.9
207.10144	7.3
208.10626	0.4
209.11720	0.6
214.22968	0.2
215.10582	1.2
216.11346	0.8
217.08621	0.4
217.12199	3.7
218.09343	0.6
218.12512	0.3
219.10051	1.6
219.11740	0.2
219.56375	0.2
221.11714	1.5
229.56552	0.2
231.10117	0.6
233.11676	1.7
234.12224	0.2
238.09799	0.2
246.10216	0.2
247.11148	0.2
247.13319	1.8
253.08434	0.2
253.12123	0.2
263.10568	0.3
264.07666	0.1
275.10593	0.3
277.12070	0.2
279.13623	0.6
289.12170	0.4
290.12958	0.3
291.10162	0.2
291.13950	0.1
292.14355	0.2
293.08105	0.2
293.11798	0.2
293.15274	0.6
295.13242	0.3
306.12479	0.2
307.09567	0.4
307.13235	0.8
309.10956	0.3
310.11938	0.2
311.16327	0.5
321.14868	1.0
322.15628	1.1
323.12753	0.6
323.16364	0.9
324.13400	0.2
330.16959	0.1
338.15112	0.5
339.15845	2.2
340.16519	0.6
353.13098	0.2
353.17447	5.2
354.18204	9.8
355.15161	0.9
355.18839	1.5
370.17706	36.9
371.18051	3.5
383.18143	0.3
385.20044	72.0
386.13010	0.2
386.20395	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.3
55.01855	0.3
65.03938	0.8
67.05496	0.7
69.03421	0.4
75.04479	1.6
77.03911	0.5
78.04702	0.6
79.05496	2.0
80.06260	0.8
81.07040	0.5
85.06580	0.3
89.03918	0.3
89.06039	0.4
90.04686	0.8
91.05473	6.9
93.03412	0.4
93.07061	1.2
95.04980	1.1
95.08577	0.4
103.05465	3.6
105.03382	0.7
105.04456	0.5
105.05489	0.7
105.07029	3.9
106.04175	0.9
107.04243	0.5
107.04946	7.5
107.08598	0.6
108.05737	3.1
109.06517	1.7
109.10153	0.2
115.05465	1.3
117.07011	3.0
118.04125	0.6
119.04913	0.9
119.06023	0.4
119.08573	0.8
120.05710	0.7
121.02865	0.6
121.06508	6.8
122.03641	0.3
122.07333	0.4
122.29822	0.2
123.04406	0.8
123.08065	1.9
124.05186	0.3
128.06229	0.5
129.07005	0.8
130.04115	0.2
131.04919	4.5
131.08560	0.9
132.05621	0.3
133.06487	6.4
133.23598	0.2
134.03519	0.3
134.07227	0.5
135.04414	3.6
135.08055	6.0
136.05196	12.1
137.05997	3.4
137.09558	0.3
138.06795	1.3
139.07536	1.8
141.07018	0.4
143.04881	0.5
143.05946	0.3
143.08546	0.4
144.05695	1.0
145.06485	4.2
146.07262	4.8
147.04385	1.1
147.08051	7.4
148.05200	4.6
149.06001	2.2
149.07054	0.4
149.09602	1.0
150.06750	3.8
151.04097	2.1
151.07535	100.0
152.04611	0.3
152.07864	3.3
153.05421	0.7
153.09062	1.2
155.05988	0.3
156.05606	0.3
157.06474	0.8
158.07239	1.3
159.04375	0.3
159.08047	2.4
160.05154	0.7
160.08853	2.2
161.05975	11.2
161.09583	2.8
162.06743	2.1
163.07535	17.0
164.08301	2.6
165.05498	2.1
165.09109	16.2
166.06253	26.4
166.09433	0.7
167.07033	7.0
168.07726	1.0
169.08516	0.4
170.07268	0.3
171.08044	1.5
172.08795	1.5
173.05981	2.4
173.09621	0.6
174.06749	1.6
174.10309	0.2
175.07536	3.6
175.11174	0.3
176.08330	7.0
177.05553	1.0
177.09100	34.0
178.09564	2.0
179.07034	2.7
179.10638	2.3
180.07808	2.7
181.08586	67.0
182.08948	2.2
183.10120	0.7
185.09668	0.5
186.06712	0.3
186.10385	0.5
187.07526	3.4
188.08330	2.9
189.09091	10.4
190.09853	2.6
191.07048	1.4
191.10664	12.4
192.07816	1.8
192.11118	0.6
193.08598	10.5
193.10374	0.5
194.09340	1.4
195.10149	6.3
200.08264	0.3
201.09085	3.8
202.09859	3.5
203.07021	0.7
203.10646	6.5
204.07748	0.5
204.11079	0.4
205.08609	1.9
206.09373	1.1
207.10150	7.2
208.10667	0.5
209.11713	0.6
215.10623	1.7
216.11433	0.9
217.08784	0.5
217.12222	4.0
218.09319	0.6
219.10085	2.0
221.11731	1.5
231.10146	0.6
231.13759	0.2
232.10835	0.3
233.11708	1.9
234.39342	0.2
247.11078	0.3
247.13284	1.5
262.13428	0.3
263.10709	0.6
264.11383	0.3
276.11130	0.3
279.13712	0.2
289.12210	0.4
290.12988	0.4
291.10150	0.3
293.07928	0.3
293.15564	0.6
295.13315	0.5
307.13245	0.8
311.16284	0.6
321.14792	1.3
322.15536	0.8
323.12823	0.6
323.16391	0.9
338.15060	1.0
339.15848	1.9
340.16492	0.3
353.17453	6.2
354.18207	10.0
355.15027	1.3
355.19028	1.3
370.17728	38.8
371.18079	3.3
385.20071	70.1
386.20367	6.9
399.11511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01856	2.0
55.05509	8.2
57.03411	1.8
57.07058	0.6
58.13159	0.6
59.04987	0.6
64.01689	0.6
65.03932	1.2
67.05497	8.7
69.03407	1.5
69.07068	9.3
69.66504	2.6
70.18928	0.5
71.04975	0.7
71.08627	10.4
75.04461	1.1
79.05489	9.4
79.80433	0.7
81.03407	1.5
81.07048	10.2
83.04961	2.6
83.08605	4.5
85.02909	0.5
85.06524	1.0
91.05470	7.8
93.07037	5.7
95.04969	6.2
95.08579	4.6
97.02853	0.9
97.06540	1.3
97.10166	4.3
98.23460	0.8
99.08092	5.1
103.05452	1.0
105.07017	4.6
107.04948	6.0
107.08578	5.6
108.05740	2.3
109.05984	0.5
109.06532	4.8
109.10124	2.7
111.08093	0.7
116.93072	0.6
117.07008	2.7
119.04978	0.8
119.08562	1.8
121.06504	7.6
121.10128	3.0
122.07243	0.8
123.04456	1.1
123.08044	2.1
125.09618	3.2
129.06956	1.0
131.04935	1.6
131.08540	2.5
133.06442	2.0
133.10121	2.1
133.76653	0.6
135.04387	1.2
135.08090	4.0
135.11600	1.1
136.05190	9.7
137.05931	2.5
137.09586	0.9
138.06731	1.5
139.07538	1.3
139.11183	1.1
143.08566	1.1
145.06436	1.7
145.10112	1.6
146.07245	1.2
147.08031	1.7
148.05182	3.0
149.05984	1.4
149.09575	1.7
150.06743	2.2
151.03868	2.1
151.07533	44.2
151.11134	1.3
152.07939	1.3
153.09070	1.6
155.08453	0.8
157.06439	1.1
158.07260	1.5
159.07997	2.2
159.11688	0.9
160.08763	1.2
161.05956	1.8
161.09544	0.6
163.07527	3.7
164.08315	2.2
164.11948	1.3
165.05406	1.7
165.09108	11.7
165.12793	1.6
166.06253	19.4
166.09503	0.7
167.06915	2.6
167.10712	1.3
171.08047	2.3
172.08765	1.3
173.05940	3.4
173.09615	0.7
174.06747	2.3
176.08319	1.4
177.09091	7.7
177.12729	2.3
179.06937	0.8
179.10701	1.6
180.07773	2.6
181.08578	39.6
181.12172	2.5
182.08957	2.4
187.07504	3.4
188.08302	2.1
189.09073	5.9
189.11180	1.9
190.09805	0.8
191.10655	2.7
193.08565	2.2
193.12265	1.7
195.10143	4.3
201.09158	3.1
202.09970	3.6
203.10660	3.8
207.10173	1.8
215.10590	0.9
217.12187	1.0
219.10143	1.4
227.12669	1.3
247.13405	0.6
265.21649	0.7
275.20084	4.5
277.21686	1.3
285.16977	0.8
293.21082	100.0
294.21402	7.4
321.14926	0.9
322.15497	1.1
339.15750	1.8
351.25375	2.4
353.17361	4.3
354.18237	5.8
367.24808	26.2
368.25043	2.0
370.17709	18.9
370.22391	0.9
371.17935	1.7
385.20032	48.5
386.20206	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01854	2.6
55.05289	1.1
55.05508	10.8
57.03421	2.8
57.07068	1.7
63.23594	1.0
65.03940	1.5
67.05212	1.2
67.05504	12.6
69.03417	2.3
69.07059	9.0
71.04963	1.3
71.08631	10.9
75.04466	1.3
78.04713	1.2
79.05492	10.5
81.03416	2.4
81.07044	12.1
83.04979	1.7
83.08621	5.3
84.42982	0.9
91.05474	11.5
93.07034	11.6
95.04971	6.5
95.08609	7.1
97.02897	2.3
97.06534	2.5
97.10174	4.8
99.08088	7.9
103.05437	2.3
105.07015	8.1
107.04942	9.5
107.08588	5.9
108.05733	3.5
109.06535	5.6
109.10140	2.8
111.04448	1.4
115.05458	1.0
117.07013	2.7
119.08568	4.4
120.80451	1.0
121.06497	12.0
121.10123	3.1
123.08050	3.4
124.08446	0.9
125.09617	4.2
129.07010	1.3
131.04868	1.4
131.08545	3.9
133.06461	2.1
133.10146	2.6
135.04398	1.5
135.08073	5.3
135.11678	1.9
136.05202	13.9
137.05959	3.0
137.09657	1.7
138.06775	1.2
139.07532	1.1
141.07008	1.1
143.08574	1.4
145.06450	2.4
145.10118	2.3
146.07198	1.9
147.08011	5.1
147.11627	1.6
148.05188	3.9
149.05914	1.8
149.09590	1.4
149.13206	1.1
150.06746	2.1
151.03882	3.0
151.07535	59.9
151.11143	1.5
152.08102	1.9
153.09059	2.4
155.08493	1.2
157.06364	1.6
159.08026	2.7
159.11650	0.9
160.08749	1.0
161.05951	3.0
161.09636	1.4
161.13252	1.7
163.07536	5.5
163.11121	1.3
164.08263	4.0
164.11905	1.2
165.05533	1.8
165.09091	14.8
165.12724	2.9
166.06250	31.1
167.07025	5.1
167.10709	1.3
168.07605	1.3
171.08051	3.5
172.08722	1.4
173.05972	3.8
173.09712	1.1
174.06754	2.2
175.07527	2.4
176.08286	1.5
177.09094	10.6
177.12704	2.6
179.06947	1.8
179.10645	2.1
180.07797	2.4
181.08589	54.8
181.12202	12.3
182.08968	1.9
182.12546	1.5
187.07532	4.7
188.08269	4.5
189.09070	10.7
189.11079	2.8
190.09895	1.2
191.10690	5.0
191.14351	1.6
193.08578	3.2
193.12317	1.2
195.10176	5.1
201.09113	5.1
202.09912	4.7
203.10628	5.7
204.10890	1.2
207.10161	2.9
213.33920	1.2
215.10719	2.3
215.14278	1.7
217.12320	2.2
217.14192	1.0
227.12729	1.1
258.54178	1.0
275.20059	4.6
293.21082	100.0
294.21432	7.3
305.20932	1.3
323.16467	1.5
325.18216	1.3
339.15872	1.4
351.25342	8.6
353.17264	5.4
354.18170	7.5
355.18774	1.4
367.24875	29.3
368.24924	2.7
370.17722	28.0
371.18250	1.7
385.19989	67.1
386.20135	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84077	0.4
55.05508	0.7
56.05037	0.9
57.08608	0.4
57.38907	0.4
66.90187	0.4
67.05492	2.4
68.05028	1.0
69.03452	0.5
69.07058	0.6
70.06571	0.5
70.62289	0.9
71.04993	0.6
79.05493	1.6
80.38935	0.4
81.04545	1.0
81.07058	2.5
82.05319	0.9
83.05006	0.5
83.06105	13.5
85.02921	0.4
86.09697	0.7
91.05483	1.7
93.04517	8.6
93.07046	1.9
95.04965	1.4
95.06092	15.7
95.08608	0.9
95.58387	0.4
97.06528	0.5
105.07036	0.8
107.06075	0.5
107.08615	1.9
109.07696	0.6
109.10183	0.5
110.07164	100.0
111.05566	2.3
111.07529	2.2
112.08732	3.4
113.07080	0.9
119.08614	0.6
120.05582	0.7
121.07605	0.5
131.08562	0.6
133.10126	0.5
135.11766	0.5
138.06635	0.6
139.05028	0.7
147.11671	0.6
149.13255	0.5
156.07684	14.9
159.82738	0.5
163.11200	0.5
177.05481	1.3
189.12738	0.9
207.06537	1.2
207.13843	1.9
225.11015	1.5
259.18130	0.8
277.19119	4.1
304.20184	2.8
307.20215	1.1
322.21222	18.3
323.21640	1.3
324.22842	0.7
340.22372	7.5
368.21808	31.6
369.22037	2.4
386.22836	81.2
387.16330	4.8
387.23282	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.7
57.03435	3.1
57.07067	4.2
62.12777	1.8
63.18922	1.5
67.05504	16.8
69.07074	17.4
69.30015	9.1
70.06590	1.7
71.04985	3.4
71.08630	41.0
72.08923	1.8
79.05481	7.4
81.07050	24.5
83.04935	1.9
83.08610	11.5
83.68969	1.4
84.16357	1.5
85.02896	53.4
85.06523	2.9
88.07611	2.3
91.05477	5.5
93.07035	18.8
95.04966	2.7
95.08601	20.8
97.06527	10.3
97.10163	3.9
99.08088	25.5
100.34209	1.7
102.09172	1.8
105.07019	7.0
107.08575	9.2
109.06514	2.6
109.10166	10.8
111.08102	4.8
119.08575	7.8
121.06446	1.7
121.10131	8.2
123.08067	3.7
123.11693	1.9
129.09067	2.1
133.10144	7.5
135.11682	5.9
137.05916	2.7
137.09618	2.9
139.37576	1.5
145.10101	2.3
147.11665	2.8
149.13225	12.3
151.07573	3.7
157.10181	1.8
157.12216	13.5
159.11717	4.1
160.09752	1.7
161.13260	5.0
165.12753	2.1
167.14293	2.6
169.15833	2.4
177.12764	2.8
179.14357	3.3
181.08612	2.3
189.16422	3.8
195.13814	10.0
197.15271	1.7
199.14813	2.0
207.17406	11.0
211.16942	7.6
225.18474	5.2
231.15913	9.3
235.16953	13.5
253.17973	100.0
254.18213	7.6
271.19128	2.6
285.24213	5.8
305.24710	3.7
333.24191	20.9
351.25281	13.9
386.20370	5.9
386.35623	2.5
386.40149	9.6
387.08301	4.6
392.47763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.05521	34.5
57.03435	30.0
57.07061	7.6
67.05500	87.0
69.03423	7.7
69.07061	29.1
69.29421	38.7
72.80451	6.8
76.77525	6.7
78.13800	7.3
79.05087	10.3
79.05486	79.5
81.07052	90.0
83.08590	14.9
85.06519	10.7
91.05472	71.5
93.07040	100.0
93.25928	6.4
95.04969	12.8
95.08602	78.4
97.06559	13.9
105.07023	74.0
107.08595	69.7
108.74355	6.1
109.10146	38.5
111.08105	13.0
117.07009	24.9
119.08568	67.5
121.10147	51.8
123.11639	9.9
129.06999	8.2
131.07024	9.4
131.08566	34.2
133.10112	53.6
135.11670	34.9
145.10135	38.0
147.11673	37.8
149.13242	17.1
151.07501	13.2
151.11150	10.1
152.07951	8.3
157.10161	8.9
159.11629	32.2
161.13249	15.9
163.11121	10.5
163.14812	9.9
165.09207	7.3
166.06206	11.0
171.11720	19.7
173.13287	12.8
175.14790	17.5
178.09431	8.5
181.08514	16.9
182.08867	9.7
185.13213	17.2
187.14836	19.1
189.08975	8.0
201.16396	11.5
241.19402	25.2
259.20593	62.7
276.65097	7.2
277.21695	41.8
278.22031	7.7
351.25327	60.0
371.18173	10.7
386.20096	37.8
387.08252	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
55.89705	0.5
57.06813	0.6
57.07076	7.0
58.06595	4.5
58.16877	0.4
59.46787	0.5
62.99110	0.4
67.05499	1.0
69.07063	0.5
71.08630	4.1
71.60030	0.4
72.08154	17.1
73.21216	0.4
79.05486	0.7
81.07051	0.7
85.10172	0.8
91.05470	0.6
92.44028	0.5
93.07024	0.6
105.07040	0.5
109.10152	0.6
112.99986	1.4
119.08570	0.7
136.09575	0.5
151.07477	0.6
152.07909	0.6
156.17471	6.7
158.61699	0.5
167.96504	0.6
169.02623	0.7
170.19078	2.7
182.08928	0.7
212.23769	4.9
218.21280	0.6
226.25270	2.1
274.27393	1.0
324.36234	27.1
325.36603	2.3
358.69617	0.5
359.01465	0.5
369.24057	0.4
371.18164	0.6
386.20322	1.3
386.39917	100.0
387.08856	0.6
387.25217	0.7
387.35587	0.8
387.40265	9.8
387.45294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03473	0.4
70.06581	1.4
72.08129	0.5
74.09705	0.6
86.09671	0.6
88.02258	0.6
88.25204	0.6
94.92999	3.0
112.89606	3.1
113.19988	0.5
114.89325	1.7
116.89117	0.6
118.08649	0.8
121.46060	0.5
133.06035	0.8
134.08095	0.7
136.93997	5.2
139.91478	0.6
140.06839	0.7
148.94026	0.9
156.04196	14.9
157.04564	2.1
158.04028	1.5
176.93512	0.6
191.98215	7.8
208.01355	1.2
208.97260	1.4
216.92758	2.0
221.37430	0.5
232.90169	4.2
232.92157	0.9
234.96429	0.9
248.89464	0.5
251.00836	1.5
281.03201	0.5
387.04510	100.0
388.04706	6.3
388.09106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51105	1.4
69.39588	8.3
70.06580	5.3
71.55502	1.4
72.08147	1.9
76.75306	1.6
84.08178	1.5
86.09670	2.6
87.45208	1.5
89.03905	12.1
98.22766	2.8
112.45464	1.6
117.03383	29.0
123.04411	3.0
134.03625	1.9
134.08148	2.2
140.07065	2.5
145.02843	61.3
146.03191	3.1
149.05997	10.6
151.03888	1.5
177.05458	100.0
178.05789	4.5
179.03363	2.0
183.14859	1.8
204.13878	3.6
207.06470	2.8
373.48825	1.7
387.12436	4.1
387.16449	5.9
387.21533	2.9
387.26807	3.3
388.21359	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05631	5.7
61.57484	3.1
63.88445	2.7
65.11887	2.7
69.07074	2.5
69.60966	6.3
69.61362	4.1
70.06587	78.8
71.04981	5.4
72.08152	23.9
73.02901	5.8
81.07044	3.7
84.04527	2.9
84.08150	3.3
86.09708	20.2
89.03912	11.5
95.04961	4.2
98.06012	2.8
105.07034	3.9
106.06535	3.6
110.06037	25.9
112.08732	16.1
116.07102	5.0
117.03366	24.0
123.04419	5.6
127.03877	4.8
130.06496	3.6
130.17416	3.3
133.02881	3.8
142.09671	3.5
145.02826	42.0
149.05965	5.6
151.73833	2.9
157.09778	3.5
175.03859	4.3
175.11891	9.2
177.05464	82.2
178.05797	8.1
179.03381	8.1
186.18806	3.1
196.54611	3.3
197.24492	3.4
204.13791	4.3
225.17020	6.5
255.09686	6.7
271.17548	3.7
274.18649	16.4
288.20230	8.7
343.13669	6.9
387.12332	34.2
387.16220	100.0
387.27066	90.5
388.16318	7.8
388.21191	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03218	2.7
55.05515	3.6
56.96560	21.0
69.03419	6.8
71.46529	3.3
75.58933	2.4
79.05490	4.1
81.03402	4.5
81.07046	4.8
84.96021	11.0
85.02898	13.6
87.00826	4.2
91.05477	24.4
93.07030	3.2
97.02920	5.1
98.97575	50.2
105.01856	3.8
109.02904	3.4
110.07167	6.7
110.97571	14.9
112.99105	4.7
116.98617	18.3
119.04938	30.1
119.08555	3.1
124.99103	3.3
127.03904	6.0
128.98668	13.7
131.04921	3.6
134.99666	6.2
136.07562	11.9
137.05954	20.2
140.98615	8.1
143.00151	9.7
143.08403	3.0
144.98167	3.1
146.99722	3.0
147.04408	27.4
152.98550	3.8
158.99611	14.2
162.99156	4.2
167.07057	7.5
170.99632	4.9
172.03851	3.9
175.03893	48.7
177.00722	12.4
189.00696	4.8
199.06422	5.7
201.00693	3.8
204.06625	4.7
207.06517	100.0
208.06866	4.4
219.01782	32.7
234.18584	3.9
237.02798	37.0
301.09549	65.1
319.10638	85.4
320.10971	4.4
331.64319	3.2
342.12619	3.7
343.10760	20.4
351.10620	3.3
355.12924	4.0
361.11551	15.3
387.10327	28.7
387.14856	11.8
388.20914	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03430	1.4
58.19027	0.8
62.06076	1.9
69.03426	1.8
69.07069	0.7
69.99051	2.1
70.06583	7.6
72.08155	2.0
73.02902	2.7
79.05517	0.8
81.07064	1.1
83.04955	0.8
84.08138	1.7
85.02900	6.9
85.35557	0.7
86.03231	1.0
86.09711	4.1
88.27940	0.8
91.05479	2.3
95.08576	1.0
96.04484	7.4
97.02882	2.1
105.01879	1.3
109.02913	1.6
109.10188	1.5
110.07183	1.9
111.04481	1.3
112.05052	2.6
115.03911	0.8
116.07085	2.9
117.03378	0.9
119.04942	3.2
119.08561	0.7
121.10117	0.8
123.04428	0.9
127.03916	3.2
127.31982	0.7
139.07289	2.6
145.02856	2.2
145.04932	2.8
146.05223	0.8
147.04372	3.3
147.11694	1.4
163.03883	1.5
167.06976	1.4
173.12834	1.1
175.03867	5.3
177.05484	3.7
178.05759	1.0
181.08415	1.1
204.13803	1.4
207.06520	12.4
225.07478	1.8
227.05257	1.6
229.15421	1.1
251.06732	2.6
301.12457	7.1
308.12503	6.6
325.12524	1.5
343.13617	36.5
344.13843	1.0
369.11475	1.2
386.22131	1.0
387.12485	100.0
387.16434	41.9
387.27017	3.5
388.12289	4.2
388.16644	2.1
388.21133	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1264
Annotation	Axitinib
Peak:m/z	Relative Intensity
51.43218	0.7
55.05501	1.3
69.03403	0.7
70.06591	6.6
72.08127	2.6
73.48377	0.6
78.26749	0.6
81.07050	1.5
81.56603	0.7
83.45991	0.6
84.04452	0.6
84.08147	1.1
85.02876	2.1
86.09711	4.2
90.44855	0.6
91.05476	0.9
95.04988	0.9
100.10652	0.8
100.11256	11.6
104.82580	0.7
107.04935	0.7
109.10130	0.7
109.91319	0.7
112.08691	0.8
116.07061	1.9
117.03340	1.2
117.07001	0.7
119.04926	1.0
119.08589	0.8
129.06949	0.7
139.07260	3.1
144.08083	20.0
145.02812	2.3
145.06361	0.9
147.04349	1.6
161.10748	3.4
163.03819	1.2
175.03883	1.5
177.05450	4.8
178.05788	1.5
189.12685	0.8
204.13840	1.3
207.06454	3.0
207.13765	1.3
209.16412	2.5
217.11736	0.8
225.07455	1.1
225.10931	1.0
227.05331	0.9
227.15514	0.9
227.17535	13.4
229.15294	1.5
234.70291	0.7
240.37863	0.7
283.10977	0.8
301.12567	7.1
308.12524	1.6
325.12494	0.9
343.13599	33.1
344.13843	1.2
357.85205	0.7
369.11285	1.1
387.12360	100.0
387.16348	12.3
387.26749	2.6
388.12607	6.9
388.20471	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
53.03932	0.8
54.44134	0.4
55.01858	0.9
57.03429	0.8
62.72313	0.4
65.03931	1.5
67.05500	0.8
69.03432	2.3
70.06580	0.7
71.04961	0.5
73.02911	1.0
77.03945	0.6
79.05498	1.0
81.03410	3.6
81.07055	1.3
83.08611	0.6
85.02905	7.0
87.00822	1.4
91.05478	24.9
92.05782	0.7
93.07030	1.3
95.04951	1.1
96.80618	0.5
97.02874	2.0
99.04446	1.2
101.03868	0.6
103.05431	0.6
104.02570	0.5
105.01855	3.5
105.07007	1.7
109.02871	2.5
109.10129	1.0
110.07192	1.2
119.04936	31.6
120.05277	0.8
121.06468	0.9
122.03651	0.6
123.11720	0.6
127.03918	4.4
129.03371	0.6
131.04878	0.8
132.02049	1.4
133.10179	0.5
135.04465	0.5
136.07567	1.3
137.05975	6.6
140.45883	0.4
145.04938	2.1
147.04405	27.1
148.04785	0.9
149.02315	1.5
151.07494	0.7
157.03931	4.3
159.02872	0.6
161.09576	0.6
164.04637	1.1
167.07002	1.9
175.03899	51.1
176.04234	1.8
177.55650	0.5
179.06987	3.1
181.04947	1.4
192.04195	1.2
207.06511	100.0
208.06888	3.7
225.07666	1.0
231.04932	0.9
249.06067	0.6
269.07779	0.6
351.10681	3.1
351.14215	0.6
357.13354	1.1
369.11725	1.5
387.14240	3.3
387.19434	0.8
388.21051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.93536	0.4
55.01863	0.9
55.05518	0.4
65.03931	2.0
66.04724	0.6
67.05485	1.7
69.03451	0.5
69.65141	1.1
70.95193	0.5
77.03915	0.5
79.05499	2.4
81.03416	0.9
81.07053	1.0
83.08615	0.5
85.02896	1.3
91.05472	2.3
91.39771	0.4
93.03410	0.9
93.05796	2.2
93.07033	0.9
94.04166	2.5
95.04946	1.8
95.08543	0.5
102.04649	0.6
103.05457	11.5
105.03405	0.9
105.04530	0.6
105.07030	1.9
107.04934	3.0
107.07400	0.5
108.02074	1.0
108.08125	4.6
109.06514	0.9
109.10187	0.6
111.04417	0.7
115.05449	2.9
116.04977	1.0
117.07031	2.5
118.04157	2.3
119.04919	1.1
119.08610	0.5
121.06464	0.8
122.03635	7.4
123.04389	1.2
124.05303	0.5
125.05975	1.2
130.04149	1.0
131.04922	12.2
132.05733	0.7
132.95459	0.5
133.02875	1.0
133.06496	1.8
134.03630	0.6
135.04384	1.0
135.08026	0.9
135.22884	0.5
136.06755	0.6
136.07571	27.1
137.05966	100.0
138.06273	2.4
141.05458	0.6
143.04912	3.1
144.04419	1.6
145.06494	2.7
146.03593	0.6
147.04369	0.7
147.08049	0.8
148.05176	7.1
149.05981	1.4
151.03900	32.0
151.05003	3.4
152.04309	0.9
153.05434	1.5
155.05983	0.6
157.06483	0.6
160.05174	0.5
161.05925	1.1
162.05481	1.0
163.07523	12.7
164.07024	0.6
165.05518	1.0
167.07025	12.1
171.06529	1.2
172.03912	6.6
173.05981	3.4
175.07535	1.8
176.04628	1.8
177.05428	0.6
177.86897	0.6
179.06999	0.6
181.04930	25.8
182.05327	0.7
182.17151	0.5
187.07474	0.7
191.07014	44.3
192.07339	1.6
193.08652	0.9
201.05461	0.6
203.07018	2.0
204.06534	7.8
205.06750	1.0
205.08592	2.5
207.10178	0.8
209.08110	2.0
233.08080	1.9
233.11732	0.8
235.09590	2.8
247.07533	0.5
249.09805	0.5
263.09183	0.9
265.08698	0.5
277.08646	1.0
279.10062	0.6
305.08252	0.6
309.11523	0.6
325.10693	0.6
327.12433	0.8
337.10687	1.1
351.12000	0.8
355.12726	7.5
357.13297	11.3
358.13705	0.7
369.13107	0.7
387.14334	33.7
388.14603	2.3
388.20413	0.6
388.24936	1.1
391.49115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01877	1.5
55.05524	0.8
58.80928	0.6
58.97307	0.7
59.50417	0.6
65.03943	2.8
67.05515	2.4
69.07069	1.0
72.04555	0.7
77.03941	0.7
78.04738	1.0
79.05491	3.7
81.03434	1.0
81.07065	2.2
83.04997	0.8
83.08617	1.0
84.08146	1.0
84.09091	0.8
85.02912	1.3
91.05485	3.3
93.03405	0.9
93.07036	2.2
93.82233	0.6
94.04185	2.8
95.04970	3.1
95.08631	1.4
97.06522	1.5
98.22688	1.4
103.05470	11.2
105.03400	0.9
105.04501	0.7
105.07033	3.2
107.04953	5.6
108.02120	1.1
109.06530	1.2
109.10145	0.7
110.03646	1.3
111.04446	1.7
115.05447	2.5
117.06977	3.6
118.04156	3.5
119.04973	1.8
119.08604	2.1
121.06532	1.9
121.10170	1.0
122.03635	7.1
123.04424	5.6
125.05992	1.1
129.07027	0.7
130.04100	0.9
131.04930	9.8
131.08542	0.7
132.05688	0.8
133.02838	1.5
133.06483	2.4
135.04448	1.7
135.08070	1.0
135.11726	0.8
137.05977	100.0
138.06316	2.3
141.05429	1.3
143.04918	3.3
145.06471	2.8
145.10126	0.9
146.03636	0.9
146.07159	0.8
147.04381	1.8
148.05190	7.0
149.05943	1.4
150.06813	0.8
151.03911	31.8
151.05008	3.3
151.07530	9.1
152.04408	1.0
153.05515	3.4
155.06010	1.1
157.06555	1.3
158.07309	0.9
159.04381	0.9
159.08017	0.7
161.05959	1.6
163.07544	11.6
164.07820	0.7
165.05354	0.8
165.09109	5.5
167.07047	27.0
168.07251	0.7
171.06526	1.6
173.06003	4.6
174.06697	1.1
175.07492	1.8
176.04623	1.0
177.05382	0.7
177.09120	4.8
179.06998	3.6
181.04948	27.3
183.06532	7.9
183.07977	1.1
187.07513	1.8
188.08226	0.9
189.09052	2.4
191.07034	40.0
192.07274	0.9
193.08556	1.5
197.08080	0.7
201.09084	2.2
202.09691	0.6
203.07031	2.0
203.10632	1.2
204.13757	0.9
205.08601	2.3
205.80806	0.7
209.08008	1.0
217.08609	0.8
217.12180	0.9
228.15877	1.7
233.08109	1.9
235.09634	2.7
238.20639	0.7
263.09088	1.3
265.08295	0.8
277.08643	0.9
277.11661	0.7
291.19727	0.8
292.10565	0.7
295.09497	0.8
309.11115	1.4
314.88800	0.7
323.12720	1.8
325.10562	0.9
333.24301	0.9
337.10556	1.5
351.25015	1.1
355.11487	1.9
355.15271	4.7
357.13336	12.1
387.14209	31.7
387.17899	2.3
388.14490	2.7
388.21698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03925	0.7
53.73152	0.5
54.05728	0.6
55.01862	1.9
55.05502	1.0
55.18794	0.5
56.36458	0.6
56.36811	0.5
57.03422	0.5
65.03934	2.2
67.05493	2.8
69.03417	1.3
69.07067	0.6
69.48352	1.2
69.48750	1.4
79.05499	3.7
81.03401	1.7
81.07042	2.2
83.08622	0.6
85.02893	1.8
91.05469	3.3
93.03397	0.9
93.07032	1.5
94.04166	3.1
95.04947	2.0
95.08599	1.9
97.06532	1.4
98.23450	0.6
103.05463	12.3
104.07104	1.4
105.03395	0.9
105.07034	2.6
105.89330	0.6
107.04962	3.3
107.08595	1.3
108.02097	1.2
109.06513	1.4
109.10134	1.3
110.03650	1.1
111.04427	1.1
115.05424	2.8
117.07035	3.4
118.04133	3.7
119.04973	1.3
119.08577	1.0
121.06489	0.9
121.10126	0.8
122.03644	8.2
123.04436	0.7
123.08058	1.1
125.05976	0.9
130.04166	1.4
131.04918	12.7
132.05592	0.7
133.02841	1.6
133.06482	2.9
133.10097	1.2
135.08038	1.3
136.07545	1.5
137.05971	100.0
137.09583	1.4
138.03131	0.7
138.06328	3.1
141.05499	1.1
143.04942	3.4
143.08578	0.6
145.06468	4.2
146.03654	1.2
147.07950	0.8
148.05193	7.1
149.06000	0.8
151.03908	32.9
151.05006	3.2
152.04390	1.1
153.05470	2.2
155.06030	1.3
157.06458	0.6
161.05969	1.8
161.09572	0.9
163.07539	13.9
165.05473	0.9
165.09129	1.1
167.07034	13.0
171.06528	1.2
173.05916	4.4
175.07555	2.1
176.04718	1.6
181.04951	33.3
182.05287	1.0
187.07487	1.0
189.05469	0.9
191.07022	47.4
192.07399	2.1
193.08594	1.2
202.14375	1.0
203.07051	1.9
204.13914	0.7
205.08636	2.1
207.10132	1.3
209.08138	1.6
210.14873	1.4
210.64037	0.6
228.16019	1.8
233.08032	2.1
235.09645	2.7
237.09052	0.8
246.17010	2.8
263.09259	1.3
277.08728	0.8
309.11053	0.7
328.55881	0.6
333.23920	0.7
337.11014	0.7
355.11841	2.0
357.13269	12.7
358.13315	0.6
387.14365	33.5
388.14548	2.4
388.21255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
50.01596	0.2
51.02393	0.5
53.03952	0.3
55.01879	0.2
55.05510	0.7
56.96564	0.5
59.04978	0.1
63.02387	0.2
65.03916	0.3
67.05501	1.3
69.07075	0.3
69.81619	0.4
71.04996	0.2
75.04488	0.4
77.03925	1.4
78.04710	0.4
79.05495	5.3
81.03422	0.2
81.07053	0.7
83.08633	0.3
85.06541	0.1
91.05480	3.6
92.06233	0.1
93.07033	0.9
95.04963	3.1
95.08603	0.5
97.06538	0.2
98.22735	0.2
103.05471	1.2
104.44595	0.1
105.03385	1.7
105.04501	1.1
105.05534	0.2
105.07026	4.6
106.04169	0.2
107.04963	0.9
107.08628	0.3
108.05708	0.4
109.06523	0.6
109.10221	0.1
115.05482	0.8
116.06255	0.2
117.07027	2.0
118.04135	0.2
119.04933	0.9
119.08614	0.6
120.05730	0.3
121.02900	0.1
121.06495	1.6
123.04424	0.8
123.08067	0.5
125.05998	0.1
127.54192	0.1
128.06224	1.0
128.25430	0.1
129.07011	2.2
130.04146	0.3
131.04924	2.5
131.08566	1.5
132.05753	0.2
133.06494	6.4
133.10095	0.3
134.06837	0.2
135.04414	100.0
136.04657	2.5
137.05975	2.1
137.09584	0.2
138.06772	0.9
139.07498	0.1
141.07016	0.4
143.04924	0.4
143.08559	1.4
144.05554	0.2
144.09178	0.1
145.06496	2.1
145.10127	0.7
146.07245	0.3
147.04420	0.4
147.08061	1.9
148.05190	5.6
149.05998	2.6
149.09558	0.4
150.06703	0.4
151.03903	1.0
151.07541	2.5
153.05489	0.2
153.09180	0.1
155.08569	0.5
157.06450	1.5
157.10124	0.5
158.07208	0.3
159.04419	0.2
159.08092	0.9
159.11617	0.2
160.05225	0.7
161.05980	5.7
161.09544	0.2
162.06697	0.5
163.06172	0.2
163.07542	4.4
163.08882	0.3
163.89354	0.1
164.08128	0.3
165.05487	1.0
165.09189	0.8
166.06265	7.2
167.07059	1.1
167.08405	0.2
168.07799	0.4
169.08644	0.2
169.10037	0.2
171.08060	0.9
171.11659	0.3
171.56854	0.1
173.05981	1.4
173.09616	0.2
174.06718	0.4
175.07556	2.0
176.08318	3.3
177.05463	0.4
177.09100	2.6
177.12608	0.1
179.07022	0.5
179.08443	0.2
180.07800	1.0
181.08595	45.4
182.08951	1.5
183.11693	0.2
185.05949	0.4
186.06783	0.6
187.07538	2.7
188.08263	0.5
189.05475	0.2
189.09094	2.3
190.09918	1.2
191.07051	1.0
192.07838	0.7
193.08615	2.0
194.09351	0.3
195.10152	3.1
195.11835	0.2
199.14810	0.2
200.08344	0.3
201.09113	1.9
201.12874	0.2
202.09834	1.0
203.07068	0.8
203.10632	0.4
204.13815	0.2
205.08618	1.2
206.09328	0.9
207.10155	7.0
208.10498	0.3
209.11748	0.3
213.12804	0.2
216.11441	0.5
217.08568	0.4
218.09399	0.3
219.10184	0.8
220.10754	0.2
221.11658	0.7
223.14981	0.1
231.10143	0.2
232.10973	0.1
233.11726	3.9
234.12070	0.3
241.15750	0.2
245.15265	0.2
247.13220	0.6
251.12839	0.2
277.12378	0.2
293.11578	0.1
307.13229	0.3
308.14026	0.4
320.14142	0.1
323.12759	0.2
324.13242	0.2
329.14215	0.5
333.22168	0.2
337.14282	0.5
338.15070	2.3
339.12286	0.2
339.15854	1.1
341.24854	0.2
347.15356	1.7
351.15918	0.3
351.23239	0.9
354.14612	8.9
355.14923	0.6
365.16330	1.1
369.16968	10.7
369.23740	1.3
370.17239	1.3
387.18018	0.9
387.25259	3.7
388.25647	0.3
404.75772	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1806
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
50.01601	0.2
51.02393	0.4
53.03944	0.3
53.45732	0.1
55.01868	0.2
56.53112	0.1
56.96539	0.1
59.47477	0.1
64.27878	0.1
65.03943	0.3
67.05500	0.3
70.27557	0.1
70.27905	0.1
73.65707	0.1
75.04481	0.4
77.03915	1.4
78.04708	0.2
79.05488	4.4
80.05822	0.1
80.06253	0.1
81.07024	0.2
85.16235	0.1
89.03914	0.1
90.04682	0.1
91.05473	2.2
93.07038	0.2
95.04962	2.7
95.08576	0.1
96.05326	0.1
98.22738	0.1
102.04644	0.1
103.05463	1.2
105.02685	0.1
105.03394	1.8
105.04494	1.1
105.05503	0.3
105.07021	3.5
106.04220	0.1
106.07369	0.1
107.04931	0.7
108.05730	0.3
109.06524	0.4
115.05470	0.7
116.06273	0.1
117.06999	0.8
117.40413	0.1
118.04202	0.1
119.04938	1.1
119.08562	0.2
120.05727	0.2
121.02841	0.2
121.06492	1.2
122.07304	0.1
123.04399	0.8
123.08042	0.5
128.06223	0.7
129.06990	0.9
130.04132	0.1
131.04926	2.5
131.08549	0.2
132.05711	0.2
133.06485	5.7
134.03661	0.1
134.06987	0.1
135.04405	100.0
136.04802	2.4
137.05969	1.6
138.06761	0.6
139.07526	0.3
141.07005	0.1
143.04915	0.3
143.05939	0.1
143.08539	0.6
144.05663	0.2
145.06480	1.7
146.07181	0.3
147.04381	0.3
147.08032	1.8
148.05182	4.0
149.05975	2.5
150.06667	0.2
151.03902	0.8
151.07533	2.1
152.08130	0.1
153.05479	0.2
153.09160	0.2
157.06477	0.9
158.07205	0.2
159.04404	0.2
159.08075	0.5
160.05188	0.6
160.08748	0.1
161.05969	5.1
161.09552	0.1
162.06750	0.5
163.07529	4.2
164.08000	0.2
165.05461	0.9
165.09116	0.6
166.06245	6.6
167.06999	1.1
168.07822	0.2
169.06422	0.1
171.08006	0.9
172.05133	0.1
172.08801	0.2
173.05971	1.2
173.09627	0.2
174.06653	0.3
175.07539	2.0
176.08318	3.1
177.05444	0.5
177.09090	2.6
178.09686	0.2
179.07054	0.6
179.10617	0.1
180.07782	1.0
181.08578	34.1
182.08939	1.3
183.10159	0.1
185.05991	0.2
185.09612	0.1
186.06712	0.3
187.07526	2.9
188.08272	0.5
189.09093	2.4
190.09869	1.7
191.07010	0.9
191.10234	0.1
192.07787	0.9
193.08583	2.0
193.10315	0.1
194.09355	0.6
195.10150	2.7
199.07648	0.1
200.08342	0.3
201.09084	1.7
202.09828	1.0
203.07016	0.9
203.10626	0.4
204.07622	0.1
205.08565	0.6
206.09369	0.7
207.10146	7.0
208.10460	0.3
209.11703	0.2
215.10541	0.1
216.11461	0.4
217.08478	0.3
218.09273	0.4
219.10120	0.6
221.09692	0.1
221.11696	0.9
231.10194	0.2
232.10909	0.2
233.11702	3.7
234.12154	0.2
247.11317	0.1
247.13326	0.7
249.09033	0.1
251.12801	0.2
263.10767	0.1
275.10678	0.1
277.12256	0.1
278.08466	0.1
279.10150	0.1
293.11688	0.1
295.13315	0.2
305.11761	0.1
307.13190	0.3
308.13986	0.3
309.14587	0.1
311.16156	0.1
322.11957	0.1
323.12552	0.2
337.14243	0.4
338.15103	2.1
339.12100	0.1
339.15820	0.9
340.16397	0.1
347.15320	0.1
351.15790	0.2
354.14590	8.8
355.14871	0.6
365.16193	0.1
369.16940	9.2
370.17227	0.7
387.08435	0.4
387.17828	0.6
387.25095	0.2
388.21429	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
57.07063	8.1
59.25604	3.7
62.82074	3.5
67.05517	22.3
70.95732	6.1
71.22292	4.3
71.48362	4.7
81.07106	3.9
85.02889	7.0
85.06544	15.6
86.09701	3.8
89.29459	3.7
90.05923	4.4
91.05470	4.8
92.19325	4.4
93.07027	10.5
95.06119	4.6
95.08603	100.0
96.08896	5.2
105.07033	9.4
107.08598	11.1
110.07137	28.2
111.07474	5.2
113.06002	16.9
119.04916	4.2
119.08562	18.5
121.10159	8.9
123.08054	32.7
123.11701	7.4
135.11676	13.5
147.11722	4.5
149.09596	32.6
161.13235	17.2
163.11182	16.1
165.09068	6.8
165.12790	9.3
179.14302	5.8
189.12790	18.5
207.13802	84.1
225.14778	12.6
251.97993	4.6
323.21429	6.3
369.22141	10.4
387.15863	14.0
387.23367	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	1.9
55.05511	3.7
57.03425	2.8
57.07064	1.7
61.02930	1.5
67.05492	4.4
69.03427	4.1
69.07063	4.8
69.74293	2.3
71.01356	4.9
71.04984	4.7
72.08144	5.6
76.19318	1.2
79.05486	5.8
80.94798	1.0
81.03414	2.6
81.07053	5.7
83.04951	1.9
85.02908	15.7
86.09716	1.3
88.84354	1.1
91.05461	6.7
93.07036	12.6
95.04968	2.0
95.08611	12.9
97.02854	3.3
97.06523	2.9
99.02786	1.2
99.04435	2.1
101.06011	2.5
105.03376	2.4
105.04486	1.5
105.07030	13.6
106.67801	1.2
107.08594	23.8
109.02829	2.5
109.06499	3.4
109.10145	6.2
110.07158	4.9
111.07452	1.3
117.03335	1.5
117.06993	2.8
119.08573	20.3
121.06475	2.8
121.10141	21.8
123.08095	8.1
123.11703	1.6
125.09590	1.7
131.08578	2.7
133.06528	1.4
133.10127	14.6
135.08093	2.6
135.11679	21.6
137.09622	6.8
137.13240	18.2
143.08492	2.3
145.10124	4.4
146.03224	2.3
147.08052	5.0
147.11687	18.4
149.09612	100.0
150.09962	4.7
151.07526	2.6
153.12715	10.5
156.09367	2.4
161.09589	4.4
161.13243	18.8
163.11154	13.1
164.11504	1.3
165.09154	3.4
165.12753	4.4
171.11684	3.6
174.10405	3.6
177.05453	3.6
178.05757	4.7
179.14326	1.8
181.12277	3.8
189.12743	29.8
190.13187	1.8
191.14352	2.4
204.13895	2.0
207.13753	22.1
225.14833	83.8
226.15181	3.4
227.80479	1.3
241.82410	1.3
369.13580	1.8
369.21707	2.1
387.15839	4.5
387.23358	3.5
388.21191	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2378
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.88798	1.6
55.01872	6.6
55.05504	4.8
66.53959	1.8
67.05497	6.3
69.03431	1.8
69.07074	4.7
70.06558	1.9
79.05487	6.1
81.07056	26.7
83.04996	1.9
83.08614	1.7
91.05474	4.9
93.07036	5.5
95.04960	3.2
95.08595	7.3
96.37312	1.5
97.06527	2.6
98.23436	6.1
103.05464	5.8
105.07038	3.3
106.04201	1.6
107.04945	2.7
107.08569	4.4
109.06523	10.3
109.10171	3.0
111.04424	15.3
112.13699	1.7
119.08562	3.4
121.10109	3.4
121.47639	1.7
123.04430	7.6
124.05127	1.8
125.05959	2.6
129.06944	2.1
131.04907	13.3
131.08588	3.7
133.10138	5.3
135.04402	17.9
135.11693	3.9
137.05974	100.0
137.09483	2.0
137.13254	1.9
138.06346	2.8
147.08078	2.4
147.11674	6.7
149.09634	2.7
149.13264	1.9
151.03926	2.1
151.07535	5.6
161.05946	5.9
161.09589	5.8
161.13278	3.0
163.11151	3.3
165.09167	2.6
167.07025	54.7
168.07364	1.9
173.05963	2.1
175.11156	4.2
175.14911	2.0
181.05032	2.0
181.08598	3.6
189.12766	2.5
193.08640	2.5
203.17982	6.3
204.13841	4.0
213.16467	2.5
231.17442	5.6
249.18483	6.4
277.17947	63.0
278.18323	4.3
295.18964	11.3
351.12244	2.4
351.21646	34.0
352.21942	5.1
369.13165	10.3
369.28912	2.0
387.15289	3.7
387.21136	6.4
387.30054	2.5
388.21283	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2532
Annotation	Bufalin
Peak:m/z	Relative Intensity
51.02383	1.2
53.03955	1.2
55.01873	2.2
55.05512	12.3
56.96563	2.9
59.04974	0.8
63.78862	0.8
64.15998	0.6
65.03944	1.7
66.51170	0.7
67.05505	15.0
69.07070	10.9
69.18031	0.6
69.22189	0.6
71.04999	2.5
71.08642	0.9
72.48531	0.6
73.06562	0.6
77.03951	1.2
79.05033	1.4
79.05492	20.1
81.03403	0.8
81.07052	17.8
81.61591	0.7
83.04973	2.0
83.08617	7.7
85.06557	2.2
91.05478	25.0
93.07037	14.6
95.04959	6.5
95.08603	10.8
97.06512	2.0
97.10172	1.9
99.08128	1.2
101.05976	0.7
103.05482	2.1
105.03384	1.9
105.04501	1.8
105.07027	20.9
106.07325	0.8
107.04968	2.5
107.08597	5.3
109.06527	2.5
109.10160	2.6
111.08111	2.0
111.42228	0.6
113.06049	0.7
115.05429	3.5
116.06240	1.2
117.07018	26.7
118.07392	1.4
119.04951	1.9
119.08579	7.8
121.06511	2.9
121.10110	3.2
123.04419	1.6
123.08064	2.0
123.11622	0.6
125.09678	1.2
128.06219	5.1
129.07013	23.2
130.07791	2.0
131.04912	2.2
131.08565	38.3
133.06500	6.1
133.10135	4.9
135.04413	76.1
135.08052	2.1
135.11681	2.4
136.04813	2.9
137.05998	2.3
137.09633	1.5
138.06723	0.9
141.06987	6.8
142.07799	2.7
143.08553	20.0
144.09319	1.5
145.06503	4.9
145.10130	14.0
147.08046	3.8
147.11681	2.1
148.05156	4.2
149.05951	1.9
149.09624	2.4
149.13216	1.1
151.03900	0.8
151.07579	2.9
151.11140	1.1
154.07745	1.1
155.08557	11.6
156.09433	1.0
157.06514	2.4
157.10133	11.4
158.10785	0.7
159.08049	2.1
159.11713	7.4
161.05992	3.8
161.09628	1.6
163.07487	3.8
163.11198	1.9
165.05498	0.9
165.06937	1.2
165.09106	0.9
166.06261	5.4
166.07680	1.2
167.07112	1.2
167.08507	6.0
168.09305	1.3
169.10107	8.2
171.08086	2.2
171.11673	6.9
173.06049	0.9
173.09663	1.6
173.13240	2.3
175.07600	1.9
175.11182	1.8
176.08321	2.4
177.09085	2.1
177.12773	1.7
179.07118	1.2
179.08621	1.7
181.08627	30.1
181.10117	6.9
182.09055	0.7
182.10822	1.1
183.11694	4.4
185.09689	1.3
185.13287	3.9
186.06642	0.8
187.07545	1.7
187.11198	1.2
187.14771	0.9
188.08496	0.7
189.09154	1.8
190.09982	0.7
191.10718	0.8
192.07761	1.0
193.08652	2.0
193.10252	1.7
193.12257	0.9
195.10130	1.8
195.11737	4.1
197.09534	0.9
197.13226	3.9
199.11177	1.1
199.14838	2.4
201.09097	2.6
201.12799	1.1
204.13855	2.9
205.12239	1.4
207.10161	4.4
207.11824	1.2
209.13306	4.3
211.11229	0.8
211.14841	2.8
213.12726	2.5
213.16409	1.4
215.14374	1.0
219.13831	1.0
221.11549	0.7
221.13297	4.0
223.14798	5.5
225.12723	1.8
225.16383	1.7
227.14345	1.6
231.13907	1.3
233.11745	2.4
233.15407	1.2
235.14980	3.9
239.14346	3.3
241.15898	2.1
243.13942	1.5
245.15417	2.9
253.11211	1.1
253.15843	2.5
255.17424	1.1
257.15305	3.3
259.17007	3.8
261.18643	1.0
265.15488	0.8
267.17441	1.1
269.15549	0.9
271.16992	4.1
273.18738	0.9
275.16440	1.0
277.21597	0.7
283.17004	0.8
285.18503	1.7
305.22705	1.0
315.20795	1.4
323.23691	2.1
329.14304	1.5
333.22150	8.2
338.15103	1.5
341.24707	3.8
347.15274	8.8
351.23132	28.7
352.23544	2.1
354.14645	6.3
355.15158	1.5
359.25986	0.9
365.16422	5.2
369.17163	6.4
369.24231	26.2
370.17139	1.6
370.24673	2.2
387.25287	100.0
388.21063	3.2
388.25681	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01868	2.6
57.03422	4.8
61.02925	2.2
66.08179	0.8
69.03429	41.9
69.03806	2.1
69.61446	3.2
71.01328	0.9
71.04984	9.2
73.02909	2.0
78.81203	0.8
79.05482	1.1
81.03413	31.9
83.01333	2.7
85.02902	49.4
86.03241	1.7
87.00826	30.6
87.04472	3.8
95.04961	1.1
96.96234	0.9
97.02891	67.8
98.23450	2.1
99.04453	27.6
101.02383	2.2
105.01858	21.7
105.07034	8.1
109.02880	9.7
109.06492	1.3
115.03893	2.1
116.10812	1.0
127.03910	100.0
128.04247	2.4
129.05603	0.9
145.04955	67.9
146.05350	1.2
166.02361	0.8
171.02875	2.2
175.07375	0.9
204.13782	1.2
213.03847	4.3
231.04987	63.0
232.05217	1.4
249.06047	36.1
266.08679	1.9
320.19925	1.0
388.21448	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
55.01881	6.7
57.03439	6.8
61.02919	6.7
68.99798	2.9
69.03445	35.2
69.31174	11.9
71.04987	2.7
73.02921	7.2
81.03428	22.6
85.02913	100.0
87.00844	42.4
97.02899	29.4
99.04457	17.5
105.01879	71.4
105.07029	11.7
108.04478	3.0
109.02882	35.2
127.03924	80.9
128.04294	5.0
145.04990	43.6
159.02927	11.8
167.07108	2.9
177.03886	2.9
189.03934	5.2
213.04018	5.4
231.04993	30.4
248.07675	3.4
249.06038	11.8
388.16098	4.6
388.21130	4.4
402.16748	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1755
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
51.73580	0.3
55.01865	0.5
55.05497	0.5
55.31206	0.4
57.03431	0.5
67.05521	0.5
69.03426	1.4
69.07063	0.6
79.05488	1.0
81.03427	0.4
81.07037	1.1
84.08133	0.4
85.02879	1.9
88.78376	0.4
91.05488	0.9
93.07027	1.1
95.04948	0.5
95.08578	0.8
97.06548	0.6
103.05459	0.6
105.01894	0.8
105.07025	3.9
106.07357	0.4
107.04939	0.9
107.08583	1.5
109.06502	0.5
115.43287	0.4
119.08555	0.6
120.05716	0.6
121.06495	0.5
121.10126	1.3
123.04405	0.4
124.04026	0.3
127.03900	0.9
131.04945	0.5
133.06508	0.6
133.10112	0.6
135.08044	0.6
135.11678	0.4
137.05975	1.1
145.04875	0.6
147.04355	0.4
151.07509	3.0
151.11168	1.4
159.08061	0.5
161.05885	0.4
162.05527	0.4
163.07533	0.9
166.06281	0.5
167.07054	2.3
173.05948	0.5
176.07150	0.5
177.09145	0.9
181.05002	0.6
181.08607	3.1
183.10194	0.8
189.09195	0.4
191.07053	0.8
191.10735	0.4
191.14304	1.4
192.06538	0.7
192.20155	0.4
193.08577	1.3
195.10181	0.7
196.09702	0.6
204.13815	0.9
206.08093	0.6
209.15364	2.6
210.14906	2.1
220.09709	1.9
226.68190	0.4
228.15967	1.9
246.16982	4.5
248.13995	0.4
266.08188	0.4
268.09653	0.5
269.10510	0.8
278.11942	0.3
279.08917	0.9
280.09695	1.5
284.12842	0.5
294.07660	0.9
296.09177	0.5
297.09894	1.6
298.10938	0.6
298.14252	0.5
307.08566	0.7
308.09259	1.8
309.09851	1.1
310.07181	0.8
310.10580	0.5
311.08066	0.8
311.11511	1.9
312.08829	0.9
312.12256	1.1
314.10568	0.6
324.08661	1.0
325.09460	2.9
326.06711	0.5
326.10260	1.5
327.14645	0.9
328.08188	2.5
328.11545	0.7
330.13400	0.8
339.11026	4.0
340.11792	8.9
341.08954	1.1
341.12531	0.8
342.09753	6.2
342.13437	0.6
343.10461	3.1
343.14090	0.7
354.13345	1.1
355.14188	4.0
356.11270	1.7
356.15106	0.7
357.12027	3.1
358.12830	20.8
359.13144	1.5
363.19485	0.4
370.26172	0.8
372.14398	25.7
373.15152	19.1
374.15552	1.2
388.17511	100.0
389.17868	9.2
389.22501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.6
57.03432	3.2
65.36952	2.7
67.05501	4.1
69.03428	18.1
69.07069	3.4
69.67165	2.6
70.82767	3.2
79.05492	7.6
81.03419	10.9
81.07067	5.6
83.04981	7.2
85.02895	35.7
87.00832	12.7
93.07040	5.5
95.04995	2.9
95.08601	11.4
97.02899	13.2
97.06541	4.2
99.04437	5.1
102.09220	2.6
105.01851	16.1
105.07029	100.0
105.07743	4.8
106.07343	3.1
107.04922	3.4
107.08589	17.5
109.02896	8.9
109.06535	3.4
109.10132	8.1
119.08598	8.5
121.10155	11.2
125.09625	5.8
127.03891	21.5
131.04909	5.0
131.08580	3.4
133.10118	6.9
135.08051	7.2
137.06036	4.1
137.09540	4.1
138.12868	2.9
139.11227	3.3
145.04947	11.4
147.11700	3.3
149.09613	4.6
149.13283	7.8
151.07500	4.2
151.11172	32.4
153.09111	3.2
159.02962	6.0
162.12796	2.8
163.07510	3.1
163.14824	6.2
165.12682	2.8
173.13318	3.9
181.04953	3.3
185.44070	3.3
187.07507	3.6
191.14296	44.9
200.43498	3.0
204.13844	14.6
209.15358	77.4
210.15639	4.0
213.09146	3.3
227.47897	2.8
231.05025	6.2
280.14865	2.6
340.11832	4.0
358.12912	9.3
370.25797	4.4
372.14383	10.9
373.15408	5.7
388.17239	38.6
388.22101	17.6
389.17789	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50552	0.5
55.01862	1.1
55.05503	2.2
56.05034	3.1
56.82407	0.6
57.07069	0.9
58.06588	2.2
59.86017	0.6
60.04533	0.8
62.05830	0.7
62.06096	8.1
66.85841	0.6
67.05509	4.6
68.05031	0.8
69.03396	1.0
69.07077	3.3
69.75957	0.6
70.06576	2.2
71.04967	2.9
72.04513	6.2
72.08142	0.9
74.06071	1.7
79.05481	4.3
80.05019	2.0
81.07058	7.3
82.06587	2.0
83.04977	0.8
84.08138	0.8
85.02896	1.7
85.06515	1.2
86.06068	2.1
91.05472	3.0
93.07036	4.4
94.06577	1.1
94.62437	0.6
95.04943	1.5
95.08591	4.1
96.04493	0.7
96.08123	1.2
97.10159	0.8
98.06056	5.3
100.03986	0.7
100.07603	2.0
105.07051	3.2
107.04938	1.6
107.08592	4.7
108.08111	0.6
109.06515	15.1
109.10160	4.3
110.06839	0.7
111.08086	0.7
112.07596	1.3
114.05501	1.1
119.08547	2.2
119.82762	0.6
121.06490	1.1
121.10120	1.9
123.08071	2.0
123.11648	0.9
128.07091	0.8
129.06944	0.9
131.04915	1.3
131.08583	4.2
133.10112	7.9
135.08060	5.9
137.06001	3.4
138.12729	1.3
138.77226	0.6
139.11118	0.6
145.10080	1.4
147.11646	0.9
149.09602	1.3
151.03886	1.0
151.07556	2.5
153.09038	0.7
158.10828	0.9
162.12735	1.0
163.07568	1.4
166.12294	1.1
167.06995	2.7
167.10623	1.1
172.13365	0.8
173.13257	5.2
173.16550	0.6
174.13353	0.6
177.05463	0.9
177.09180	0.8
180.13684	0.7
181.04973	2.4
181.08598	0.9
182.15385	2.9
191.06944	0.8
191.14305	15.8
192.13724	1.2
204.13832	3.0
209.08177	1.0
209.15352	9.7
210.14882	37.7
211.15204	1.7
216.15912	2.1
228.15935	46.0
229.16264	1.8
246.17001	100.0
247.17305	4.1
291.19498	3.6
340.12381	0.9
352.24918	0.9
358.13065	1.7
370.25867	17.2
371.26151	1.8
373.15063	1.5
388.17133	5.4
388.21317	5.7
388.26871	24.7
389.16663	0.7
389.27304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01872	1.4
55.05509	2.9
56.05033	2.4
57.03439	3.6
58.06603	2.2
62.06083	8.3
65.03937	1.1
67.05504	5.2
67.69120	0.8
68.99780	1.2
69.03426	5.5
69.07072	3.0
69.24742	3.6
70.06596	2.7
71.04981	2.4
72.04516	7.0
74.06075	1.6
79.05487	7.4
80.05018	3.3
80.55355	0.8
81.03414	5.6
81.07065	11.3
82.06571	2.6
83.04964	1.5
83.08590	0.9
84.08091	0.9
85.02907	7.9
85.05312	1.3
86.06076	2.1
88.07631	1.2
91.05481	29.3
92.05827	1.4
93.07067	4.6
94.06553	1.2
95.04996	1.1
95.08620	4.6
96.08116	1.5
97.02895	8.2
97.06554	1.7
98.06069	5.4
99.04453	2.3
100.07617	1.9
101.02374	19.2
104.07122	1.4
105.07029	2.5
107.08603	3.5
108.04525	1.3
109.02877	5.9
109.06509	2.0
109.10159	1.8
112.07594	2.2
114.05526	1.9
114.09171	0.9
117.07005	1.3
119.03417	43.9
119.08559	2.2
121.06490	0.8
121.10142	2.5
123.08096	1.5
127.03916	11.4
131.03419	1.1
131.04955	1.3
131.08601	1.7
133.06529	1.0
133.10138	1.2
137.05969	4.6
138.06371	0.9
138.12822	1.9
139.11320	1.0
142.96228	0.8
145.04990	3.4
145.06519	1.0
149.09676	1.1
151.03864	1.0
151.07600	1.0
154.12296	1.4
161.04373	0.9
162.12759	1.0
166.12277	1.1
167.07042	2.0
167.10648	1.0
172.13351	1.2
173.04491	2.6
181.04878	1.3
182.15373	4.9
191.14308	1.5
192.13828	1.7
202.14389	1.0
204.13892	5.3
209.94153	0.9
210.12895	1.9
210.14899	40.8
211.15276	1.5
214.36858	0.8
216.16026	1.5
227.05423	1.2
228.15948	46.9
229.16249	1.4
245.06551	3.7
246.17004	100.0
247.17354	4.2
263.07529	1.1
291.19458	6.2
294.67047	0.9
336.28757	0.9
352.24854	1.6
370.21307	1.6
370.25873	24.5
371.14572	0.8
371.26279	1.7
372.14224	1.4
376.16379	0.9
388.17429	2.0
388.21246	8.4
388.26758	15.9
389.26932	1.4
402.59579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75771	0.5
53.58466	0.4
55.01872	3.0
55.05513	2.6
56.05035	3.5
56.65053	0.4
58.06593	1.6
62.06091	8.4
65.03934	0.9
67.05507	3.8
68.05027	0.7
69.03428	2.3
69.07072	3.7
69.21233	3.2
69.49068	0.5
70.06599	1.6
71.04981	2.5
72.04514	6.1
72.08190	0.5
73.02192	0.5
74.06074	1.9
79.05489	4.8
80.05016	2.4
81.03413	0.6
81.07057	8.6
82.06568	2.7
82.07351	0.4
83.04995	1.2
83.08666	0.6
84.04511	1.2
84.08147	1.2
85.02933	1.3
85.05308	1.2
86.06052	1.1
87.00849	0.5
88.07647	0.7
91.05478	2.3
93.07043	5.1
94.06565	0.7
95.04974	1.2
95.08622	3.8
96.08163	0.8
97.10158	1.0
98.06049	5.7
99.04415	0.5
100.03952	0.7
100.07642	2.7
100.11320	0.7
100.98005	0.4
102.47459	0.5
103.05459	1.4
105.01831	0.7
105.07034	1.9
107.04982	2.2
107.08601	4.0
109.06535	1.1
109.10127	0.8
109.86733	0.4
111.08107	0.8
112.07607	2.2
114.05549	0.9
114.09129	0.8
117.07055	0.9
117.23708	0.4
118.21178	0.4
119.08587	1.7
121.06514	1.1
121.10138	2.8
123.04463	1.2
123.08091	1.3
125.09651	1.9
127.03893	0.6
128.07117	0.7
129.07008	0.6
131.04941	2.2
131.08583	2.1
133.10150	1.4
135.04440	0.6
135.08035	1.0
136.11180	0.6
137.05960	4.3
138.12746	1.0
145.04929	0.7
146.07201	0.6
147.04352	0.6
147.08127	0.5
147.11702	1.1
149.05914	0.9
149.09628	1.7
151.03960	0.6
151.07536	6.3
151.11147	0.7
153.05438	0.6
153.09065	0.6
154.12325	0.7
157.06491	0.9
159.04320	0.5
161.05859	0.5
162.12808	0.9
163.07581	1.9
164.14380	0.6
165.09171	0.9
166.12247	1.0
167.07030	6.0
167.10783	1.1
168.13948	0.7
172.13359	1.9
173.13258	0.6
174.06749	0.9
175.07552	1.3
176.14456	0.5
177.05482	2.0
177.09084	2.3
180.13870	0.5
181.04948	6.0
181.08600	0.7
182.15392	4.2
183.06546	0.7
184.13252	0.6
189.09096	1.4
191.07050	1.3
191.14297	2.5
192.13843	1.9
193.08667	0.6
204.13760	2.7
209.08083	3.5
209.15355	3.2
210.14890	37.8
211.15135	1.2
214.09503	0.7
216.15924	0.9
217.03798	0.5
219.10107	1.6
228.15945	46.2
229.16229	1.9
246.17006	100.0
247.17310	3.7
249.09100	0.7
252.16170	0.6
260.16638	0.8
274.11600	1.0
275.12970	0.7
277.08557	0.9
291.19574	3.7
302.11179	1.0
309.10959	0.7
312.13043	1.8
324.25211	0.8
326.11115	1.0
339.11841	1.5
340.12363	1.8
342.09521	0.9
352.25082	1.0
355.13831	0.7
356.15732	0.7
358.13190	3.8
370.25891	22.7
371.14850	1.8
371.26129	1.5
372.14325	2.4
373.15207	2.9
388.17276	12.0
388.21521	3.4
388.26837	23.0
389.15668	3.1
389.27209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05978	0.3
52.66738	0.3
53.03936	0.3
55.01857	1.3
55.05283	0.4
55.05510	2.9
56.05040	3.0
58.06588	1.0
60.04518	0.4
62.06090	8.2
65.03935	0.4
65.73569	0.3
67.05512	3.8
68.05014	0.7
69.03408	1.1
69.07069	2.7
69.48063	0.6
69.48457	0.9
70.02926	0.6
70.06573	1.3
71.05006	1.8
72.04520	6.2
72.08140	1.0
72.87302	0.4
74.06049	1.5
79.05495	4.7
80.05007	1.3
81.03422	0.6
81.07059	8.1
82.06589	1.7
83.05005	0.8
83.08598	1.1
84.04498	0.5
84.08125	1.3
85.02897	1.3
85.05277	1.2
86.06073	1.9
86.94392	0.3
87.46317	0.3
88.07607	0.7
91.05489	1.8
93.07050	4.6
93.39977	0.3
94.06548	1.3
95.04951	0.9
95.08617	3.9
96.08108	0.9
97.02887	0.4
97.06514	1.0
97.10152	1.0
98.05478	0.4
98.06049	5.1
98.23492	0.4
99.04398	0.6
100.03968	0.9
100.07604	2.9
103.05448	0.8
104.06127	0.4
105.04520	0.3
105.07047	2.0
107.04980	1.7
107.08597	2.6
108.08089	0.5
109.06509	0.8
109.10132	1.4
110.09676	0.5
111.08025	0.8
112.07584	1.5
114.05500	1.0
114.09086	0.5
117.06976	0.5
119.08554	1.2
120.08072	0.5
121.06496	0.5
121.10149	2.2
122.09662	0.4
123.04437	0.8
123.08047	1.1
123.11720	0.7
124.01886	0.3
124.07570	0.3
125.06012	0.3
125.09614	1.0
126.09106	0.5
128.07040	0.8
129.06946	0.5
131.04927	2.0
131.08557	1.1
133.10129	1.5
135.04462	0.4
135.08011	0.5
137.05940	1.4
137.09589	0.7
138.12778	0.8
139.11205	0.7
145.06514	0.4
145.10114	0.5
146.07262	0.4
147.08049	0.4
147.11642	0.5
148.11168	0.6
149.09598	1.1
151.03912	1.1
151.07552	7.0
153.05467	0.4
154.12227	1.1
163.07524	2.0
164.14363	0.5
165.09106	0.4
166.12263	1.0
167.07051	5.2
167.10701	1.1
172.13341	2.4
175.07446	0.5
177.05508	0.6
177.09114	2.0
180.13736	0.5
181.04921	1.8
182.15421	4.0
183.06567	0.5
189.09081	0.4
191.06931	1.7
191.14317	1.2
192.13808	2.1
200.16319	0.4
204.13873	0.7
209.08093	1.0
209.15359	1.3
210.14893	38.7
211.15222	2.0
228.15955	44.7
229.16229	2.2
244.19107	0.8
246.17012	100.0
247.17332	3.7
248.92848	0.4
252.15935	0.6
269.86740	0.4
271.57303	0.4
291.19525	3.9
312.13254	0.5
340.12665	0.4
352.24997	1.1
358.13626	1.4
370.25891	23.0
371.14771	0.6
371.26135	1.0
388.21921	1.2
388.26926	23.1
389.15811	0.7
389.27310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2845
Annotation	Myxalamid C
Peak:m/z	Relative Intensity
50.93151	0.5
55.05513	4.1
67.05209	0.6
67.05527	2.3
69.07061	5.7
69.07388	0.5
69.68574	0.7
69.68926	1.4
69.99377	0.5
75.06098	0.5
78.19759	0.5
79.05537	1.2
81.07047	3.5
83.08649	1.3
86.02591	0.5
91.05499	1.0
93.07056	1.1
95.08610	3.1
97.10200	1.2
98.22746	1.1
109.10181	1.6
119.08611	0.8
130.06584	2.0
131.07306	8.0
131.08290	0.6
132.08192	0.9
133.10144	0.6
135.04491	0.5
143.07300	2.6
144.08076	3.9
145.08911	2.2
146.09756	0.7
155.07288	0.6
156.08151	2.3
157.08934	2.4
158.09619	3.0
159.10440	2.0
160.11205	24.8
161.11815	0.8
168.08150	0.9
169.08879	1.5
170.09665	4.0
171.10464	2.3
172.11201	20.6
173.11980	8.2
174.12813	3.8
176.10774	0.8
182.09717	0.9
183.10411	0.7
184.11168	3.8
185.11948	3.6
186.12743	7.6
187.13428	1.0
188.14372	1.1
196.11279	1.5
197.11981	1.1
198.12770	11.6
199.13509	1.8
200.14313	5.9
201.14964	0.7
204.13916	2.0
210.12785	1.3
212.14325	10.7
213.14986	1.8
214.15877	7.3
224.14243	0.7
226.15887	12.4
227.16525	2.2
228.17467	3.6
240.17421	3.1
242.19019	1.4
254.18893	1.2
256.20627	2.0
260.16278	0.7
266.18951	0.5
272.19943	0.6
282.18448	1.0
282.22128	0.8
284.20090	9.6
285.20459	0.6
286.17969	0.6
288.19675	0.5
296.20169	1.3
298.17914	1.9
298.21454	1.1
300.19556	1.4
302.21127	11.7
303.21451	0.8
312.19601	1.6
314.21127	2.1
316.22903	0.7
324.26749	1.2
326.21204	1.0
328.22803	1.1
340.22699	1.2
352.26273	10.1
352.53299	0.7
353.26773	1.3
368.25833	1.8
370.27386	100.0
371.27783	9.4
388.08765	12.9
388.21417	2.9
388.28412	80.3
389.09116	1.3
389.16464	0.8
389.23209	0.8
389.28674	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82689	4.2
55.05516	24.6
57.03415	5.5
57.07065	7.2
59.04992	4.3
67.01393	3.4
67.05502	58.1
69.03420	7.2
69.07062	24.3
70.06580	4.9
71.05000	5.5
71.08631	42.4
71.46758	5.0
78.18542	4.0
79.05489	39.5
81.07056	81.9
83.04958	4.5
83.08593	17.3
89.05984	5.0
91.05495	38.4
93.07037	46.3
95.04935	5.4
95.08031	4.1
95.08609	55.9
97.06509	5.6
97.10172	8.1
99.08101	21.9
101.70922	4.0
105.07021	42.7
107.08620	26.5
109.06528	5.8
109.10153	20.6
117.07011	16.3
119.08530	19.4
121.10184	22.9
123.11707	9.8
129.06992	6.4
131.08574	27.8
133.10118	14.3
135.08060	4.0
135.11679	11.6
137.13225	6.0
138.12752	5.2
143.08571	5.6
145.10101	15.5
147.08006	5.6
147.11693	19.7
149.13219	9.6
157.10095	4.4
159.11612	9.1
161.13275	10.2
163.14816	9.7
164.58400	4.7
165.12726	7.6
166.50729	3.8
173.11841	4.1
173.13239	11.0
187.14909	6.7
191.14406	6.0
204.13838	38.4
229.14311	15.4
243.21092	15.3
247.17154	5.3
255.19403	6.0
260.16501	8.4
260.94730	4.1
261.22116	27.5
273.18427	4.6
279.23132	35.3
300.71786	4.5
353.26953	61.9
354.27173	7.2
371.25772	21.2
388.21225	68.3
389.22116	11.7
389.26733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
55.01873	38.7
55.05494	4.1
56.05016	2.6
57.03430	1.5
57.07051	1.2
58.06594	1.7
60.04515	1.7
62.06073	6.0
65.03942	9.9
67.05505	12.0
69.03413	4.2
69.07047	4.0
69.42171	6.5
70.06583	3.2
71.04975	3.1
72.04519	4.5
74.06065	1.6
76.03979	1.4
79.05486	10.6
80.05006	1.5
81.03401	2.2
81.07035	6.1
82.04164	3.4
82.07345	1.3
83.04984	3.2
83.08587	2.1
85.02906	7.7
91.05489	8.4
93.03377	2.5
93.07005	6.2
94.74413	1.4
95.04966	10.0
95.08572	5.1
97.02885	1.5
97.06505	6.4
98.06034	3.4
99.04443	2.1
100.07618	1.6
100.11263	2.1
103.05473	19.4
105.06993	4.1
107.04959	14.4
107.08540	4.4
108.02035	1.6
109.06502	3.2
110.03634	3.9
111.04411	2.4
115.05398	3.0
117.03378	1.3
117.06999	3.1
119.04932	2.5
119.08533	3.2
120.01229	1.6
121.06448	7.9
122.03612	3.3
123.04411	6.1
123.08036	1.4
123.11679	2.6
124.05149	1.7
125.05926	4.7
125.09519	1.6
129.07024	11.2
131.03973	1.6
131.04926	22.0
131.08543	4.7
133.06511	1.8
135.04367	1.7
135.08064	4.9
137.04942	2.7
137.05971	47.1
138.03082	2.7
138.06369	1.8
139.03844	1.8
140.04681	1.6
141.06947	2.8
142.02446	1.8
145.06438	6.0
145.10107	1.5
147.04364	1.8
147.08076	2.1
149.06003	10.1
151.03885	4.7
151.07539	7.6
153.05457	7.8
154.12218	1.8
155.07004	1.7
157.06453	11.0
158.07187	2.7
159.04379	2.6
159.08073	1.6
160.05170	2.9
161.05881	4.2
163.07544	15.4
165.05388	1.9
165.06845	1.4
167.07034	31.9
171.06494	7.3
173.05920	1.7
174.06758	8.0
175.07538	18.3
177.05475	34.4
177.09045	3.2
178.05818	1.8
181.04956	100.0
182.05261	3.9
183.06505	5.2
186.06734	1.9
187.07463	5.6
188.08212	1.4
189.09109	20.5
191.07039	7.0
191.08537	1.8
192.13843	1.9
195.53401	1.4
198.14847	1.6
199.07491	3.0
201.09033	4.8
205.08539	3.4
209.08084	63.0
210.08440	2.7
210.14911	14.8
211.15215	9.5
216.15952	8.0
217.06514	2.4
217.08530	8.6
217.16229	6.4
218.07169	4.0
219.08052	3.5
219.10083	20.9
228.15991	15.6
229.16275	10.3
234.06705	5.0
235.07375	2.8
235.09612	2.7
236.07979	1.5
237.61507	1.5
245.09244	1.6
246.06725	2.8
246.17027	35.0
247.07423	2.7
247.14983	2.3
247.17337	30.3
248.08287	1.9
249.09062	8.7
251.10577	1.8
261.09113	8.7
262.06229	1.4
263.06915	2.1
264.07739	1.5
265.08536	1.6
277.08575	16.1
278.09189	5.6
279.09866	3.2
281.11655	2.4
285.07538	3.1
289.08392	3.1
291.10001	4.1
292.19864	1.9
293.08151	1.9
293.11478	2.8
300.09702	3.0
307.09668	1.7
309.11255	7.1
311.12610	3.9
315.13287	4.8
321.11157	5.5
327.11938	1.8
329.13834	3.3
339.12296	17.6
340.12436	3.2
341.13663	3.2
346.16476	3.1
353.13867	3.0
359.14401	2.5
370.25711	4.3
371.14862	20.5
371.25998	10.4
372.15137	1.9
374.15570	1.6
388.26816	3.4
389.15826	59.9
389.21350	3.2
389.26929	12.1
390.16202	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
50.00895	1.4
55.01868	40.2
55.05494	2.5
65.03940	8.7
67.05499	4.3
69.03427	2.6
79.05491	7.2
81.03425	1.7
81.07051	3.3
82.04210	4.0
85.02913	7.9
86.06050	1.8
91.05495	5.5
93.03400	2.2
93.07023	3.5
94.04203	1.9
95.04980	8.9
97.06538	2.7
103.05453	16.1
104.07078	3.9
105.07018	4.0
107.04954	11.7
107.08614	2.5
109.10144	2.1
110.03681	3.2
111.04449	3.3
115.05441	1.9
115.62320	1.7
117.07032	2.3
121.06512	4.7
122.03624	4.6
123.04401	8.4
125.05984	3.4
129.07031	10.9
131.04918	24.0
131.08554	1.9
133.06485	3.3
135.04387	4.0
135.08041	2.9
137.05969	43.7
138.03122	2.4
138.06354	1.8
142.03914	1.6
145.06485	5.0
149.05995	13.0
151.07590	10.1
153.05469	8.4
155.07037	2.8
157.06476	12.0
159.08093	2.2
160.05231	4.3
161.05972	11.2
162.06772	1.8
163.07530	11.2
167.07030	28.4
171.06528	10.3
174.06798	5.6
174.14803	1.7
175.07552	16.3
177.05457	36.8
177.09122	2.7
179.06961	2.2
181.04951	100.0
181.08540	3.2
182.05289	3.7
183.06578	5.6
186.06889	1.7
187.07547	1.9
188.08212	1.9
189.09081	15.2
191.08556	1.8
201.09160	4.6
203.07040	6.3
204.13921	1.6
205.06514	1.7
205.08586	3.4
209.08070	54.3
209.10048	3.1
210.14827	4.1
217.06607	2.5
217.08444	8.1
218.07268	2.0
219.08154	3.1
219.10095	9.8
221.05975	3.8
221.08003	2.9
225.09145	3.4
228.15898	3.0
234.06750	3.9
235.07500	3.1
235.09680	3.8
246.06766	2.7
246.17061	7.5
247.07465	2.1
249.09163	5.8
253.08698	3.5
261.09201	4.9
262.06345	1.9
265.08636	3.0
267.10056	2.1
277.08536	12.6
278.09189	2.7
279.09946	3.1
285.11197	7.8
291.10416	2.3
293.08215	2.0
293.11572	3.6
294.09048	1.7
295.09793	3.0
306.09113	1.9
309.11215	5.7
321.11206	4.2
327.12308	10.1
329.13773	4.0
339.12329	17.9
340.12888	1.7
341.13779	3.2
353.13824	2.7
357.13379	1.7
359.14932	2.6
371.15005	17.6
372.27499	2.4
389.15988	43.1
389.21039	5.6
390.16156	7.0
390.22690	1.9
390.27802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1781
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
70.36975	0.3
70.54899	0.5
80.53922	0.3
86.09699	0.5
134.87334	0.3
227.12552	0.7
227.72003	0.3
389.17795	100.0
390.18115	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01855	2.7
55.05505	3.7
57.03446	1.7
57.07066	4.8
62.12619	1.5
67.05502	20.2
68.72884	1.5
69.03444	2.0
69.07051	3.0
69.18794	10.2
71.04988	14.4
72.08178	1.7
79.05489	20.6
81.07042	7.1
83.01353	1.5
83.04985	6.7
85.02900	5.5
85.06542	100.0
86.09683	2.9
89.06024	4.9
90.06378	2.1
91.05473	13.4
93.07045	18.4
93.15137	1.5
95.04976	6.9
97.02855	1.7
97.06523	3.1
99.08098	4.1
103.05460	2.6
105.07014	13.5
107.04948	31.1
107.08598	21.0
108.08883	1.5
109.02915	1.4
109.06525	4.6
109.10166	1.5
111.04453	8.3
117.07014	4.3
119.08578	17.4
120.08896	2.4
121.06503	10.8
121.10143	14.2
122.10564	1.5
123.04485	1.6
123.08079	3.2
125.05981	4.0
127.03899	2.0
129.07024	7.3
131.04912	1.9
131.08565	58.3
132.08926	2.4
133.08601	4.3
133.10112	3.3
135.04391	1.8
135.08035	2.3
135.11703	4.1
137.09612	5.1
145.10123	28.0
147.08064	5.0
147.11668	1.8
149.05951	3.6
149.09612	54.5
150.10017	2.6
153.05420	2.9
155.07042	2.7
161.09393	1.8
163.07516	4.6
163.11171	21.5
165.09084	10.6
167.07019	2.5
167.10677	29.3
167.12022	2.6
173.09659	5.7
179.10768	2.7
191.10663	70.2
191.12407	3.6
192.11124	2.8
192.14667	4.1
209.11714	87.0
210.12059	4.3
227.12776	91.3
228.13092	4.5
371.22107	1.6
384.38638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05508	6.4
55.44225	1.4
57.03429	2.9
57.07072	4.2
61.07398	1.7
65.03919	2.1
67.05500	22.2
69.03418	3.6
69.07052	4.8
70.06565	3.6
70.07280	1.3
71.04991	14.0
71.46471	1.5
72.08154	12.0
74.06040	2.5
76.02219	1.5
79.05489	26.6
81.03405	2.2
81.07045	7.0
81.64790	1.7
83.04974	5.2
84.04518	2.0
85.02897	6.5
85.06539	100.0
86.06873	3.2
86.09698	8.9
89.06099	1.6
91.05476	20.0
93.07038	18.2
95.04951	7.4
95.08595	3.4
97.02885	2.9
97.06528	4.4
98.71051	1.5
99.08083	2.8
105.07030	14.5
107.04944	28.8
107.08588	23.2
109.06493	3.6
109.10152	1.8
111.04433	14.2
111.05599	1.7
112.89780	1.3
117.01355	1.4
117.07008	5.5
118.08590	1.9
119.08570	16.0
120.08110	5.1
121.06496	12.8
121.10121	17.1
123.08079	2.9
125.05979	3.9
129.06964	8.7
129.10236	3.1
130.07787	2.2
131.04868	1.7
131.08559	62.1
132.10220	1.7
133.06459	2.4
133.10191	1.6
135.08081	2.3
135.11696	5.3
137.05949	5.1
137.09619	7.1
138.55394	1.5
141.05423	1.6
143.07024	1.9
143.08540	1.8
145.06410	1.8
145.10115	25.4
147.08028	11.9
147.11674	2.1
149.05975	3.1
149.09608	53.1
150.09976	2.1
153.05432	3.0
155.06949	1.8
163.07603	3.0
163.11180	19.8
165.09061	12.7
167.07053	4.4
167.10658	30.7
173.09641	5.9
191.10648	61.9
192.10924	3.4
193.08543	4.5
197.11752	1.6
199.57504	1.6
209.11713	84.2
210.12035	5.7
210.58888	1.5
211.09660	1.7
227.12762	80.7
228.13147	3.4
258.14474	3.0
273.85376	1.7
329.14325	2.8
353.20767	1.9
389.17343	15.2
389.22638	2.8
390.21674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1955
Annotation	Aristelegin B
Peak:m/z	Relative Intensity
50.01587	0.2
51.02378	0.2
53.03949	0.2
55.01867	0.4
65.03943	0.5
66.04718	0.3
67.05494	0.3
67.91624	0.1
77.03896	0.6
78.04700	2.2
79.05486	4.0
80.06266	0.9
80.09955	0.1
81.07046	0.5
86.06061	0.2
89.03922	0.1
90.04696	0.8
91.05474	4.4
92.06261	0.3
93.03400	0.2
93.07037	0.5
94.04185	0.5
95.04959	1.5
95.08588	0.3
96.05753	0.2
103.05457	7.9
104.07089	0.1
105.03394	0.6
105.04514	0.7
105.07025	2.3
106.04172	2.1
107.04944	13.3
108.05748	3.7
109.02847	0.1
109.06524	0.9
111.08128	0.2
115.05444	2.1
116.06233	0.3
117.07007	1.7
118.04150	0.6
119.04930	0.5
119.06081	0.3
119.08542	0.4
120.05724	0.2
121.06506	3.1
122.03648	0.8
123.04427	4.7
123.08058	0.7
124.05215	1.9
125.06001	0.3
128.06175	0.5
129.06984	0.7
130.04123	0.2
131.04916	9.8
131.08534	0.4
132.05682	0.4
133.06473	2.0
134.03607	0.6
134.07239	0.3
135.04404	3.0
135.05473	0.2
135.08040	2.8
136.05188	3.6
137.05965	3.8
138.06689	0.3
139.07541	0.3
140.04648	0.2
141.06972	0.6
143.04898	0.4
143.06023	0.2
143.08540	0.3
144.05693	0.6
145.06487	2.0
146.07260	6.0
147.04395	0.7
147.08044	1.9
148.05159	0.2
149.04758	0.2
149.05949	1.7
149.09598	0.5
150.06752	2.1
151.07527	100.0
152.04684	1.4
152.07870	3.4
153.05489	0.8
155.06038	0.2
156.05707	0.2
157.06488	0.7
158.07207	1.0
159.04335	0.2
159.08008	1.0
160.05159	0.3
160.08798	0.7
161.05959	1.7
161.09628	0.3
162.06717	1.0
163.07526	20.5
164.07889	0.9
165.09105	7.2
166.06166	0.1
166.09462	0.4
167.07021	54.6
168.07367	1.5
169.06412	0.3
171.08025	0.5
172.05179	0.3
172.08835	0.5
173.05939	0.6
173.09589	0.6
174.06802	0.9
175.07498	2.0
176.08305	1.0
177.09091	26.0
178.09395	1.0
179.07008	0.5
179.10672	1.3
180.07808	0.2
181.08585	0.9
181.76903	0.2
183.06503	0.4
186.06731	0.4
186.10376	0.4
187.07492	1.4
188.08284	1.0
189.09088	3.2
190.09578	0.2
191.06978	0.4
191.10634	1.9
193.08578	1.9
195.10129	0.3
201.09079	2.6
202.09833	0.6
203.10628	1.8
205.08481	0.3
207.10114	0.6
210.14821	0.3
215.10614	0.3
217.12225	1.4
219.10187	1.3
221.11687	0.4
228.15897	0.2
232.08658	0.2
233.09538	0.4
233.11700	0.7
237.11092	0.2
246.17000	0.6
247.11171	0.3
248.11876	0.3
249.09041	0.3
261.08957	0.3
264.11490	0.2
275.10587	0.5
276.11270	0.4
277.08624	0.2
277.11984	0.2
279.13638	0.5
292.10806	0.2
293.11581	0.5
307.13248	1.5
308.13879	0.9
309.14450	0.2
324.13382	0.4
339.15866	5.4
340.16263	0.5
355.18771	0.2
356.12561	0.2
356.16129	1.9
371.14175	0.3
371.18491	3.5
372.18771	0.2
389.19727	0.5
390.22818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1961
Annotation	Aristelegin B
Peak:m/z	Relative Intensity
50.01603	0.1
51.02378	0.2
53.03953	0.1
55.01882	0.3
63.02382	0.1
63.37621	0.1
65.03925	0.4
66.04735	0.2
66.05766	0.1
67.05507	0.4
68.02611	0.1
69.03409	0.1
69.28869	0.4
74.21836	0.1
74.97112	0.1
77.03905	0.6
78.04706	2.1
79.05492	4.3
80.06269	0.7
81.03436	0.1
81.07072	0.5
83.05024	0.1
85.02902	0.1
89.03931	0.1
90.04697	0.8
91.05483	4.6
93.03424	0.1
93.07049	0.7
94.04182	0.4
95.04968	1.6
95.08592	0.2
96.05778	0.3
97.06510	0.1
103.05469	8.3
104.05762	0.1
105.03394	0.7
105.04517	0.6
105.07032	2.3
106.04172	2.2
106.07428	0.1
107.04956	13.8
108.05767	3.9
109.06538	1.1
111.08063	0.1
115.05446	1.9
116.06241	0.2
117.07017	1.8
118.04146	0.5
119.04959	0.6
119.06077	0.3
119.08545	0.4
120.05714	0.3
121.06516	3.3
122.03648	0.8
122.07288	0.2
122.09666	1.3
123.04430	4.7
123.08080	0.9
124.05224	2.3
125.05975	0.5
128.06224	0.2
129.07022	0.5
130.07779	0.2
131.04930	10.5
131.08603	0.3
132.05814	0.5
133.06491	2.0
134.03648	0.6
134.07260	0.2
135.04411	2.5
135.08060	2.9
136.05205	3.2
136.08406	0.1
137.05984	4.5
138.03151	0.2
138.06798	0.4
139.07533	0.3
141.07005	0.7
143.04921	0.5
143.06001	0.2
143.08574	0.2
144.05719	0.6
145.06493	2.0
145.07433	0.1
146.07275	5.5
147.04396	0.6
147.08070	1.7
148.08856	0.1
149.05992	1.8
149.09592	0.4
150.03134	0.1
150.06763	1.9
150.09151	0.2
151.07542	100.0
152.04675	1.5
152.07884	2.8
153.05467	1.0
153.06737	0.1
155.06056	0.2
157.06487	0.7
158.07263	1.1
159.04393	0.1
159.08022	0.8
160.05231	0.4
160.08841	0.6
161.05991	1.9
161.09615	0.4
162.06757	1.0
163.07542	23.7
164.07982	1.0
165.05487	0.2
165.09119	9.0
166.06233	0.1
166.09492	0.3
167.07034	62.0
168.07358	1.9
169.06485	0.2
171.04518	0.1
171.08081	0.4
172.05211	0.2
172.08827	0.4
173.05986	0.7
173.09615	0.2
174.06735	0.8
175.07544	2.2
175.09061	0.1
176.08345	0.8
177.09106	30.1
178.09453	1.2
179.07007	0.7
179.10651	1.3
180.07875	0.2
181.08617	0.9
185.09734	0.1
186.06779	0.3
186.10443	0.4
187.07539	1.7
188.08308	0.8
189.09108	3.0
190.09775	0.3
191.06993	0.2
191.10664	2.3
192.07794	0.3
192.11038	0.2
193.08588	2.4
195.10187	0.3
200.08282	0.2
201.09102	2.4
202.09897	0.7
203.10683	2.1
204.07780	0.1
204.11018	0.1
205.08618	0.2
205.12231	0.1
207.10097	0.6
215.08832	0.2
215.10631	0.5
217.08783	0.1
217.12238	1.8
219.08144	0.2
219.10153	1.2
221.09720	0.1
221.11575	0.4
231.08031	0.1
233.09586	0.3
233.11723	0.8
237.11247	0.1
239.10738	0.1
247.11192	0.2
248.11919	0.4
249.09029	0.2
261.09082	0.3
263.07016	0.1
263.10510	0.1
264.11493	0.2
265.12079	0.1
275.10568	0.4
276.11313	0.4
277.08716	0.1
277.12125	0.2
279.13684	0.4
289.12253	0.2
292.10901	0.3
293.11713	0.4
307.13266	1.7
308.14053	1.2
309.11374	0.2
309.14523	0.1
311.12918	0.1
311.16495	0.1
324.13284	0.2
339.15906	6.2
340.16388	0.6
356.16147	2.2
356.78186	0.1
357.16629	0.2
361.17599	0.2
371.18536	3.9
372.18774	0.3
389.14398	0.1
389.19415	0.5
390.19128	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1962
Annotation	Aristelegin B
Peak:m/z	Relative Intensity
51.02391	0.2
52.03166	0.1
52.91742	0.1
53.03956	0.2
55.01875	0.3
55.05527	0.1
56.15968	0.1
56.96550	0.1
65.03966	0.5
66.04729	0.4
67.05511	0.4
71.05000	0.1
77.03880	0.6
78.04715	2.0
78.05132	0.2
79.05492	3.6
79.78045	0.1
80.06276	0.9
81.03444	0.1
81.07054	0.6
84.05540	0.1
89.92453	0.1
90.04684	0.8
91.05479	4.5
92.05798	0.2
92.06309	0.1
93.03371	0.1
93.07051	0.5
94.04211	0.3
95.04970	1.5
95.08605	0.2
97.06538	0.2
102.04668	0.1
103.05467	8.9
104.00101	0.1
105.03393	0.6
105.04543	0.4
105.07031	2.5
106.04171	1.7
107.04958	13.2
107.08596	0.1
108.05763	3.6
109.06536	0.8
111.08059	0.2
112.83167	0.1
114.81185	0.1
115.05438	1.9
116.06230	0.2
117.07017	2.1
118.04173	0.5
119.04953	0.5
119.06068	0.3
119.08588	0.4
120.05674	0.3
121.06507	3.3
122.03677	0.8
123.04437	3.8
123.08053	0.9
124.05215	2.5
124.06074	0.2
125.05997	0.5
128.06235	0.4
129.07004	0.6
130.04077	0.2
131.04930	10.8
131.08551	0.3
132.05698	0.5
133.06490	2.1
134.03641	0.5
134.07272	0.3
135.04422	2.5
135.08054	2.8
136.05206	3.5
137.05991	4.2
138.03084	0.1
138.06779	0.3
139.07526	0.1
141.06982	0.7
143.04950	0.6
143.05978	0.1
143.08572	0.2
144.05725	0.6
145.06496	2.4
145.10121	0.1
146.07272	5.8
147.04393	0.6
147.08080	1.7
148.05165	0.2
149.05981	2.1
149.09628	0.4
150.06752	1.8
151.07545	100.0
152.04688	1.6
152.07874	3.4
153.05499	1.1
153.06746	0.2
154.06212	0.1
155.06062	0.2
155.08502	0.2
157.06491	0.4
158.07281	1.1
159.04335	0.1
159.08090	0.8
160.05196	0.3
160.08827	0.6
161.05989	2.0
161.09622	0.2
162.06754	1.4
163.07545	23.0
164.07939	0.9
165.09119	7.7
166.06242	0.2
166.09413	0.3
167.07036	51.7
168.07382	1.7
169.06441	0.3
171.08051	0.3
172.05232	0.2
172.08830	0.5
173.06009	0.6
173.09624	0.3
174.06729	0.7
175.07552	1.9
176.08325	1.1
177.09108	30.3
178.09457	1.0
179.07043	0.5
179.10660	1.3
180.07687	0.1
181.08618	0.8
184.08882	0.1
185.06029	0.2
186.06715	0.2
186.10399	0.3
187.07527	1.4
188.08342	0.8
189.09087	2.5
191.10674	2.1
192.07860	0.2
192.11029	0.2
193.08611	1.9
195.10153	0.2
201.07372	0.2
201.09128	2.1
202.09775	0.7
203.10641	1.7
205.08553	0.3
207.10178	0.3
215.08778	0.1
215.10716	0.3
217.01973	0.1
217.12230	1.7
219.10144	1.2
221.09618	0.2
221.11642	0.3
231.08089	0.1
232.08936	0.2
233.09521	0.4
233.11726	0.8
245.09639	0.2
247.11180	0.3
248.12003	0.3
249.09200	0.1
261.09079	0.3
264.11362	0.1
265.12228	0.2
275.10605	0.3
276.11365	0.3
277.08578	0.2
279.13702	0.5
289.12213	0.1
292.10822	0.2
293.11633	0.3
298.97235	0.1
307.13284	1.4
308.14050	1.1
309.11282	0.1
309.14474	0.2
311.16473	0.2
324.13626	0.3
339.15912	4.8
340.16229	0.4
356.16150	2.2
357.16129	0.2
371.18512	3.2
372.18771	0.3
389.19638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.5
55.05523	17.3
55.53838	6.5
57.03427	8.8
58.06604	11.4
58.99585	9.7
65.03916	7.4
65.36665	7.9
67.05508	23.4
69.03426	27.2
69.07066	19.9
69.67093	25.8
70.06590	13.9
71.05000	11.4
76.02233	38.4
79.05493	26.0
81.03402	33.9
81.04533	10.6
81.07040	44.1
82.73692	7.2
83.04987	19.1
83.08627	15.8
84.04517	7.6
84.08147	12.8
85.02910	40.5
85.06545	10.6
86.09718	31.5
91.05475	63.1
93.07034	50.0
93.31598	6.3
95.04977	25.6
95.06089	8.1
95.08617	40.2
97.02898	20.0
97.06531	16.2
98.09719	9.9
99.08096	22.2
105.07027	34.1
107.04970	22.4
107.08568	64.7
108.08991	6.7
109.06516	29.8
109.10178	22.8
111.05547	8.0
111.08044	7.2
116.01663	15.7
119.08607	33.5
120.08154	7.8
121.06525	20.3
121.10139	60.1
123.08096	25.2
123.11735	8.2
125.06005	11.6
127.03903	12.0
129.07011	8.8
131.04948	16.4
131.08546	32.9
132.10245	6.6
133.10123	42.5
134.10489	7.0
135.08052	26.8
135.11700	14.4
137.05968	22.3
137.09598	12.9
139.11211	17.2
141.06618	11.4
143.08574	9.4
144.01176	8.1
145.04936	7.9
145.10115	16.0
147.08025	10.1
147.11711	34.6
149.09634	65.0
149.13243	35.2
150.10017	10.5
151.03926	15.5
151.11200	21.3
153.05455	6.7
162.02228	20.5
163.14861	31.9
165.09175	10.2
165.12880	10.9
167.06992	10.8
167.10626	7.2
173.13281	65.1
179.04852	45.4
181.05006	8.3
191.14296	95.7
193.12282	21.1
197.11806	8.4
205.14209	10.2
209.12083	8.8
209.15396	100.0
211.13272	38.4
233.28464	7.1
246.10530	7.4
353.20737	12.0
371.15912	14.7
371.21448	18.1
389.13452	13.1
389.17813	10.3
389.21719	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Glochidionionoside B
Peak:m/z	Relative Intensity
55.01872	12.5
55.05523	17.3
55.53838	6.5
57.03427	8.8
58.06604	11.4
58.99585	9.7
65.03916	7.4
65.36665	7.9
67.05508	23.4
69.03426	27.2
69.07066	19.9
69.67093	25.8
70.06590	13.9
71.05000	11.4
76.02233	38.4
79.05493	26.0
81.03402	33.9
81.04533	10.6
81.07040	44.1
82.73692	7.2
83.04987	19.1
83.08627	15.8
84.04517	7.6
84.08147	12.8
85.02910	40.5
85.06545	10.6
86.09718	31.5
91.05475	63.1
93.07034	50.0
93.31598	6.3
95.04977	25.6
95.06089	8.1
95.08617	40.2
97.02898	20.0
97.06531	16.2
98.09719	9.9
99.08096	22.2
105.07027	34.1
107.04970	22.4
107.08568	64.7
108.08991	6.7
109.06516	29.8
109.10178	22.8
111.05547	8.0
111.08044	7.2
116.01663	15.7
119.08607	33.5
120.08154	7.8
121.06525	20.3
121.10139	60.1
123.08096	25.2
123.11735	8.2
125.06005	11.6
127.03903	12.0
129.07011	8.8
131.04948	16.4
131.08546	32.9
132.10245	6.6
133.10123	42.5
134.10489	7.0
135.08052	26.8
135.11700	14.4
137.05968	22.3
137.09598	12.9
139.11211	17.2
141.06618	11.4
143.08574	9.4
144.01176	8.1
145.04936	7.9
145.10115	16.0
147.08025	10.1
147.11711	34.6
149.09634	65.0
149.13243	35.2
150.10017	10.5
151.03926	15.5
151.11200	21.3
153.05455	6.7
162.02228	20.5
163.14861	31.9
165.09175	10.2
165.12880	10.9
167.06992	10.8
167.10626	7.2
173.13281	65.1
179.04852	45.4
181.05006	8.3
191.14296	95.7
193.12282	21.1
197.11806	8.4
205.14209	10.2
209.12083	8.8
209.15396	100.0
211.13272	38.4
233.28464	7.1
246.10530	7.4
353.20737	12.0
371.15912	14.7
371.21448	18.1
389.13452	13.1
389.17813	10.3
389.21719	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01872	9.3
55.05522	8.7
55.59758	4.2
56.22548	3.9
57.03437	6.5
57.07067	4.2
60.22761	3.8
66.52544	4.3
67.05503	15.5
69.03428	21.7
69.07060	11.7
69.42452	11.2
69.42864	9.3
70.06582	11.1
71.04988	15.1
78.04749	4.2
79.05489	19.0
81.03428	12.3
81.07053	14.5
83.05009	10.1
83.59912	4.1
84.08153	4.8
85.02906	25.3
85.06540	11.8
85.19414	4.8
86.09710	14.7
91.05475	24.6
93.07052	18.9
95.04972	14.7
95.08604	13.7
96.06880	5.5
97.02893	8.5
97.06557	6.4
99.04441	25.0
99.08076	4.2
103.05468	5.3
105.07020	24.7
106.07364	6.8
107.04961	10.8
107.08598	23.8
109.02882	12.4
109.06535	9.4
109.07615	8.8
109.10159	13.8
110.08423	12.3
111.04455	6.8
111.08072	4.9
111.09216	6.4
119.04939	9.2
119.08578	15.1
120.08081	4.4
121.06506	7.5
121.10135	23.7
123.04467	5.5
123.08096	5.7
123.09212	10.7
123.11694	5.2
126.05487	4.7
127.03900	7.7
129.07014	11.3
131.04950	10.5
131.08583	17.9
132.08904	5.9
133.02721	4.2
133.06503	4.8
133.10126	79.5
134.10564	5.0
135.08047	7.5
135.11705	13.2
136.05234	4.5
137.06015	9.2
137.09569	7.4
139.11200	4.8
144.05687	5.4
145.10182	9.3
146.05994	5.2
147.04373	4.7
147.08083	8.0
147.11713	12.1
149.09604	10.5
149.13246	11.0
150.09892	8.9
151.03912	9.6
151.07552	15.2
151.11134	9.0
159.08018	5.2
159.44986	4.3
161.05989	15.7
162.06656	6.4
163.14857	13.1
165.09074	6.2
166.08470	4.0
167.07043	100.0
167.10721	7.8
168.10986	6.9
169.12146	4.4
173.13234	29.3
175.07527	31.1
179.07030	16.3
181.04980	15.4
187.07564	8.9
188.07036	6.1
189.09119	7.3
191.08247	6.2
191.10677	8.3
191.14326	39.4
192.10970	8.0
192.14682	4.8
193.08542	5.2
205.06567	5.0
209.11708	6.9
209.15393	43.6
210.12134	9.6
210.15709	4.2
218.15622	5.5
219.10237	11.7
227.12970	6.0
227.16400	48.9
269.08136	6.7
276.12888	4.8
288.07825	5.1
307.12814	6.6
318.14056	6.7
336.15240	10.0
346.25006	46.4
354.16135	8.0
372.17462	4.9
389.17194	7.5
389.21863	19.6
400.78842	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56344	0.3
67.17493	0.4
69.71508	1.1
69.71894	0.6
70.06599	0.4
75.69056	0.4
93.07032	0.4
95.26393	0.3
95.90488	0.4
98.22887	1.0
119.08613	0.5
125.04202	0.4
128.95490	0.3
135.04399	0.5
151.07571	1.4
328.32016	0.8
349.16617	0.4
378.95612	0.3
389.22989	100.0
390.23285	8.5
390.35748	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.4
57.03291	0.2
61.56594	0.3
67.05499	0.5
68.19899	0.2
75.53876	0.2
81.07043	0.6
91.05456	0.3
93.07069	0.4
98.23071	1.8
111.48496	0.3
114.91547	0.4
141.60538	0.3
151.07553	0.7
151.11179	0.5
179.58987	0.3
200.96246	0.2
205.85904	0.3
242.89961	0.3
323.19000	0.6
328.32010	0.3
349.16934	0.9
366.16690	0.3
367.17932	0.9
371.25543	7.1
372.25995	0.3
389.26660	100.0
390.22070	0.6
390.26984	10.6
390.35199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.3
69.54615	1.3
89.39878	0.3
98.23479	0.5
98.49982	0.3
105.07031	0.3
128.16475	0.3
149.12564	0.3
151.07512	0.4
160.07861	0.4
206.99179	0.3
257.97437	0.3
294.30875	0.3
328.32010	0.4
349.16812	0.9
367.18076	0.7
371.18719	0.3
371.25522	3.0
372.25732	0.5
389.26605	100.0
390.26938	9.2
390.35596	1.2
391.14127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03942	1.4
55.01865	1.2
57.03434	1.0
62.57151	0.5
67.05500	1.1
69.03429	0.9
70.03788	1.1
70.06584	0.8
71.04996	0.8
73.02915	0.8
74.06042	0.6
77.03925	1.6
79.05488	2.2
80.60309	0.5
81.03403	0.9
81.07068	0.6
83.37834	0.4
84.04506	1.1
85.02904	4.6
86.09730	0.9
86.84723	0.4
91.05474	1.0
91.31334	0.5
93.07085	0.5
95.01337	2.5
95.04971	4.2
95.08608	1.3
96.08955	0.6
97.02878	0.7
97.06536	1.1
98.06030	0.6
101.66558	0.5
103.05518	0.9
105.03391	100.0
105.07022	1.8
106.03738	3.6
107.04950	0.7
107.08588	0.7
113.02384	2.0
118.08643	0.6
119.08553	0.6
120.08121	0.8
121.06472	0.5
121.33051	0.5
122.02744	1.1
123.04444	4.5
123.09215	0.5
125.06078	0.6
125.09636	0.6
131.03401	0.7
133.10115	1.1
137.05984	2.4
141.01819	6.4
145.02927	0.5
149.02364	1.4
149.09615	0.9
151.07552	0.5
151.11189	0.9
153.05428	0.9
159.02884	1.5
161.05966	0.8
167.07022	3.5
177.05508	2.1
178.05800	0.7
179.07025	30.9
180.07430	1.2
181.04979	3.2
182.05295	1.0
193.08574	0.7
193.12309	1.0
197.08087	34.1
198.08376	1.3
199.03644	0.6
209.08046	1.1
210.08443	1.6
211.13333	2.0
250.68605	0.5
290.04660	0.6
358.18555	0.7
372.15054	0.8
388.36066	0.5
390.11398	1.0
390.16107	2.0
390.20984	5.0
391.20706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01853	3.3
55.05515	0.9
69.03423	2.6
70.00352	2.8
70.06581	2.0
72.08144	1.4
79.05502	5.0
81.03408	2.9
81.07014	1.1
82.41938	0.9
84.08133	1.7
85.02908	8.7
86.09701	2.3
89.03831	0.9
91.05486	2.1
93.07063	1.2
97.02882	4.4
99.04424	1.1
101.02370	3.2
103.05459	5.1
105.07025	52.1
106.02858	1.0
106.07368	1.3
107.04934	7.7
109.02893	2.1
114.05531	1.6
115.05448	10.1
116.07052	2.1
118.04163	3.7
119.03419	8.9
120.08008	1.3
127.03903	4.5
131.04932	1.9
133.02841	1.9
133.06485	46.3
134.06793	1.4
137.05920	1.5
143.05998	5.9
145.02840	2.9
145.04958	3.3
149.02390	1.8
149.06010	1.5
161.05969	100.0
162.06305	4.4
162.07532	1.1
173.04494	1.0
177.05482	5.3
180.08672	2.1
193.04941	4.1
193.08594	76.3
194.08916	3.5
211.05930	1.4
211.09570	1.5
236.16455	2.1
273.47244	1.0
378.75906	1.0
390.08206	1.5
390.16269	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89267	1.2
54.46896	1.4
55.01867	3.3
57.03418	1.3
61.02925	2.6
64.02924	1.5
69.03435	3.3
69.51786	5.3
70.29416	1.5
79.05485	6.1
81.03381	1.7
85.02901	12.6
86.09708	2.3
90.44434	1.3
91.05489	6.6
97.02892	3.2
98.23406	2.6
103.05465	5.9
105.07029	56.1
105.07741	2.8
106.07381	1.6
107.04991	2.2
109.06505	1.6
115.05448	8.1
118.04206	3.7
119.04940	6.6
123.94798	1.4
125.29124	1.2
127.03943	1.7
131.04938	1.5
133.06485	51.0
137.05972	2.0
143.04999	2.0
143.06055	7.0
145.02847	1.8
145.04932	1.5
146.35045	1.5
147.04408	2.0
149.02295	2.0
149.05948	3.7
151.03923	4.8
151.07550	3.6
153.05504	3.7
161.05975	100.0
162.06345	2.2
165.09035	2.0
166.45647	1.3
167.06975	3.1
168.07794	2.4
177.05510	1.7
180.08682	3.7
193.04950	2.4
193.08591	60.5
194.09048	1.5
197.03053	1.6
211.09619	13.2
390.17990	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	35.5
67.05494	1.9
69.50389	1.4
69.50719	5.9
71.95261	2.6
79.05499	10.7
80.94878	1.7
91.05469	3.6
97.96815	3.0
98.97585	3.5
107.08625	2.8
109.10130	3.0
110.97559	9.4
115.00661	2.0
119.63588	1.3
120.61763	1.4
128.98611	11.3
129.02229	2.2
133.10143	4.7
134.59204	1.3
141.02264	1.5
143.00233	2.9
146.99640	6.5
147.03250	1.7
151.00710	2.3
151.07513	3.3
152.00204	1.4
155.03845	2.4
161.01195	2.6
167.03914	2.3
171.03352	5.3
173.04875	4.1
173.11745	2.6
179.10696	2.5
183.03227	2.1
185.04813	4.1
189.04279	3.1
191.05772	1.7
197.04941	3.2
199.06454	10.3
203.05876	3.7
205.07536	4.4
210.01846	1.5
211.13261	3.0
213.07924	3.3
217.07413	7.1
223.02835	3.4
223.08556	2.5
225.04376	1.8
225.07912	2.1
227.05977	2.3
229.07463	1.8
239.09579	2.9
243.09059	17.2
246.04404	1.5
255.09041	3.9
261.10095	10.0
269.10733	1.7
277.11115	1.9
279.09045	4.5
280.09851	7.4
281.10641	2.3
297.10052	3.2
298.10913	3.9
331.09766	2.5
331.15814	76.6
332.16071	5.5
349.16882	100.0
350.17184	8.5
355.18466	3.2
362.10825	1.7
367.17969	33.5
368.18228	3.6
372.18582	12.0
373.18710	1.7
390.09225	2.9
390.19528	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59885	1.1
56.96569	72.4
67.29797	1.0
69.07069	1.3
70.42966	1.2
71.45827	1.5
71.95261	2.9
72.96030	2.3
74.97602	1.5
79.05468	1.2
97.96820	3.3
97.99209	1.2
98.23260	1.4
98.97611	2.7
105.00172	2.8
110.97569	7.8
115.00693	3.5
116.10020	1.1
119.01743	1.6
123.01201	2.2
124.99088	1.3
127.00711	2.5
128.98628	6.5
129.02264	1.5
131.00293	1.4
131.07333	1.3
137.02751	4.8
137.41212	1.3
139.00687	4.1
141.02222	1.9
145.01703	1.3
146.99660	2.8
147.03308	1.3
149.02518	1.5
151.00658	2.4
151.07582	2.4
152.00073	1.1
153.02235	6.3
155.03839	3.8
159.03307	2.5
160.11244	9.1
165.02351	1.5
167.03806	4.9
169.01726	1.8
169.05406	2.0
171.03285	15.2
172.11221	4.4
173.04866	2.5
174.12814	1.9
175.02812	1.6
177.05901	1.5
179.03847	1.3
181.01724	1.5
181.05269	2.5
183.03279	1.6
183.06943	1.8
185.04857	13.5
186.12724	3.1
187.06508	2.0
189.04347	6.5
193.05420	3.8
195.06953	3.2
197.04924	3.8
199.06427	17.9
200.14371	3.5
203.05911	13.0
205.07405	1.7
207.06956	2.5
209.04851	1.7
211.06430	9.0
213.08003	15.9
217.07483	16.5
221.08575	3.1
223.02650	1.4
223.06429	2.1
223.08437	1.7
225.08038	10.4
227.09557	7.0
228.17505	2.5
229.07524	4.5
231.06905	4.2
231.09061	13.1
235.06638	1.6
237.07979	8.4
237.10143	1.3
239.09541	7.3
241.11047	2.0
243.09099	5.0
245.10648	4.8
249.07971	9.4
251.09543	14.2
251.11943	1.4
253.11063	2.3
255.09055	47.0
256.09421	2.1
257.10516	3.9
259.12292	1.6
262.08777	1.8
263.09531	2.2
267.09045	64.9
268.09348	1.7
269.10617	83.7
270.11035	3.2
273.10080	21.7
273.12848	1.9
278.10687	4.6
279.08945	2.6
280.09744	1.7
285.10104	79.7
286.10532	3.6
287.11673	23.7
290.10776	5.3
291.12653	2.6
292.12247	9.2
296.11722	2.1
297.10114	1.6
303.11237	7.1
307.12268	1.5
308.11731	6.0
309.13876	2.6
310.12943	1.4
313.14966	1.7
323.18781	1.1
325.13516	1.3
331.15799	19.4
349.16873	55.8
350.17075	4.2
354.27954	3.7
355.18564	1.7
367.17947	100.0
368.18143	6.3
372.18436	3.6
372.28973	33.6
373.28976	1.7
385.18906	7.7
390.19382	11.5
390.30060	14.8
391.24469	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
55.22688	0.9
56.96560	22.9
57.07075	4.5
58.06591	2.3
67.05508	0.9
69.07068	1.2
69.80818	0.9
69.81145	2.2
70.06592	17.5
71.08630	2.1
72.08154	2.8
76.94132	0.7
80.94846	2.7
81.07054	1.7
83.08607	1.2
84.08128	2.1
85.10190	1.6
86.09697	3.3
88.07631	8.4
91.05433	1.1
93.29626	0.7
95.08607	0.8
97.35933	0.7
97.96805	1.6
98.23417	1.3
98.97564	3.6
102.09178	2.8
105.07026	1.0
107.08533	1.3
110.60059	0.8
110.97553	6.5
112.99172	1.4
114.09183	1.5
115.97852	1.0
116.98642	1.4
123.01178	1.1
128.98581	8.2
131.00169	1.4
132.10199	8.8
136.05260	0.8
139.00623	1.1
141.02209	0.7
143.00186	1.4
146.11760	8.3
146.99637	5.1
147.08038	0.9
149.02353	1.2
151.07521	8.3
152.00256	0.8
153.02225	3.8
157.01802	0.9
159.03333	1.7
167.03853	1.6
171.03284	9.4
175.02695	1.4
179.03845	0.9
183.03191	1.0
185.04857	8.3
189.04305	8.1
191.05873	1.1
191.17943	0.9
197.04874	1.6
199.06476	2.9
201.04344	1.2
203.05893	10.9
205.07545	1.5
207.06894	1.3
209.04784	1.0
211.06439	1.5
212.03709	0.8
213.07968	1.8
215.05852	1.0
217.05466	1.5
217.07474	2.9
221.04778	0.9
225.08034	3.0
226.04922	0.9
227.09552	6.9
229.07463	1.9
235.06425	1.4
237.04343	2.4
237.08032	1.4
239.09499	1.5
240.26813	1.3
243.09032	1.7
245.10616	8.3
251.05913	3.3
253.07468	1.7
255.09026	2.6
258.07837	1.0
261.07996	2.2
262.08759	3.8
263.09592	4.8
266.28458	1.5
267.09033	2.7
273.09958	1.3
279.09000	5.5
280.09775	5.5
281.10678	1.2
284.29413	12.4
285.10095	1.4
297.10059	2.8
297.76788	0.9
302.10681	0.9
313.14859	1.9
328.32077	35.1
331.15750	31.2
332.16248	2.5
349.16833	93.4
350.17209	7.7
354.17349	1.1
355.18781	4.1
367.17896	89.1
368.18231	6.3
372.18344	6.4
372.34418	0.9
385.18997	9.1
390.19244	17.9
390.26721	2.5
390.35736	100.0
391.19962	1.7
391.24536	26.7
391.35971	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
56.96285	1.5
56.96563	22.7
57.07073	4.2
58.06597	1.1
64.14291	0.7
66.81672	0.8
68.05019	0.8
69.07053	1.4
70.06586	13.2
71.95235	1.3
72.08138	1.7
80.94852	1.1
81.07058	1.2
84.08123	0.9
86.09700	2.6
88.07601	4.2
91.74216	0.9
97.96800	2.3
98.97584	3.7
102.09171	2.2
105.07005	0.8
107.04944	0.8
110.97567	6.6
112.99203	0.9
115.97830	0.8
116.98623	2.7
123.01164	0.9
128.98604	8.2
131.00084	0.7
132.10197	7.9
139.00624	1.8
141.02252	0.8
143.00223	1.0
146.11752	5.2
146.99632	3.6
149.01268	1.5
149.02408	1.3
151.07521	10.6
153.02200	2.3
155.03831	0.9
157.01706	1.5
161.01215	1.5
165.09114	1.4
167.03792	3.1
171.03267	12.0
175.02802	1.0
181.05350	1.1
183.03300	1.8
185.04846	10.1
187.02708	1.0
187.79715	0.9
189.04332	11.2
193.05391	0.8
196.42963	0.8
197.04865	2.7
199.06436	2.9
201.04343	1.0
203.05881	11.3
205.05325	1.7
205.07454	1.7
208.06197	0.9
209.04865	1.7
211.06371	2.3
213.07961	1.5
217.05467	1.5
217.07495	2.0
223.06366	1.8
223.08511	1.3
225.07990	3.6
226.05151	1.7
227.09546	9.0
229.07285	1.3
233.04855	1.3
237.04344	2.3
237.07898	1.1
238.05112	1.4
239.09409	2.1
240.26785	1.3
243.09090	1.6
244.67770	0.8
245.08455	1.2
245.10614	7.4
249.08096	1.0
250.05188	0.8
251.05925	3.3
251.09656	1.1
252.06641	0.9
253.07440	1.9
255.09064	2.7
257.10706	1.3
258.07779	1.2
261.08029	2.0
262.08856	4.6
262.11282	1.0
263.09610	4.9
267.09042	3.5
273.10464	1.1
279.09027	7.9
280.09729	6.4
281.10373	1.9
284.29443	7.6
285.10156	2.5
297.10040	1.9
307.15613	1.3
313.14764	3.1
328.32043	24.0
329.32455	1.2
331.15750	36.7
332.16107	2.8
344.30017	0.8
349.16833	100.0
350.17166	6.4
354.17728	0.9
355.18567	5.0
367.17905	87.9
368.18146	7.2
372.18402	6.7
372.29102	1.4
385.19025	7.3
390.19186	14.6
390.26642	2.5
390.35733	71.6
391.19952	1.8
391.24463	30.1
391.35632	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10013	0.8
55.05516	1.5
58.72800	0.9
67.05511	2.1
69.03449	2.3
69.07066	3.8
69.16285	1.8
69.16679	5.3
71.05000	2.4
79.05491	2.5
81.07063	9.1
83.08609	1.1
85.02914	7.8
86.94202	1.0
91.05488	2.8
93.07040	5.7
95.05019	1.1
95.08619	15.4
97.02885	2.6
97.10307	1.0
98.22705	2.1
99.08092	4.9
105.07027	10.2
107.08611	11.3
109.06524	1.2
109.10154	2.4
113.09693	1.0
119.08594	55.0
120.08890	1.1
121.10122	1.7
123.11721	4.5
131.08597	1.1
133.10139	82.0
134.10469	3.7
135.11703	21.9
137.06009	3.1
137.09633	2.1
145.04988	1.3
147.11702	2.3
149.02344	1.6
149.09540	1.2
149.13248	1.1
152.04289	1.1
160.77145	1.0
163.07483	1.5
167.07019	2.0
168.07303	1.0
175.14835	100.0
176.15144	5.0
181.05125	1.1
183.06598	1.3
189.09187	1.5
191.07066	1.9
193.12274	1.5
193.15907	22.7
211.16959	46.4
212.17270	2.3
227.19922	1.0
328.43237	1.2
346.16476	1.3
390.15598	1.6
390.22324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1751
Annotation	Flibanserin
Peak:m/z	Relative Intensity
51.02373	0.9
55.97169	0.6
65.70850	0.7
67.05505	0.8
68.43833	0.7
77.03937	2.0
78.04695	1.3
79.05502	6.9
81.07047	2.1
91.05479	3.0
93.07050	0.9
95.04956	3.5
103.05469	8.8
105.03384	1.9
105.04510	1.3
105.07030	5.4
106.04190	1.0
107.04967	4.3
109.06458	0.9
115.05474	2.0
117.07027	2.1
119.04946	1.2
119.08573	0.8
122.03604	1.0
123.04419	3.5
124.05215	2.3
125.05971	0.9
128.06207	2.1
129.07001	2.2
130.51492	0.7
131.04916	13.8
131.08568	1.0
133.06480	5.2
135.04410	100.0
135.08040	3.0
136.04726	4.4
137.05962	3.2
143.04913	1.0
143.08565	1.7
145.06490	2.3
147.04396	1.1
149.02376	5.0
149.05969	5.7
151.03868	0.7
151.07513	3.5
152.04608	0.9
157.06506	1.7
158.07243	0.8
159.08034	1.0
161.05971	15.3
162.06387	1.1
163.07536	18.5
167.07028	45.3
168.07495	3.3
169.08173	1.3
171.08093	1.7
171.73230	0.9
173.05965	2.6
175.07536	2.5
181.08553	2.5
185.05983	2.3
186.06638	1.1
187.07509	3.3
193.08603	3.6
201.09123	4.3
205.08492	1.1
219.10178	4.0
228.88132	0.8
233.09662	0.9
233.11661	1.6
237.11176	1.3
263.10629	0.9
283.30057	0.8
291.10114	1.6
293.11746	1.4
321.41568	0.8
323.12897	3.9
355.15277	4.8
391.21024	1.5
392.24274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1749
Annotation	5'-Methoxylariciresinol
Peak:m/z	Relative Intensity
55.01869	1.2
55.05504	1.1
57.07063	2.0
60.40363	0.9
65.03944	1.5
66.04726	1.8
67.05505	5.9
68.99780	1.6
69.03455	1.2
69.07065	1.7
69.41651	4.7
70.21201	0.8
71.08636	1.7
79.05504	5.8
81.07027	2.4
85.02895	1.9
91.05466	4.9
93.07082	1.4
94.04185	3.5
95.04956	10.2
97.06496	1.8
97.10132	0.9
97.87558	1.2
98.22682	1.8
101.65099	1.0
103.05479	2.7
105.03392	1.0
105.04523	1.1
105.07037	4.1
107.04951	3.9
107.08643	1.3
109.06509	1.5
115.05463	1.2
116.06245	1.0
117.07045	1.3
119.04987	1.8
121.02856	1.4
122.03651	12.3
123.04426	41.2
123.08012	1.1
125.05994	3.8
128.06239	3.0
129.07037	2.2
131.04921	6.2
131.08568	7.9
133.06519	2.4
135.04346	1.4
137.05972	91.2
138.06305	2.7
139.03909	2.4
140.04691	8.1
141.77795	0.9
143.08530	2.5
143.10658	1.1
144.05716	1.3
145.06490	3.1
147.04382	2.1
149.02332	14.2
149.05946	1.5
150.03157	1.0
151.03903	2.3
151.07536	5.5
153.05473	11.7
157.06454	2.3
159.08086	3.2
161.05997	3.4
163.07542	9.2
165.05516	2.1
165.09059	1.7
167.03365	1.6
167.07022	9.0
168.04167	8.3
169.06508	0.9
171.06628	1.4
171.08046	3.6
173.05908	2.0
174.06792	2.1
175.07524	6.0
177.09227	1.1
179.07008	5.8
183.06516	100.0
184.06877	2.9
187.07558	1.9
189.09062	5.3
191.07039	1.4
197.08101	1.9
199.03888	1.4
201.09148	3.1
203.08760	1.9
203.10654	21.8
205.06578	1.2
205.08627	1.2
210.14957	1.1
219.10059	1.6
228.15982	2.2
246.17004	5.1
247.17339	2.3
248.08180	1.3
249.09081	1.7
251.06342	1.0
263.10590	1.3
291.10092	2.7
309.11224	2.1
311.12622	1.5
341.13770	6.8
355.15240	2.0
373.16458	14.1
374.16971	1.5
391.16956	2.5
391.21512	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27386	1.0
55.05508	2.4
56.96573	5.1
57.07067	3.1
57.43453	1.1
66.44505	1.1
67.05495	2.1
69.07052	1.5
70.06595	8.7
70.53233	2.0
71.08626	3.4
72.08159	1.2
79.05486	1.0
81.07081	2.1
88.07617	3.5
91.05511	1.2
93.07047	1.3
95.08579	2.3
97.06530	1.3
98.91956	3.5
102.09165	2.6
105.07024	1.5
107.08549	1.9
109.06532	1.9
110.97589	1.4
119.08580	1.9
121.06509	1.6
128.98607	2.1
131.08545	1.2
132.10213	5.3
143.00250	1.1
146.11760	2.3
149.02324	6.0
151.07553	2.4
153.02173	1.0
165.12743	2.4
185.04860	3.4
199.06375	5.1
203.05923	3.2
211.06425	1.3
217.07500	4.4
223.02818	2.1
226.05008	1.3
237.04433	2.6
241.00699	1.0
267.09128	2.1
279.09140	1.2
280.09842	4.2
284.29520	6.4
285.29593	1.3
307.15771	1.8
317.24481	1.6
328.31985	10.1
329.32434	4.6
331.15747	26.7
331.19464	1.9
332.16193	3.0
349.16852	100.0
350.13321	2.2
350.17139	8.9
351.12827	1.9
351.17514	1.4
367.17892	3.4
368.18106	1.3
369.18143	1.2
372.18393	14.1
373.18787	1.9
373.27478	1.5
390.35730	37.2
391.11389	6.5
391.20673	4.7
391.24686	29.5
391.29282	2.3
391.35999	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66176	1.3
55.05486	5.4
57.03427	1.7
57.07062	1.4
63.03977	1.2
67.05497	7.0
69.07042	5.1
69.12045	1.3
71.08617	1.5
79.05470	5.6
81.07043	9.0
83.08595	3.9
88.07597	2.4
91.05418	3.4
93.07043	7.0
95.04967	3.8
95.08587	6.4
97.06510	3.0
105.07005	7.2
107.08585	6.5
108.77612	1.3
109.06503	3.3
109.10131	2.7
113.00008	2.9
117.07007	1.7
119.08578	7.1
121.06463	2.3
121.10107	2.9
129.06958	2.4
131.08528	5.3
133.10141	2.9
135.08002	2.1
135.11632	2.7
143.08548	2.9
145.10078	5.8
147.11674	2.8
149.02310	6.2
149.09578	2.4
157.10010	4.7
161.09561	2.2
169.02592	2.5
169.10068	1.4
171.11655	2.1
173.13153	1.5
183.11649	1.9
185.13210	1.9
193.10036	1.7
207.11551	1.7
221.13171	2.6
239.06857	2.0
249.16272	1.7
267.06543	22.1
289.25186	2.2
317.24854	9.2
331.15775	2.1
347.25949	2.2
349.16687	6.3
355.26602	1.8
373.23361	5.7
373.27509	2.3
390.35599	4.8
391.18732	9.1
391.24371	100.0
391.35699	4.9
392.24609	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
60.21796	0.3
64.59006	0.2
66.42504	0.2
67.05496	0.7
69.07066	1.4
69.66022	1.0
79.05497	0.3
81.07040	1.1
82.07387	0.2
83.08619	0.5
91.05468	0.9
93.07033	0.9
95.08592	1.0
97.06502	0.5
98.22688	0.6
105.07049	0.6
107.08562	0.4
109.10101	0.3
113.00018	3.4
117.07030	0.3
119.08582	0.7
119.11150	0.2
121.10120	0.6
129.07018	0.2
131.08580	0.3
133.10095	0.4
147.07948	0.3
149.02327	0.9
149.13124	0.3
155.08536	0.7
165.06935	0.4
168.05763	0.3
169.02600	3.6
172.21246	0.2
193.06454	0.4
197.05800	0.3
211.07536	5.8
212.07883	0.4
221.05983	0.4
239.07025	12.7
240.07324	1.0
249.78146	0.3
265.04953	0.7
267.06512	100.0
268.06863	6.2
279.06476	0.4
310.01260	0.2
323.12756	0.5
333.17334	0.7
335.12741	1.2
355.26401	0.5
373.27148	0.6
391.13861	0.3
391.18985	2.9
391.24432	2.1
391.28705	0.3
392.19217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	8-Geranylchrysin
Peak:m/z	Relative Intensity
57.07059	0.1
64.14096	0.1
65.06254	0.1
67.05488	0.2
69.07063	1.0
73.23691	0.1
75.83509	0.1
77.03963	0.1
77.63840	0.1
79.05488	0.1
80.82072	0.1
81.07039	0.3
83.08608	0.1
91.05470	0.3
93.07008	0.2
95.04937	0.1
95.08575	0.2
95.42808	0.1
97.06518	0.1
105.07036	0.2
107.08592	0.2
109.10134	0.1
113.00010	1.1
115.05457	0.1
119.08558	0.1
120.06657	0.1
121.02843	0.1
121.10145	0.1
123.11642	0.1
129.07062	0.1
131.08560	0.1
133.10095	0.1
137.13213	0.1
141.06978	0.1
143.08507	0.1
149.02303	0.2
152.06197	0.1
153.06927	0.2
154.07813	0.1
155.04926	0.1
155.08577	0.4
157.10144	0.1
165.07007	0.8
166.07660	0.1
168.05739	0.4
168.06868	0.1
169.02615	0.8
181.06494	0.1
183.08046	0.3
193.06488	0.2
194.07283	0.1
195.08031	0.1
196.05157	0.3
197.05966	0.3
199.03896	0.1
209.05939	0.3
210.06740	0.2
211.07527	6.4
212.07925	0.4
213.05516	0.1
217.04993	0.1
221.05859	0.5
223.07501	0.2
237.05525	0.2
238.06277	0.2
239.07016	14.6
240.07350	0.9
249.05457	0.1
255.06500	0.1
265.04984	0.6
266.05508	0.1
267.06503	100.0
268.06845	6.6
279.06512	0.7
323.12854	0.4
335.12747	0.8
336.13251	0.1
355.26184	0.1
373.27554	0.1
391.18961	3.0
391.24405	0.8
391.28754	0.1
392.19522	0.4
401.98453	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53845	1.6
56.05009	1.7
61.08421	1.3
67.05492	3.0
67.34078	1.4
68.97784	1.3
71.08597	1.5
79.05494	4.2
81.06564	1.6
81.07027	2.2
84.04520	1.8
85.02892	2.0
87.04452	1.7
91.05473	4.6
93.07024	2.3
95.04968	2.0
95.08628	1.8
97.06567	1.9
103.05461	2.3
105.07065	1.9
107.04950	6.6
107.08605	2.0
108.05776	2.5
118.06534	2.3
121.06508	2.5
122.03722	1.9
123.04459	5.0
124.33379	1.4
125.05967	1.6
130.05006	6.0
131.04878	2.7
133.06519	2.3
135.04420	4.0
136.05232	7.1
137.05005	2.2
137.05989	14.6
138.23894	1.3
140.84920	1.3
145.06470	1.6
146.07362	2.2
147.08104	2.4
149.02347	8.8
150.06808	1.9
151.07559	100.0
152.07881	21.2
153.08109	2.1
156.13826	1.5
159.08025	1.4
163.07518	4.8
164.08003	1.6
165.09146	8.8
166.09474	2.2
167.07080	4.5
168.07428	2.0
169.07552	2.2
171.08069	2.3
177.09090	9.5
178.09435	2.6
179.10573	1.5
183.06544	14.5
189.09085	4.5
191.10674	2.4
193.42273	1.7
201.08998	1.8
203.10612	5.9
210.14928	2.1
211.15349	2.1
214.81502	1.5
215.01514	1.4
217.12282	1.6
223.00485	1.4
228.16042	2.0
229.16260	4.8
230.15379	3.7
246.17035	5.1
247.17407	8.7
259.13104	2.0
262.18085	6.9
340.16751	8.6
341.17157	7.4
352.91022	1.4
355.18961	4.1
356.19348	7.2
373.27716	3.5
391.22278	8.8
391.28659	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31076	0.2
65.03925	0.3
69.43592	0.3
69.43993	0.6
77.03894	0.2
78.04689	0.2
78.72847	0.2
79.05500	1.0
80.06252	0.7
90.04716	0.8
91.05476	3.3
93.07061	0.3
94.04147	0.2
95.04956	0.7
98.22752	0.4
103.05478	0.7
105.03389	0.4
105.06989	0.5
106.04164	0.7
107.04947	6.0
108.05761	2.8
109.06525	0.5
112.03743	0.2
115.05444	0.4
117.07025	0.9
118.04147	0.6
119.08558	0.3
121.06503	1.3
123.08097	0.4
128.06259	0.2
129.07011	0.3
131.04924	1.4
133.06471	1.0
135.04411	2.6
135.08080	1.3
136.05196	6.4
137.05994	2.7
143.08569	0.2
145.06438	1.1
146.07285	1.4
147.08037	3.7
149.02330	0.4
149.05962	0.4
149.09543	0.2
150.06749	1.5
151.07535	100.0
152.07863	4.8
153.09091	0.2
157.06488	0.5
158.07259	0.3
159.08054	0.7
160.05206	0.2
160.08849	1.1
161.05981	0.6
161.09587	0.7
162.06731	0.6
163.07535	2.7
164.08252	0.7
165.09106	7.0
166.09543	0.5
171.08018	0.6
172.08722	0.3
173.06035	0.4
174.06717	0.5
175.07523	0.9
176.08305	0.8
177.09102	6.8
178.09674	0.4
179.10625	0.9
185.09755	0.2
186.10414	0.7
187.07532	0.7
188.08340	1.5
189.09090	1.9
191.10638	2.5
192.11093	0.2
201.09131	0.3
202.09866	1.0
203.10677	2.3
204.11073	0.2
205.12132	0.3
217.12210	3.8
218.12497	0.2
221.11772	0.3
223.09920	0.2
235.13417	0.2
284.49799	0.2
291.13858	0.2
309.14798	0.5
323.16513	0.6
340.16675	13.1
341.17032	1.5
355.19031	4.1
356.19412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	20.2
57.07088	4.2
58.06594	10.2
66.57065	1.8
69.03412	2.2
69.62300	7.0
70.06606	4.2
71.08647	5.2
74.06077	83.7
80.60316	1.8
84.04509	15.4
84.08160	2.4
84.19216	1.7
86.06091	2.8
86.09701	63.6
86.10220	3.1
96.57588	1.9
98.09686	2.6
98.22745	3.8
98.97589	6.2
100.96103	1.9
101.07137	26.0
102.05550	3.8
110.97569	1.9
116.98650	3.1
124.11243	3.1
126.09142	2.0
129.10245	3.6
135.60498	1.9
137.05962	2.1
142.12256	11.9
143.11838	8.5
149.02333	44.3
159.07640	14.0
167.03427	4.1
169.13391	2.9
177.08705	65.4
187.07117	2.9
187.14400	100.0
188.14694	2.8
215.13910	41.1
215.15875	3.4
216.14279	2.1
219.01962	2.0
237.02748	3.0
272.16068	5.9
288.11862	2.7
316.18652	8.7
349.07870	2.5
373.20831	22.1
374.21466	2.1
385.49567	2.0
391.15381	3.8
391.19708	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50107	0.4
55.52495	0.3
56.96560	1.1
57.07076	1.7
67.93805	0.3
70.06598	4.4
71.08617	0.7
72.08154	0.6
75.37661	0.3
84.08144	0.8
86.09707	0.7
88.07623	1.5
102.09180	0.7
132.10225	2.2
132.80638	0.4
146.11723	1.5
147.12070	0.5
149.02286	0.4
151.07532	0.4
165.84988	0.4
180.93246	0.4
185.04793	0.5
205.75293	0.4
255.08986	0.6
267.09103	1.0
269.10706	1.2
284.29474	1.6
285.10123	0.9
285.29779	1.6
321.16882	0.8
328.32071	5.2
329.32404	4.5
333.17139	0.4
351.18558	2.0
368.18127	1.0
369.19479	2.8
370.09503	0.4
390.35806	12.0
391.24567	100.0
391.35855	16.2
392.24945	6.2
392.36249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
58.42107	0.3
61.53302	0.3
69.23808	1.7
70.40887	0.3
72.51450	0.3
79.05418	0.3
80.94865	0.6
85.38931	0.3
87.54718	0.4
95.08631	0.4
98.22796	1.0
98.23446	0.6
104.21898	0.3
149.02347	0.8
151.07588	0.4
179.39656	0.3
240.40445	0.3
333.17310	0.5
350.17258	0.3
351.18469	0.4
373.12152	0.5
390.35812	0.4
391.24561	100.0
392.24872	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2845
Annotation	CHEMBL271172
Peak:m/z	Relative Intensity
50.01965	3.3
53.03954	5.9
55.01872	5.9
55.05512	35.6
57.03447	3.9
57.07076	5.1
65.03918	4.5
66.38021	2.9
67.05508	60.1
69.03425	3.1
69.07075	43.2
69.24260	7.7
69.24669	11.1
71.04997	7.4
71.08604	3.0
72.05583	3.3
79.05497	52.3
81.07058	90.6
83.05016	8.1
83.08610	18.7
86.09729	5.3
91.05482	54.8
93.07056	42.3
95.04967	17.1
95.08615	43.8
97.06559	7.5
97.10190	9.1
105.07034	50.7
106.07393	3.9
107.04985	6.9
107.08598	28.3
109.06535	11.1
109.10178	25.3
111.08043	6.4
117.07014	22.0
118.03155	4.5
119.08595	55.3
121.06510	6.8
121.10142	20.7
123.08078	8.3
123.11712	8.6
125.09644	7.2
128.06262	3.5
129.07024	13.2
131.08588	28.8
133.06514	9.8
133.10133	39.7
135.08096	7.2
135.11745	11.1
137.09601	10.8
139.11191	5.6
143.08568	12.2
145.10132	22.5
147.08066	6.4
147.11676	20.4
149.02377	12.1
149.09653	14.7
151.11182	3.9
155.01079	4.8
155.08609	3.9
157.10086	8.9
159.08034	5.0
159.11736	21.7
161.09633	6.0
161.13242	9.2
163.11218	8.3
165.12755	4.3
169.10167	6.5
171.08022	3.7
171.11734	11.5
173.09624	4.3
173.13286	6.4
174.27844	3.9
175.11200	10.8
175.14833	5.4
177.12746	5.9
183.11774	7.7
185.13249	9.2
187.11224	5.9
187.14870	5.5
189.12907	5.9
191.14279	5.0
197.13313	6.9
229.19534	6.0
239.17990	9.2
247.20738	5.7
257.19022	19.4
265.21671	4.9
271.20367	3.9
273.18613	3.5
275.20078	100.0
276.20416	5.1
280.10931	3.3
287.20047	5.3
291.19586	6.2
303.19540	6.8
308.25824	4.0
347.52686	3.3
355.26358	17.7
369.63089	3.4
373.27432	27.2
374.27142	3.9
391.19363	8.0
391.28113	12.4
392.27896	18.6
392.35266	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2843
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
55.01868	6.2
55.05516	22.7
56.96553	3.3
57.03430	5.6
57.07066	2.3
66.14136	1.9
67.04688	1.9
67.05499	36.5
69.03438	2.2
69.07071	37.7
69.22997	12.6
71.05003	2.9
79.05503	25.6
81.07061	79.1
83.04992	4.6
83.08638	11.9
85.06535	4.9
91.05486	28.3
93.07039	28.9
95.04991	10.1
95.08607	37.1
97.06532	10.6
97.10184	2.8
105.04518	2.2
105.07030	35.8
107.04972	2.5
107.08602	31.1
109.06518	31.4
109.10145	13.1
117.07053	5.7
117.09045	2.0
119.08577	28.8
121.06493	5.2
121.10150	21.9
123.08053	6.9
123.11720	17.5
125.09639	2.5
129.07040	4.7
131.08578	6.9
133.10115	12.3
135.08035	6.3
135.11687	7.6
143.08589	6.4
145.10124	9.4
147.07976	2.2
147.11684	30.2
149.02373	6.5
149.09642	3.7
157.10095	7.5
159.11705	8.6
161.09666	4.0
161.13251	4.0
163.11195	5.0
163.14830	10.6
165.12733	13.6
171.11740	3.2
173.13316	5.8
175.11206	2.9
177.12793	3.7
187.14838	2.4
195.12247	3.3
207.13992	2.4
215.14153	2.6
221.19188	2.7
226.61006	2.1
235.16751	2.3
258.27570	2.4
317.17810	7.8
327.26895	3.4
328.10831	4.2
329.24875	7.4
343.13342	12.2
345.27896	5.7
347.25806	53.8
348.26187	3.4
355.26392	8.6
373.18018	42.1
373.27444	7.6
374.18326	4.1
391.14972	3.0
391.19662	21.6
391.28326	100.0
392.19492	6.0
392.28610	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.10946	0.8
55.01865	1.2
56.05028	2.7
68.89554	0.9
69.03422	1.2
69.85628	2.0
69.85952	1.2
70.06582	2.9
72.08138	1.5
77.03889	0.9
77.77035	0.8
79.05484	7.1
81.03411	6.7
81.07055	1.8
83.04964	1.1
83.08626	0.9
84.08147	4.7
85.02895	1.9
91.05486	5.7
93.07031	11.9
95.04971	3.5
95.08580	1.6
98.97562	2.8
102.05544	13.4
103.05462	16.0
105.04533	0.9
105.07045	7.0
107.04950	12.3
109.02854	1.1
109.30624	0.9
109.87512	0.8
115.05527	0.9
119.04959	2.7
121.02872	1.2
121.06497	12.8
121.10281	1.0
125.06056	0.9
127.03909	1.0
128.70839	0.8
129.10213	5.6
131.04909	10.2
133.10118	1.1
147.04404	2.2
149.02350	4.3
149.05971	27.0
150.02679	1.0
150.06313	1.4
153.05426	1.0
153.80431	0.8
158.99702	1.4
159.04419	10.5
167.07088	5.5
175.03912	4.0
177.05458	100.0
178.05809	3.9
192.10194	1.6
193.12302	1.3
195.06514	70.2
196.06868	1.9
196.13353	2.1
210.14900	1.1
211.13271	5.0
213.07523	5.4
223.09270	0.9
231.05481	1.0
240.15915	6.9
256.11047	0.9
268.15405	1.1
286.16537	6.1
312.18167	1.5
330.18967	1.7
399.98959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05507	1.5
56.05027	1.2
57.03427	1.7
61.02914	1.2
65.03928	2.7
65.25925	0.6
67.05474	1.2
67.29852	0.6
69.03420	3.1
70.06584	2.0
71.05001	0.7
71.08611	0.7
72.08154	4.2
73.02897	0.9
79.05472	3.0
81.03404	1.7
81.07061	5.7
82.06553	1.5
83.04955	1.2
84.04518	5.0
84.08114	0.8
85.02903	12.7
86.09695	2.8
87.04491	0.7
91.03908	0.8
91.05473	5.0
93.03392	1.8
93.07009	0.9
94.04173	2.7
95.04958	1.9
97.02892	3.7
99.04446	1.4
102.05524	1.3
107.04933	4.3
107.08547	1.0
109.06522	9.6
110.06112	0.7
111.04424	1.8
119.06034	0.7
119.72669	0.7
120.02091	1.3
120.08112	1.4
121.02848	3.9
123.04427	1.6
123.09195	1.1
124.05185	0.8
125.06033	1.2
127.03873	2.6
130.04958	2.1
137.05988	9.4
139.03896	5.3
140.14380	0.9
142.04993	1.1
145.04927	2.5
149.02351	5.0
151.03799	0.9
153.05482	3.5
154.06242	44.6
155.06569	0.9
161.05977	0.8
166.02612	2.9
167.07028	4.1
168.07858	4.9
169.08582	3.2
171.51939	0.9
177.12814	0.8
180.08676	4.1
181.04953	70.9
182.05302	2.5
183.14928	2.4
184.20337	0.7
211.14490	1.2
213.07574	100.0
214.08023	4.0
217.08200	1.5
248.96230	0.9
286.16412	1.2
356.19052	0.9
392.17020	3.0
392.22037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65359	0.4
53.89215	0.4
55.05516	1.0
56.05037	4.6
57.03448	0.6
57.07074	0.6
60.04508	0.6
60.83902	0.5
63.72896	0.4
67.05508	1.5
68.05038	1.0
68.59148	0.4
69.07072	0.7
69.20843	1.1
69.21263	1.7
69.53407	0.4
70.06590	3.3
72.08162	2.2
79.05490	1.0
80.05033	0.8
81.07048	2.2
82.02949	0.6
82.06549	0.8
84.08143	2.7
86.09717	1.2
86.34762	0.5
91.05483	4.8
93.07060	1.0
96.08094	0.6
97.02914	0.5
98.06089	1.5
99.04462	0.5
99.05589	0.7
103.01836	0.5
103.05439	0.6
105.07053	0.7
106.06569	1.0
107.02439	0.5
107.08586	0.9
108.08145	2.1
109.08949	0.5
109.10188	1.0
116.07124	1.0
119.08668	0.5
120.08118	2.0
123.04444	0.5
126.09155	6.8
131.04950	1.2
131.08615	1.1
137.05984	1.4
138.21307	0.4
149.02347	2.2
153.10320	0.5
158.08141	3.1
158.09482	0.8
160.11218	21.4
161.05995	0.5
167.11832	1.5
168.10236	2.1
185.12984	0.6
188.91150	0.4
195.10158	0.6
213.14792	0.6
217.08372	0.7
227.13858	2.4
230.14761	1.1
261.07306	4.3
273.16101	2.0
279.08389	17.1
280.08731	0.6
330.16714	1.3
332.19724	1.9
347.25031	0.4
348.17886	0.7
348.22705	2.8
350.20563	0.5
374.15710	8.0
374.19269	0.5
392.16840	100.0
392.21747	14.8
393.17090	7.3
393.21741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49575	0.9
56.05025	1.4
60.05608	0.8
61.02925	1.6
62.87321	0.7
69.03419	2.9
69.80388	2.0
70.06577	2.6
72.13168	0.8
75.35477	0.8
79.05489	3.5
81.03408	2.7
85.02905	8.4
86.09684	1.9
91.05457	1.7
93.07060	0.9
95.04987	1.4
97.02863	1.9
98.22753	1.6
102.05553	4.2
103.05459	3.6
105.07016	3.1
107.04948	36.9
107.08613	1.2
108.05276	0.9
115.05429	1.8
116.07080	0.9
120.05673	0.9
120.08128	0.9
123.04420	0.9
123.87271	0.8
124.05197	1.9
127.03905	1.4
131.04945	2.1
135.08043	10.6
136.07486	1.4
137.05966	1.8
145.02802	0.8
145.04991	1.4
145.07593	1.7
149.02322	1.6
151.03915	1.5
152.04597	1.0
154.06264	1.9
163.07536	34.8
164.07829	1.1
167.07031	88.1
168.07387	3.4
176.09192	2.2
180.07822	3.1
180.97171	0.8
195.06496	3.1
195.10144	28.1
196.10484	1.0
208.09720	1.5
211.13295	1.4
213.11209	100.0
214.11575	4.3
240.15913	1.2
269.11243	0.8
392.22733	1.5
393.24649	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	43.3
61.90760	0.9
64.61036	0.9
69.60152	2.2
69.60545	2.4
70.06586	1.8
71.08636	1.7
71.95277	1.9
72.96046	2.1
80.94819	1.6
82.44203	0.8
85.44158	0.9
91.10853	0.8
97.96793	2.3
103.98893	0.9
105.00187	2.2
110.97593	3.5
115.00668	2.1
117.73930	1.0
119.01661	1.9
123.01203	1.5
128.98569	2.5
137.02728	1.6
139.00612	1.1
141.02180	1.7
145.01735	1.3
146.99702	1.2
151.00688	1.1
153.02245	2.2
155.03926	2.0
157.01692	1.1
167.03825	1.8
169.01717	1.1
169.05434	1.5
171.03317	4.6
173.04880	2.2
181.05354	2.0
185.04874	5.8
187.06339	2.1
189.04306	3.0
189.05910	1.1
193.05281	1.3
195.06944	2.9
197.04773	1.6
199.06441	12.1
201.04254	1.3
203.05896	4.6
207.06917	2.7
209.04831	1.2
211.06421	3.8
213.07939	10.2
217.07404	9.3
225.07985	7.4
227.09502	2.4
229.07492	3.9
231.06934	1.6
231.09050	8.4
237.08023	4.5
239.09543	3.8
241.11177	3.0
243.09064	4.2
245.10582	2.3
247.08707	1.3
249.07950	4.1
251.09497	7.3
253.11105	1.7
255.09009	29.9
256.09348	1.8
257.10638	1.6
259.12119	1.6
267.09015	24.5
267.11725	1.8
268.09473	1.5
269.10580	37.0
270.10852	1.7
273.10074	16.3
278.10703	3.3
285.10052	28.5
286.10400	1.2
287.11609	12.0
292.12216	3.5
303.11142	2.5
307.13242	1.3
308.11606	1.7
315.16281	1.8
323.18835	1.5
329.32449	2.5
330.32629	1.8
333.17334	17.8
351.18372	63.5
352.18640	3.5
357.20023	1.5
369.19458	100.0
370.19858	6.7
374.19955	3.9
387.20493	5.0
391.36053	9.5
392.20786	10.1
392.24878	20.2
392.35995	4.5
393.09515	1.8
393.22006	5.2
417.09369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.4
56.22396	0.8
56.96568	46.1
57.44682	0.8
66.78931	0.7
69.58425	0.8
69.99954	1.0
70.00298	2.6
70.06575	1.1
70.24274	0.9
71.95271	2.3
72.96075	2.2
74.85483	0.9
75.43247	0.9
80.94838	1.3
81.07049	1.1
84.96035	1.2
86.09723	2.3
93.07048	1.9
95.08613	1.6
97.96848	1.7
98.22743	1.2
98.23310	1.5
98.97603	1.1
105.00195	1.2
107.08620	1.1
110.97591	3.7
115.00684	1.8
123.01157	1.1
128.98639	4.0
129.02281	0.9
129.38397	0.9
133.01701	1.2
137.02786	3.4
139.00685	1.4
141.02298	1.7
149.02374	0.9
153.02263	2.9
155.03807	2.1
159.03316	1.9
165.02214	1.1
165.15543	0.9
167.03778	2.2
169.01779	1.8
171.03285	4.2
173.04898	1.5
181.05370	2.6
183.03343	1.4
183.06989	1.6
185.04910	5.7
189.04277	2.0
191.05980	1.0
195.07010	2.3
197.04871	1.7
197.08441	0.9
199.06418	14.7
201.07986	2.7
203.05882	5.2
207.06976	2.0
211.06438	6.5
213.07977	23.0
213.09918	1.3
215.09639	1.8
217.07481	12.0
221.08636	1.8
223.10118	1.4
225.07959	7.4
225.09579	0.7
227.09618	2.5
229.07506	21.1
231.06927	1.4
231.09036	18.6
236.09613	1.7
237.07939	4.4
239.09563	5.0
241.11186	3.0
243.09038	6.6
245.10527	1.8
247.08542	11.4
249.08072	2.9
251.09572	9.9
252.09200	2.4
255.09058	22.4
257.10733	2.5
259.12231	2.1
261.10092	1.2
267.09067	21.9
268.09528	1.4
269.10611	66.5
270.10800	2.7
273.10107	12.0
278.10623	2.6
285.10120	27.1
286.10352	1.6
287.11655	22.7
287.14609	1.8
290.10648	1.7
292.12122	8.2
295.15674	1.8
303.11017	2.5
308.11749	2.8
309.17313	2.2
310.13281	1.5
315.16336	0.9
329.32446	1.2
333.17383	10.5
346.40530	1.0
351.18430	40.4
352.18808	2.9
357.19894	1.7
369.19501	100.0
370.19711	4.7
374.19992	1.8
374.30667	1.0
387.20554	9.0
391.35962	2.5
392.20761	12.3
392.36346	1.7
393.09619	5.0
393.14169	1.5
393.21472	1.4
407.62100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	0.6
55.05497	1.9
56.05035	20.9
57.05805	1.1
58.06593	1.2
60.04528	2.3
65.48524	0.4
67.05506	0.9
68.05017	2.0
69.03424	0.5
70.06590	12.8
70.08022	0.8
72.04481	0.5
72.08148	11.4
74.06068	2.1
79.05479	2.7
80.05006	2.4
81.07050	8.7
82.02936	2.6
82.06572	1.9
83.06106	0.5
84.04473	0.5
84.08137	14.3
86.58175	0.4
90.61676	0.4
91.05477	18.1
91.06059	1.0
94.06554	2.1
95.07339	1.3
96.04509	0.6
96.08111	2.4
97.07619	0.9
98.06045	5.2
98.09679	0.5
98.23383	0.5
99.04452	1.0
99.05569	2.6
102.05534	0.9
103.05436	1.2
104.05010	0.8
105.07014	1.6
106.06541	2.5
108.08105	10.0
109.08912	1.1
110.09681	0.7
111.98012	0.5
112.07589	0.8
114.09167	1.0
115.08674	1.3
116.07088	5.6
117.05482	0.6
117.06606	2.6
118.06518	2.2
120.08084	1.2
125.10754	1.0
126.09147	31.9
127.08656	1.1
129.49150	0.5
131.04926	6.8
131.08566	2.7
132.08067	1.3
135.54788	0.4
135.77979	0.5
137.05954	1.9
138.06303	0.5
142.04991	1.9
144.08073	1.7
146.09642	2.0
148.07515	0.7
153.10219	2.2
154.10991	0.8
157.09703	1.0
158.06790	0.7
158.08115	13.3
158.09616	4.2
159.07576	2.4
159.10265	0.4
160.11203	100.0
161.11586	3.5
167.11790	8.0
168.10184	9.6
168.12384	0.6
184.06812	0.7
185.12840	2.3
201.10350	0.5
203.11815	2.6
213.12326	1.3
214.13144	1.1
223.93018	0.4
227.13889	8.5
231.14786	1.0
245.12833	1.2
246.11288	0.7
263.13916	1.6
273.15945	9.6
274.16284	0.8
288.15527	0.7
332.19669	7.8
349.12576	0.7
350.20645	0.8
392.21744	60.7
393.11658	6.7
393.16882	0.9
393.22086	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61507	1.0
53.03928	1.3
55.05505	2.1
57.03439	1.5
57.07073	7.1
61.02924	6.9
64.84771	1.1
67.05495	4.6
68.18085	1.1
69.03425	7.6
69.07071	5.2
70.83132	1.0
71.08647	1.0
77.03922	1.1
79.05045	2.0
79.05492	36.8
80.05798	1.8
81.03407	4.1
81.07066	5.2
83.04988	10.9
83.08616	1.3
84.51530	1.0
85.02902	34.8
86.09698	4.4
91.05473	5.2
93.07045	38.6
95.04967	2.7
95.08594	4.4
97.02882	8.5
97.06532	6.1
99.04456	1.7
105.07018	2.5
107.04947	7.1
107.08594	14.3
109.02888	3.0
111.08095	1.1
117.07037	2.0
119.08559	2.1
120.08110	6.4
121.06474	2.8
125.05991	21.0
127.03949	5.2
131.08519	1.1
133.10120	11.0
135.11687	100.0
136.12010	3.6
137.05977	1.6
139.07539	13.0
143.47527	1.1
145.04950	6.0
147.33229	1.3
149.13226	11.9
153.09103	2.5
153.12700	5.6
159.11716	3.3
177.12743	19.7
180.08690	2.8
184.03433	1.1
195.13799	98.1
196.14136	3.9
213.14877	2.8
233.16479	2.6
237.79974	1.0
245.55417	1.0
251.84564	1.0
261.16162	1.2
283.41132	1.1
370.22589	1.0
392.24564	1.4
393.18732	15.9
393.26907	1.1
413.15695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05505	3.6
67.05499	6.3
69.07075	2.3
69.35954	1.4
69.89466	4.3
78.04948	1.4
79.05498	7.4
81.07064	7.6
81.72572	1.4
83.08644	1.8
84.89987	1.3
86.09725	1.6
93.07028	2.4
94.06561	5.7
95.08588	3.8
98.23269	2.5
105.07055	1.6
107.07355	1.6
108.08116	30.0
108.98040	1.6
120.08096	4.0
121.08891	2.2
122.09666	21.2
122.64874	1.5
131.08670	1.5
134.09688	2.7
136.11250	1.9
149.14795	1.5
164.10794	1.6
194.15359	2.6
212.16727	1.3
246.22145	2.8
274.21399	2.6
306.24265	11.9
309.90567	1.4
317.16202	1.5
330.07724	1.3
336.25281	3.8
392.20062	4.3
392.31552	100.0
393.31909	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30645	0.4
69.03426	0.5
78.47755	0.4
79.05480	0.5
85.02896	0.6
86.09704	0.6
90.90052	0.4
93.94838	0.4
97.73389	0.5
105.07021	1.8
107.04903	0.5
109.02850	0.5
120.08089	1.1
127.03902	0.6
137.05997	1.2
144.03447	0.5
167.34160	0.5
227.05258	0.6
228.26529	0.4
235.52094	0.4
271.04358	0.6
304.18887	0.6
307.11487	3.2
331.11389	0.5
349.12570	25.9
350.12863	2.0
393.11542	100.0
393.18643	6.4
394.11942	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27721	1.9
56.96554	1.9
62.77780	1.6
68.35940	1.8
70.06571	2.5
72.08120	1.7
82.49590	1.7
82.99432	2.0
82.99873	4.6
84.08128	3.8
85.02882	2.0
98.97575	4.8
101.00861	12.1
113.00851	2.2
116.12401	1.9
116.98702	3.4
119.01915	37.1
120.02031	2.1
120.08090	7.3
127.02425	3.0
131.01897	10.6
131.20724	1.8
132.92867	2.0
133.03452	2.3
137.02959	8.3
137.05978	4.3
140.06844	3.3
141.03952	2.8
143.01894	12.3
145.03503	10.0
147.04329	2.9
147.11279	2.7
155.01857	13.1
157.03484	2.9
159.05029	37.6
160.05103	2.5
161.02942	22.5
161.06583	8.2
167.05565	7.7
173.02954	17.9
177.06096	14.9
185.02995	5.6
185.06577	100.0
186.06705	6.9
187.04454	12.2
189.06038	2.7
191.04021	7.7
197.06543	11.3
199.08011	2.1
203.04092	8.8
203.07639	61.7
204.07935	4.1
205.05573	28.4
206.05736	2.0
208.21997	2.2
213.06114	2.6
215.07625	34.9
221.05045	30.1
229.05562	3.7
231.07143	26.9
232.07419	2.1
233.08727	5.2
239.07697	2.5
239.18861	2.4
243.07155	8.4
245.05009	13.0
245.08658	18.8
246.08920	2.5
247.06676	2.8
249.08093	3.8
257.08514	3.0
261.08133	29.4
263.06107	29.2
269.08597	2.5
271.06601	4.9
274.97565	2.9
275.09695	13.8
287.09729	6.8
289.07675	34.9
290.07898	3.1
305.10846	4.6
307.08725	24.3
308.08820	3.1
315.09250	2.5
333.10208	5.2
351.11295	7.2
390.91418	1.9
393.12671	12.2
393.24884	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94592	0.8
53.13120	0.6
63.96167	0.7
69.07095	0.8
69.79730	1.4
69.80117	1.5
78.04701	0.7
78.08625	0.6
79.05495	3.1
81.03449	0.7
81.07058	1.4
84.90881	0.6
89.06335	0.7
91.05495	2.2
93.07035	0.9
94.04186	2.7
95.04982	1.1
95.08609	0.8
103.05463	4.8
105.07037	3.0
106.04190	0.7
107.04981	3.2
115.05454	1.8
122.03632	5.5
123.04427	3.3
124.05282	1.0
128.06230	1.1
129.06979	1.0
131.04938	7.2
133.06491	2.7
135.04422	0.8
135.08089	3.6
137.05972	57.0
138.06313	1.2
143.08478	0.8
144.05646	0.9
145.06406	1.1
151.07497	4.0
152.04619	1.0
159.07991	0.7
159.43115	0.6
163.07539	18.5
163.08887	1.1
165.09152	0.9
167.07031	29.9
168.07373	1.3
173.05971	0.7
175.07581	2.8
187.07472	0.9
189.09085	1.0
193.08664	2.3
200.90901	0.7
201.09094	1.2
203.10643	2.4
206.08920	0.8
207.10103	1.0
223.69116	0.7
263.13083	0.7
293.11795	1.9
325.14420	2.0
357.16714	1.2
393.18784	100.0
394.19202	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
67.05501	0.6
69.74907	0.7
69.75294	0.7
75.60686	0.3
89.07059	0.3
120.08054	0.5
124.42490	0.3
137.06006	0.4
161.11641	0.3
222.16420	0.4
231.11383	0.5
304.19168	0.4
393.18814	100.0
394.19073	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2058
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.31818	0.4
61.61124	0.3
69.07065	2.3
69.71786	1.4
72.68745	0.3
114.91555	0.4
195.08060	1.0
222.06659	0.5
223.07529	6.5
224.07933	0.5
224.65393	0.4
251.07010	100.0
252.07335	5.6
263.07001	0.8
269.08066	54.5
270.08405	3.0
295.08560	0.3
307.13260	7.9
307.16660	0.3
308.13800	0.3
319.13242	0.8
325.14297	2.7
337.14307	0.6
351.18591	0.5
375.19589	2.3
381.00928	0.5
393.09311	0.8
393.20483	2.4
393.25381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
57.07071	0.6
64.23264	0.3
64.73839	0.3
67.05488	0.5
68.63962	0.3
69.07066	0.4
71.07336	0.4
72.63330	0.3
75.83285	0.3
79.05492	0.3
81.07059	0.6
83.86604	0.3
91.05486	0.5
93.07088	0.3
95.08639	0.4
101.96969	0.3
105.07050	0.4
107.08581	0.3
119.08527	0.5
130.88898	0.3
135.85597	0.3
151.50835	0.3
159.11713	0.3
169.02609	0.4
201.33607	0.3
231.44505	0.3
268.06879	0.5
269.07114	0.6
271.19958	0.3
333.17413	0.4
351.18216	0.4
376.25989	0.9
393.09567	1.2
393.26074	100.0
394.26355	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70975	0.3
55.05489	0.4
67.05507	0.8
69.01258	0.3
69.23892	2.1
74.60706	0.4
79.05485	0.6
81.07042	0.9
93.07020	0.6
93.42292	0.3
98.22650	0.5
105.07027	0.3
107.08599	0.4
109.10132	0.5
119.08562	0.5
120.24702	0.4
131.08534	0.5
133.10112	0.7
151.11185	0.4
202.33917	0.3
208.33427	0.3
228.82835	0.3
250.50587	0.3
256.90067	0.3
311.23914	0.4
348.06360	0.4
357.24188	1.4
370.19904	0.4
375.25317	1.0
393.09592	1.6
393.26086	100.0
394.09930	0.4
394.26465	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.0
59.29627	0.4
63.85609	0.4
69.96730	1.2
73.29369	0.4
79.05497	0.4
81.07059	0.4
98.23383	0.5
105.41764	0.4
112.25143	0.4
146.65262	0.4
205.29106	0.4
315.16010	1.9
316.16943	0.4
320.22791	0.4
333.17255	2.9
352.19147	0.6
356.19104	0.5
375.12003	0.8
376.28375	1.7
393.26062	100.0
394.26205	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.7
57.07074	26.8
67.05496	28.7
68.74854	3.0
69.03408	4.7
69.07070	23.4
69.42985	17.0
71.04993	4.0
71.08620	12.6
77.03916	3.6
79.05486	29.7
81.07048	81.0
83.04973	9.2
83.08602	13.5
85.06550	6.1
85.10172	7.4
91.05477	38.5
93.07039	87.1
95.04962	53.9
95.08605	65.7
96.05261	3.7
97.06524	13.4
98.22788	8.1
98.23447	8.3
98.98468	19.7
105.07030	81.4
105.47924	4.1
106.07349	5.1
107.08585	63.4
109.06512	22.0
109.10147	35.7
112.99991	9.7
117.06993	20.9
119.08571	100.0
121.06496	24.2
121.10146	45.8
123.08073	8.9
123.11713	10.1
128.06189	6.0
129.07005	16.8
130.07799	8.1
131.08554	44.9
133.10121	56.6
135.08066	6.1
135.11707	26.2
141.06961	5.9
142.07793	23.7
143.08563	35.2
144.09344	11.2
145.06467	3.9
145.10114	72.2
146.10359	4.0
147.08011	3.5
147.11684	27.8
149.09604	7.6
155.01028	31.9
155.08521	10.8
156.09337	11.2
157.10115	69.1
158.10484	4.2
159.08040	5.9
159.11678	47.5
161.09650	22.0
163.11179	5.4
167.08498	4.4
169.02603	10.2
169.10101	23.9
170.10864	7.1
171.11699	25.8
172.12425	3.1
173.09665	5.7
173.13272	17.9
175.11188	10.6
175.14931	19.8
179.08589	3.9
179.60013	3.6
181.10086	6.2
183.11639	18.7
184.12259	4.4
185.13252	12.7
187.11156	8.7
187.14815	13.3
189.12685	4.5
193.10095	6.4
194.10887	5.8
195.11887	14.2
197.13260	12.5
199.11165	5.2
199.14803	11.0
201.12819	3.7
201.16318	8.1
203.14371	4.4
207.11728	4.3
209.13234	19.1
211.14781	8.4
213.16345	6.1
221.13232	7.0
223.14784	9.1
225.16338	6.0
235.14742	6.8
239.17839	5.1
253.15758	7.4
263.17886	3.7
264.20779	3.8
265.19611	5.6
304.26321	5.0
377.32611	10.2
393.28094	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22235	0.4
56.05029	0.8
57.03424	0.4
58.06600	100.0
59.06930	1.6
69.07053	2.9
70.06598	0.6
71.07372	0.8
72.08171	1.1
81.03381	0.5
84.14822	0.4
85.02920	1.0
86.09714	0.8
87.00850	0.6
91.05493	1.8
93.07072	0.7
95.04985	0.7
95.08647	0.5
95.28154	0.4
98.97588	1.5
105.01839	0.5
105.07002	2.3
109.06531	0.8
111.11710	0.8
115.05469	1.6
117.07009	0.5
119.04955	0.8
120.08100	0.9
121.06504	24.7
123.04424	2.2
129.12749	0.5
135.08044	4.3
136.06082	0.5
137.06012	1.6
143.04910	3.5
145.06544	0.7
147.04395	3.2
158.99863	0.4
159.08006	2.2
161.05975	7.0
162.06412	0.7
163.07562	1.0
164.10770	0.6
178.08603	0.6
179.09402	0.5
192.10202	5.7
200.90630	0.4
207.03308	0.6
208.08745	0.5
219.01807	0.6
223.11272	0.5
225.12869	0.5
237.02811	0.9
251.10716	1.3
261.97577	0.5
269.11661	3.5
271.13263	1.6
313.16541	0.7
314.17484	35.5
315.17944	2.8
327.07434	1.6
347.09778	0.5
394.13181	70.7
395.13486	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45744	0.7
53.66401	0.6
55.51758	0.7
56.96549	0.8
57.03405	0.7
61.02913	1.3
69.03428	1.7
69.81992	1.4
81.03400	1.4
84.08160	0.9
85.02908	7.6
91.05473	9.0
97.02888	2.3
98.97585	2.8
103.05442	0.8
107.04967	0.9
109.02876	0.8
116.98631	1.0
119.01913	1.0
119.04931	23.8
120.05216	0.8
122.03662	2.5
127.03931	1.0
131.01956	0.7
133.32149	0.7
134.83083	0.6
137.05969	100.0
138.06317	3.3
140.06804	1.0
143.01993	0.8
145.04930	1.2
147.04398	49.9
148.04784	1.8
151.07530	2.3
161.02887	0.7
163.07481	1.1
166.07158	0.8
167.07050	1.1
173.02950	0.7
179.07021	54.0
180.07362	2.4
181.08607	1.6
185.06564	0.8
186.06757	1.5
197.08095	18.3
204.07893	1.2
219.01843	1.1
246.09151	1.0
258.06747	0.9
266.09744	0.9
270.06723	1.6
275.06342	0.9
279.06683	0.7
279.30679	0.7
298.97571	0.7
301.00879	0.8
304.07318	0.8
305.08026	1.1
311.11514	0.9
312.07742	2.7
316.98743	1.1
319.09515	3.3
320.10214	0.7
332.06970	0.8
336.09872	0.9
347.09042	0.8
371.11633	1.2
394.06857	1.4
395.11362	5.3
402.06589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.7
62.46858	2.6
69.07070	6.4
70.06594	3.5
79.05482	8.5
81.03435	3.7
81.07045	4.0
85.02901	3.6
86.09693	38.5
87.10035	3.0
88.04000	9.9
89.50612	2.6
91.05479	45.7
93.07042	7.3
95.04969	6.0
95.08571	3.9
103.05457	22.7
105.03390	9.1
105.07024	10.5
107.04939	5.4
109.06522	9.1
109.10113	3.7
115.05456	4.0
117.07016	3.8
119.04948	59.6
120.08095	23.1
121.06519	7.7
123.04397	3.9
123.08063	5.2
130.04100	3.0
131.04921	39.3
133.06503	8.7
137.05978	100.0
138.06305	13.7
138.09077	3.9
141.10202	5.8
147.04417	26.7
149.05994	9.3
151.07538	29.8
156.10211	7.2
161.05983	30.6
162.06741	18.5
163.07527	14.2
164.07922	5.4
166.07288	3.0
166.08583	4.9
167.07080	9.6
168.07353	3.6
175.07558	20.7
179.07007	32.8
187.07582	15.4
193.08566	7.3
197.11670	4.4
201.12329	43.7
205.06570	3.1
205.08556	15.2
219.08150	3.3
229.11769	7.5
251.10817	4.2
279.10165	5.4
291.10181	5.6
309.11237	14.1
311.12674	6.7
314.97778	2.9
319.09647	4.0
324.82599	3.1
329.13721	3.3
330.71509	3.0
394.18344	9.7
394.23087	4.3
395.11151	9.1
395.16913	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01857	6.5
55.05295	0.8
55.05507	8.3
57.03431	5.6
61.02930	5.8
63.91467	0.7
64.68020	0.7
67.05486	2.6
68.99775	2.1
69.03425	39.9
69.07062	49.0
69.20915	4.7
71.01321	1.1
71.04985	4.2
73.02908	5.7
77.37138	0.7
79.05483	1.3
81.02961	1.3
81.03413	25.8
81.07040	1.6
83.01313	1.3
85.02900	100.0
86.03208	1.5
86.05894	0.8
87.00822	50.4
91.03910	1.1
91.05463	1.3
93.07008	0.9
95.08595	1.4
97.02884	43.7
98.23516	1.3
99.04443	14.4
103.03931	0.7
105.01859	93.9
105.07066	0.9
106.02221	0.8
108.04470	3.6
109.02869	26.2
109.10104	1.5
111.11728	6.5
115.03882	1.7
117.01830	2.4
120.08064	1.2
126.05514	1.8
127.03904	80.6
128.04245	2.3
128.14333	1.5
129.01833	3.8
142.69780	0.9
145.04948	50.6
145.37001	0.7
147.02837	2.2
159.02879	12.5
159.09065	1.0
159.11626	0.8
171.02922	1.3
174.65683	0.7
177.03972	0.9
188.12340	0.7
189.03951	4.4
213.03850	2.9
215.52760	0.7
219.13785	2.0
230.06607	1.1
231.04971	31.5
232.05281	1.4
237.14845	2.1
248.07729	2.4
249.06053	15.7
341.15796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32887	0.7
55.01871	3.0
55.05507	2.2
56.05020	1.2
63.13408	0.7
67.05505	1.4
67.32773	0.6
69.03423	1.5
70.06607	0.9
70.22845	1.3
70.27928	0.7
72.07788	0.8
72.08154	10.2
73.02874	0.8
74.02423	1.1
75.02729	0.6
79.05482	2.1
79.09286	0.7
80.99778	0.6
81.07051	10.4
84.04510	3.5
85.02888	3.6
86.09693	1.0
91.05480	1.9
93.07032	1.3
95.04958	0.7
95.08636	1.4
100.40401	0.7
102.05533	3.0
105.07024	2.2
106.19985	0.6
107.08606	1.9
109.02848	0.8
109.06513	7.8
109.10150	2.0
111.08058	0.7
113.42167	0.9
119.08545	1.5
120.08100	8.7
121.06503	1.4
125.05984	8.1
127.03893	4.1
127.07634	0.6
133.10118	4.5
135.10417	2.2
137.05972	100.0
137.09544	4.4
138.06302	2.7
138.09183	0.8
139.07588	0.8
151.07547	0.8
151.11197	2.5
161.09602	6.0
166.05344	2.8
166.08662	3.1
178.15939	1.9
179.10663	50.0
180.11053	1.8
183.11247	1.6
196.16953	2.1
197.08023	2.1
197.11719	74.0
197.49838	0.7
198.12099	2.5
201.12373	5.4
203.03177	2.5
215.12842	2.0
220.37140	0.8
229.11891	4.2
240.19623	2.0
277.11563	0.9
302.03116	0.8
314.97992	0.7
319.09573	2.2
363.08444	0.8
394.20364	4.2
395.11203	3.5
406.26804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44212	1.2
53.73415	1.4
54.32049	1.2
55.05497	2.7
62.18631	1.2
67.05493	2.3
68.05441	1.4
69.07075	3.2
69.62621	5.1
70.06601	1.7
79.05495	3.4
81.03371	1.5
81.07040	7.9
83.08616	2.4
85.02925	2.4
91.05463	6.7
93.07029	1.8
94.04207	2.0
95.08614	6.9
97.02888	2.3
100.77453	1.3
103.05444	2.4
105.01832	1.7
105.07037	6.6
107.04977	5.7
108.05726	2.7
117.07066	2.6
119.08567	4.6
121.06508	6.2
121.10183	1.8
122.03662	5.3
131.04933	5.1
131.74298	1.5
133.06490	20.2
133.10135	3.1
135.04456	2.4
135.08009	2.2
136.05211	5.7
137.05977	100.0
138.06293	1.8
145.06485	2.4
146.07219	3.5
147.08029	9.2
150.06776	2.8
151.07542	98.2
152.07922	1.6
157.06509	2.2
160.08789	1.4
161.13281	6.6
162.06747	1.6
163.07556	11.4
165.09138	7.4
175.07596	2.7
177.09119	23.9
177.10568	2.1
179.14316	9.8
188.08305	2.9
189.09081	3.6
191.10689	1.5
197.15410	5.3
203.10674	5.2
217.12248	4.0
244.22911	1.5
278.13022	1.6
309.14859	10.0
319.09341	1.7
326.15131	6.8
341.17441	19.9
342.17825	1.5
394.09674	1.3
394.25708	10.5
394.31583	3.9
395.11237	3.6
395.20483	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.5
55.05516	9.4
57.03430	5.5
67.05509	20.0
69.03424	15.0
69.07065	21.3
69.26515	15.4
71.04994	6.5
79.05488	10.2
81.03415	7.7
81.07058	50.5
83.04982	3.0
83.08624	12.4
85.02912	31.6
85.06557	8.5
87.00843	5.5
91.05489	16.2
93.07048	16.7
94.04185	3.5
95.08606	59.4
97.02900	12.2
97.06541	13.8
97.10173	8.7
99.04466	4.5
99.08117	6.2
104.23785	2.7
105.01885	7.3
105.07025	22.8
107.04946	4.5
107.08605	8.6
109.06516	5.2
109.10175	3.8
113.09650	4.4
117.07019	3.1
119.08578	30.6
121.06511	8.3
121.10153	10.5
122.03676	7.8
123.08078	6.3
127.03898	13.9
131.04950	5.6
133.06482	23.6
133.10095	18.1
135.11687	15.4
136.05179	4.3
137.05978	100.0
137.13249	12.0
145.04974	6.5
146.07233	6.1
147.08034	9.1
151.07539	81.7
152.07921	3.8
157.06367	3.6
161.13269	68.1
162.13594	5.3
163.07571	11.2
165.09161	8.4
177.09091	26.4
179.14311	90.5
180.14661	4.8
189.08986	4.4
197.15376	43.5
198.15703	3.2
203.10728	6.6
215.16380	9.6
217.12152	4.2
220.88220	2.5
255.98293	2.8
292.27991	2.8
309.14865	13.9
319.09763	5.0
320.10092	4.1
326.15039	7.7
341.13739	2.7
341.17377	18.0
377.16006	3.1
394.10211	6.6
394.25848	10.4
395.11243	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
55.98605	0.9
56.11616	0.9
56.26453	1.1
57.07075	68.2
58.07402	1.5
67.05490	3.9
69.07049	2.5
74.02447	1.5
75.04491	1.2
77.25923	0.9
79.05487	2.7
80.04993	1.6
81.07056	6.5
82.06560	1.1
83.08616	1.7
85.06042	1.9
85.06538	26.4
87.05582	2.8
88.03995	5.7
89.06027	1.1
91.05476	2.6
93.07023	3.2
94.06566	2.8
95.04926	1.2
95.08591	3.3
97.22942	1.0
103.30177	1.1
105.07041	2.1
107.08565	2.5
108.08121	18.9
109.10142	1.3
110.09679	1.9
120.08099	3.6
121.08882	1.0
122.09653	11.3
126.09139	12.0
129.09113	22.0
133.06081	4.5
134.09642	1.6
138.09143	10.7
147.11537	1.0
148.07532	2.2
162.09129	6.5
163.09927	2.0
184.07217	1.1
195.12183	1.1
205.14677	1.5
208.26106	1.0
214.15413	1.0
219.08047	2.2
233.05878	1.7
233.09479	2.1
235.07419	2.1
246.06705	2.0
246.22244	1.8
247.07515	3.7
248.08415	1.8
249.09093	1.3
257.08057	3.2
261.05359	2.3
261.09143	2.3
262.06262	2.8
263.07031	4.7
264.07654	1.2
266.09683	1.1
274.21640	8.7
275.06946	5.2
276.07764	3.9
277.05203	1.3
277.08618	3.0
278.05783	2.9
278.09167	1.6
288.07578	1.3
289.08505	2.2
290.05692	1.8
290.09308	3.7
291.06458	3.1
291.09702	1.2
292.07224	1.3
292.22687	61.9
293.08273	1.3
293.11737	3.0
293.22992	5.4
295.09567	2.0
304.07227	3.8
305.07959	7.1
306.08826	2.6
307.09540	2.0
308.06464	1.0
308.22159	1.6
310.23730	44.5
311.24100	3.9
317.04630	1.3
319.06039	1.8
319.09570	19.3
320.10413	10.8
321.07559	2.3
321.11191	4.7
332.06802	2.7
333.07529	2.2
334.08655	1.5
335.09119	4.0
336.09982	8.9
347.08994	6.1
350.07724	2.0
350.11581	2.1
351.12222	9.3
363.08597	2.6
364.09424	3.9
365.10165	6.5
376.28452	50.5
377.10022	2.8
377.28821	7.4
380.08768	1.5
394.10193	1.6
394.29456	100.0
395.11221	69.8
395.15149	1.3
395.29892	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.64922	0.3
55.01870	0.4
55.05515	1.9
57.07079	14.6
65.03928	0.5
67.05505	3.2
69.07073	2.8
69.30775	0.7
69.31180	1.4
70.06580	0.6
71.04984	0.6
71.08634	11.4
79.05490	5.0
81.07055	5.1
82.06583	0.5
83.05026	0.6
83.08625	0.9
85.10186	7.3
87.04476	0.8
89.06037	12.6
91.05469	1.8
93.05788	0.6
93.07048	3.4
94.06561	3.3
95.04984	0.8
95.08624	1.8
96.08134	0.9
97.10172	0.6
99.11745	1.2
105.07029	1.0
107.07278	0.8
107.08614	1.7
108.07381	0.9
108.08121	17.2
110.09679	2.0
113.13261	0.7
119.08574	1.1
120.08097	5.0
121.08893	1.6
121.10143	0.7
122.09676	11.9
124.07566	0.9
127.14874	0.4
132.08096	0.7
132.31761	0.4
133.08604	5.5
133.10133	0.8
134.09660	2.1
136.07552	0.8
136.11203	0.7
138.09148	4.6
138.12802	1.0
138.44237	0.4
141.44691	0.4
145.10129	0.5
146.09666	1.6
147.11761	0.4
148.11200	1.3
149.13283	1.1
150.09129	1.3
150.12776	0.4
151.09692	0.6
152.10707	4.9
155.01054	0.3
159.11734	0.6
159.50783	0.4
162.12811	0.9
164.10709	5.7
166.12250	0.9
166.15994	0.4
167.33795	0.4
176.14377	0.6
177.11287	1.9
177.12779	0.4
178.12257	0.9
180.13933	0.4
192.13788	0.5
194.15396	5.0
195.12285	12.0
200.07100	1.5
206.15584	0.4
208.16997	1.3
218.07214	0.5
218.19069	1.4
228.10205	0.9
234.18533	0.5
235.07545	0.4
237.12997	0.3
246.18559	4.6
262.06296	0.4
263.07083	0.5
264.19675	1.3
275.07095	0.9
276.19748	0.7
290.09360	0.5
290.21259	0.6
293.11810	0.8
294.20721	0.7
304.26480	0.7
305.08008	1.0
306.08664	0.4
308.22186	6.1
308.25485	0.7
309.22659	0.5
313.19952	0.4
319.09576	2.6
320.10544	2.0
320.22403	0.5
321.07593	0.4
321.11374	0.6
326.23813	0.4
332.06833	0.6
332.25873	2.6
333.07632	0.5
335.09174	0.6
336.10028	1.4
338.23288	5.6
339.23709	0.4
346.08356	0.4
347.09128	0.8
350.11392	0.8
350.26852	0.7
351.12457	1.1
352.25052	0.4
364.09369	0.7
365.10101	0.5
376.22717	0.7
377.32651	10.5
378.32822	0.6
394.29565	100.0
395.11279	11.1
395.24908	0.6
395.29886	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.4
57.07080	94.6
58.66036	1.8
67.05492	2.1
69.07070	5.2
69.30854	10.1
71.08634	90.9
81.07105	1.7
83.08628	3.5
85.09692	3.9
85.10188	49.5
89.06035	100.0
93.07045	1.9
95.04982	2.2
98.98476	2.4
99.11735	8.3
107.07070	7.4
108.28898	1.8
111.11715	2.1
111.40106	1.8
113.13296	4.2
127.14814	3.3
133.08612	37.3
151.09671	5.4
167.65016	1.6
177.11275	13.7
184.19557	1.7
195.12289	95.1
196.12599	2.3
207.07663	1.8
212.88254	1.9
262.06345	2.6
271.26303	2.6
275.06940	1.9
289.05035	2.4
289.08444	2.0
293.11487	2.2
305.08105	2.1
319.09619	5.6
320.10446	6.8
321.11157	2.3
333.07880	2.1
336.09842	4.1
343.02328	2.0
347.09332	3.8
364.09027	3.6
365.10587	3.1
377.32617	79.2
378.32822	5.1
395.11328	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.6
55.05502	7.4
56.96557	12.5
58.06338	3.4
58.06602	43.7
59.06943	6.9
67.74290	1.9
68.72523	1.9
69.03422	7.8
69.06709	3.7
69.07066	55.8
70.06600	2.5
72.08151	2.6
81.03403	3.4
81.07027	2.7
84.96025	5.7
85.02905	17.2
85.68183	2.0
87.00826	7.2
91.05483	5.6
97.02880	5.0
97.06564	2.3
97.96804	4.5
98.97577	44.6
98.98135	1.6
99.04440	3.1
105.01855	8.4
105.06998	2.6
109.02871	6.2
109.10111	2.5
110.97574	11.0
111.11715	28.1
112.99139	2.8
116.98611	16.2
120.08060	2.4
121.06554	10.0
122.06844	4.3
123.04386	2.7
127.03897	11.5
128.98593	11.7
129.12753	27.5
133.10132	2.6
134.99672	2.7
136.07474	2.6
137.09557	2.4
140.98596	5.5
143.00151	7.6
144.98100	4.6
145.04924	5.9
146.99629	2.5
152.98648	3.2
155.00102	2.4
158.99625	12.5
161.01210	4.1
161.05963	3.0
162.06303	2.5
170.99612	4.4
172.52763	1.9
177.00714	7.3
189.00768	2.1
189.02287	3.2
201.00723	4.0
207.03256	10.5
219.01730	23.4
225.04344	3.7
237.02826	30.1
270.12390	2.1
284.12619	2.2
304.07358	2.3
309.06436	30.7
314.17545	3.5
315.17740	16.2
319.09607	5.6
327.07507	100.0
328.07788	5.5
347.09204	2.7
350.08612	3.2
351.07950	5.0
369.08459	8.9
379.79016	2.0
395.07278	41.1
395.13229	28.2
395.23373	3.1
396.13004	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1125
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
54.92789	0.3
66.48199	0.3
75.04469	0.8
81.07076	0.5
83.04971	0.4
93.07072	0.4
93.42423	0.4
98.23572	0.3
101.76881	0.3
133.10094	0.5
173.55063	0.3
185.05936	0.5
186.06754	0.9
189.07007	0.6
190.07733	0.6
191.08354	0.5
202.07779	0.7
203.08510	0.7
205.06615	0.8
207.08051	1.2
214.06235	1.0
217.06607	0.5
218.07216	1.6
219.08014	2.9
220.08821	1.2
221.05962	0.6
221.09651	0.7
229.08595	2.1
230.07219	0.5
231.08057	1.1
232.08798	0.6
233.05984	1.1
233.09669	1.3
234.06644	1.7
235.07529	4.2
236.08150	0.5
237.09100	0.5
245.06000	0.7
246.06839	1.1
247.07503	5.0
247.09697	0.6
248.08241	3.0
249.05748	0.6
249.09082	2.6
250.06227	0.8
250.09933	0.8
251.07010	1.4
251.10649	0.4
257.08121	3.1
259.07498	1.8
260.08316	1.9
261.05530	1.2
261.09125	2.9
262.06287	4.2
262.09808	1.4
263.07053	6.9
263.10263	0.9
264.07605	1.3
265.08582	2.0
265.12094	0.5
266.09290	1.1
273.05353	0.5
274.06119	1.1
275.07025	4.8
275.73779	0.3
276.07742	5.0
277.05255	0.7
277.08487	4.1
278.05743	3.8
278.09329	2.4
279.06473	1.5
279.10043	1.0
281.08270	0.4
281.11798	0.7
287.07007	0.9
288.07776	1.3
289.04953	1.2
289.08545	3.5
290.05743	1.9
290.09369	4.3
291.06512	4.0
291.10129	2.3
292.07269	2.7
292.10669	0.7
293.08072	2.8
293.11710	4.0
294.08691	1.0
294.11908	0.5
295.09705	2.1
297.11066	0.5
303.06595	1.9
304.07303	3.6
305.08057	6.7
306.08780	4.4
307.05942	1.1
307.09589	2.6
308.07056	0.6
308.10422	1.9
309.11191	0.8
316.07346	0.8
317.04416	1.0
317.07837	0.7
318.05365	0.8
318.08905	1.5
319.06018	1.9
319.09586	17.3
320.06738	0.9
320.10358	15.3
321.07559	3.3
321.11142	5.7
322.08322	1.6
322.11624	0.6
323.09064	1.1
323.12833	0.9
324.09827	0.3
331.06116	0.7
332.06741	2.5
333.07559	4.1
334.08099	1.9
335.05435	0.7
335.09058	4.5
336.09894	10.7
337.10486	1.5
339.12350	0.6
346.08337	1.7
347.05450	0.6
347.09198	4.5
349.10718	0.6
350.07721	2.3
350.11594	3.8
351.08557	0.5
351.12247	9.9
352.12610	0.8
362.07944	1.0
363.08615	1.6
364.09344	6.2
365.10132	5.4
377.10092	1.9
380.08911	0.9
395.11249	100.0
396.11557	9.0
396.27396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1124
Annotation	Justicidin C
Peak:m/z	Relative Intensity
53.73561	0.3
54.34889	0.3
54.38685	0.4
63.22786	0.4
70.75089	0.6
91.07092	0.4
94.63326	0.4
98.74474	0.4
109.36468	0.4
136.99295	0.4
140.31639	0.5
159.04575	0.5
160.93405	0.4
165.07001	0.6
178.07806	0.4
179.08475	0.5
184.89449	0.5
185.05971	0.9
186.06677	0.8
189.07024	1.3
190.07784	0.8
191.08531	0.9
202.07809	0.8
203.08556	1.4
205.06531	1.3
205.10197	0.5
206.07268	0.7
207.08093	1.5
214.06274	1.4
217.06477	0.9
218.07262	2.2
219.08064	4.1
220.08809	1.2
221.06013	0.7
221.09521	0.8
229.08578	2.0
230.07379	0.5
231.08028	2.1
232.08817	1.5
233.06026	2.2
233.09579	2.7
234.06808	2.6
235.07521	6.3
236.08228	1.2
237.09047	0.9
245.05969	1.1
246.06789	2.0
247.07533	6.9
247.09720	0.9
248.08299	4.3
249.05495	1.0
249.09117	4.7
250.06255	0.5
250.09953	1.4
251.06975	2.2
251.10501	0.6
253.08591	0.4
257.08112	3.8
258.06818	0.7
259.07553	2.1
260.08383	2.4
261.05493	1.9
261.09094	4.2
262.06250	5.4
262.09808	1.7
263.07068	9.2
263.10245	1.0
264.07599	1.2
265.04974	0.6
265.08548	2.6
265.11911	0.4
273.05524	0.8
274.06277	1.2
275.07050	8.1
276.07788	5.7
277.05264	0.8
277.08508	5.3
278.05746	6.3
278.09363	3.2
279.06500	2.1
279.10126	1.5
280.07501	0.9
280.10776	0.7
281.08231	0.7
281.11743	0.6
282.09027	0.8
287.07022	0.7
288.07697	1.9
289.05023	1.7
289.08585	5.3
290.05746	4.2
290.09348	5.2
291.06549	5.2
291.10110	2.7
292.07269	3.0
292.10599	0.8
293.08084	3.1
293.11722	4.4
294.08762	1.4
294.11932	0.4
295.09668	3.0
297.10834	0.5
301.04974	0.4
301.08536	0.4
303.06561	2.8
303.09427	0.5
304.07248	5.0
305.04791	0.4
305.08066	10.3
305.11615	0.5
306.08807	5.1
307.06009	1.1
307.09616	3.8
308.07101	0.7
308.10388	2.5
309.07825	0.4
309.11237	1.4
316.07339	0.8
317.04465	1.9
317.07910	0.7
318.08859	1.2
319.06052	2.6
319.09610	21.7
320.06976	1.1
320.10379	21.2
321.07538	4.7
321.11154	6.2
322.08243	1.3
323.09210	0.9
323.12735	0.9
331.06064	1.1
332.06827	2.5
333.07523	6.1
334.08279	2.6
335.05557	0.7
335.09076	4.6
336.09906	14.1
337.10425	1.6
339.12473	0.7
346.08453	2.1
347.05399	0.7
347.09128	6.2
348.06219	0.5
349.06824	0.6
349.10751	1.2
350.07770	1.8
350.11493	3.8
351.12259	12.6
362.07870	1.5
363.08621	1.7
364.09427	6.6
365.10214	5.8
366.10559	0.7
377.10114	1.5
380.08957	1.0
395.11252	100.0
396.11548	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1125
Annotation	Justicidin A
Peak:m/z	Relative Intensity
55.26687	0.9
69.23539	6.7
75.04470	4.1
115.19260	1.0
124.48746	1.1
148.84665	1.0
189.06895	1.6
205.06529	5.9
207.07980	2.4
217.06467	2.5
218.07179	3.3
219.08066	4.9
232.08713	2.3
233.05946	13.8
233.09576	1.3
234.06670	3.2
235.07513	8.0
245.05962	2.0
246.06845	5.8
247.07487	8.3
248.08304	13.0
249.08968	3.0
259.07462	2.3
260.05225	1.6
260.08282	11.9
261.05450	12.6
261.08432	1.8
262.06314	5.9
262.09796	7.4
263.07007	14.2
263.10275	2.3
264.07422	1.6
265.04965	2.7
271.04050	1.4
274.06165	10.2
275.07013	10.3
276.07816	11.9
277.08496	7.7
278.09396	8.9
279.06613	2.0
287.03345	1.3
288.07739	7.8
289.04886	9.1
289.08548	7.9
290.05554	2.9
290.09219	4.0
291.06451	7.6
291.10034	4.2
292.07196	2.4
293.08081	3.4
293.11575	19.3
294.12094	1.4
303.06467	12.7
304.07260	39.0
305.04645	1.0
305.08020	20.4
306.05127	3.3
306.08832	10.4
307.09491	2.4
316.07367	1.6
317.04379	8.6
317.07950	2.4
318.08810	3.6
319.09625	100.0
320.06790	1.9
320.10260	24.9
321.07458	3.0
321.11072	16.7
322.08154	1.5
332.06760	35.8
333.07339	5.2
334.08344	5.0
335.05328	4.9
335.09094	19.1
336.09875	37.8
337.10367	2.7
346.08282	2.6
347.09125	57.4
348.09555	4.2
350.07712	4.8
350.11560	5.1
351.08505	3.1
351.12228	18.3
352.12411	1.6
362.07825	6.4
363.08615	12.3
364.09448	2.4
365.10190	34.0
366.10327	2.9
377.10251	17.1
378.10495	1.1
380.09009	1.7
395.11203	14.6
396.11258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1127
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
51.99581	0.4
55.05511	0.9
60.40701	0.5
67.05512	1.0
69.03435	1.3
69.07045	0.6
71.05779	0.6
75.04473	0.5
79.05483	0.9
81.03415	0.5
81.07063	1.7
83.08644	0.7
84.08161	2.4
85.02898	1.6
85.08474	0.5
85.52618	0.5
87.04462	0.7
93.07042	0.9
95.04985	1.1
95.08608	1.6
97.02881	1.0
97.06572	0.4
97.10190	0.6
105.07029	0.7
107.08595	0.8
109.02884	0.5
109.10179	1.1
117.06971	0.6
119.08596	0.5
123.11699	0.8
127.03970	0.6
129.07002	0.6
131.08496	0.5
138.41060	0.6
145.10129	1.4
149.09590	0.7
151.07567	0.5
157.10159	0.7
158.07339	0.5
159.07977	0.5
173.09668	2.0
175.11343	0.5
190.07814	0.8
197.19009	1.2
202.07866	0.9
205.06590	1.1
207.08113	1.0
214.06308	0.9
215.14381	0.7
218.07397	1.2
219.08063	2.3
220.08835	0.7
221.09515	0.6
229.08632	1.2
231.08060	1.2
233.05977	1.2
233.09663	1.4
233.15375	5.1
234.06752	1.7
235.07484	3.8
236.08296	0.6
245.05933	0.8
246.06818	1.9
247.07471	4.3
247.09601	0.8
248.08357	2.2
249.05551	0.8
249.09081	2.7
250.06299	0.7
250.09802	0.9
251.07050	1.1
257.08078	1.8
259.07654	1.4
260.08340	1.2
261.05579	1.4
261.09140	2.8
262.06229	3.1
262.09851	1.3
263.07053	6.8
263.10309	0.8
264.07669	1.2
265.08505	2.2
266.09494	0.6
274.06232	0.9
275.07068	5.9
276.07733	4.2
277.08588	4.3
278.05719	3.6
278.09338	3.3
279.06509	1.5
279.10178	1.0
280.07297	0.6
281.11691	0.7
287.07101	0.8
288.07843	1.0
289.04993	1.3
289.08618	3.6
290.05789	3.0
290.09375	4.2
291.06500	5.1
291.10110	1.9
292.07272	2.5
292.10617	0.9
293.05167	0.6
293.08142	2.9
293.11728	3.8
294.08777	1.0
295.09650	1.9
297.11206	0.5
303.06506	2.1
304.07278	3.8
305.08072	6.8
306.05579	0.6
306.08850	3.4
307.06226	1.0
307.09546	2.2
308.06995	0.5
308.10443	1.7
309.11090	0.8
316.07190	0.6
318.08969	0.8
319.06061	2.0
319.09622	17.0
320.06866	0.8
320.10382	13.3
321.07544	4.5
321.11197	5.4
322.08344	1.6
323.09106	0.9
323.12592	0.9
331.05994	0.6
332.06891	2.1
333.07550	4.3
333.11249	0.6
334.08234	2.1
335.05441	1.0
335.09131	8.7
336.09845	11.2
337.06964	0.7
337.10623	1.4
346.08344	1.4
347.05380	0.7
347.09140	5.4
348.09583	0.8
349.06976	0.5
350.07767	1.9
350.11554	2.9
351.08566	1.3
351.12302	8.8
352.12744	0.7
362.07690	1.8
363.08575	3.5
363.17981	0.7
364.09409	5.3
365.10291	4.9
366.10684	0.6
367.08539	0.5
377.10358	1.7
380.08838	3.8
394.25708	1.4
395.11264	100.0
395.20224	5.6
396.07391	0.7
396.11685	8.0
396.21735	1.1
396.27072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1125
Annotation	Laurenquinone B
Peak:m/z	Relative Intensity
55.05497	1.4
67.05495	4.1
69.07066	1.3
70.06580	1.6
71.04978	1.3
79.05466	2.7
81.07055	5.4
91.05494	2.5
93.07041	2.7
95.04966	2.9
95.08588	2.6
98.06133	1.7
105.06998	3.1
107.08590	1.7
119.08587	1.8
121.10129	1.4
129.97801	1.5
136.07492	1.7
149.09644	1.9
151.07571	1.6
182.08163	2.0
205.06497	3.1
219.07983	1.8
226.23256	1.4
233.06020	5.5
235.07399	3.8
247.07542	5.5
248.08223	3.1
249.05428	1.8
259.07513	1.5
260.08365	4.0
261.05524	2.9
262.06204	8.0
263.07059	12.0
263.10007	1.8
264.07690	2.2
273.05457	1.5
275.07056	6.1
276.07834	4.7
277.05038	2.1
277.08527	3.0
279.06396	1.6
282.08768	7.7
288.07800	2.6
289.05002	3.3
289.08594	6.8
290.09369	4.0
291.06494	11.4
291.10123	4.7
292.07175	2.5
293.08157	1.8
293.11581	2.5
294.05072	1.5
303.06512	7.0
304.07288	6.0
305.08105	5.0
306.08759	13.0
307.09476	3.3
308.06866	3.1
309.07578	3.2
317.08081	2.4
318.08841	23.5
319.06024	3.9
319.09613	20.0
320.10382	5.1
321.07700	3.0
321.11072	2.6
332.06689	4.2
333.03867	1.6
333.07712	1.9
334.08331	17.5
335.08826	3.5
336.09949	7.7
337.06870	2.4
346.08420	5.2
347.09180	10.0
348.06186	4.6
350.11557	1.6
351.12448	4.0
362.07822	23.9
363.08334	4.3
365.10196	5.3
376.24664	2.7
377.10172	100.0
377.24875	2.0
378.10394	9.7
380.08890	13.8
394.25674	12.1
395.11349	34.7
395.20270	19.1
395.25952	14.2
396.11554	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
70.06597	0.8
76.00845	0.5
84.08142	0.6
86.09731	0.8
140.07216	0.6
185.04234	4.1
199.09683	0.6
204.06599	1.5
217.04787	1.2
232.07076	10.9
232.09276	0.8
233.07813	6.1
247.07549	0.7
256.08215	0.5
262.10001	0.7
263.07135	1.0
275.07059	1.2
276.07715	0.8
293.11826	1.4
304.07343	1.8
305.08112	1.1
319.09720	5.7
320.10535	2.0
332.06848	1.3
335.09158	0.9
336.10077	2.1
347.09314	2.3
351.12296	1.3
365.10477	1.8
395.13190	100.0
396.09555	0.6
396.13623	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
54.02396	0.6
55.01866	1.6
55.05512	10.2
55.80574	0.7
57.03424	2.2
57.07064	1.2
57.95935	0.6
58.63946	0.7
61.02920	2.1
62.71180	0.7
67.05494	1.8
69.03430	13.1
69.07067	100.0
69.23428	0.6
69.64558	0.9
69.64901	2.5
70.06588	1.3
70.07378	1.9
71.05010	2.0
71.84958	0.7
73.02924	1.0
78.28867	0.6
79.05505	1.7
81.03412	8.9
81.07045	1.4
83.04976	1.1
83.08611	1.9
85.02904	26.3
87.00824	12.9
91.05492	1.8
93.07059	1.1
94.98348	0.7
95.04974	2.0
95.98557	0.7
96.81508	0.7
97.02897	8.4
97.06551	0.9
99.04458	3.2
105.01868	14.2
105.02541	1.3
105.07018	1.1
107.08582	1.2
109.02879	8.2
109.10175	0.9
111.11716	51.5
113.14738	0.7
119.08597	1.6
120.08094	1.3
121.02860	1.3
121.06535	2.5
127.03911	16.4
127.04850	0.9
128.11449	0.9
129.12750	46.5
130.13104	1.6
131.04987	0.9
136.06183	37.8
137.06062	1.4
144.08107	1.5
145.04976	4.1
147.13799	6.1
159.02876	1.0
159.13464	0.8
162.49055	0.7
163.03831	0.9
163.11256	1.0
175.11179	0.8
178.08661	3.1
179.08978	2.3
181.12332	1.9
189.03975	0.7
202.15909	8.3
211.13249	0.9
220.17047	2.8
221.01860	1.1
231.05064	3.4
244.74982	0.8
247.07678	1.0
249.06190	0.9
249.11041	1.5
263.07132	1.1
275.07028	0.9
289.05276	0.8
304.07349	1.1
305.08237	1.0
315.14206	4.3
315.17868	4.1
319.09766	4.2
320.10312	2.7
332.06842	1.4
336.09860	2.1
346.19031	1.0
347.09143	2.3
350.07718	1.0
351.12375	1.5
352.22269	1.3
364.19687	4.6
365.10132	1.0
378.21301	1.4
395.11060	9.6
395.16925	2.2
395.21182	6.3
396.16129	1.2
396.22345	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	4.7
58.07388	0.7
69.03409	0.9
69.94304	0.6
69.94625	1.0
71.08631	3.2
85.10164	1.8
89.06023	8.4
90.06374	0.9
91.05457	2.6
93.59534	0.4
97.10241	0.5
98.98273	0.4
99.39306	0.4
105.06962	0.6
107.07038	0.5
119.08571	0.5
133.08574	2.5
133.10118	5.2
134.08893	0.5
145.10059	0.7
149.09612	1.1
159.11719	0.6
177.11133	0.6
195.12291	5.7
196.12578	2.3
205.06589	0.5
218.07414	0.6
219.08051	0.7
233.05939	0.5
234.06625	0.7
235.07559	1.3
247.07535	1.1
249.09221	0.7
257.07938	0.6
261.09061	0.6
262.06293	0.6
263.07028	1.8
275.07010	1.3
276.07837	1.8
277.08527	0.6
278.05844	0.8
278.09299	1.0
288.07703	0.7
289.05103	0.5
289.08554	0.9
290.06012	0.6
290.09247	1.2
291.06415	1.4
291.09973	0.7
292.07144	1.0
293.11719	1.3
295.09842	0.5
304.07288	1.6
305.08041	1.8
306.08859	1.3
317.04477	0.8
319.06110	0.6
319.09509	4.8
320.10376	4.4
321.07648	1.0
321.11102	0.9
332.06720	1.6
333.07550	1.0
334.08203	0.8
335.09006	1.2
336.09879	3.0
347.09045	1.9
351.12134	2.6
362.07959	0.5
364.09534	1.5
365.10074	1.0
377.09845	0.6
377.32608	0.6
378.33054	2.9
395.11288	25.9
395.25537	100.0
396.11685	2.9
396.25870	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73386	1.8
74.46791	0.7
79.23318	0.7
88.24065	0.8
147.01875	0.9
174.20343	0.8
197.24832	0.9
201.77620	0.8
202.07698	1.2
203.08604	1.0
218.07297	1.4
219.08072	2.1
220.08792	1.3
231.08043	1.6
232.08827	1.3
234.06650	0.9
235.07637	0.9
245.05965	1.3
246.06717	2.9
247.07541	6.2
248.08437	3.8
260.08325	3.9
261.09128	1.5
263.06909	0.9
263.10748	4.3
264.07733	0.9
274.06418	1.5
275.07083	8.1
276.07736	4.2
277.08777	1.9
279.10309	1.7
289.08667	5.4
290.09265	1.5
291.06812	1.8
291.10172	9.1
303.06516	13.4
305.08194	1.4
306.08856	1.2
307.09650	3.2
319.09647	2.3
320.06854	0.9
321.11221	18.0
322.11496	1.3
333.07562	2.3
335.09076	9.1
345.26382	1.1
347.09244	2.9
365.10202	100.0
366.10553	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43237	1.5
57.03438	11.6
57.07079	2.3
58.79376	1.5
59.34541	1.7
60.04523	2.7
61.02926	4.8
67.05508	2.7
67.55988	1.7
69.03435	12.2
69.07077	4.5
69.70797	2.3
69.71151	5.8
73.02923	17.9
79.05492	3.1
81.03429	3.8
84.08163	1.5
85.02911	37.5
87.04512	2.1
91.05479	4.5
97.02905	17.7
101.82207	1.7
102.09186	100.0
102.41438	1.5
107.04966	2.4
107.08594	4.5
109.02887	3.3
113.09604	4.2
115.03942	8.5
117.07007	3.0
118.85344	2.2
119.04940	2.4
120.04448	3.4
121.10007	1.7
122.03637	2.2
125.09620	2.6
127.03931	7.9
129.07091	2.9
131.05014	1.9
132.53679	1.6
133.04958	3.8
135.08037	8.3
136.07587	3.4
137.05980	25.8
145.05000	7.3
145.06485	1.9
153.09123	12.4
157.06471	3.9
163.06129	2.6
163.07515	3.3
171.10158	4.9
174.06836	2.4
175.07530	3.3
178.08665	3.0
179.08527	1.9
181.08626	3.1
187.07521	2.1
189.09152	12.6
195.08041	2.0
199.09648	10.2
199.13324	2.3
217.10744	3.0
237.12341	3.9
241.12230	2.0
264.14511	5.3
265.11649	1.8
282.71417	1.6
288.62479	1.7
297.11151	4.4
302.70575	1.8
315.12302	3.6
320.09900	2.1
343.11893	2.8
361.12869	19.1
379.14001	4.0
396.11557	3.8
396.19748	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05532	1.5
57.03437	10.7
60.04523	2.4
61.02931	4.3
67.05503	1.8
69.03429	10.2
69.07072	1.4
69.73798	2.9
69.74185	2.1
70.06584	2.2
71.05003	1.4
73.02921	15.3
75.44755	1.2
79.05475	6.1
81.03432	2.5
81.07037	3.8
81.28953	1.1
83.04961	1.4
84.04503	5.1
85.02902	31.7
86.09701	1.1
89.79765	1.0
91.03945	1.3
91.05493	5.1
93.07049	3.2
95.04959	2.0
95.08631	1.6
97.02901	13.7
98.23427	1.8
99.04481	2.4
100.66042	1.1
102.09177	100.0
103.05486	3.4
105.07015	1.7
107.04971	3.8
107.08605	4.2
109.02911	2.7
109.07614	1.9
109.10229	1.4
110.08421	2.1
111.08038	1.3
111.09184	3.0
113.09655	4.6
115.03915	6.9
117.07024	2.9
120.04474	4.7
121.02893	1.2
121.06580	1.3
122.03680	1.9
123.04455	1.9
123.09161	1.9
125.09595	1.2
127.03916	6.2
129.07022	5.2
130.05038	2.7
131.04938	8.6
133.04962	2.0
133.06496	1.5
135.04413	1.6
135.08051	7.6
137.05975	37.4
138.05490	3.1
143.04938	3.5
145.04990	7.5
145.06514	1.8
148.05162	1.5
151.07520	1.9
153.09096	11.6
157.06471	4.4
160.07521	2.3
161.06003	5.3
163.06236	2.6
163.07530	6.1
171.10159	4.6
174.06796	2.4
175.07584	4.9
177.07838	2.6
177.09244	1.4
178.08630	40.6
179.08810	2.2
181.05042	1.4
181.08598	4.8
188.07054	2.7
189.09093	14.5
195.08043	3.2
199.09673	11.7
217.10730	3.4
225.09210	2.9
227.10629	1.7
234.07671	2.6
234.13469	1.5
241.44717	1.3
258.04315	18.3
264.14407	7.1
267.09952	1.8
269.11685	2.2
285.11029	1.4
297.11227	4.8
313.10397	1.4
315.12286	5.5
316.15320	7.4
343.12000	1.5
361.12759	28.4
362.13007	2.1
379.13901	6.0
396.10983	12.0
396.20352	1.6
396.25061	2.9
397.10916	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
55.01877	2.9
55.05511	4.1
55.17937	1.7
57.03441	2.6
58.65053	1.5
61.02946	3.3
67.05509	9.2
69.03445	18.0
69.07068	3.9
69.97005	2.8
69.97314	3.0
70.06605	15.1
71.04996	4.9
79.05494	25.9
80.05019	2.2
81.03432	11.6
81.07058	9.1
82.06573	1.6
83.04972	2.8
83.08630	3.1
84.08165	2.0
85.02911	43.5
86.06078	5.2
87.00827	24.0
87.04465	3.4
91.05482	8.2
92.05001	3.2
93.07053	9.0
95.04977	4.5
95.08607	6.5
97.02901	15.3
97.06551	1.9
97.10184	2.0
98.22727	2.1
99.04459	6.1
101.77371	1.5
103.05475	46.9
104.07116	5.3
105.01878	39.4
105.07024	9.2
107.04959	22.0
107.08604	4.8
109.02885	13.7
109.06548	2.2
109.10192	2.1
117.07076	1.7
118.06567	8.7
119.08604	4.6
121.06538	3.7
121.10227	3.9
125.09653	2.4
127.03033	2.2
127.03927	31.4
128.04247	1.9
131.04927	17.7
131.08606	2.7
133.10120	4.7
135.08063	2.1
138.12759	2.0
145.04956	12.2
145.10051	2.0
147.11700	2.7
149.09602	3.4
151.07559	2.4
159.02925	3.4
159.11713	1.9
188.83505	1.9
189.04031	1.8
191.10664	1.9
202.15924	3.9
210.14934	5.5
212.16534	3.9
224.16428	3.7
228.15948	5.7
230.15433	28.3
231.04909	9.8
248.16495	7.0
249.05959	3.4
254.17531	19.1
255.10184	2.8
275.20056	3.4
293.07974	2.0
299.09256	1.9
305.11829	2.3
322.08304	4.8
337.10504	2.6
337.14343	3.1
351.08798	2.0
378.20627	35.7
378.25732	2.8
379.08179	4.3
379.20782	4.9
396.11472	6.5
396.21603	100.0
396.27390	61.0
397.08484	2.3
397.21887	9.9
397.27313	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
54.18713	1.0
55.01867	6.2
55.05510	1.2
56.49368	1.0
57.03429	4.8
57.07077	1.3
61.02924	5.9
67.05511	1.6
68.74471	1.1
68.99786	1.6
69.03429	35.0
69.40568	6.0
70.06590	2.8
71.01366	1.3
71.05000	5.5
73.02928	5.3
79.05482	3.5
81.03410	19.5
81.03838	1.8
81.07061	3.8
85.02901	100.0
86.03226	1.3
86.06044	1.3
87.00828	49.3
87.04491	1.4
91.03936	1.3
91.05489	1.4
93.07053	2.0
95.04961	1.6
95.08631	2.3
97.02890	29.8
97.03484	2.0
99.04449	10.6
103.05461	2.9
105.01865	87.7
105.07042	3.1
107.04888	1.7
107.08604	1.9
108.04492	1.9
109.02876	29.5
117.01851	2.2
121.10122	1.4
127.03911	72.5
128.04224	1.3
129.01833	2.7
131.65778	1.1
133.10098	2.4
135.11674	1.7
145.04950	38.2
147.02872	2.2
159.02867	9.3
163.22974	1.1
189.04034	5.1
189.16341	2.7
213.03955	3.4
231.04996	24.9
248.07471	1.4
249.06055	10.7
254.17509	2.9
272.18478	1.6
326.87082	1.1
378.20203	1.5
396.11761	1.2
396.21558	6.4
396.27335	6.8
397.22214	1.5
397.27606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05512	12.9
56.05034	2.0
57.07066	3.0
58.94310	1.5
60.04524	100.0
67.05495	18.4
69.07070	11.8
69.51544	4.9
70.06569	1.8
71.04975	1.7
71.08621	2.5
72.04517	3.2
74.06083	2.7
79.05495	9.1
81.07053	17.3
82.06554	3.7
83.04991	2.2
83.08613	10.9
85.10192	1.8
90.05544	1.4
91.05479	7.1
93.01006	1.2
93.07033	8.9
94.06538	2.0
95.04949	1.7
95.08604	13.9
97.10196	1.4
105.07019	5.9
107.08585	4.2
108.08100	1.3
109.10129	5.7
110.09614	1.2
111.08076	1.5
112.11223	1.5
113.00011	2.3
115.68657	1.0
116.07053	1.4
117.07002	1.9
119.08600	4.2
121.10141	5.5
121.98556	1.4
123.11692	3.4
124.11259	2.1
131.08530	1.8
133.10118	3.6
135.11723	3.0
137.13345	1.7
140.10727	1.8
142.12265	28.8
145.10075	2.0
147.11656	1.5
148.33527	1.4
159.11743	2.0
165.12686	1.5
248.08044	1.2
262.25574	1.7
268.26498	1.6
275.19952	1.6
276.07339	1.5
280.26312	21.3
298.27399	29.5
299.27603	1.9
305.07825	1.9
320.09991	5.1
321.10855	3.0
322.11539	1.4
337.10291	3.5
347.09128	1.6
351.08224	1.5
352.12427	2.5
365.10449	1.8
366.10880	1.4
378.33545	2.1
396.11533	21.1
396.28076	7.2
396.34689	52.8
397.11890	2.3
397.35031	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.1
56.05028	4.6
56.16874	0.9
57.07066	4.0
60.04523	100.0
65.03933	1.0
67.05503	12.9
68.05028	1.1
69.07066	8.8
70.06577	1.8
71.04979	1.6
71.08627	1.2
72.04516	1.9
74.06039	1.6
79.05479	6.2
80.05009	1.0
81.07051	14.8
82.06576	3.5
83.04984	1.3
83.08614	9.1
86.06059	0.9
86.09710	1.7
90.05540	2.5
91.05462	5.3
93.07040	6.8
94.06615	1.3
94.07365	1.0
95.05003	1.7
95.08607	11.7
96.08102	1.8
97.06506	1.7
97.10147	3.2
98.09721	1.6
105.07028	3.1
107.08598	2.9
108.08124	1.1
109.10164	4.8
110.09717	1.0
111.08017	1.0
112.11230	1.6
119.08593	3.1
121.10140	2.5
122.09711	1.1
123.11680	2.2
124.11276	1.3
125.09669	1.5
131.08609	1.0
132.79927	0.9
135.11696	1.7
140.10698	1.6
142.12256	30.5
152.14345	2.3
224.16466	1.0
247.07216	1.7
248.08015	1.0
250.09590	1.1
250.25311	1.8
251.23529	1.4
262.25195	1.9
263.09802	1.3
276.07471	2.0
277.08191	1.3
279.06085	2.0
280.23322	1.8
280.26303	17.5
281.26697	1.5
290.08978	1.5
291.06400	1.1
291.09799	1.2
294.12177	1.4
298.27386	27.6
299.27609	1.7
305.07639	1.5
306.08353	2.0
307.09164	1.4
319.09500	1.0
320.09891	5.8
321.10788	3.9
322.08047	1.7
322.11667	1.7
333.06998	1.2
336.09485	1.6
337.10181	3.1
347.08365	1.1
348.09653	2.7
350.30515	2.9
352.12692	2.9
365.10046	2.1
366.10498	2.8
378.10623	1.5
378.33652	1.8
379.22321	1.2
396.11600	29.2
396.28082	9.7
396.34662	56.8
397.11765	3.1
397.23053	1.6
397.35016	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0918
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
50.01587	0.4
51.02379	1.0
53.00306	0.7
53.03941	2.0
54.01532	0.4
55.01859	1.0
56.39463	0.4
65.17836	0.4
67.05494	0.6
68.99768	0.7
69.03420	0.6
70.06583	0.8
71.46146	0.4
79.01843	6.5
79.05473	0.7
81.03408	1.2
81.07047	1.1
84.08122	0.4
85.02895	0.5
91.05465	0.8
92.04948	0.4
93.07017	1.0
95.04956	0.6
97.02802	0.5
105.07017	1.1
107.01312	12.3
107.08578	0.5
108.01626	0.4
109.02866	6.0
109.06506	0.6
118.49483	0.4
119.08539	0.5
121.06499	0.6
121.10144	0.7
127.03908	0.8
128.28110	0.4
132.05693	1.3
133.10132	0.6
134.86635	0.4
137.02325	100.0
138.02716	2.0
159.04376	0.4
160.05145	1.1
161.09558	0.5
165.05469	1.1
165.06952	0.8
175.07555	2.4
178.07755	1.1
179.08475	0.4
181.06490	1.3
192.05681	0.7
193.06459	0.9
194.07271	1.1
195.08089	2.3
196.08824	1.5
203.06982	2.3
204.05840	0.5
204.07758	0.6
205.06522	2.0
206.07245	1.3
207.08089	1.9
208.08786	1.6
209.05928	1.6
211.07565	0.7
219.04376	0.5
220.05141	1.1
221.05951	5.2
221.08081	3.5
221.10019	0.5
222.06744	1.4
223.07500	3.4
224.08257	3.2
225.08922	0.6
227.10475	0.6
231.06503	29.1
232.06941	1.7
233.05962	1.2
234.06665	2.3
235.07515	6.4
236.08266	5.8
237.05399	2.7
237.09070	0.8
238.06223	0.6
239.06995	0.9
239.10728	2.6
240.07666	0.5
241.08626	1.1
248.08275	0.8
249.05476	7.1
249.09297	0.5
250.06200	2.7
251.07025	6.9
252.07755	3.9
253.08546	1.1
255.10098	1.6
259.06003	28.6
260.06711	4.6
261.05234	0.6
262.06189	2.1
263.07007	5.4
264.07767	16.2
265.04990	2.2
265.08505	5.8
266.09268	0.7
267.06540	1.7
267.10117	7.3
268.10489	0.5
269.08063	1.1
276.07767	1.0
277.04932	1.3
277.08649	1.4
278.05783	2.0
279.06522	7.9
280.07224	4.9
281.05020	0.5
281.08002	1.5
282.08911	1.3
283.09726	1.0
290.05743	1.1
291.03455	0.7
291.06491	6.2
292.07181	3.8
293.04602	0.8
293.07944	5.1
294.05240	0.9
294.08789	2.9
295.06042	2.2
295.09589	27.0
296.06894	0.8
296.09766	2.1
297.07529	1.2
297.10944	0.6
305.04440	0.6
305.07993	0.9
306.05276	0.7
307.06073	7.5
307.09653	1.3
308.06729	3.5
309.07410	2.1
310.08368	1.3
311.09167	2.5
319.06003	0.5
320.06735	1.4
321.07471	4.6
322.05029	0.4
322.08124	2.3
323.09106	27.0
324.09512	1.9
325.10715	2.6
335.06009	2.1
335.08829	2.3
336.06296	3.4
337.06900	1.3
338.07831	1.2
339.08585	9.1
340.08920	0.8
349.06989	1.1
351.08508	3.2
352.09293	0.4
352.24823	1.7
353.10175	18.7
353.25171	0.6
354.10519	1.1
367.08099	6.9
379.08075	2.7
396.27371	2.4
397.09143	96.1
397.27740	1.0
398.04199	0.6
398.09445	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1282
Annotation	Parimycin
Peak:m/z	Relative Intensity
69.21578	4.7
75.04475	3.5
88.73515	1.1
98.23522	1.6
126.44694	0.9
148.99614	0.9
149.02301	1.3
205.06477	5.0
219.08099	1.6
220.99043	1.1
233.05925	14.5
234.06677	1.9
235.07497	4.2
236.08134	1.1
237.05452	1.3
246.04111	1.0
246.06715	1.6
247.07602	6.3
248.08287	7.0
249.08873	2.7
251.07153	1.2
252.07875	1.3
260.04504	1.1
260.08340	6.9
261.05453	8.3
261.08679	1.9
262.06284	2.9
262.09760	5.7
263.07007	19.0
264.07813	7.7
265.05014	1.3
265.08554	2.5
267.10123	1.2
275.06982	3.2
276.07764	8.6
277.08597	7.3
278.09344	17.5
279.06659	1.3
279.10101	6.0
280.07281	3.1
287.03455	1.1
288.04730	1.4
288.07678	4.8
289.04962	9.4
289.08234	1.7
290.05621	3.0
290.09381	3.8
291.06491	11.3
291.10147	12.5
292.07288	5.1
292.10501	1.7
293.08026	4.7
293.11694	23.3
294.08710	2.4
294.11826	1.5
295.09726	7.6
304.07297	5.0
305.04663	1.8
305.08026	10.6
306.08810	36.0
307.06104	1.6
307.09567	24.2
308.06778	2.3
308.10193	2.3
309.11212	1.3
316.07205	3.1
317.04431	8.2
319.09680	2.8
320.10382	1.6
321.07739	5.9
321.11182	100.0
322.08206	2.4
322.11859	22.9
323.09082	25.6
332.06787	36.4
333.07458	9.3
335.05429	7.6
336.06094	1.1
336.09888	2.1
337.06857	1.9
337.10617	12.8
337.14346	2.0
338.11444	23.9
339.12024	1.8
347.09113	80.7
348.09598	6.6
349.07022	1.3
350.07779	12.7
351.08578	3.5
352.12830	4.9
353.13824	23.2
364.09369	4.3
365.06097	1.6
365.10211	19.2
366.10867	3.7
367.07916	1.7
379.11771	18.7
380.11926	1.2
382.10135	2.0
397.12833	28.1
398.13181	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	beta-Apopicropodophyllin
Peak:m/z	Relative Intensity
70.96722	0.4
73.64274	0.2
75.04479	0.4
76.48653	0.2
83.73841	0.2
119.91162	0.3
151.03923	0.4
172.05217	0.9
179.08482	0.3
190.07663	0.6
191.08630	0.4
202.07770	0.5
202.15623	0.2
203.08493	0.5
205.06396	0.5
207.08115	0.5
208.08691	0.3
209.09500	0.3
218.07191	0.8
219.08049	1.8
220.08824	0.7
221.05934	0.5
221.09558	0.5
222.06821	0.7
223.07544	0.4
229.08589	0.8
230.09381	5.5
231.08098	0.9
232.08647	0.3
233.05956	0.8
233.09650	0.9
234.06694	1.3
235.07494	2.4
236.08150	0.8
237.09189	0.9
245.05977	0.5
246.06744	0.8
247.07497	2.7
248.08189	2.0
249.05577	0.6
249.09012	1.9
250.06232	1.3
250.09892	0.5
251.06902	0.7
251.10651	0.4
252.07924	0.4
253.08495	0.6
255.10213	0.3
258.06644	0.4
259.07523	1.0
260.08282	0.9
261.05527	0.8
261.09222	2.9
262.06281	1.8
262.09845	0.8
263.07071	2.8
263.10727	0.7
264.07712	1.4
265.05414	0.5
265.08618	4.1
266.05923	0.3
266.09152	0.5
267.10132	1.2
273.05414	0.4
274.06305	0.8
275.07037	3.1
276.07742	3.3
277.08545	4.2
278.05994	0.5
278.09326	2.3
279.06577	1.2
279.10162	3.8
280.07291	2.6
280.10742	0.8
281.08020	0.8
281.11783	0.5
287.07083	0.4
288.07843	1.1
289.05200	0.5
289.08536	3.9
290.05746	2.2
290.09357	2.3
291.06549	2.4
291.10144	3.7
292.07254	1.7
292.10910	2.1
293.08093	3.0
293.11676	1.2
294.05441	0.4
294.08789	0.9
294.12283	0.4
295.09595	3.2
296.10413	0.5
303.06555	1.0
303.09763	0.3
304.07257	2.0
305.05035	0.2
305.08087	7.4
305.11575	0.7
306.08813	3.0
307.06021	0.6
307.09589	7.9
308.06790	0.6
308.10358	5.5
309.07587	0.7
309.11197	1.5
310.11938	0.7
311.12717	0.3
317.08075	3.4
318.05377	0.5
318.08801	2.6
319.06082	0.5
319.09625	8.9
320.06827	0.5
320.10339	1.8
321.07578	2.6
321.11261	4.4
322.08405	1.0
322.11954	9.0
323.09079	4.3
323.12784	9.9
324.13089	0.6
332.06674	1.0
333.07553	5.1
334.08215	0.9
335.09021	1.4
336.09744	2.3
337.10602	2.6
338.11438	5.6
347.09088	3.6
348.09897	8.5
349.06845	0.5
349.10559	0.8
350.07800	1.2
350.11542	0.3
351.08606	0.8
351.12335	1.7
352.13083	1.1
353.13821	7.2
354.14157	0.7
364.09344	1.8
365.10205	2.3
366.10867	2.1
367.11807	0.3
379.11801	5.8
382.10352	0.9
397.12814	100.0
398.13214	7.1
404.62598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1289
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
54.04985	3.7
55.05518	4.8
67.05524	4.7
69.03418	3.5
69.07074	6.0
69.13094	19.5
70.06596	6.4
74.57810	3.0
79.05509	6.8
81.07047	6.6
91.05476	3.9
93.07038	6.2
95.08591	5.8
95.49644	2.8
98.87788	3.3
99.04462	31.9
102.09217	4.1
105.07024	11.0
106.59100	3.1
107.08624	5.5
109.06571	3.1
119.08578	8.4
121.10143	3.7
127.03921	12.1
165.06995	4.1
179.10669	3.4
207.10156	14.1
222.06830	4.9
223.14476	4.2
234.06810	4.4
235.07556	4.6
237.05528	6.1
248.08037	4.3
249.05508	7.2
250.06210	4.2
251.06999	7.8
252.07846	5.5
262.06277	4.4
263.06931	9.8
264.04184	5.5
264.07693	5.6
265.04984	9.1
265.08563	8.0
266.05789	5.8
267.06424	6.4
277.08481	5.7
279.06430	16.3
279.09705	5.7
280.07306	13.4
281.04550	4.7
281.07901	7.5
291.06616	9.8
292.07233	7.4
293.04648	7.4
293.08066	10.2
294.05194	11.8
294.08887	10.1
295.06433	3.6
295.09698	10.6
295.20157	7.7
296.06934	6.8
297.07565	6.4
297.11047	3.8
305.07999	7.5
306.08517	4.2
307.05948	7.5
308.06769	11.2
309.07623	19.0
311.05539	20.3
313.07184	4.1
319.05856	4.7
319.09561	5.8
320.10391	5.5
321.10522	12.1
322.08173	8.3
323.09146	100.0
324.09860	29.5
325.07062	8.9
325.10678	13.1
326.07870	25.0
333.07648	6.7
335.08850	5.5
337.06805	9.5
337.10608	12.2
338.11356	11.3
339.08560	8.9
339.12274	14.1
339.19022	14.9
340.09335	15.3
348.09866	6.4
349.10242	9.6
353.09943	20.3
354.10489	4.4
355.11740	51.1
356.12292	4.4
365.09900	8.3
366.10770	20.5
367.11758	34.8
369.13382	7.0
378.29108	3.9
379.11804	18.0
396.26865	6.3
397.12552	96.3
397.16550	7.5
397.27734	3.9
398.13266	9.3
398.36194	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
55.31966	0.4
67.05508	0.5
69.03429	0.4
79.05476	0.7
81.07017	1.3
83.04984	1.1
85.02900	0.7
91.05466	1.4
93.07028	1.2
94.06609	0.6
105.07027	1.0
107.08617	0.9
111.06840	0.4
117.06953	0.6
118.06493	0.5
119.04929	0.9
119.07353	0.5
119.08562	0.7
121.10101	0.8
122.03624	0.8
126.99998	1.7
128.06165	0.7
129.07019	0.9
131.08594	0.6
136.07553	0.6
137.05972	10.2
141.07014	0.5
141.09088	0.6
145.06462	0.5
145.10103	0.8
147.11624	0.5
149.05951	0.6
151.07478	1.4
159.08051	0.6
161.05923	1.7
161.09584	0.6
165.01807	1.0
171.07956	0.6
175.07500	0.6
182.07214	0.8
185.09610	1.4
187.03969	0.4
191.06998	0.7
195.08116	0.5
197.09625	0.7
198.06714	1.5
199.07407	1.5
201.09041	0.6
211.07516	0.7
213.09081	2.8
220.13251	0.9
225.09016	1.6
239.29388	0.5
243.10115	2.3
247.09604	1.3
249.14615	7.9
254.13797	1.2
255.10201	1.0
264.07809	0.6
265.08438	0.5
271.05869	0.7
273.08698	0.6
273.11249	6.9
277.10901	0.7
281.08124	0.4
283.05988	5.2
289.08389	0.8
291.10126	0.7
293.13596	15.8
294.13770	0.5
295.05969	1.4
295.09277	0.5
301.11063	0.6
304.10339	0.5
305.11630	0.5
307.09521	1.0
309.07352	1.0
311.14655	3.5
313.07022	1.2
317.11676	0.8
321.11218	0.6
323.05533	0.7
323.08981	0.8
335.08844	0.5
337.07007	0.6
351.08316	0.7
351.12155	1.1
353.15726	11.0
354.14536	2.1
364.94562	0.5
367.15417	0.7
379.08041	2.2
379.15039	1.3
392.61292	0.5
397.09894	3.3
397.14615	100.0
398.14954	6.7
398.21585	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01862	4.9
55.05508	7.7
57.03441	4.1
60.38576	1.5
61.02931	3.2
61.51487	1.5
65.03947	4.1
67.05504	11.7
68.99784	3.0
69.03064	2.4
69.03429	33.6
69.07063	6.1
69.67206	5.3
70.06598	3.4
71.04986	3.9
73.02913	3.3
79.05504	13.2
81.03423	15.0
81.07056	17.4
83.04977	6.5
83.08632	2.0
85.02908	22.5
87.00803	11.3
91.05481	18.7
93.07045	40.2
95.04962	7.0
95.08607	23.6
97.02879	13.3
97.06517	4.0
99.04436	4.5
100.11237	1.7
103.03934	3.2
105.01885	2.4
105.07022	30.8
107.04939	5.7
107.08591	100.0
108.08968	3.1
109.02875	4.4
109.06520	8.1
109.10151	15.8
111.04444	7.1
111.08099	3.0
113.02407	1.8
115.03924	5.3
117.07018	5.0
119.06102	2.3
119.08579	34.5
121.06521	8.7
121.10144	47.8
122.10487	2.0
123.04439	6.7
123.08061	3.8
123.11694	4.1
125.05997	3.3
125.09610	2.2
127.03923	11.3
129.01863	2.7
129.05504	1.7
129.07016	2.3
131.08591	10.4
133.06511	3.5
133.10114	14.4
135.08054	4.2
135.11693	18.7
137.02338	2.7
137.05978	4.9
137.09628	2.1
137.13237	3.1
141.06976	1.6
142.07799	1.8
143.08566	5.4
144.09225	1.8
145.04939	2.8
145.10072	11.4
147.02898	2.5
147.08047	4.8
147.11703	16.4
149.06018	4.0
149.09618	3.6
149.13271	22.7
151.07521	1.8
153.05492	3.0
155.08533	4.0
156.09271	3.4
157.10115	4.7
159.02879	3.3
159.08069	3.8
159.11679	15.5
161.09695	4.2
161.13266	22.4
163.07417	2.5
163.11195	2.5
163.14792	3.8
167.07040	3.8
169.10048	4.0
171.11685	7.5
173.09628	3.5
173.13290	6.5
175.07436	2.1
175.11105	2.6
177.12746	13.1
179.14281	16.9
183.11685	2.3
185.08151	2.3
185.13254	3.0
187.11176	3.4
187.14861	1.8
189.03957	6.1
189.12778	6.3
191.14233	3.9
196.12454	1.8
197.09738	2.1
197.13261	3.5
199.11142	2.7
201.03893	2.6
201.09201	1.9
201.12831	3.3
201.16556	1.5
203.14294	4.0
207.13776	5.6
211.14885	2.3
213.12700	3.7
215.10851	1.7
215.14345	5.6
217.12247	2.3
227.14285	2.0
229.15918	5.8
231.04790	2.1
233.15364	6.0
239.14384	5.7
245.15323	3.1
247.17166	1.6
257.06586	1.7
257.15341	23.9
275.16403	40.1
276.16861	2.8
293.17410	3.2
335.18542	2.8
361.16370	13.9
362.16705	2.9
379.17529	21.3
397.08740	2.8
397.18137	19.7
397.22617	3.2
397.27255	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43679	1.0
55.05515	1.5
56.05032	1.3
56.98322	1.2
56.98592	1.2
57.03434	15.0
59.05005	1.9
59.06145	1.1
61.02923	5.9
63.42329	1.1
67.05510	3.7
68.05058	1.3
68.69744	1.3
69.03429	22.8
69.07069	24.5
69.46943	3.4
70.06586	2.8
71.04971	1.5
73.02913	20.4
79.05505	1.7
81.03416	4.1
81.07053	4.2
83.06083	1.5
83.08582	1.9
84.04483	1.4
85.02904	44.9
86.03275	1.1
86.09723	2.5
87.04470	12.3
90.59445	1.2
91.03941	1.5
91.05478	7.9
93.07025	6.5
95.04946	3.0
95.06113	6.1
95.08624	8.8
96.06275	2.1
96.06870	23.4
97.02895	23.8
97.07655	23.4
97.94500	1.2
98.97577	2.2
99.04456	2.2
101.02386	4.3
102.09181	2.7
103.05469	2.1
104.10741	1.4
106.06550	3.0
109.02887	4.9
109.06500	1.4
109.07633	23.3
109.10149	4.3
111.08092	1.6
115.03926	27.0
119.08575	20.4
123.09213	2.4
124.08742	1.3
125.07098	9.5
126.10278	22.7
127.03900	9.8
131.04930	2.7
133.04967	23.1
137.09605	21.6
137.10634	1.2
144.30373	1.2
145.04961	19.1
147.08078	2.4
150.07649	3.4
152.03110	1.2
153.06648	2.0
155.10658	2.1
163.06038	12.7
165.09164	3.7
170.09233	15.4
171.07674	8.7
171.09062	2.2
183.10202	4.6
201.11220	51.0
202.11595	2.0
219.12340	5.4
223.05949	2.1
235.10864	1.9
237.16203	1.3
241.07103	3.3
251.17609	1.7
259.08060	2.1
265.19095	2.5
279.20786	2.5
291.07715	2.1
295.10229	2.8
353.20746	4.7
354.24036	5.7
380.16699	1.4
398.22864	100.0
399.16367	1.9
399.21713	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2175
Annotation	Heliosupine
Peak:m/z	Relative Intensity
53.03939	0.7
54.31730	0.4
55.05512	6.7
56.61953	0.4
57.03443	0.5
65.03934	0.6
66.04673	0.4
67.05502	1.9
68.05021	1.6
69.03419	1.0
69.07060	0.9
73.06558	1.2
79.05506	2.1
80.05016	2.5
81.03394	0.6
81.05791	0.4
81.07062	4.4
83.04980	18.4
84.04500	1.3
85.02912	1.1
91.05472	2.4
92.05010	0.6
93.05784	5.8
93.07041	2.5
94.06573	4.6
95.04965	0.9
95.07366	0.8
95.08598	1.7
96.04574	0.4
96.06873	0.8
97.02875	0.5
97.07636	0.5
105.07011	2.1
106.05894	0.6
106.06564	6.6
106.07233	0.9
107.07362	0.4
107.08585	2.1
108.08107	3.7
109.06526	2.0
109.07630	1.2
109.08894	0.6
109.10147	1.0
110.06071	0.5
111.06819	2.3
112.07607	1.2
113.09599	0.6
115.98529	0.4
117.07076	0.4
118.06543	4.8
119.07339	5.6
119.08551	1.0
120.08113	8.4
121.06525	0.7
121.08891	1.1
121.10150	1.4
122.09653	0.5
124.07607	1.1
129.78792	0.4
131.08556	0.5
133.10164	0.6
135.11598	0.6
136.07578	8.2
137.06012	0.6
137.08365	13.6
138.09137	1.2
141.09123	8.4
145.10126	1.8
147.11661	0.5
151.11243	0.5
151.36420	0.5
153.01903	0.4
154.08615	5.4
159.11699	0.8
161.13191	0.5
163.11247	0.4
170.09268	0.5
174.09093	0.5
174.12814	0.5
176.10684	0.8
182.17406	0.4
192.13811	1.8
201.16423	1.2
202.12268	0.6
216.10732	0.5
218.11783	2.8
219.17424	0.8
220.13330	10.1
237.13594	1.7
238.14368	0.6
254.13866	23.3
255.14185	1.4
277.14310	0.7
298.16522	0.8
308.18530	0.8
354.19174	0.9
380.20654	0.6
398.21753	100.0
399.22131	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
56.05029	1.0
57.03445	2.2
61.02946	0.4
67.05499	0.8
68.05017	1.8
69.03435	3.0
69.80771	1.3
70.06580	1.2
71.04990	0.8
73.02910	0.7
75.18161	0.4
79.05485	1.7
81.03413	2.5
81.07053	0.9
82.06583	0.5
83.06101	1.5
84.04499	2.5
85.02906	8.8
88.91750	0.4
91.05487	1.2
93.07072	0.7
95.04982	0.5
95.06068	4.8
95.08617	0.4
96.06867	17.0
97.02892	2.7
97.07650	25.4
98.07957	0.4
99.04424	0.4
103.05461	11.5
105.07034	0.6
106.06548	33.3
109.02825	1.0
109.07632	26.0
114.05520	0.6
118.06543	1.3
119.08606	0.5
123.09168	1.7
124.08714	0.4
125.07126	3.9
126.10276	19.6
127.03911	2.0
127.10559	0.6
129.06900	0.5
130.05025	0.5
131.04918	29.9
132.04453	1.9
134.08397	0.9
135.09138	1.2
144.08043	1.0
145.04980	0.9
148.05165	5.7
150.11494	0.4
151.08665	1.1
153.06596	1.6
161.05988	1.8
162.06677	0.5
162.09132	0.6
163.07526	15.9
164.11862	0.5
170.07732	0.5
170.09230	13.4
171.09161	15.7
172.07561	1.2
172.09903	0.6
181.09732	0.5
189.10217	1.1
190.08580	0.8
196.07910	0.5
201.11069	0.8
208.10718	0.5
217.09689	11.9
218.08112	3.1
219.10268	0.7
223.14423	1.7
235.10756	22.3
237.11079	0.9
237.15927	2.3
265.19147	1.8
279.20682	1.5
295.20151	0.6
311.19763	0.4
324.20248	1.9
337.21063	0.7
353.20526	2.8
354.23892	8.4
355.23962	0.5
381.20108	0.5
398.22833	100.0
399.17560	1.1
399.23029	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2417
Annotation	S32826
Peak:m/z	Relative Intensity
58.50220	0.2
60.49806	0.2
71.46748	0.3
79.05484	0.3
83.94614	0.3
115.17233	0.3
125.35901	0.2
131.04921	0.3
135.04417	1.5
149.05972	0.6
153.05458	2.5
161.05939	0.7
167.07050	0.8
173.06004	0.4
179.07088	0.4
185.06100	0.4
204.92624	0.3
210.35493	0.3
214.17952	1.0
220.86943	0.2
256.26321	0.5
262.02182	0.2
268.86050	0.3
307.09811	0.3
318.30023	0.7
339.12347	1.4
354.14120	0.4
398.24133	100.0
399.24457	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.3
57.07071	4.5
63.80517	2.2
64.22691	2.2
64.63418	2.7
65.46671	2.0
67.05510	11.5
69.03417	3.0
69.07072	11.8
69.26582	9.8
69.26995	3.9
70.06586	2.8
71.08623	12.9
79.05473	5.3
81.07041	16.8
83.08620	6.4
91.05476	10.6
92.86209	2.8
93.07039	9.4
95.04949	3.7
95.08595	13.8
97.06537	3.7
97.10149	2.9
99.08092	13.6
105.07025	9.0
107.08601	4.8
108.08120	2.2
109.06509	16.3
109.10166	4.7
119.08591	8.9
121.06506	4.2
121.10194	3.7
122.54384	2.7
133.10153	5.6
135.11696	5.0
137.28572	3.0
145.10138	3.9
147.11720	4.0
161.13205	3.2
165.12764	32.2
177.12634	3.2
190.73967	2.2
209.19073	6.6
279.19379	3.2
289.25272	13.3
317.24762	80.9
318.25064	6.7
335.25812	100.0
336.26004	5.7
353.26886	4.0
370.24084	7.2
380.22852	4.1
398.23550	54.2
398.35684	4.8
399.23938	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3632
Annotation	C6 ceramide
Peak:m/z	Relative Intensity
52.14191	0.7
55.05512	12.0
56.05042	7.8
57.07081	5.0
60.04527	100.0
61.04847	0.9
67.05521	5.0
68.05007	1.0
69.07075	5.8
70.06584	1.0
71.08636	2.3
72.04531	1.3
73.86563	0.7
74.06081	1.5
76.17928	0.9
79.05482	3.7
80.05035	1.2
81.07050	7.9
82.06589	2.5
83.04975	1.5
83.08624	9.0
85.10190	2.3
90.05553	1.0
91.05480	1.3
93.07059	3.9
95.08617	6.9
96.08125	1.2
97.10180	2.3
98.09711	1.1
105.07016	1.5
107.08595	2.2
109.10160	2.1
112.11232	1.9
121.10143	2.0
122.19820	0.8
123.11867	0.7
135.11685	1.1
140.10732	1.2
142.12276	28.9
144.13850	2.2
192.96922	0.8
198.08736	0.8
252.26871	3.1
254.28310	1.7
264.26913	3.3
270.27835	4.3
276.78668	0.8
282.27945	23.6
283.28198	1.4
300.28989	38.1
301.29376	2.8
311.61801	0.8
380.35205	2.7
398.36313	51.3
399.30713	27.0
399.36603	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.5
56.05023	3.9
57.07080	3.9
59.27638	0.6
60.04522	100.0
67.05499	11.2
67.60263	0.6
68.05035	1.1
69.07064	7.1
69.15337	4.7
70.06583	1.3
71.04993	0.8
71.08634	2.1
72.04520	2.5
73.02921	1.0
74.06079	4.5
76.02248	0.7
79.05482	5.4
81.07057	10.8
82.06583	2.8
83.04935	0.7
83.08620	6.3
85.10178	1.0
86.06047	1.6
90.05558	2.3
91.00857	0.7
91.05463	3.3
93.07038	6.3
94.06546	1.6
95.08597	11.1
96.08150	0.9
96.08948	0.8
97.10159	2.1
100.11267	2.3
101.79497	0.6
105.07015	2.4
107.08606	2.6
109.10145	4.1
110.09735	0.8
111.08095	1.0
112.11285	0.7
116.07117	0.9
118.61327	0.7
119.08563	2.3
121.10150	3.2
123.11729	2.0
133.10133	2.0
135.11687	1.8
142.12257	0.9
144.13824	40.6
145.14194	1.5
149.13168	0.9
171.13718	0.8
250.25331	2.3
251.23631	0.8
262.25336	2.2
280.26324	20.6
298.27368	28.1
299.27765	1.9
380.35083	2.3
398.36252	57.2
399.25235	1.0
399.36658	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39212	0.7
55.05513	8.3
56.05033	3.7
57.07078	3.2
58.02967	0.8
60.04528	100.0
65.39184	0.7
67.05513	11.9
68.05027	1.5
69.07068	5.9
70.06590	1.4
71.08636	1.4
72.04510	3.4
73.43472	0.5
74.06074	5.4
79.05509	5.3
80.05033	1.6
81.07059	13.4
82.06594	1.6
83.08616	5.3
84.08130	0.9
85.10198	0.9
90.05574	1.9
91.05479	3.7
93.07050	5.3
94.06550	1.4
95.04967	0.8
95.08610	10.5
96.08163	0.9
97.06560	0.8
97.10189	2.7
98.06064	1.1
98.23016	0.8
100.07594	0.8
100.11268	2.1
105.07008	3.2
107.08602	2.8
109.10164	4.6
111.11761	0.8
119.08575	2.3
121.10153	3.1
122.09676	1.1
123.11726	2.1
125.13301	0.9
131.11029	0.6
133.10165	1.5
135.11758	1.0
142.12222	1.0
144.13838	37.0
149.13326	0.8
245.22807	1.0
250.25336	2.3
262.25153	1.5
268.26370	1.5
280.26370	19.0
280.29446	1.0
281.26770	1.5
298.27405	26.4
299.27789	1.5
333.46332	0.7
380.35229	2.0
398.22519	3.0
398.36304	49.2
399.25391	1.1
399.36624	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	29.8
57.07054	12.5
69.07063	9.8
70.06583	18.6
84.08125	32.5
86.09676	12.8
87.83815	8.1
97.02881	25.4
98.97576	100.0
101.06023	11.3
102.05546	14.1
106.06532	32.4
106.07200	9.1
107.27494	8.0
110.97536	8.1
111.04446	13.3
112.99125	7.7
116.98608	44.0
128.98595	15.3
129.05467	13.5
131.00159	9.7
131.04945	14.0
134.99686	13.9
136.06177	12.3
145.20033	8.4
146.08096	9.8
158.99628	11.4
171.09183	12.8
177.00677	12.3
179.48036	8.7
210.38528	9.1
213.00769	16.5
219.01772	34.3
221.73796	9.3
235.10710	23.5
237.02766	56.9
250.09416	13.3
255.04085	10.1
274.97504	26.6
290.72482	8.5
292.98669	18.1
339.03851	13.0
339.07617	43.0
357.04825	22.1
399.06668	25.7
399.11667	14.0
399.16449	21.2
399.29755	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78600	1.1
56.05004	1.0
56.96560	15.9
70.06583	2.3
71.00043	1.2
71.08624	1.3
72.08144	2.3
74.15194	1.1
84.08137	9.0
84.96032	5.0
85.02892	1.5
86.09699	2.0
97.02885	2.5
98.97581	48.1
102.05466	1.1
105.07008	2.1
105.09096	1.2
106.06547	4.6
110.97562	21.7
111.04454	1.4
112.99113	3.5
116.07053	2.9
116.46577	1.1
116.98617	22.1
123.00644	1.2
124.99112	2.4
128.98608	18.0
129.05507	1.1
131.00165	5.6
131.04951	1.7
134.99655	6.5
136.06169	2.6
140.98592	3.1
143.00168	5.3
144.98007	1.7
146.99620	7.9
149.01236	3.0
158.99657	7.1
161.01228	9.5
170.99637	5.2
171.09163	1.7
177.00688	9.6
179.02171	1.8
189.00665	4.8
189.07381	2.0
193.01700	7.1
195.03294	10.3
197.16556	1.3
201.00706	3.7
211.02840	5.4
213.00792	1.7
213.04340	8.1
217.09804	1.4
218.99625	1.6
219.01762	33.2
220.02168	1.2
235.07887	1.8
235.10701	3.2
237.02759	64.8
249.04301	1.4
250.09320	1.4
255.03740	2.8
274.97540	5.5
279.05334	3.6
292.98471	2.5
339.07492	100.0
340.07892	5.3
357.08521	5.8
399.09534	9.7
399.16385	1.7
399.23383	3.2
399.29294	2.2
399.69473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17674	0.3
65.54002	0.2
69.45800	0.6
69.46203	0.8
83.04961	0.3
95.08573	0.3
98.23451	0.6
103.05440	0.5
105.06999	0.3
111.04395	0.3
115.05450	4.5
116.05807	0.3
117.06998	0.4
128.23866	0.3
129.07001	1.1
131.04918	0.5
135.04401	1.5
135.76225	0.3
139.05492	0.4
142.33023	0.3
143.04906	6.5
145.06487	1.0
149.02357	1.8
157.06464	0.9
159.04413	0.9
161.05945	0.6
167.04951	1.6
168.05675	0.8
171.04393	1.4
173.05974	5.3
183.04431	0.3
185.05971	1.2
187.03879	2.3
189.05490	0.7
193.06488	0.4
195.04407	2.0
196.05180	2.8
197.05902	0.5
199.03931	1.7
200.04756	0.3
201.05455	15.7
202.05818	1.1
205.06494	3.2
209.50018	0.3
211.03835	0.3
215.03348	0.4
216.86914	0.2
217.04947	0.5
221.05931	1.5
223.03864	3.8
223.07515	0.8
224.04643	8.0
225.05405	3.9
226.06180	0.9
227.03391	0.8
231.06534	0.9
233.06023	2.3
235.07661	1.2
239.03387	0.5
245.04370	0.6
245.67604	0.3
247.05844	0.5
249.05531	1.8
251.03401	2.2
251.07019	5.6
252.04143	3.8
253.04863	2.5
254.05673	1.2
255.06410	0.8
259.06046	1.4
261.05493	1.2
262.06223	0.4
263.07022	3.9
264.04126	0.4
275.07098	0.3
279.06509	4.1
280.03604	0.5
280.06738	0.3
281.04437	59.5
282.05194	100.0
283.05551	5.3
291.06488	4.7
292.07080	0.3
293.07993	1.3
303.06479	2.6
306.04941	0.3
307.05923	0.5
309.07590	4.0
319.05997	1.0
321.07541	4.8
322.08307	0.3
337.06943	0.4
349.07004	2.3
353.10144	0.7
363.21548	0.6
367.08130	5.9
368.08420	0.5
381.09662	21.3
382.10089	1.5
399.10751	1.1
399.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1417
Annotation	D 4476
Peak:m/z	Relative Intensity
55.05518	0.6
56.96560	0.4
57.20913	0.6
67.05502	0.6
69.03429	0.9
69.07081	0.6
69.51218	1.4
69.51572	1.1
70.06590	1.1
71.04984	0.7
77.54005	0.5
79.05479	1.1
81.03402	1.0
81.07057	1.7
84.08167	0.5
85.02928	1.0
86.09693	0.9
87.50498	0.6
91.05498	0.7
93.07046	1.7
95.04958	1.0
95.08619	0.7
96.06863	0.8
97.06556	0.8
98.13756	0.6
105.06265	0.5
105.07008	2.0
105.13266	0.5
107.08596	0.8
109.10139	0.6
111.04427	0.6
117.07025	0.7
119.08563	1.4
120.08100	1.8
121.10117	0.6
121.27515	0.6
125.07127	1.0
137.06013	0.7
145.10184	0.6
147.11688	1.2
149.09581	0.5
163.07481	0.6
171.07642	2.0
184.44328	0.5
187.03593	0.6
201.16351	0.7
202.06046	7.6
219.06239	0.7
219.10141	0.7
219.17500	1.3
296.53387	0.6
305.10773	0.5
355.08130	1.7
399.14120	100.0
400.14435	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62297	0.4
67.05501	0.5
69.07060	1.5
69.22011	2.5
70.06604	0.4
74.16903	0.4
81.07041	0.7
82.99507	0.4
92.29765	0.5
99.49861	0.5
119.08598	0.9
120.97780	0.5
126.24670	0.6
127.00030	0.6
143.03625	0.5
148.06062	0.4
168.99075	0.6
227.05293	0.9
243.04762	4.6
263.71487	0.5
271.04288	1.8
287.03729	13.6
289.05225	1.1
313.16208	2.0
355.17285	14.1
356.17618	0.7
398.26675	0.7
399.16220	100.0
400.16565	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.17232	0.3
55.01870	0.3
56.05032	1.1
68.05034	1.4
69.03421	0.5
69.56326	1.0
70.06586	0.8
79.05486	1.1
80.05005	0.3
81.03439	0.3
83.06081	0.4
84.04015	0.5
84.04501	8.0
85.02895	0.9
85.04848	0.4
91.05480	0.5
91.09805	0.3
94.06560	1.0
95.04979	0.6
95.06109	0.6
96.04462	0.3
96.06894	2.3
97.07675	2.2
98.07959	0.5
98.97562	0.3
103.05487	1.1
104.62665	0.2
106.06550	100.0
107.06874	2.3
108.08082	0.3
109.07658	2.2
110.07236	0.4
110.07961	0.7
110.72289	0.3
113.02324	0.4
114.05524	2.3
118.06535	2.9
120.49444	0.3
125.07099	0.6
126.10287	2.4
127.03890	0.6
127.10647	0.5
130.04984	0.8
130.06511	2.1
131.04922	3.0
131.07288	0.4
132.08041	0.4
142.04964	1.1
142.35947	0.3
144.08076	2.3
148.05122	0.4
153.06653	0.3
154.06522	0.8
160.07608	0.6
162.09096	1.9
163.07538	2.0
170.09235	1.2
171.09164	48.7
172.07594	4.4
172.09616	2.3
174.09119	0.4
189.10214	2.8
190.08632	2.5
190.10355	0.6
199.08601	0.4
200.07057	1.0
217.09714	34.7
218.08122	8.1
218.10022	1.3
219.08478	0.3
235.10760	73.6
236.11104	2.5
238.56772	0.4
252.17917	0.3
285.10117	0.4
355.24066	0.9
381.40887	0.3
398.22903	1.7
399.12378	0.9
399.17392	3.7
399.23068	13.6
400.23584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.82041	0.3
56.05033	1.4
57.64891	0.3
65.56575	0.3
68.05022	1.1
71.20951	0.3
75.23385	0.3
79.05496	1.3
84.04496	10.0
94.06597	0.9
94.30871	0.3
94.48832	0.4
95.04935	0.3
98.97585	0.5
106.06551	100.0
107.06882	2.2
114.05508	2.8
118.06528	3.3
130.05009	0.8
130.06529	2.4
142.05025	1.1
144.08064	2.6
154.06528	1.0
160.07590	0.4
162.09135	1.9
171.09164	47.9
172.07584	4.0
172.09702	2.0
173.10760	0.4
174.09192	0.5
189.10216	2.4
190.08669	2.2
200.07074	1.0
217.09714	35.2
218.08130	7.4
218.10112	1.2
235.10765	61.9
236.11081	2.5
292.39142	0.4
339.07535	0.6
340.31650	0.4
357.08640	0.5
370.91000	0.3
399.17746	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.1
68.05030	1.1
69.22243	0.3
70.05676	1.0
75.09559	0.4
79.05493	0.9
83.06928	0.3
84.04501	8.6
85.02894	0.9
85.04839	0.3
94.06582	1.0
97.07647	0.7
102.05538	0.6
103.05463	0.7
105.05938	0.4
106.06551	100.0
107.06892	2.3
109.07649	0.6
112.57461	0.4
114.05544	1.7
118.06551	3.2
126.10295	0.6
130.05006	0.9
130.06508	1.5
131.04935	2.5
131.07321	0.5
142.05013	1.1
144.08107	2.2
154.06534	1.4
158.05981	0.5
162.09134	1.7
163.07532	1.4
171.09163	45.2
172.07607	3.7
172.09581	2.0
189.10229	2.4
190.08589	2.0
199.08804	0.4
200.07089	0.7
217.09717	33.5
218.08119	7.6
218.10011	1.1
235.10762	67.8
236.11012	2.8
256.86151	0.4
398.22632	0.9
399.17538	4.1
399.23099	4.0
409.36050	0.4
419.00635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
68.05026	0.5
69.23008	0.3
70.02945	0.3
70.06587	0.6
70.64092	0.6
72.04517	0.6
74.02020	0.5
74.02435	9.4
78.43521	0.3
79.05489	1.0
81.07056	0.7
82.02950	0.4
84.04053	0.4
84.04525	0.4
85.02917	0.4
88.03986	1.1
91.05476	1.3
93.07048	1.1
94.06573	0.8
96.06898	0.8
97.07635	0.4
105.06990	0.4
106.06549	100.0
107.06245	0.4
107.06879	1.9
108.08083	0.5
109.06509	0.6
113.81366	0.3
115.05421	0.3
116.04979	0.9
118.05013	1.0
118.06504	2.5
119.05991	0.5
123.11735	0.4
124.07581	0.5
125.07117	1.1
130.03366	0.3
130.05003	1.3
130.06491	0.8
132.04466	0.4
132.08081	4.7
133.07603	1.0
134.06013	7.6
142.06487	1.0
144.08112	0.7
144.13750	0.3
146.06026	0.3
159.09177	2.8
160.07568	12.6
161.08041	0.4
162.05502	4.1
169.07600	7.8
170.06039	3.1
171.07649	3.0
171.09044	0.7
187.08656	12.9
188.07129	2.1
188.08684	0.5
197.07129	0.6
205.09712	3.1
206.08157	0.5
215.08191	1.7
219.17409	0.9
233.09192	16.7
234.07564	5.3
234.09573	0.6
251.10265	54.4
252.10542	2.1
399.11740	0.6
399.16663	1.1
399.21255	5.0
400.17017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02179	0.2
51.02401	0.5
53.03950	0.4
55.01877	0.4
65.03942	0.6
67.05510	0.4
70.05092	0.1
70.70269	0.2
71.08647	0.1
77.03918	1.8
78.04694	0.3
79.05495	5.4
80.05862	0.2
80.06274	0.6
81.07055	0.3
89.03924	0.1
90.04713	0.6
91.05483	5.9
93.03459	0.2
93.07038	0.7
95.04973	2.8
95.08623	0.3
98.22982	0.2
99.08103	0.3
102.04659	0.3
103.04964	0.1
103.05467	3.7
105.03414	2.1
105.04503	1.1
105.07034	4.6
106.04170	0.5
107.04958	7.9
107.08591	0.3
108.05753	3.3
109.06519	0.8
115.05450	2.6
117.07024	3.8
118.04154	0.3
119.04948	1.5
119.05797	0.2
119.06046	0.2
119.08555	0.8
120.05782	0.2
121.06509	6.2
123.04438	0.4
123.08067	0.8
124.05135	0.2
128.06224	2.1
129.07002	2.6
130.04152	0.5
131.04930	5.7
131.08569	0.6
132.05692	0.6
133.06497	13.5
134.06972	0.5
135.04416	100.0
135.07875	1.2
136.05266	5.4
137.05981	2.0
138.06766	0.4
139.07515	0.3
141.06969	0.5
142.07768	0.2
143.04926	1.0
143.05864	0.2
143.08554	3.6
143.09605	0.2
144.05711	0.5
145.06493	5.4
146.07271	6.4
147.04410	1.0
147.08064	4.2
147.09244	0.1
148.05199	0.3
148.08696	0.2
149.05988	6.2
149.07193	0.3
149.09610	0.6
150.06781	3.3
151.07544	98.2
152.07880	2.7
153.06996	0.3
153.09122	0.6
155.06015	0.3
156.05707	0.2
157.06470	2.9
158.07300	0.7
159.04384	0.5
159.08055	2.2
160.05235	0.7
160.08852	1.9
161.04906	0.1
161.05975	5.2
162.06769	4.6
163.07549	9.9
164.08347	2.8
165.09122	9.8
165.12778	0.4
166.09454	0.4
166.70084	0.1
167.08496	0.2
169.06453	0.4
171.08040	4.3
172.05165	0.3
172.08800	1.3
173.05989	6.3
173.09543	0.5
174.06778	1.3
174.10411	0.2
175.07549	3.1
176.08339	1.4
177.05547	3.8
177.09108	25.2
178.06233	1.0
178.09456	0.9
179.10669	11.4
180.11096	0.3
185.05956	0.5
186.06735	0.5
186.10423	1.1
187.07538	6.5
188.08321	3.2
189.09114	4.8
190.09680	0.5
191.07047	0.5
191.10670	4.5
193.08603	7.1
194.08920	0.4
195.08136	0.2
195.10139	0.4
199.07527	0.6
201.09108	9.1
202.09862	2.2
203.10666	8.7
204.11055	0.5
205.08563	0.3
205.12250	0.4
207.10178	0.4
213.09311	0.2
215.10649	1.0
216.09299	0.2
217.08694	0.2
217.12228	4.8
218.12566	0.3
221.11678	0.5
225.09135	0.2
235.11247	0.2
241.12155	0.2
246.10228	0.1
247.07503	0.2
247.11182	0.3
259.11124	0.2
261.09076	0.2
261.22159	0.2
263.10614	0.4
267.06470	0.2
275.10638	0.3
277.12164	0.3
278.12943	0.8
279.10367	0.2
279.13733	0.3
282.08969	0.2
287.10660	0.2
289.12222	0.1
289.21576	1.4
290.09451	0.2
290.13007	0.2
291.10059	0.2
292.11078	0.1
293.11844	0.3
294.12708	0.3
296.14130	0.2
302.09381	0.1
303.10455	0.3
305.11810	0.2
305.15265	0.3
306.12637	0.2
307.13275	1.1
307.22760	0.2
308.13956	0.5
309.11307	0.1
309.14795	3.2
310.15186	0.2
311.16348	0.2
317.11639	0.2
321.11365	0.2
321.14825	1.1
324.13547	4.5
325.13919	0.4
331.13113	0.2
332.13953	0.5
333.11142	0.2
333.14661	0.3
334.11899	0.2
335.12628	0.2
337.14331	1.1
339.15912	10.0
340.12744	0.2
340.16254	0.7
348.13455	0.3
355.15292	0.6
357.17023	0.4
363.15933	1.7
363.25513	0.2
370.85596	0.1
381.16934	1.3
381.26239	0.6
399.17911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
57.03426	1.0
67.05488	1.2
69.03430	0.6
69.18694	0.3
69.40965	1.4
69.41310	0.6
70.06592	1.8
71.04988	0.5
72.08116	0.6
73.02906	0.5
79.05477	1.5
81.03400	1.0
81.07053	1.5
82.41149	0.3
83.04958	0.4
83.08607	0.3
85.02900	2.5
86.09686	1.6
91.05479	1.0
93.07037	0.6
95.04959	0.8
95.06068	1.9
95.08594	0.8
96.06870	17.4
97.02891	1.0
97.07160	0.5
97.07664	5.1
98.55563	0.3
105.07011	0.9
106.06550	3.1
109.07630	0.8
109.10136	0.5
116.07077	0.5
123.09229	0.6
125.07111	25.6
126.07439	0.3
127.10728	0.3
133.10048	0.4
134.08420	1.1
145.05016	0.4
147.11685	0.5
153.06601	0.5
163.08629	0.9
171.07640	57.2
172.08000	1.6
173.11739	0.7
183.14919	0.4
193.12300	0.3
202.11563	0.5
209.09232	2.3
233.09215	0.7
245.08032	0.5
251.10249	1.2
269.62772	0.4
353.20706	4.2
354.20895	0.3
381.20230	0.5
399.21222	100.0
400.21347	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
56.96563	0.4
57.03430	1.0
64.45820	0.4
67.05499	2.3
68.05013	0.5
69.07063	0.7
69.58553	1.1
70.06594	1.9
71.04978	0.5
72.08161	0.9
79.05476	1.2
81.03422	1.4
81.07047	2.3
83.08629	0.6
85.02906	3.0
86.09690	1.2
91.05467	1.2
93.07037	1.1
95.04968	0.9
95.06095	2.3
95.08614	0.9
96.06868	20.8
97.02878	0.6
97.06615	0.5
97.07145	0.7
97.07664	6.0
100.11262	0.6
105.07024	1.3
106.06573	1.1
107.08598	0.7
109.07646	2.5
109.10162	1.5
111.04433	0.5
116.07091	0.5
118.63129	0.3
119.08568	0.6
121.10118	0.6
125.07111	29.0
126.07496	0.4
126.10280	1.1
133.10086	0.4
140.06821	0.4
142.25929	0.4
147.11624	0.6
153.06613	0.6
158.32173	0.4
170.09247	1.4
171.07642	64.5
172.07951	1.7
173.09232	0.5
201.09436	0.5
219.10509	0.5
235.10776	0.6
252.82210	0.4
256.51935	0.4
279.08417	0.5
320.00970	0.4
353.20508	2.5
377.42154	0.4
381.20038	0.6
382.23291	1.7
399.12744	7.5
399.16556	6.8
399.21176	100.0
400.13013	0.7
400.20978	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.1
55.05505	27.3
55.26218	6.6
67.05518	40.9
69.03417	8.2
69.07072	21.3
69.54487	25.8
71.04992	19.4
79.05487	41.7
81.07049	100.0
83.08635	13.7
85.02913	25.7
91.05479	34.3
93.07057	67.0
95.04957	16.8
95.08602	71.1
97.02946	6.4
97.06530	20.4
105.07016	71.0
107.08597	63.6
108.08935	6.7
109.06474	8.7
109.10167	47.3
117.07000	14.8
119.08598	57.7
121.06507	9.2
121.10157	35.6
123.08096	9.0
123.11724	12.3
129.05519	7.4
130.07774	9.2
131.08582	31.5
133.10124	29.7
135.11665	33.7
137.09570	8.7
144.09375	8.1
145.10118	72.3
147.11691	12.6
149.09621	6.5
149.13229	46.9
159.11690	56.1
161.13248	41.7
163.11195	16.4
163.14828	22.4
173.13286	19.1
175.14862	10.0
191.17917	13.1
201.16380	82.5
202.16600	7.2
219.17491	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37222	1.5
53.03928	2.6
55.05521	8.5
56.47572	2.0
57.03443	1.8
59.04991	1.7
62.16162	1.5
66.96551	1.7
67.05505	15.2
69.03413	3.7
69.07065	7.1
70.70107	1.9
70.70442	2.0
71.04984	6.3
77.03953	1.6
79.05495	19.3
80.05849	1.8
81.07056	100.0
83.08613	4.3
85.02920	4.7
91.05463	10.9
93.07048	33.4
95.04984	3.4
95.08607	18.3
97.02946	1.6
97.06561	3.8
102.33907	1.6
105.07027	29.5
107.08593	24.8
109.02892	1.8
109.06511	6.4
109.10149	16.7
111.08104	5.9
117.06995	4.5
119.08555	23.8
121.10146	23.0
123.08089	6.1
123.11761	3.5
125.09620	3.5
129.07060	2.5
130.07828	2.2
131.08545	10.4
133.10138	18.3
135.08043	3.1
135.11691	4.6
137.05992	2.1
137.09621	4.4
143.27888	1.7
145.10101	22.0
147.11707	5.9
149.09628	4.4
149.13234	4.2
151.11206	6.9
159.11707	18.3
161.13255	6.8
163.11191	17.0
165.12749	2.6
171.09268	1.6
173.13268	6.3
175.14867	2.5
177.12700	4.3
198.88510	1.7
201.16385	19.8
219.17377	11.7
229.07469	2.7
287.24527	1.8
321.11160	2.0
355.08099	3.0
360.35446	1.7
377.31158	1.7
399.21213	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.8
51.02364	0.8
53.03941	3.0
55.01863	1.6
55.04589	0.6
55.05513	8.4
57.03423	1.2
57.07072	1.4
59.04988	1.3
61.02902	1.0
65.03924	1.4
67.05500	19.2
69.03425	3.2
69.07063	7.7
70.06583	1.1
71.04993	3.8
71.08629	1.1
71.46204	0.8
72.08134	0.9
77.03918	1.3
79.05490	26.1
81.07052	100.0
82.07369	1.7
83.04970	3.2
83.08619	3.3
85.02895	3.5
85.06525	2.1
91.05472	15.1
93.06441	1.6
93.07037	32.3
93.90564	0.7
95.04980	4.6
95.08598	24.1
97.02893	2.0
97.06542	3.1
99.08096	0.7
105.04524	1.3
105.07022	27.4
107.04960	1.0
107.08585	26.5
109.06522	6.3
109.10152	19.1
111.08060	7.4
113.10818	1.1
115.05347	1.1
116.98560	0.8
117.07012	4.2
119.08573	26.2
120.08886	0.9
121.06502	1.9
121.10137	20.8
123.08064	8.6
123.11692	4.3
125.09621	2.2
127.07578	0.8
129.07036	1.2
130.07802	2.2
131.08553	10.3
133.10126	17.4
135.08083	3.5
135.11688	5.5
137.09618	6.0
143.08546	1.0
144.09390	1.7
145.04942	0.8
145.10114	25.8
146.10507	1.5
147.11697	7.6
149.09546	4.3
149.13251	4.2
151.11147	5.4
153.01749	1.0
157.10120	1.7
158.83876	0.6
159.11690	19.2
160.12149	1.2
161.05966	0.8
161.13239	7.2
163.11180	17.4
164.11653	0.9
165.12773	3.4
171.07635	1.0
172.64438	0.8
173.13223	5.1
174.74947	0.8
175.14848	3.3
177.12770	3.2
177.16386	1.6
191.14290	0.8
201.16367	21.2
202.16809	1.1
219.17430	13.5
220.17751	1.2
237.14912	1.0
355.07996	3.9
399.10513	1.1
399.20081	2.1
400.23819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62548	2.7
55.01884	3.2
55.05508	18.6
57.03435	5.8
57.07069	3.9
61.02926	5.0
65.03952	3.5
67.05508	26.7
69.03442	27.7
69.07066	16.2
69.55371	9.1
71.05000	6.0
72.08173	6.5
73.02908	3.6
79.05499	24.2
81.03417	7.1
81.07063	55.1
83.04980	12.2
83.08634	6.1
84.05332	3.2
85.02917	24.7
85.06541	6.4
91.05480	24.0
93.07049	48.1
94.51418	3.0
95.04970	6.8
95.08619	38.2
97.02891	12.1
97.06541	9.3
99.08118	14.5
100.85023	2.5
101.05965	2.8
105.07032	34.4
106.06569	4.6
107.04974	4.0
107.08599	48.0
109.02866	4.7
109.06523	11.2
109.10162	23.6
111.08090	5.8
113.09652	30.9
117.07065	6.3
119.08591	21.7
120.08139	4.0
121.06529	6.6
121.10173	33.9
123.08091	4.3
123.11696	4.8
125.09629	8.3
127.03903	6.7
131.08571	11.7
133.10118	11.7
135.11710	8.5
136.07610	4.4
137.05971	4.6
137.08304	8.8
138.08679	4.4
139.11217	11.2
141.09145	4.0
142.11497	3.0
145.10115	43.2
147.11697	12.9
149.09586	5.5
149.13289	9.6
151.11194	12.3
153.01834	8.2
154.08749	3.7
157.10135	3.9
159.11694	27.0
161.13283	15.8
163.11166	8.7
163.14822	4.9
171.07721	4.6
173.13278	6.4
181.04988	7.2
182.23944	3.5
186.03130	4.5
201.05338	5.5
201.16389	29.8
202.16768	3.1
204.06111	3.1
204.07629	29.3
207.06548	3.5
219.17455	47.6
237.18486	9.7
254.13866	5.6
255.11745	3.2
255.14342	8.8
337.06598	3.8
355.08112	11.9
367.07977	10.6
369.13123	10.6
370.13806	3.1
381.09610	6.1
399.14120	100.0
399.22049	70.3
400.14511	10.0
400.22348	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	50.4
56.70189	3.1
57.07075	11.0
60.04532	19.8
61.04895	3.1
67.05504	28.5
69.06706	6.0
69.07064	84.0
71.08622	5.4
72.04515	7.5
78.38100	3.4
79.05494	15.2
81.07049	44.2
83.08620	25.4
87.04439	6.1
88.02214	4.4
91.05482	8.3
93.07034	22.8
95.08607	35.7
97.06608	3.3
97.10149	20.4
99.08072	6.7
105.01833	3.2
105.07016	16.5
107.08573	11.6
109.10168	19.6
109.13051	3.6
111.08060	3.9
111.11716	18.0
119.08549	9.3
121.10132	20.1
123.11686	9.6
125.09627	4.7
125.13273	5.9
133.10112	13.0
135.11720	17.2
137.13235	4.2
139.11168	6.4
147.11656	10.9
149.13272	6.9
151.14883	4.5
161.13242	10.5
163.14713	5.5
165.12761	6.1
175.14754	4.1
193.19551	6.1
217.19481	18.2
235.20569	20.8
253.21593	25.1
263.23672	8.0
271.22757	6.1
314.14853	3.8
346.95639	3.2
349.23795	4.4
367.25143	3.6
386.55963	3.6
399.25751	7.7
399.30865	100.0
399.36502	9.5
400.31125	9.5
400.37802	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05503	0.9
56.05021	1.7
57.03419	2.4
57.07067	0.6
59.04991	0.9
61.02907	2.6
67.05495	3.1
68.05017	1.6
69.03424	3.8
69.07059	2.5
70.06564	1.6
71.04980	2.1
72.08171	1.2
72.63155	0.5
73.02915	6.0
79.05482	2.2
80.05009	1.3
81.03407	1.5
81.04512	1.6
81.06695	0.5
81.07057	5.1
82.05315	1.2
83.06105	12.4
83.08643	0.8
84.39024	0.5
85.02900	10.3
86.09700	2.4
87.00822	1.1
89.89125	0.6
91.03963	0.7
91.05460	1.8
93.04523	6.6
93.07043	2.7
95.04961	1.5
95.06091	15.8
95.08587	1.4
96.06867	1.7
97.02882	4.7
97.06522	0.8
102.67555	0.5
104.65991	0.5
105.01858	0.9
105.07037	1.3
107.06075	3.9
107.08573	1.4
109.02869	1.4
109.06496	1.7
109.07610	1.2
109.10155	1.3
110.07160	100.0
111.05572	1.7
111.07495	1.5
112.08714	3.7
113.07092	0.8
115.03927	2.7
116.07067	0.9
117.07014	0.8
119.06032	1.2
119.08601	0.6
120.05589	2.3
121.06543	0.6
121.07635	2.5
121.10114	0.8
123.04408	0.5
123.09219	0.7
125.07063	1.0
127.03920	4.3
131.08600	0.6
133.10101	1.2
135.11737	1.1
136.07579	1.0
143.13284	0.6
145.04941	6.0
145.06573	0.8
155.14188	0.6
156.07678	15.5
163.06058	2.5
166.06108	1.9
167.07036	0.8
171.07701	2.4
172.07912	0.8
177.12822	0.8
195.10226	0.5
195.13795	1.0
230.17630	0.7
259.18082	6.7
277.19104	25.9
278.19464	1.7
304.20172	4.0
315.17072	0.7
322.21234	17.2
324.22702	1.2
330.11090	0.7
333.18149	1.2
350.20776	4.0
354.23990	2.1
368.21783	43.3
369.22156	2.3
382.23422	2.0
383.14838	0.7
400.24533	76.6
401.18240	1.3
401.24921	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.05513	17.7
57.03449	2.6
60.65598	2.6
67.05504	20.8
69.03426	5.7
69.07073	23.1
69.12435	2.7
71.04995	3.6
71.09044	2.6
71.46883	2.4
79.05494	17.8
81.03429	9.2
81.07053	19.1
83.08621	9.1
91.05463	15.9
93.07039	18.5
95.04979	8.4
95.08616	9.6
97.02866	4.8
97.06509	3.8
97.10174	11.6
105.07051	9.9
107.04985	7.4
107.08621	13.8
109.10170	3.6
117.07026	4.3
119.08566	7.6
121.06552	3.0
121.10168	5.0
123.08167	4.1
125.09638	11.9
129.06985	3.6
143.08539	4.0
145.10165	4.7
147.08073	3.5
151.07590	7.8
159.11855	2.8
165.09099	3.9
181.08635	18.1
189.11333	5.0
223.13376	16.7
255.17358	3.9
273.18524	10.1
288.15695	3.1
291.19534	100.0
292.19876	6.6
365.23254	67.3
366.23334	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.1
55.05523	19.3
57.03444	20.0
67.05505	67.0
69.03423	7.5
69.07079	19.1
71.05006	9.1
76.46190	6.5
79.05504	40.2
81.03440	8.7
81.07061	95.8
83.04989	22.2
83.08631	13.4
85.06544	9.0
90.96261	7.1
91.05493	75.6
93.07062	37.2
94.82111	6.6
95.04993	18.0
95.08615	19.1
97.06536	10.4
99.04458	7.9
105.07034	73.0
107.04957	13.5
107.08595	49.1
109.06565	16.5
109.10152	88.9
117.07055	11.2
119.08597	16.7
121.10130	11.7
123.11731	19.6
131.08592	18.4
133.06480	10.0
133.10139	100.0
135.08043	8.9
137.05952	6.9
138.18375	6.7
143.08545	7.2
145.10081	12.3
147.08037	10.4
147.11627	7.1
149.06076	7.4
149.09644	15.3
151.07574	21.5
151.11192	49.7
161.09601	10.7
167.07196	6.9
169.12320	9.3
171.11739	8.5
172.93893	6.4
177.09077	11.8
181.08577	44.2
207.10281	8.5
215.12720	8.1
226.27463	6.9
235.13089	7.1
245.19032	6.6
247.89082	6.4
253.14366	62.6
269.13766	8.7
271.15424	66.2
273.18442	39.3
291.19479	32.7
321.61227	7.1
334.64520	6.7
365.23294	65.4
400.18512	16.8
401.19116	7.1
412.83875	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.2
57.07066	2.9
60.52132	1.4
60.76186	1.3
67.05502	3.9
69.07066	8.1
69.29706	6.8
70.06582	6.6
71.08626	6.6
73.27985	1.3
73.66200	1.3
77.81969	1.4
79.05491	1.9
80.21170	1.4
81.07042	5.4
83.08620	5.3
87.04459	3.9
88.07640	11.2
93.07036	3.4
95.08583	3.4
97.06525	2.1
97.10181	2.7
99.08078	5.6
101.05997	2.1
102.09175	3.6
107.08578	3.0
109.06514	1.7
109.10148	2.9
121.06506	4.0
125.09608	2.1
163.07768	1.9
171.13806	100.0
171.75302	1.5
172.14172	3.0
177.12741	9.4
214.80270	1.9
219.13789	3.1
225.18564	1.9
338.34195	13.3
400.29099	3.2
400.33252	2.7
400.37930	43.7
401.26517	5.0
401.38052	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40482	1.3
55.05511	16.6
56.05052	1.6
57.03434	2.8
57.07076	8.8
60.21056	1.5
61.54311	1.4
67.05504	11.2
69.07068	17.5
70.06586	11.5
71.05001	1.6
71.08626	11.9
73.99970	1.5
74.04726	1.3
79.05496	5.6
81.07053	13.6
83.04979	2.3
83.08617	12.8
85.06532	1.8
85.10204	1.4
87.04470	17.4
88.07628	32.0
91.05509	2.5
93.07053	7.6
95.08587	10.8
97.06552	4.1
97.10191	3.5
99.04444	12.0
99.08085	9.0
102.09188	12.9
102.27306	1.3
105.07061	2.8
107.08618	5.5
109.06555	2.8
109.10161	6.8
111.08103	4.3
119.08611	2.1
121.10126	3.6
123.11748	1.7
132.10234	1.9
133.10139	2.0
135.11710	2.3
147.11757	2.8
149.13226	9.6
150.11307	2.3
161.13297	2.4
167.14349	4.2
170.48909	1.7
171.13799	51.9
173.84784	1.7
195.13821	2.6
200.20065	2.2
207.17404	1.9
225.18480	44.3
225.20528	2.7
226.18941	2.5
227.20081	2.9
231.15813	8.5
243.19676	4.2
249.18527	9.3
256.26477	5.1
263.20197	2.6
267.19547	15.6
271.15323	1.9
284.68381	1.7
338.34064	25.7
338.37781	1.7
347.25723	11.1
365.26944	4.2
365.60983	1.7
382.36777	1.6
400.37958	100.0
401.26572	1.7
401.38281	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.2
56.05034	8.9
57.03443	0.9
57.07076	6.7
58.06606	0.8
60.04528	100.0
67.05513	5.7
68.05046	0.8
69.07076	7.9
70.06592	4.4
71.08646	3.0
72.04519	2.2
74.06078	5.1
79.05504	3.1
81.07071	5.7
82.06604	1.3
83.05032	1.0
83.08620	5.5
85.10182	2.0
86.06070	2.3
86.43729	0.6
87.04439	0.9
88.07635	7.5
90.05569	1.3
93.07054	2.8
95.08608	5.4
96.08154	0.9
97.10191	2.9
100.11255	2.0
102.09177	3.4
103.29871	0.6
107.08613	1.4
108.08128	1.1
109.10172	2.6
121.10187	1.3
132.10324	0.9
133.10139	1.0
135.11740	1.5
142.12323	1.5
144.13843	35.1
145.14267	1.0
167.55313	0.8
252.26891	2.0
254.28448	2.1
264.26953	2.6
265.25253	1.4
270.27985	4.9
282.27908	23.9
283.28168	1.5
300.28976	43.7
301.29376	2.2
338.34167	6.4
340.47339	0.7
382.36755	2.8
400.37875	79.7
401.26840	1.7
401.38248	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1573
Annotation	Asn Met His
Peak:m/z	Relative Intensity
55.05495	0.7
67.05490	0.8
69.03427	1.2
70.06581	1.1
71.46848	0.6
72.08138	1.6
74.59346	0.6
78.52586	0.6
79.05488	1.5
80.79842	0.6
81.03406	1.1
81.07048	1.6
83.04993	1.2
85.02903	1.0
85.06557	0.6
86.09695	2.3
91.05478	1.1
93.07054	3.0
93.26617	0.7
95.08597	0.9
96.06863	2.7
105.07017	1.0
107.08584	1.7
109.06519	1.5
109.10107	0.8
115.37788	0.6
119.08601	1.3
121.10146	0.8
123.04452	1.1
125.07158	2.9
133.10045	0.9
135.11697	1.7
143.11794	0.8
147.11624	0.9
165.01801	1.1
171.07663	6.7
177.31139	0.6
204.07591	4.2
231.17049	0.7
239.83476	0.7
281.13843	1.8
383.21552	4.0
401.15671	100.0
401.22275	4.7
402.15994	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
51.81914	1.4
55.05513	2.5
55.38646	1.6
63.49745	1.6
69.03419	3.5
69.24451	7.6
69.24866	3.5
71.62453	1.6
72.08161	2.1
77.03869	1.8
79.05483	9.3
81.07046	2.6
89.05995	1.5
91.05484	5.4
95.04996	2.7
96.06858	3.5
98.22688	3.4
107.04946	28.0
111.92918	1.6
115.05470	4.5
123.04449	2.1
124.05201	4.3
125.07109	8.0
129.07005	6.3
131.08572	10.7
139.11211	4.7
141.06975	5.1
144.05698	6.6
145.06477	5.1
152.04681	2.0
153.05545	2.1
156.05679	11.4
157.06444	5.3
158.07281	2.8
159.08084	14.1
167.07040	64.2
169.06424	3.3
170.07458	1.9
171.07643	14.9
173.06000	3.6
179.07050	2.4
184.05153	2.8
186.06763	4.9
187.07562	9.2
190.07693	2.9
191.06958	2.8
191.08528	3.9
201.09109	3.7
202.06198	3.9
202.07846	2.8
205.06645	3.6
205.08612	7.7
207.04024	1.6
207.06409	3.2
208.05165	18.2
208.08868	3.3
209.05956	2.4
217.08582	22.2
218.07297	4.2
219.08061	15.0
219.10205	5.1
220.08739	5.3
221.05942	6.0
222.06776	2.3
229.08600	11.9
230.07091	3.6
231.08078	8.3
231.10117	3.0
233.09587	6.8
234.06700	3.6
235.07529	4.9
236.04662	4.0
236.08354	5.4
239.06941	3.6
245.09686	2.9
247.07510	16.4
247.09706	21.7
248.08151	12.5
249.05545	3.1
249.09030	4.2
250.06267	2.3
251.10609	2.1
254.05719	6.5
255.06300	2.7
258.06744	2.4
259.07474	4.3
260.08160	2.0
261.05478	2.0
261.09137	6.0
262.06235	2.2
262.09906	3.4
263.06982	3.3
263.10638	9.6
264.07797	12.1
264.10532	2.2
265.08527	9.1
267.06519	6.7
268.13419	2.2
269.08090	16.3
271.09662	7.0
272.06702	3.0
275.06992	7.7
276.07834	8.7
277.05295	2.4
277.08658	6.3
278.05862	2.1
278.09076	2.7
279.06836	2.8
279.10150	11.3
280.07416	2.2
280.11057	2.3
281.08246	5.0
282.05576	3.2
282.08862	10.4
284.06778	2.0
287.09085	2.1
290.09299	7.4
291.06836	3.3
291.10168	22.2
292.07269	3.9
293.08054	12.8
294.08740	3.3
295.05969	3.1
299.09235	3.0
301.07214	2.8
305.08017	5.0
307.09680	15.1
308.10400	10.4
309.07523	3.6
309.10721	2.6
310.08405	6.6
311.12827	3.1
315.08615	59.8
316.09216	5.1
319.09570	9.0
320.10303	2.8
321.07587	3.7
321.11139	2.8
322.08435	2.8
323.09308	2.9
323.12805	13.1
324.09769	2.6
324.13181	2.0
325.10657	2.4
328.09308	4.3
330.10959	64.5
331.11618	11.8
336.09772	5.1
337.10950	8.3
338.07690	2.8
339.12393	8.6
343.11856	15.0
351.12256	27.1
352.12869	6.9
353.09967	8.5
356.12445	2.5
368.12549	14.0
369.13184	4.4
371.14960	4.8
383.14868	100.0
383.21823	8.4
384.15176	6.9
401.16644	29.5
401.22760	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
67.05504	1.2
69.03417	0.6
69.07047	0.7
70.06586	0.5
76.78432	0.4
79.05482	1.2
81.07046	2.6
91.05489	1.6
92.36787	0.4
93.07034	1.4
95.05001	0.5
95.08621	2.0
105.07034	3.0
107.08588	1.7
109.02886	0.4
109.06491	0.5
109.10165	1.4
119.01927	0.5
119.08602	1.8
121.06438	0.5
121.10139	1.0
133.10170	0.9
135.62505	0.5
136.05128	0.4
137.05974	0.6
144.00877	0.4
147.11684	1.3
151.07553	0.5
161.13361	0.5
165.09114	0.6
167.07053	0.5
177.09084	0.4
181.05002	0.9
185.04300	0.4
190.42952	0.5
193.08614	0.7
197.08139	1.4
203.17949	2.0
227.05350	1.1
271.04135	1.4
289.05228	0.7
315.17700	1.4
339.17679	0.5
357.18839	16.2
358.19183	0.8
401.17813	100.0
402.18155	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.01871	18.8
55.05511	19.6
57.03442	12.4
57.07068	3.5
59.88568	2.1
61.02923	9.9
65.03937	5.4
67.05504	39.2
68.99799	8.2
69.03429	64.2
69.07069	15.0
69.15208	15.1
69.23975	2.2
70.06596	7.0
71.01366	4.0
71.04997	16.8
72.08147	8.2
72.98332	2.2
73.02902	5.2
77.03902	4.0
78.12601	2.4
79.05495	56.1
81.03419	58.1
81.06569	4.8
81.07053	87.9
83.04980	17.6
83.08620	3.2
85.02905	54.2
85.06541	9.1
86.09702	15.1
86.71861	2.2
87.00819	23.5
87.04483	3.1
91.05480	49.1
93.07043	95.9
94.07372	3.5
95.01321	7.0
95.04973	39.7
95.08606	32.5
95.16365	2.4
96.06866	3.8
97.02890	27.7
97.06519	17.4
99.04465	17.6
101.06023	5.8
103.03967	11.3
103.05475	5.2
105.01871	16.5
105.04518	4.9
105.07035	57.3
107.04980	16.9
107.08594	100.0
108.08911	2.6
109.02865	13.2
109.06514	48.2
109.10162	27.1
111.04462	11.6
111.05565	3.6
111.08064	6.6
113.06010	5.9
115.03947	10.6
115.05436	4.5
117.07022	14.7
119.04949	4.9
119.08578	95.1
120.08149	5.2
120.08931	3.4
121.02827	2.9
121.06503	12.4
121.08439	5.1
121.10143	48.5
123.04426	99.3
123.08086	11.4
123.11721	6.2
125.06004	9.2
125.07106	10.3
125.09642	2.9
127.03927	20.2
127.07571	3.3
128.06239	5.0
129.01833	8.8
129.05542	3.8
129.06990	8.2
130.07791	4.6
130.83463	2.3
131.04854	3.0
131.08536	18.4
133.06496	5.0
133.10129	24.8
135.08051	8.7
135.11691	55.6
137.05968	5.8
137.09581	12.1
139.03902	2.5
141.05464	14.1
141.07002	4.1
142.07796	6.1
142.55951	2.1
143.08574	13.8
145.04967	7.3
145.06516	6.5
145.10136	41.2
147.02884	5.3
147.08026	6.8
147.11694	14.4
149.05995	10.5
149.09618	15.4
149.13264	4.8
151.07520	31.2
151.11215	11.6
151.12276	2.2
153.06961	2.7
153.12743	15.2
155.07071	5.6
155.08572	7.9
156.09267	3.4
157.10118	27.7
159.02954	5.8
159.08061	10.9
159.11690	27.8
161.05991	4.0
161.09631	5.2
161.13292	4.9
163.07535	3.0
163.11140	11.0
165.12791	3.4
167.07050	29.8
167.10680	4.5
169.08665	6.5
169.10132	6.0
170.07263	3.3
171.02928	2.6
171.07698	18.6
171.11702	10.0
173.09525	4.8
173.13376	3.9
175.07620	4.1
175.11160	16.8
175.46159	2.7
177.05437	3.0
177.12798	9.6
179.07056	22.4
181.08662	3.4
181.10141	2.9
181.12189	5.7
183.06482	3.2
183.11693	9.8
185.09576	3.1
187.07533	3.7
189.03897	11.2
189.09140	2.8
189.12726	6.1
192.09364	3.6
193.98615	2.6
197.08113	11.5
197.13297	11.6
201.03859	2.7
201.09079	4.2
201.12791	7.9
202.72302	2.7
203.10716	5.7
205.12231	6.5
207.11708	6.0
207.13760	2.9
215.14203	4.8
217.08612	6.7
217.61919	2.4
219.08058	5.1
219.10143	8.9
219.13840	7.5
223.09729	3.1
225.12709	12.9
231.04930	3.0
231.08104	2.9
231.10118	5.4
233.10014	2.6
233.15443	5.6
237.14786	3.6
239.12749	3.9
243.13760	16.9
246.06993	2.4
248.08226	3.0
255.08624	3.5
257.10303	2.8
261.14859	15.9
269.08072	3.2
277.08701	3.4
279.10022	3.1
279.15887	2.6
281.13708	3.2
282.08655	3.4
291.10214	5.6
293.08252	2.6
301.09256	5.9
307.09589	4.6
315.08679	7.6
321.12979	4.4
325.10376	2.8
330.10916	12.2
336.10049	2.8
343.11816	3.4
347.14584	3.8
351.12164	4.4
365.15939	8.6
369.13507	5.6
369.24481	4.2
383.16486	13.6
383.21768	4.6
401.15442	45.9
401.22647	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55782	0.4
69.45421	1.9
79.05507	0.4
81.07056	0.7
88.50079	0.4
107.08572	0.5
111.89464	0.4
114.58875	0.4
135.04439	1.8
137.05972	2.4
141.55084	0.4
159.11635	0.4
185.04266	0.5
308.55276	0.4
313.16205	11.2
357.18506	0.4
401.21481	100.0
402.21835	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
55.32537	0.4
67.05502	1.7
67.46477	0.5
68.05022	0.4
69.07059	0.8
70.06599	2.4
71.04971	0.9
71.46381	0.4
72.08135	1.5
73.76939	0.4
79.05482	1.5
80.47634	0.4
81.03419	0.5
81.07066	3.4
83.04981	0.9
83.08614	0.9
84.08156	0.5
86.09685	1.0
88.29395	0.4
91.05474	1.6
93.07049	1.7
95.05003	0.5
95.06087	2.8
96.06871	31.2
97.06562	0.6
97.07155	0.4
97.07672	3.7
100.79354	0.4
105.07017	1.3
107.08554	1.0
108.92979	0.4
109.07631	0.7
109.10182	0.5
111.08040	0.5
117.07030	0.5
119.08582	0.5
123.07935	0.5
125.07112	43.0
126.07435	0.9
126.20477	0.4
131.08549	0.6
133.10144	0.4
135.11736	0.7
151.11272	0.4
153.06587	1.0
156.05803	0.5
156.74355	0.5
159.07997	0.5
159.11716	0.6
163.07503	0.4
167.06987	1.2
168.77690	0.5
171.07640	100.0
172.08034	2.3
173.09212	0.4
177.05530	0.8
199.79828	0.4
217.08633	0.8
219.08157	0.6
247.07430	0.5
251.75229	0.5
265.08371	3.3
270.87085	0.5
275.08823	0.5
279.10172	0.5
291.09885	0.9
315.08490	0.7
322.14117	5.9
323.12796	0.5
330.10809	0.7
330.64090	0.5
337.21176	1.5
366.02213	0.5
383.14154	1.3
383.15775	1.6
383.21729	52.2
384.22128	4.2
401.17740	7.9
401.22736	75.8
402.18097	0.8
402.23141	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.05512	18.1
57.07066	6.3
60.04523	33.9
61.04874	3.0
65.03960	3.7
67.05504	25.2
69.07070	24.4
69.88231	9.4
70.06580	5.6
71.05004	16.6
79.05495	25.9
81.07059	33.7
83.08624	7.4
88.07663	4.9
91.05484	51.0
93.07050	62.5
95.04979	14.6
95.08611	24.2
97.06520	3.1
97.10197	4.7
103.05456	4.6
105.07032	95.7
107.08596	46.2
109.06517	65.0
109.10143	20.9
111.08073	10.9
115.05454	6.6
116.06240	4.5
117.07037	29.3
119.06100	3.7
119.08585	90.4
121.10151	23.5
123.08125	4.9
128.06203	13.4
129.07021	23.1
130.07797	5.8
131.08575	69.3
132.09288	2.9
133.10126	95.9
135.08064	21.0
135.11722	19.5
137.09570	8.2
141.07030	9.7
142.07790	25.1
143.08566	44.2
144.09297	9.4
144.13824	8.8
145.10127	100.0
145.14162	3.9
147.08092	9.2
147.11673	17.2
149.09592	7.2
153.07028	4.7
154.07687	4.2
155.08549	20.4
156.09352	23.0
157.10132	73.8
158.10837	12.3
159.11713	40.1
161.09642	6.2
161.13269	4.0
165.06990	7.5
167.08548	11.2
168.09319	9.4
169.10124	27.2
170.10915	9.2
171.11702	31.9
172.12456	5.2
173.13295	46.5
175.14847	20.2
179.08574	11.4
180.09305	10.4
181.10103	15.4
182.10889	7.4
183.11691	23.2
184.12303	4.7
185.13269	14.3
187.14815	45.2
188.15242	3.5
192.09422	4.7
193.10107	10.3
194.10960	9.0
195.11702	23.3
196.12541	6.8
197.13290	16.6
199.14862	25.2
201.12706	5.9
201.16425	5.6
206.10864	7.1
207.11717	13.0
208.12474	6.3
209.13268	26.7
211.14798	9.9
213.12717	6.8
219.11693	5.5
221.13306	19.2
222.14064	6.2
223.14796	11.1
225.16347	5.9
227.14235	5.1
234.14078	4.0
235.14842	4.0
236.15558	6.0
237.16327	5.2
245.13170	3.4
247.14694	4.9
249.16269	6.1
251.18073	7.3
252.18643	4.3
253.19412	4.4
255.45822	3.1
259.14731	4.5
261.16403	4.8
262.17230	3.3
263.18143	5.4
265.19586	7.9
266.20193	3.6
273.16440	3.6
277.19333	4.8
283.28378	3.7
283.49539	3.5
300.28751	5.4
301.29294	9.7
400.37723	5.5
401.13370	4.8
401.17987	5.0
401.27835	36.7
401.38095	24.6
402.39154	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
64.05838	3.3
65.03931	3.9
67.05500	8.0
69.07068	13.6
69.79340	11.8
70.06595	4.2
71.04985	13.1
79.05489	13.9
81.07059	18.5
83.05009	3.1
85.02912	4.3
91.05496	22.1
93.07040	20.9
95.08606	8.5
97.06485	4.3
98.22743	6.1
99.04509	5.6
105.07037	44.3
107.08598	12.3
109.06512	4.7
117.07014	12.2
119.08583	32.1
121.06538	4.4
121.10156	18.8
123.08162	3.1
127.03938	3.2
129.07011	8.7
130.07796	8.9
131.08560	20.2
133.10138	6.3
137.09615	5.7
142.07828	6.4
143.08562	15.7
145.10114	100.0
147.11745	4.9
149.09656	3.1
151.07568	7.8
157.10123	23.2
159.11652	27.6
161.13277	4.2
163.11240	9.9
165.01849	16.4
167.07043	4.6
171.11807	4.0
173.13252	4.3
183.02893	6.0
185.13226	22.4
187.11206	13.8
196.13240	16.6
199.14857	9.7
203.10866	6.0
203.14249	7.9
205.10594	4.8
205.12228	22.9
214.14394	11.2
214.41263	3.2
219.13754	7.4
227.14339	7.6
245.15341	53.5
246.15886	3.9
260.12561	3.1
260.14948	21.1
260.18689	3.5
261.15527	3.3
263.16455	6.7
291.33594	3.3
299.09018	16.9
302.96048	3.5
349.16373	5.2
384.24026	5.3
402.18903	3.5
402.26385	6.8
417.50406	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05505	8.1
57.22431	3.1
59.03507	3.0
67.05519	16.6
69.03420	9.1
69.07053	5.6
70.06593	18.4
70.16001	6.1
70.16335	5.5
70.81898	2.9
79.05506	16.6
81.07063	26.3
83.08601	3.3
85.06589	2.9
86.06070	58.2
87.04465	7.1
91.05471	35.3
93.07037	33.8
93.87682	3.0
95.04945	6.9
95.08597	16.7
96.04488	11.3
97.10119	2.7
98.06055	100.0
98.22817	3.9
101.33717	3.0
105.07034	53.4
107.04944	16.5
107.08591	58.1
109.06495	11.9
109.10160	11.7
110.56478	3.5
111.08080	3.2
117.07036	6.9
119.08569	22.3
121.06544	3.8
121.10123	21.4
123.08084	3.8
128.06218	9.3
131.08572	24.7
133.06514	3.4
133.09161	6.3
133.10129	73.3
135.08018	5.0
135.11688	11.2
136.05174	3.6
136.07582	4.1
137.08360	6.8
143.08577	41.1
145.06427	3.3
145.10126	22.7
147.08051	6.9
147.11636	6.3
149.09625	10.5
149.13202	3.8
150.09117	5.8
151.07552	44.2
155.08565	5.9
157.10139	5.4
158.10875	4.6
159.08090	3.6
159.11679	6.3
161.09619	56.7
161.13257	9.5
163.07516	5.7
163.14767	10.4
164.07074	6.7
164.10760	3.4
166.06258	3.1
169.10117	3.5
173.13266	22.1
177.09158	6.9
181.08615	27.6
182.08122	6.9
182.10872	4.2
183.11751	4.0
185.13153	4.3
191.14278	19.5
193.10100	3.8
194.11868	20.2
194.92664	3.1
197.13301	7.2
199.14769	4.5
201.16400	4.4
213.16391	7.5
215.14314	4.2
223.14763	18.5
234.14977	9.1
241.15958	3.6
246.14839	9.3
253.19519	13.0
263.17987	7.7
281.18973	15.3
308.20197	9.1
326.21030	8.9
344.22195	8.6
366.24301	8.4
370.17685	9.5
373.09311	5.1
384.25284	9.3
385.20010	6.5
387.04501	3.3
402.07050	41.1
402.26450	67.9
402.31387	4.1
403.04010	39.4
403.13574	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01862	15.9
55.05512	38.5
57.03429	12.0
57.07070	10.9
58.60965	6.3
60.96930	5.7
67.05501	86.9
68.63666	7.1
69.03416	10.6
69.07051	22.6
70.06596	10.4
79.05490	52.3
79.10033	5.8
81.03405	9.1
81.07050	100.0
83.04974	18.8
83.08616	18.4
85.06520	9.4
86.06062	37.1
91.05476	63.3
93.07039	55.7
95.04965	23.2
95.08580	58.7
97.10171	13.2
98.06066	49.8
99.08086	10.1
105.07026	59.3
107.04944	19.3
107.08579	61.0
109.06526	20.1
109.10152	71.3
113.05959	5.7
113.24551	7.2
117.07027	21.6
119.08540	34.1
121.06476	7.0
121.10134	21.3
123.08051	11.3
123.11693	22.2
125.09639	12.0
129.07027	8.0
131.08580	21.2
133.06552	9.7
133.10118	69.6
135.04395	13.1
135.08046	15.1
135.11754	11.1
136.04784	18.8
137.04892	11.1
137.09613	13.7
143.08569	11.5
145.10121	18.2
147.11662	19.2
148.05121	7.2
149.09557	10.5
151.07533	74.5
151.11153	44.5
152.07858	22.3
157.10127	8.1
159.11705	17.2
161.09612	17.8
163.11179	12.2
163.14702	7.1
165.09140	12.6
169.10168	9.2
169.12228	9.6
171.11725	11.4
173.13347	11.1
177.09204	8.4
179.10684	8.3
181.08603	37.9
187.14876	11.1
193.12265	8.0
197.13324	9.2
201.16397	9.0
214.26326	7.2
215.14470	6.9
223.14874	8.3
225.18985	6.1
227.17955	8.7
247.20639	14.3
253.14330	18.3
253.19495	18.1
271.15411	26.8
275.20047	76.3
281.19028	28.8
285.16980	28.6
293.21176	38.2
328.83200	6.4
344.22223	12.5
349.23630	29.1
351.31189	6.5
357.11972	7.2
366.24368	12.2
367.24854	62.3
368.25305	6.5
384.25241	10.9
385.19962	8.5
402.26108	11.2
403.04004	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94649	5.2
55.01871	73.0
55.05513	44.3
57.54777	5.6
67.05507	33.3
69.07066	19.4
69.84746	13.7
71.08633	11.7
76.85057	5.2
79.05501	20.4
81.03416	8.8
81.07043	37.7
81.90821	5.9
91.05492	17.8
93.07038	21.1
95.04960	7.9
95.08623	20.4
97.06506	5.7
97.10178	12.8
98.51543	5.5
100.46179	5.8
105.07020	7.6
107.04956	25.1
107.08607	11.5
109.06511	9.6
109.10167	16.7
119.08555	8.9
121.10162	14.0
125.09626	100.0
131.08525	7.5
133.10130	13.9
135.08018	10.9
137.09618	12.6
143.08508	5.6
145.10141	9.4
148.05174	8.3
151.07547	55.9
151.11197	15.7
167.68121	6.0
177.09048	6.8
177.12794	19.2
181.08521	14.4
191.10712	5.5
199.13316	20.1
229.14301	35.8
257.19214	11.0
275.20010	33.3
293.21094	12.4
306.84241	5.7
307.25705	6.0
317.20035	6.7
318.22272	6.8
349.23599	14.6
367.24738	79.7
373.09161	6.1
382.91666	6.5
386.88666	7.0
403.14075	14.4
403.25714	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48686	4.0
55.01875	4.4
55.05504	16.4
57.03429	13.8
62.87568	4.8
67.05502	49.1
69.07069	32.5
70.74081	5.8
70.74420	5.7
71.05007	4.6
79.05489	36.8
81.07059	61.1
82.53516	3.8
83.04987	12.5
83.08611	10.8
91.05482	32.7
93.07045	48.5
95.04966	9.4
95.08601	22.7
97.06536	16.6
97.10160	9.2
99.08105	4.4
105.07038	31.6
107.04946	8.8
107.08595	28.7
109.06516	5.1
109.10174	6.4
117.07023	14.4
119.08582	16.6
121.10138	13.9
125.09633	6.7
129.06975	6.6
131.08536	19.9
133.10141	21.1
135.11671	21.6
137.09610	5.1
145.10130	12.8
147.11658	12.7
149.09602	11.7
149.13277	15.3
151.07553	17.3
159.11699	13.9
163.11169	7.4
173.13234	7.3
177.12761	6.5
181.08583	6.4
183.52454	4.4
195.13712	6.4
217.74367	4.1
227.12863	7.4
239.17982	6.4
255.15981	21.5
257.19009	11.9
269.17502	58.2
275.20203	25.2
286.20074	7.7
293.11612	4.2
328.90140	4.6
349.23749	26.3
367.24881	7.2
403.02603	9.1
403.07886	100.0
403.13144	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72429	1.4
55.05498	4.5
57.03446	1.5
67.05495	5.7
69.07075	4.0
69.77387	4.1
71.08626	7.2
79.05495	4.5
80.06250	1.8
81.03407	4.0
81.07058	4.7
83.08614	2.2
88.94041	1.4
91.05470	5.3
93.07024	3.9
95.04962	4.8
95.08604	3.0
97.10168	2.5
99.08109	4.6
105.07030	2.7
107.04966	6.9
107.08596	2.0
108.05730	4.8
109.06525	2.1
109.10149	2.7
121.06516	4.9
131.08597	2.1
133.06470	2.8
135.04472	2.0
135.08231	1.6
136.05188	5.1
137.05940	1.7
145.06409	2.3
147.08017	2.4
148.05186	5.1
150.06773	1.6
151.07530	100.0
159.07968	2.0
161.05995	2.6
163.07536	4.7
165.09116	5.5
166.06226	8.7
176.08424	2.2
176.60675	1.6
177.09119	10.7
179.10645	2.6
181.08580	46.6
189.09096	3.3
191.10638	3.1
193.08598	1.8
193.12253	2.3
203.10660	3.4
207.10112	2.4
217.12305	2.6
248.67447	1.5
275.20053	2.3
284.20264	1.6
293.21072	51.7
294.21405	3.3
302.21381	1.9
354.18192	2.9
367.24811	14.6
370.17661	15.6
370.27344	5.9
373.08868	2.1
385.20148	10.2
403.03979	2.0
403.13565	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21556	22.3
64.73901	23.8
195.64928	24.5
321.76035	23.1
338.99594	22.1
403.07303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92992	1.9
59.21035	1.8
62.01975	1.6
67.05485	2.3
69.07075	1.8
70.07087	3.8
70.07401	1.7
79.05475	3.9
80.07671	1.5
81.07077	3.8
84.97553	1.6
91.05495	3.9
93.07010	1.9
95.08637	2.0
98.22797	1.8
105.07072	2.1
107.08576	3.0
108.30177	1.6
113.00027	4.1
118.15508	1.8
121.06497	1.6
129.01874	6.3
145.06496	2.2
146.02788	1.9
151.07578	12.0
157.01375	1.9
169.02591	3.4
181.08617	7.3
185.08131	1.8
209.71573	1.5
317.48538	1.7
389.40570	1.9
403.07913	100.0
403.20187	11.4
403.25381	2.6
404.08304	7.6
404.28046	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03941	0.1
65.03958	0.4
66.04707	0.2
67.05516	0.3
69.10623	0.8
75.04469	0.7
77.03952	0.4
78.04719	0.4
79.05497	1.6
80.06284	0.8
81.07034	0.1
89.03912	0.3
90.04705	1.0
90.33186	0.1
91.05473	4.3
92.06257	0.2
93.03420	0.2
93.07039	0.5
95.04955	0.9
95.08598	0.2
98.22678	0.3
103.05448	1.0
104.06278	0.1
105.03392	0.6
105.04526	0.4
105.05477	0.2
105.07024	1.2
106.04168	1.2
107.04951	7.6
108.05753	3.8
109.06535	0.9
115.05447	0.6
116.06232	0.2
117.07023	1.0
118.04166	0.5
119.04944	0.5
119.06049	0.3
119.08581	0.3
120.05733	0.6
121.06509	2.3
122.07305	0.3
123.04419	0.8
123.08108	0.7
124.05203	0.2
128.06233	0.2
129.06972	0.4
131.04921	1.2
131.08530	0.2
132.05690	0.3
133.06473	1.5
134.03654	0.2
134.07210	0.2
135.04410	2.5
135.05354	0.2
135.08044	1.2
136.05200	5.6
137.05989	2.3
138.06750	1.3
139.07541	0.6
141.06966	0.2
143.03015	0.1
143.04967	0.2
143.08553	0.1
144.05716	0.2
145.06479	1.4
146.07285	1.5
147.04382	0.5
147.08049	1.9
148.05183	6.6
149.06010	0.7
149.09552	0.3
150.06715	1.1
151.07539	100.0
152.07864	3.1
153.05405	0.3
153.09081	0.3
156.05698	0.1
157.06474	0.2
158.07254	0.6
159.04356	0.2
159.08040	1.2
160.05167	0.2
160.08861	0.8
161.05984	3.3
161.09589	0.8
162.06682	0.5
163.07536	4.7
164.08298	0.8
165.05444	0.9
165.07661	0.2
165.09105	5.1
166.06255	9.2
167.07036	3.0
168.07761	0.3
169.08685	0.2
171.08060	0.3
172.08841	0.7
173.06020	0.6
173.09625	0.3
173.72215	0.1
174.06711	0.6
175.07561	1.3
176.08327	2.7
177.09106	9.6
178.09578	0.6
179.07033	1.0
179.10658	1.6
180.07797	0.8
181.08589	51.8
182.08980	2.0
183.10071	0.2
185.09644	0.2
186.06688	0.2
186.10374	0.4
187.07529	0.8
188.08310	1.2
189.09084	2.9
190.09853	1.3
191.07011	0.4
191.10651	4.5
192.07779	0.5
193.08601	2.7
194.09364	0.5
195.10149	2.1
201.09154	1.1
202.09908	1.1
203.06952	0.4
203.10663	3.8
204.11078	0.2
205.08618	0.8
206.09396	0.4
207.08313	0.2
207.10147	3.1
208.10806	0.2
209.11696	0.5
215.10652	0.3
216.11427	0.7
217.08672	0.3
217.12233	2.0
218.09381	0.3
219.10150	0.6
221.11710	1.5
231.10144	0.1
232.10860	0.3
233.11758	1.5
247.13272	1.2
248.56631	0.1
251.12743	0.2
263.10730	0.2
307.13046	0.2
321.14789	0.3
322.15488	0.2
323.16397	0.2
338.15271	0.2
339.15848	0.5
340.16602	0.2
353.17517	1.3
354.18219	3.3
355.15027	0.2
355.18848	0.4
370.17728	13.0
371.18088	1.3
385.20078	9.0
386.20535	0.9
403.21124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
58.84304	0.2
65.03952	0.8
67.05499	0.4
71.05023	0.3
74.50306	0.2
75.04479	0.6
77.03942	0.2
78.04722	0.6
79.05501	1.7
80.06291	0.7
81.07049	0.3
89.03893	0.2
90.04699	0.8
91.05483	4.2
93.07047	0.3
94.04253	0.3
94.81236	0.2
95.04981	1.2
95.08653	0.3
103.05476	1.2
105.03378	0.4
105.04523	0.4
105.07030	1.3
106.04159	1.1
107.04956	6.6
108.05161	0.2
108.05764	3.3
109.06514	0.9
115.05455	0.7
117.07007	0.8
118.04173	0.9
119.04944	0.5
119.08585	0.3
120.05745	0.4
121.06516	2.4
122.07262	0.2
123.04454	0.7
123.08070	0.8
131.04898	1.0
132.05670	0.3
133.06490	1.7
134.07187	0.3
135.04410	2.5
135.08044	1.2
136.05206	5.2
137.05972	2.8
138.06773	1.4
139.07571	0.6
145.06427	1.3
146.07278	1.5
147.04378	0.6
147.08055	2.7
148.05197	5.1
149.05954	0.8
150.06749	1.2
151.03932	1.4
151.07541	100.0
152.07864	2.5
153.05461	0.3
158.07266	0.8
159.08047	1.0
160.08821	0.8
161.05983	3.2
161.09608	0.7
162.06702	0.5
163.07550	4.6
164.08305	0.8
165.05481	0.8
165.09105	4.8
166.06264	9.6
167.07050	2.9
168.07745	0.5
171.07993	0.5
172.08815	0.7
173.05983	0.7
173.09602	0.4
174.06723	0.5
175.07484	1.1
176.08345	2.5
177.05559	0.4
177.09109	9.2
178.09750	0.6
179.06993	0.8
179.10628	1.5
180.07809	0.7
181.05092	1.1
181.08594	52.2
182.08986	1.7
187.07541	0.8
188.08295	1.4
189.09087	3.2
190.09901	1.5
191.07030	0.3
191.10652	4.4
192.07729	0.4
193.08609	2.9
194.09349	0.6
195.10158	2.3
201.09091	1.2
202.09778	1.4
203.07149	0.4
203.10683	4.5
205.08656	0.9
206.09381	0.6
207.10152	2.6
209.11655	0.4
215.10628	0.4
216.11497	0.7
217.12206	2.0
218.09381	0.3
219.10147	0.7
221.11742	1.2
233.11742	1.2
247.13272	1.0
321.14844	0.5
323.12766	0.3
339.15817	0.5
340.16586	0.3
353.17398	1.1
354.18253	3.2
355.19196	0.3
370.17746	13.6
371.17963	0.8
385.15347	0.5
385.20102	9.6
386.20273	0.3
403.21210	0.9
403.27313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.1
51.02380	0.1
52.03175	0.1
53.03935	0.2
53.12993	0.1
55.01863	0.1
55.05512	0.1
63.02366	0.1
63.23668	0.1
65.03919	0.5
66.04711	0.2
67.05492	0.3
68.99795	0.1
69.36127	0.3
75.04476	0.7
76.03142	0.1
77.03904	0.5
78.04697	0.5
79.05489	1.6
80.06264	1.0
81.03397	0.1
81.07049	0.2
89.03881	0.3
90.04692	1.1
91.05476	5.1
92.05764	0.1
92.06271	0.2
93.03409	0.2
93.07040	0.6
94.04177	0.2
95.04965	1.1
95.08576	0.1
96.33717	0.1
103.05457	1.0
104.06254	0.1
105.03403	0.6
105.04500	0.3
105.05482	0.3
105.07028	1.4
106.04167	1.3
106.04824	0.1
107.04951	8.5
107.08585	0.1
108.05745	4.0
109.06558	0.9
115.05416	0.6
116.06229	0.1
117.07008	1.0
118.04163	0.7
119.04974	0.5
119.06042	0.2
119.08566	0.2
119.86730	0.1
120.05723	0.8
121.02853	0.2
121.06506	2.4
122.03641	0.2
122.07266	0.2
123.04421	0.9
123.08073	0.8
124.05207	0.1
124.91666	0.1
125.05942	0.1
128.06245	0.3
129.06982	0.4
130.11523	0.1
131.04904	1.4
131.08563	0.2
132.05675	0.4
133.06482	2.0
133.07471	0.1
134.03589	0.2
134.07208	0.2
135.04405	2.8
135.08037	1.4
136.05196	6.5
137.05978	3.4
137.09561	0.1
138.06763	1.8
139.07539	0.7
141.06970	0.2
143.04875	0.1
143.08594	0.2
144.05696	0.4
145.06477	1.6
146.07272	1.7
147.04414	0.5
147.08041	2.4
148.05185	8.7
149.06007	1.0
149.09592	0.4
150.06749	1.4
151.03947	1.4
151.07533	100.0
152.04665	0.1
152.07861	3.2
153.05424	0.4
153.09047	0.4
154.06274	0.1
156.05772	0.1
157.06520	0.4
158.07300	0.4
159.04384	0.1
159.08034	1.2
160.05200	0.3
160.08844	1.0
161.05974	4.0
161.09581	0.7
162.06718	0.6
163.07535	5.0
164.08305	1.0
165.05466	1.2
165.09102	5.7
166.06248	11.0
167.07031	3.1
168.07774	0.4
169.08704	0.1
171.08057	0.7
172.08839	0.9
173.05984	0.8
173.09579	0.5
174.06755	0.7
174.10281	0.1
175.07532	1.6
175.11047	0.1
176.08315	3.0
177.05768	0.4
177.09100	10.0
178.09752	0.5
179.07022	1.0
179.10649	1.9
180.07816	0.9
180.11003	0.1
181.08582	62.9
182.08948	2.4
183.10066	0.1
185.06015	0.1
185.09596	0.2
186.06754	0.2
186.10426	0.3
187.07498	1.1
188.08333	1.5
189.05487	0.1
189.09085	3.2
190.06100	0.1
190.09850	1.3
191.07045	0.6
191.10657	4.5
192.07826	0.5
192.11087	0.2
193.08583	3.1
194.09332	0.6
195.10158	2.2
196.10487	0.1
200.08258	0.2
201.09109	1.2
202.09871	1.4
203.06921	0.5
203.10657	4.3
204.07735	0.2
204.11076	0.1
205.08650	0.7
205.12247	0.1
206.09395	0.5
207.10141	3.0
208.10803	0.1
209.11644	0.5
215.10660	0.5
216.11430	0.6
217.08649	0.2
217.12224	2.3
218.09323	0.4
218.12622	0.1
219.10196	0.7
220.08923	0.1
221.09723	0.1
221.11707	1.3
225.71268	0.1
231.10155	0.2
231.13705	0.1
232.10916	0.1
233.11722	1.4
234.12163	0.1
235.13249	0.2
245.11983	0.1
247.11005	0.1
247.13281	1.1
251.12732	0.2
263.10577	0.1
265.14383	0.1
289.12192	0.1
290.13132	0.1
291.10379	0.1
293.11707	0.1
293.15402	0.1
295.13394	0.1
307.13199	0.2
311.16376	0.2
321.14847	0.3
322.15555	0.3
323.12814	0.2
323.16394	0.1
325.17972	0.1
338.15213	0.2
339.15738	0.5
340.16614	0.1
353.17413	1.0
354.18210	3.4
355.15152	0.2
355.19104	0.5
370.17719	13.6
371.18076	1.3
383.18378	0.1
385.20071	9.3
386.20300	0.7
403.16174	0.1
403.21149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
51.02394	0.1
52.03166	0.1
53.00301	0.1
53.03934	0.1
55.01865	0.1
55.05517	0.1
58.24647	0.0
59.04990	0.0
62.63558	0.0
63.02369	0.1
63.50182	0.0
65.03918	0.5
65.04211	0.1
66.04711	0.2
67.05489	0.3
68.99789	0.1
69.03397	0.1
69.12743	0.1
69.13159	0.2
75.04474	0.5
77.03893	0.3
78.04705	0.5
79.05032	0.1
79.05488	1.6
80.05825	0.1
80.06270	0.8
80.65707	0.0
81.03413	0.1
81.07059	0.1
89.03877	0.3
89.06036	0.1
90.04121	0.1
90.04693	1.0
91.05474	4.8
92.02615	0.1
92.05767	0.1
92.06268	0.2
93.03406	0.2
93.07043	0.4
94.04176	0.2
95.04959	0.9
95.08615	0.1
97.06503	0.1
103.05463	1.2
104.06217	0.1
105.03386	0.5
105.04494	0.3
105.05518	0.3
105.07025	1.4
106.04166	1.1
107.04950	8.2
107.08557	0.1
108.05748	3.9
109.06532	0.9
110.07311	0.1
115.05419	0.6
116.06259	0.1
117.06162	0.1
117.07009	0.9
118.04146	0.6
119.04945	0.5
119.05991	0.2
119.08569	0.2
120.05714	0.4
121.02870	0.2
121.06509	2.2
122.03633	0.1
122.07310	0.2
123.04446	0.7
123.08064	0.7
124.05187	0.2
125.05968	0.1
128.06213	0.2
129.06982	0.4
130.07826	0.1
131.04916	1.5
131.08615	0.1
132.05704	0.3
133.02835	0.1
133.06482	2.0
134.03598	0.1
134.07259	0.2
135.04411	3.0
135.08052	1.3
136.05194	5.8
137.05977	2.8
137.09550	0.1
138.03137	0.1
138.06770	1.3
138.31308	0.1
139.07578	0.5
141.06989	0.2
142.07936	0.1
143.04892	0.1
143.06027	0.1
143.08554	0.1
144.05681	0.3
145.06479	1.6
146.07274	1.6
147.04430	0.5
147.08054	2.3
148.05183	5.9
148.08762	0.2
149.06010	0.9
149.09573	0.4
150.06747	1.2
151.07533	100.0
152.04572	0.1
152.07863	3.2
153.05450	0.3
153.09058	0.3
155.07082	0.1
155.08444	0.1
157.06520	0.3
158.07262	0.5
159.04318	0.1
159.08043	1.0
160.05168	0.2
160.08839	0.9
161.05972	4.0
161.09584	0.8
162.06760	0.7
163.07533	5.1
164.08315	1.0
165.04401	0.0
165.05486	0.9
165.06920	0.1
165.09108	5.0
166.06247	9.4
167.07033	2.9
168.07756	0.5
169.06398	0.1
169.08589	0.1
170.07240	0.1
171.08040	0.5
172.05226	0.1
172.08839	0.6
173.05974	0.7
173.09608	0.3
174.06741	0.6
174.10281	0.1
175.07529	1.5
176.08313	3.0
177.05768	0.4
177.09097	10.1
177.89238	0.1
178.09656	0.6
179.07042	0.9
179.10652	1.9
180.07817	0.9
181.08582	46.1
182.08939	1.9
183.10091	0.1
184.08940	0.1
185.05937	0.1
185.09676	0.3
186.06746	0.1
186.10458	0.3
187.07494	0.8
188.08328	1.3
189.09088	3.4
190.06230	0.1
190.09857	1.3
191.07057	0.5
191.10657	4.5
192.07822	0.6
192.11064	0.2
193.08591	3.1
194.09331	0.5
195.10153	2.1
196.10442	0.1
200.08246	0.2
201.09125	1.0
202.09871	1.2
203.07042	0.4
203.10655	3.3
204.07941	0.1
204.11250	0.2
205.08604	0.7
205.12277	0.2
206.09384	0.5
207.10139	2.9
208.10666	0.2
209.11691	0.6
214.09926	0.1
215.10587	0.4
216.11426	0.5
217.09001	0.2
217.12215	1.8
218.09322	0.2
218.12537	0.1
219.10146	0.6
221.11659	1.0
222.12083	0.1
231.10324	0.1
231.13681	0.1
232.10970	0.2
233.09399	0.1
233.11717	1.5
234.12210	0.1
235.13225	0.1
247.10939	0.1
247.13269	0.9
251.12779	0.1
261.09015	0.1
261.12753	0.1
263.10501	0.1
265.14349	0.1
275.10580	0.1
279.13501	0.1
289.12326	0.1
290.13046	0.1
291.13745	0.1
293.15359	0.1
295.13062	0.1
299.12781	0.1
306.12466	0.1
307.13248	0.2
311.16437	0.1
321.14871	0.3
322.15643	0.2
323.12805	0.1
323.16290	0.1
338.15118	0.2
339.15900	0.5
340.16571	0.1
353.17453	1.1
354.18210	2.9
355.15164	0.2
355.18857	0.4
370.17722	12.1
371.18051	1.0
371.22559	0.1
383.18488	0.1
385.20056	7.6
386.20444	0.7
388.18903	0.1
403.21140	1.0
404.21442	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.0
55.81004	1.0
56.96562	49.6
61.30167	1.2
67.05499	5.6
69.07018	2.9
70.98060	1.2
79.05460	4.8
81.07049	10.5
83.08575	1.3
91.05479	8.8
93.07040	8.4
95.04927	1.0
95.08604	6.0
97.06472	1.1
98.96986	1.6
98.97575	24.2
99.08044	1.7
103.05420	1.0
105.07025	8.4
107.04938	1.0
107.08555	4.7
109.10125	2.7
115.00623	1.6
116.97876	1.5
116.98607	17.5
117.06950	3.3
119.08596	6.3
121.10110	2.5
129.01788	3.1
131.08485	5.3
133.10040	3.9
134.99626	7.8
135.11621	1.3
137.02673	1.3
139.00258	1.2
140.00175	1.3
142.07744	1.3
143.08501	3.5
145.10141	5.2
147.11623	2.1
151.07523	16.2
153.00764	1.5
153.53284	1.1
155.03793	1.4
157.01315	1.4
157.10045	3.8
158.01311	1.2
159.11652	2.6
166.06241	1.3
171.11662	2.9
179.03673	1.3
181.08591	7.5
183.02834	1.4
185.08023	1.2
191.07329	1.4
195.06851	3.9
197.04811	2.8
205.05257	2.1
207.06822	4.2
209.08333	2.1
211.06264	3.5
211.09822	1.2
213.07964	1.7
213.16319	1.4
215.05827	1.2
223.06329	2.3
225.07855	3.3
241.07320	1.2
257.12003	1.8
263.26923	1.1
275.13037	3.0
291.12698	1.1
293.14301	1.7
310.16129	1.4
325.18344	59.5
326.18695	5.3
343.15500	1.6
343.19421	29.9
363.18250	1.8
366.21075	5.9
370.17560	2.0
373.09085	5.0
385.20294	13.3
386.20584	2.0
403.13760	5.3
403.21255	100.0
404.21606	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98729	0.6
55.01863	1.0
55.05509	2.5
57.03418	1.3
59.00674	0.7
67.05505	3.5
69.03420	2.9
69.07053	1.3
69.81866	1.8
70.06590	82.9
71.04993	1.3
71.06921	1.7
72.08151	4.7
77.21673	0.6
79.05488	3.1
80.72546	0.7
81.03414	6.6
81.07046	3.1
81.90083	0.7
83.04984	4.3
83.08615	1.3
84.04531	0.7
85.02894	3.2
85.06541	4.8
86.09703	7.4
87.04451	1.0
91.05461	3.6
93.07025	2.1
95.04949	2.8
95.08598	1.9
97.02891	11.0
97.06467	0.8
98.06039	1.7
98.97625	0.7
99.04456	0.9
99.08128	0.8
105.07018	2.9
107.04949	1.0
107.08611	2.2
109.06525	0.9
109.10167	4.0
109.36904	0.7
111.04427	0.9
111.08101	1.7
112.07601	73.8
113.07938	1.8
114.05522	1.4
114.09175	1.5
115.03940	0.9
115.08658	1.7
116.07101	8.6
116.98726	0.9
119.08581	2.5
121.10138	2.4
123.08086	1.2
125.06028	1.1
125.07054	1.1
125.09622	1.2
127.03925	0.9
129.06979	1.1
129.10242	10.0
131.08598	4.2
133.10123	1.1
135.08064	0.9
135.11617	0.8
137.05959	0.8
137.09631	3.6
141.05498	0.7
143.11765	1.6
145.10120	2.3
147.04300	0.7
147.08025	0.7
147.11664	1.1
149.09622	4.5
152.08167	1.7
153.09122	0.8
155.10640	2.2
157.09860	1.6
159.11734	0.8
161.04462	1.6
161.45364	0.8
163.11226	1.3
165.09085	1.1
167.10672	2.8
170.15417	1.6
175.10779	100.0
176.11128	2.6
187.11002	0.7
191.10654	3.4
193.12221	2.9
198.08745	2.5
205.12222	0.7
207.06479	1.7
207.13782	1.1
209.11703	5.8
211.13263	5.1
223.13316	0.8
227.12776	9.3
233.14885	1.2
241.10501	1.1
241.14343	1.3
254.17354	1.5
267.18024	0.7
313.18692	1.7
359.21594	1.4
385.20203	4.0
403.15326	4.5
403.20313	0.8
404.26190	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.05496	1.9
55.72521	0.5
56.05022	1.3
57.03438	4.4
57.05810	1.3
58.06585	2.4
61.02900	2.4
67.05496	2.7
69.03068	0.6
69.03425	9.2
69.07050	1.6
69.30980	0.5
70.06571	1.6
71.04976	2.0
71.58361	0.5
72.08121	1.2
73.02903	2.0
74.06069	4.9
79.05499	2.7
79.97013	0.5
81.03416	4.6
81.06709	0.5
81.07061	5.4
82.36531	0.5
83.04975	0.8
83.06081	1.9
84.08125	2.1
85.02405	1.0
85.02904	13.5
85.06512	1.6
85.07651	0.8
86.00559	0.5
86.06055	1.1
86.09693	2.0
87.04456	2.1
89.14277	0.5
91.03939	0.7
91.05481	1.9
93.07034	4.0
94.06577	0.5
95.01308	1.6
95.04959	1.7
95.08589	1.7
96.08108	1.2
97.02898	5.2
97.06517	1.7
97.07613	0.8
98.09708	3.3
99.04422	1.4
99.08072	1.7
100.11297	0.8
104.07058	0.8
105.06997	1.9
107.04957	1.0
107.08564	1.9
108.08122	1.1
109.02830	2.0
109.06532	1.1
109.10172	3.6
110.08413	1.0
110.09650	2.0
110.10373	0.6
111.08047	0.6
112.11237	8.2
113.07139	0.9
117.06934	0.7
119.04896	0.6
119.08573	1.4
121.02857	2.5
121.06489	0.9
121.10113	1.7
121.23638	0.6
122.10445	0.6
123.04449	0.6
123.08061	1.7
124.07555	1.1
125.09578	0.8
126.09151	0.6
127.03899	2.5
128.20462	0.5
129.01814	1.6
130.12276	15.3
131.08574	1.2
133.06136	0.7
133.10078	1.1
135.08061	0.6
135.11737	0.7
137.09589	1.2
139.11275	1.0
139.12300	9.8
141.13054	0.5
141.13884	5.3
144.18996	0.6
145.02855	0.7
145.04926	1.5
145.10022	0.9
147.07973	0.7
147.11630	1.0
149.09608	1.2
150.91011	0.7
151.07510	1.5
155.08557	0.6
155.10651	1.8
157.13385	4.3
161.09607	0.8
163.03870	0.8
164.14388	1.1
165.01854	2.5
167.07014	1.5
167.11821	5.0
171.14919	1.4
177.12762	1.1
181.04977	0.8
182.15376	1.1
185.12883	1.0
187.04085	0.6
195.18576	3.2
199.14375	1.7
201.05406	1.0
203.03319	0.8
203.07140	0.8
207.06529	0.6
207.13834	0.7
213.19606	12.5
223.13365	0.6
223.18018	3.1
225.19606	1.4
241.19095	100.0
242.19408	4.4
242.24664	0.8
258.16882	1.2
259.15503	1.0
267.06491	1.0
271.05917	1.4
279.06635	0.8
281.08173	1.5
283.05991	13.3
284.06558	1.8
289.14334	1.7
293.08127	0.8
295.06030	1.3
297.07623	2.7
297.59360	0.6
307.05981	0.9
307.15387	1.1
309.07599	2.5
311.09424	0.8
313.07028	8.7
321.07587	6.5
325.07050	1.3
333.13281	2.5
337.07050	6.4
349.07068	4.0
349.23935	0.8
351.14276	0.8
359.16620	1.5
367.08075	13.6
368.08292	1.2
371.11523	1.7
385.08960	2.4
403.09848	1.3
403.24338	54.8
404.24567	3.4
404.29965	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2821
Annotation	Broussonetine I
Peak:m/z	Relative Intensity
52.83030	1.7
56.53392	1.8
60.46228	2.3
64.72569	1.8
91.05487	1.7
95.08623	2.2
98.23531	3.3
129.01857	11.4
151.07558	5.1
157.01260	2.9
165.09015	1.8
185.08142	2.2
229.03539	2.0
241.76794	1.9
264.09225	1.9
373.09201	11.5
374.09552	2.5
385.22519	3.8
385.27133	60.2
386.27774	3.8
402.39645	3.4
403.13922	18.3
403.28174	100.0
403.39725	2.9
404.14655	2.4
404.20514	3.2
404.28345	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48955	1.3
62.06091	11.9
69.54465	5.0
69.54820	2.4
73.56853	1.2
73.63246	1.3
86.82463	1.5
89.03914	7.1
94.93003	2.4
100.25825	1.3
105.24202	1.5
117.03369	19.5
118.03738	1.6
118.08675	1.3
120.96632	1.4
127.20356	1.6
134.03568	1.7
145.01680	3.0
145.02840	51.8
146.03163	1.9
149.06030	7.6
177.05470	100.0
178.05804	4.2
207.06508	2.9
238.95432	1.4
253.67867	1.4
294.36804	1.6
404.20642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05626	0.7
61.02920	1.4
69.03416	2.3
70.00259	1.8
70.06583	1.2
70.65513	0.7
72.08134	1.4
79.94701	0.6
81.03394	1.5
85.02903	8.3
86.09703	1.4
89.03912	8.2
91.05475	11.1
92.05830	0.8
97.02882	3.0
99.04461	0.6
103.05486	0.7
107.04983	0.7
109.02898	1.5
117.03368	23.0
118.04160	0.8
119.04940	18.3
119.08538	1.3
119.14592	0.7
120.05282	0.7
121.06520	0.7
124.03951	2.1
125.66212	0.7
127.03896	2.4
132.02087	0.7
132.53896	0.7
134.03624	2.0
135.04376	1.3
136.50024	0.7
137.05949	0.6
145.02838	54.9
145.04807	1.5
146.03209	1.9
147.04402	18.1
148.04762	1.0
149.02272	0.9
149.05968	7.9
150.06313	0.8
157.03966	2.2
160.12080	0.8
163.03957	1.2
164.04726	1.1
175.03896	34.4
176.04218	0.8
177.05457	100.0
178.05777	4.3
178.13042	0.8
179.06996	1.9
180.08704	2.2
181.04849	1.4
181.08498	0.6
192.04150	9.7
207.06511	85.5
208.06851	3.0
224.13672	0.7
225.07565	32.6
242.10303	1.4
268.08124	1.5
317.40308	0.7
404.15179	1.6
404.19775	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.119
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02366	0.5
69.03416	0.6
70.95074	0.8
77.03947	0.5
85.02900	3.1
89.03909	6.6
89.76824	0.5
91.05484	3.8
97.02891	0.9
103.71638	0.4
106.04162	0.7
109.02858	0.6
112.42635	0.4
117.03376	22.4
118.03632	0.5
118.13634	0.5
119.04946	7.0
121.06449	0.8
127.03889	1.4
134.03619	1.7
135.04439	1.2
145.02843	52.0
146.03198	1.3
147.04393	4.8
149.05969	8.4
157.03993	0.8
163.03909	0.7
164.04680	0.6
171.78719	0.5
175.03909	10.5
177.05464	100.0
178.05798	3.8
179.07100	0.4
185.01144	0.5
186.05446	0.5
192.04132	3.3
207.06519	26.0
208.06924	0.7
224.33650	0.5
225.07561	12.4
231.05194	0.6
234.24513	0.5
286.01645	0.5
307.42014	0.4
410.38348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75047	0.8
53.03941	1.1
55.01860	1.6
57.03426	1.4
61.02921	1.0
69.03424	6.8
69.74619	2.3
70.06586	1.5
71.04976	0.7
72.08144	0.9
73.02924	1.5
81.03409	3.8
85.02905	23.4
87.00816	5.1
91.05476	13.8
93.07011	0.6
97.02882	7.1
98.23489	0.8
99.04430	2.9
103.05456	1.3
105.01873	10.1
109.02887	3.6
118.04136	1.1
119.04943	23.7
120.05304	0.7
120.08163	0.8
121.06495	5.6
127.03920	12.6
130.71268	0.7
132.02011	1.1
145.04950	8.3
147.04401	19.4
157.03937	2.2
159.02904	2.3
164.04700	1.8
175.03908	40.3
176.04211	1.4
179.06972	1.5
180.08623	1.9
189.03894	1.8
192.04176	9.5
205.08592	1.2
207.06519	100.0
208.06866	4.1
225.07565	38.9
226.07925	1.7
231.04964	3.8
247.09636	0.9
249.06029	1.3
404.15826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03434	0.9
61.02913	2.3
69.03429	4.4
69.38953	0.7
70.53472	1.7
71.05002	1.0
73.02902	1.3
79.30490	0.7
81.03406	2.9
83.23885	0.7
84.35873	0.7
85.02399	1.4
85.02898	17.8
86.09702	0.7
87.00834	2.0
91.03956	0.8
91.05479	14.9
96.85385	0.8
97.02898	5.5
99.04451	1.1
103.05480	1.4
105.01877	1.7
109.02877	2.0
117.03349	0.8
118.04129	1.3
119.04939	22.8
121.06472	1.4
127.03904	5.0
129.12485	0.8
129.80611	0.9
132.02071	0.8
139.82747	0.7
145.02858	2.0
145.04933	4.5
147.04408	20.5
149.02379	0.8
157.03978	3.3
162.07530	0.8
163.05998	1.1
164.04691	1.8
175.03902	38.9
176.04262	1.5
177.01755	1.0
177.05437	2.5
179.07031	2.1
180.08684	3.1
189.03973	1.1
192.04173	11.3
205.08234	0.7
207.06517	100.0
207.50446	0.9
208.06749	4.4
225.07567	51.5
226.07930	2.4
263.13632	0.9
404.20337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05509	2.7
57.03436	5.2
57.07061	1.5
59.05002	1.0
61.02914	1.3
67.05501	12.2
69.03425	13.4
69.07060	3.7
70.06224	1.8
70.06585	16.2
71.04993	7.3
71.06906	4.3
72.04506	1.4
72.08142	3.8
73.02908	1.3
74.06065	1.5
79.05487	9.7
79.57675	0.9
81.03408	2.0
81.07050	3.8
82.06590	0.9
83.04968	4.3
84.08141	1.0
85.02898	12.6
85.06538	48.0
86.06058	1.2
86.09701	3.4
87.00790	1.0
87.04461	2.8
89.37333	1.0
91.05479	10.2
93.07030	9.7
93.25632	0.9
95.04955	4.6
95.08601	5.1
97.02885	100.0
97.06503	3.0
98.03214	2.0
98.06030	1.0
98.97605	1.0
99.04456	1.5
99.08086	3.2
100.07583	0.9
101.02350	1.8
104.07116	1.4
105.07017	11.0
106.06506	1.0
106.07339	0.9
107.04948	4.3
107.08589	12.4
109.02841	1.3
109.06509	4.0
109.10164	2.9
111.04440	5.2
111.08083	1.5
112.07585	10.4
113.06023	1.9
113.07932	4.0
114.09167	3.0
115.03931	19.9
115.05456	1.2
116.07056	1.6
117.07007	3.4
119.04914	3.1
119.08566	11.4
121.06491	7.5
121.10146	10.0
123.08073	4.9
125.05992	3.3
127.03955	2.9
129.07001	3.5
129.10248	1.8
131.08554	37.4
132.08936	1.4
132.10194	1.2
132.50824	0.9
133.06488	1.8
133.10107	1.9
135.04399	1.3
135.08044	2.1
135.11688	3.0
137.05994	2.2
137.09607	5.7
143.03383	2.6
143.08559	1.3
145.06491	1.6
145.10118	14.7
146.10422	1.0
147.04391	1.8
147.08028	4.2
147.11664	2.9
149.06000	1.6
149.09605	33.2
151.07536	2.3
153.05467	2.9
155.07040	1.5
161.04456	13.1
163.07529	2.1
163.11160	11.6
165.09108	4.9
167.06984	3.3
167.10666	14.9
168.10945	1.4
171.06366	1.7
171.11618	1.2
172.07607	2.6
173.09631	3.6
175.03879	2.3
175.10776	13.4
176.11151	9.2
179.07007	1.6
179.10703	1.7
185.08104	1.0
189.12776	3.3
191.07039	1.1
191.10652	34.0
197.11768	1.7
202.00301	1.2
207.06520	6.6
207.10161	1.8
207.13791	8.8
209.11713	52.1
210.12115	2.3
211.58661	1.1
225.07628	2.4
225.14833	1.8
227.12756	88.1
228.13107	3.0
228.15871	1.7
237.11189	2.7
255.12297	1.3
257.09265	1.2
275.51294	1.0
279.02509	1.0
281.22934	1.0
290.12405	2.5
314.19119	1.6
342.13135	8.4
345.12332	2.9
385.89005	1.1
386.21005	4.1
404.15338	1.0
404.21884	5.2
404.26971	10.3
405.16376	2.0
413.53064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44922	0.4
67.05506	0.5
69.84428	0.6
69.84757	0.9
79.05483	0.6
91.05464	2.6
93.07019	0.7
94.24261	0.4
95.04923	0.5
106.04194	0.5
107.04948	4.1
107.08560	0.7
108.05721	1.3
117.06982	0.7
121.06506	3.9
135.04382	1.1
136.05206	2.0
145.06497	1.1
146.07263	3.3
147.08046	0.9
149.05992	2.1
150.06551	0.6
151.07529	100.0
152.07878	3.2
161.05965	0.6
162.06743	1.4
163.07521	1.5
165.05472	1.2
165.09102	1.5
173.13068	0.4
177.09111	10.2
178.09444	0.6
179.07065	1.6
181.08578	1.0
182.08890	0.9
183.02892	1.3
184.03181	0.9
188.08395	0.6
189.09184	0.9
191.07014	2.0
201.09140	0.5
203.10713	0.9
211.02303	1.2
213.09207	0.5
214.28487	0.4
215.10643	1.1
241.07100	0.6
248.02344	0.4
259.05740	0.5
261.09164	0.6
278.12958	1.2
288.11484	1.9
289.12201	1.0
302.07385	0.7
304.11035	1.0
305.11761	1.4
309.14856	2.0
314.07349	0.6
316.05286	0.6
319.13193	6.7
320.14078	1.0
326.46228	0.4
328.09079	1.3
330.06949	1.2
331.07742	1.3
337.14322	3.7
351.15878	4.3
356.08069	1.0
359.07214	0.7
369.16959	17.9
370.17218	0.8
373.09119	1.1
374.04718	0.7
374.09488	14.0
375.09946	0.7
383.88870	0.5
387.17969	8.4
388.18378	0.8
389.11642	1.2
404.08771	0.9
404.14233	15.7
404.19958	0.8
404.28094	0.5
405.14594	1.0
405.26492	0.5
406.95798	0.5
411.27750	0.5
417.64499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05704	0.7
53.03964	1.1
55.01880	1.0
55.05504	2.3
57.03429	1.5
57.07081	0.8
57.54277	0.7
61.02931	1.1
62.03175	0.8
67.05494	2.9
69.03425	2.7
69.07070	1.6
71.04968	0.9
76.80718	0.8
79.05500	2.9
81.03403	1.3
81.07047	3.9
82.95901	0.7
83.04997	3.9
85.02903	7.5
86.06074	1.3
91.05514	3.9
93.07034	3.6
95.01329	4.9
95.04974	2.7
95.08599	4.8
97.02884	2.1
97.06523	3.4
98.22711	2.2
99.08096	0.9
104.07092	0.9
105.07030	7.2
107.04934	1.9
107.08603	3.6
109.02918	0.8
109.06505	2.9
109.10155	1.9
111.73860	0.7
117.07020	1.6
119.08598	5.9
120.08109	1.4
121.06499	1.2
121.10151	9.2
122.02714	1.4
123.04473	1.3
123.08064	100.0
123.11668	1.4
124.08409	3.1
125.09574	1.0
127.03914	1.3
129.07013	1.2
131.08571	2.1
133.06491	1.4
133.10129	3.0
135.08034	1.0
135.11710	1.7
137.05992	5.6
137.09612	2.7
138.09134	3.0
143.08553	1.2
145.05000	1.3
145.06398	1.0
145.10112	3.1
146.05882	0.8
147.08011	1.2
147.11685	10.2
149.09589	2.6
151.07530	2.5
151.11169	6.1
153.09044	0.7
156.09358	2.7
157.43968	0.8
159.11691	2.0
161.05954	1.6
161.09665	1.3
161.13229	4.5
163.03902	1.0
163.07559	5.9
163.11191	2.6
165.01901	1.6
165.12788	1.9
166.08636	0.9
167.06998	1.6
167.10695	2.4
171.11697	3.8
177.12759	2.5
179.10672	2.7
181.04987	1.1
181.12193	8.5
189.09135	1.6
189.12724	9.5
193.08598	2.0
195.02866	1.2
195.13721	1.0
207.10178	10.8
207.13763	10.8
225.11320	10.1
225.14812	21.1
226.15120	1.3
242.24820	1.3
289.14279	7.5
307.15320	5.6
315.12234	1.4
317.14740	1.4
323.14957	1.9
333.13324	10.9
341.15894	0.8
345.10919	1.4
351.14447	8.4
369.15338	2.9
373.10114	1.8
404.20474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.05502	4.9
56.59682	2.3
57.03444	2.9
59.04989	2.8
61.02920	6.1
65.95091	2.0
67.05496	7.4
69.03429	14.1
69.07062	7.9
69.17236	4.8
69.17635	7.0
71.04987	9.9
72.04516	1.9
73.02881	1.9
79.05490	8.9
81.03431	5.9
81.07030	6.0
81.14251	2.0
83.05038	2.8
83.08620	2.5
85.02905	43.4
85.06528	6.7
91.03938	2.1
91.05490	13.0
93.07050	13.0
95.04954	6.6
95.08601	14.9
97.02891	10.3
97.06522	8.3
99.04451	5.5
100.36638	2.1
105.01842	1.8
105.07031	36.0
107.08588	20.6
109.02871	5.8
109.06515	26.7
109.10150	23.0
111.08089	8.9
119.08574	49.1
121.06551	2.7
121.10143	100.0
122.10426	2.6
123.08071	36.0
123.11684	4.9
125.09649	2.8
127.03870	10.8
131.08569	13.2
132.10210	2.1
133.10115	6.1
135.08020	3.1
135.11682	11.8
137.09596	18.3
137.13229	2.6
143.08559	3.7
145.04936	6.0
145.10112	17.3
147.08037	4.1
147.11681	60.2
147.12849	3.3
148.12039	2.5
149.09613	25.7
151.07558	15.1
151.11092	1.9
156.09364	5.4
161.13249	67.2
162.13673	3.0
163.11174	6.1
165.12708	11.0
171.11644	6.9
179.14325	15.5
181.12259	3.9
188.12859	2.5
189.12733	62.3
190.13028	4.3
203.54324	1.8
207.13802	89.6
208.14139	5.4
214.14195	2.1
225.14870	12.7
306.48978	2.4
404.26669	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31535	3.0
55.05520	9.0
57.03466	4.1
57.07099	4.8
60.79142	3.9
67.05519	16.4
69.03426	15.1
69.07064	6.0
69.39929	17.6
70.06600	9.7
71.04997	9.3
72.08148	10.6
79.05504	12.4
81.07062	6.5
83.04997	6.0
85.02896	22.7
85.06561	26.2
86.09717	5.4
91.05497	26.0
93.07056	17.2
95.04968	8.6
95.08611	85.6
96.14486	3.3
97.02892	37.5
97.06534	5.1
99.04459	6.2
102.13470	3.0
105.07040	14.8
107.08596	21.1
109.06550	7.4
109.10138	3.7
112.07631	6.3
113.06012	12.4
115.03931	6.5
119.04935	8.4
119.08583	25.5
121.06508	8.4
121.10171	15.6
123.08070	30.7
123.11700	10.1
127.03912	8.5
131.08571	51.7
135.08015	4.4
135.11728	10.0
137.09608	3.7
143.08560	4.5
143.37926	3.6
145.10072	18.3
147.04387	4.8
147.08012	4.0
147.11723	15.5
149.09630	48.3
153.05496	5.2
161.13254	12.2
163.11159	20.5
165.12743	7.4
167.07071	4.0
171.06157	3.6
171.15694	4.5
172.07588	8.8
175.03932	15.6
175.10794	6.7
189.12750	21.8
191.10637	19.7
198.08730	4.5
199.09233	3.8
207.06514	32.2
207.10226	5.9
207.13805	100.0
208.14252	4.6
209.11742	53.6
218.23808	3.7
225.07631	18.9
225.14810	7.4
227.12839	22.1
237.26909	3.9
314.19186	5.3
342.13052	15.5
386.21130	13.8
404.21100	5.8
404.26459	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	3.5
55.05500	4.7
66.58588	2.5
67.05482	8.3
69.07064	5.8
70.89207	2.2
79.05497	5.7
79.62592	2.5
81.07050	17.9
83.08643	2.8
91.05499	3.8
93.07050	6.7
95.04944	3.3
95.08575	5.0
98.23513	4.8
101.56974	3.1
103.05470	3.7
104.99251	5.1
105.06983	4.3
107.08582	6.1
109.06535	6.2
109.10076	2.5
111.04423	12.1
119.08565	4.6
121.10099	5.8
123.04409	4.8
123.08052	3.2
129.01775	3.9
129.06964	4.3
131.04913	8.0
131.08621	3.6
133.06444	3.4
133.10112	4.1
135.04381	23.1
135.08029	4.3
135.11668	2.6
137.05971	100.0
137.07016	5.5
138.06319	2.9
145.02997	2.6
147.11703	4.9
149.05957	3.5
151.07521	3.8
161.05975	9.0
163.11171	3.6
167.07025	40.4
175.11101	3.2
181.08578	4.0
187.03857	3.0
203.17892	5.7
213.05267	2.7
213.16478	2.8
231.17424	7.8
249.18407	4.8
272.20105	7.1
277.17938	45.9
290.21103	3.7
295.19034	8.2
322.98816	3.3
351.21628	65.3
352.21841	4.1
369.13327	17.6
369.22824	4.8
386.26782	10.6
387.14401	8.3
404.08942	3.0
404.20605	11.7
404.28110	33.8
405.22174	10.8
405.27579	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05497	1.0
67.05492	1.0
69.07057	2.3
70.77435	0.6
73.02911	1.4
73.06538	0.9
79.05499	1.2
81.07053	1.2
91.05450	0.8
93.07054	0.6
97.06555	0.6
104.42773	0.5
104.99248	0.7
105.07050	0.8
106.06540	4.0
109.10152	0.5
117.05717	0.7
118.06522	5.5
118.07196	0.5
120.08052	0.6
130.06451	0.9
131.07309	3.7
132.08054	2.5
133.08891	0.7
134.09654	1.3
146.09645	6.0
147.24565	0.5
151.07532	1.1
152.07904	0.6
160.11200	5.7
162.12718	0.6
172.11201	1.4
174.12787	1.0
181.08618	0.6
189.42039	0.4
217.40932	0.5
232.13409	2.3
244.20563	7.5
246.14899	2.1
260.16479	4.2
272.20059	23.2
273.20395	0.8
290.21133	2.6
316.22690	0.9
324.65744	0.5
358.27374	2.1
386.26880	62.8
387.27158	5.0
404.08176	1.3
404.27936	100.0
405.07898	0.6
405.22443	3.0
405.28247	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2798
Annotation	Aconasutine
Peak:m/z	Relative Intensity
50.71686	0.8
55.05513	1.2
64.30055	0.8
67.05488	1.7
69.07065	2.1
73.02895	1.6
73.06555	1.2
79.05510	1.1
81.07067	1.4
91.05486	1.0
95.04978	1.3
104.99245	1.2
105.07026	1.3
106.06558	3.3
118.06540	6.6
130.06541	1.1
131.07318	4.3
132.08089	2.5
134.09671	1.6
135.04402	2.2
145.08888	0.9
146.09631	5.4
151.07567	1.2
160.11226	8.3
162.12825	1.0
172.11269	1.1
174.12770	1.3
232.13348	1.9
244.20612	7.1
246.15034	1.4
260.14120	0.9
260.16415	4.9
262.98297	1.2
272.20081	26.4
273.20447	1.1
290.21234	2.3
349.28400	0.9
358.27466	3.8
362.47455	0.9
386.26880	68.4
387.27286	5.9
404.08362	2.0
404.21313	3.8
404.27960	100.0
405.08038	1.4
405.13412	1.0
405.22461	4.2
405.28259	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01874	2.1
55.05509	16.9
57.03439	14.6
57.07076	3.5
64.78695	2.0
67.05508	83.6
68.05806	2.1
69.07082	14.7
70.77457	1.9
71.05024	2.7
71.08633	8.7
76.62685	2.1
79.05497	26.5
81.03418	5.2
81.07059	44.1
83.04994	6.8
83.08626	11.7
85.06567	4.0
91.05482	20.0
93.07049	35.2
95.04958	9.7
95.08606	21.2
97.06533	9.0
97.10151	8.7
98.22929	4.2
98.97553	7.0
99.08098	8.9
103.03927	5.2
105.07036	11.6
107.08590	15.3
109.06525	3.7
109.10159	52.8
111.08099	5.6
116.98636	4.8
117.06996	4.3
119.08606	14.5
121.10136	10.1
123.08006	2.5
123.11721	3.5
125.09628	6.3
131.08580	6.7
133.10138	10.2
135.11626	5.5
137.05960	4.4
137.09610	3.2
139.11142	3.5
145.10143	3.8
147.11684	5.5
149.13274	12.3
151.07545	4.4
151.11206	6.2
152.07896	4.2
155.10670	4.9
159.11699	11.0
161.09634	3.0
161.13255	7.9
163.11188	5.1
165.12648	2.1
170.99704	2.4
173.11780	26.2
177.12755	8.9
179.14252	3.9
182.09027	2.7
189.11183	3.6
192.24495	2.0
195.13754	3.1
227.12697	8.0
229.14354	100.0
230.14630	2.8
235.02722	4.9
253.03845	7.9
259.20587	4.8
269.17459	40.4
269.69958	2.2
270.06927	2.3
277.21625	15.8
351.14264	2.3
351.25360	24.4
372.28995	3.6
388.32294	2.8
404.08456	4.3
404.17361	4.0
405.22214	15.5
405.26920	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16537	5.7
55.01862	10.8
55.05509	57.1
56.05035	7.5
57.03115	5.0
57.03428	24.5
58.18229	4.7
67.05161	6.6
67.05505	96.4
69.03415	7.1
69.07057	33.0
70.37233	14.2
71.08621	48.3
77.03970	6.4
79.05487	55.1
81.03405	7.3
81.07053	85.4
83.04960	16.7
83.08176	6.6
83.08598	31.4
91.05483	42.2
93.07036	67.4
95.04980	19.0
95.08610	37.7
97.06545	17.4
97.10178	30.0
99.08099	33.5
105.07009	28.2
107.04943	7.5
107.08580	41.1
109.10153	13.2
117.07031	16.7
119.08580	25.0
121.06503	6.4
121.10118	18.5
123.08137	7.6
125.09665	30.3
128.06265	5.3
129.07025	7.5
131.08571	18.0
133.10139	21.7
135.11647	13.3
140.14308	6.9
142.32835	6.1
143.08548	10.2
145.10080	9.9
147.11681	10.7
149.13264	23.8
151.11162	16.5
157.10118	7.1
159.11682	17.8
161.13286	17.5
163.11180	15.5
171.10252	8.6
171.11673	8.2
173.11752	18.6
175.14839	5.4
177.12773	15.2
179.14302	15.1
189.11226	20.9
195.13821	9.8
217.15907	7.3
227.12759	37.5
229.14224	8.0
241.19624	11.0
245.13918	11.3
248.17789	6.3
253.17992	10.7
259.20520	13.1
269.17453	100.0
277.21606	47.5
286.20193	29.8
311.52603	6.2
351.25345	82.1
369.24979	6.5
387.25034	12.2
404.14331	6.9
404.20303	7.2
405.22324	22.6
405.26749	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.9
66.22327	0.8
67.05499	1.8
79.05501	1.3
81.03428	0.9
81.07046	1.9
91.05485	1.1
93.07057	1.2
93.49819	0.8
95.08613	1.3
97.06594	0.7
104.99277	2.2
105.07061	1.2
107.08653	0.9
118.06544	2.7
119.08573	1.0
121.06467	0.8
123.00574	1.1
128.97742	0.7
132.08096	1.6
146.09743	1.5
150.09203	0.9
151.07520	1.7
156.60965	0.7
164.91997	1.1
182.52367	0.9
190.16075	0.8
210.73311	0.7
244.20587	1.0
246.14650	0.7
247.83218	0.7
272.20084	6.5
273.20444	1.7
283.05994	1.4
290.21143	2.8
291.21338	1.1
293.08228	1.2
339.86093	0.8
355.15347	1.1
386.26962	6.2
387.27341	1.8
404.22717	0.9
404.28015	20.6
405.05780	100.0
405.22427	12.7
405.28171	11.1
406.06168	7.1
406.22614	0.9
417.31259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.155
Annotation	Nitidanin
Peak:m/z	Relative Intensity
55.01873	16.0
65.03944	6.9
65.94556	0.9
67.05508	4.6
69.03414	1.2
69.07076	1.0
69.16590	5.7
71.04967	1.2
77.03935	1.2
79.05502	6.9
81.03436	0.8
81.07032	0.9
82.04197	2.3
84.62762	0.8
85.02896	4.6
85.18942	0.9
91.05503	4.4
93.03408	1.7
93.07042	2.1
95.04967	7.2
95.08611	1.2
97.06532	3.4
98.23425	2.1
103.05473	7.7
105.04492	1.6
105.07021	1.9
106.43665	0.9
107.04959	7.8
108.05744	1.3
110.03644	2.6
111.04458	2.2
115.05476	1.7
117.03379	1.0
117.07046	2.5
119.04954	1.1
121.06512	3.7
122.03673	1.6
123.03625	1.6
123.04438	16.6
124.05251	1.6
125.05988	3.6
128.06256	1.4
129.07014	9.3
131.04945	13.3
131.08588	1.2
133.06494	1.3
135.04417	36.2
136.05110	0.9
137.05949	3.0
138.03133	3.0
139.03862	1.2
140.04683	3.9
142.02654	1.0
143.04829	1.3
145.06479	6.0
147.08032	1.0
149.02362	1.1
149.05981	6.7
151.03831	0.9
151.07556	25.7
153.05472	8.6
155.07016	2.9
157.06508	10.0
159.04398	2.9
159.06743	1.0
159.08038	2.3
161.05986	9.8
162.06314	0.9
163.03925	1.2
165.09099	1.2
167.07034	20.6
168.04196	1.9
171.06548	6.9
173.05994	8.9
173.09494	1.2
174.06712	1.3
175.07602	2.3
176.08195	1.3
177.05490	20.6
177.09093	3.4
179.07086	2.7
179.10703	1.4
181.04958	100.0
181.08415	2.8
182.05298	2.7
183.06535	35.9
184.07053	1.0
185.06029	2.5
186.06720	1.6
187.07524	11.2
189.09094	2.4
190.09827	1.3
191.07011	1.2
193.08708	1.0
197.06073	1.2
203.07005	4.5
203.10579	1.9
205.08601	1.2
209.08101	30.6
210.08498	1.1
215.07065	7.3
215.10583	1.7
217.12225	8.0
233.08075	13.1
234.08569	1.3
249.09128	1.1
259.09747	1.0
273.15067	1.0
279.10287	1.2
291.10254	1.1
319.09579	1.5
323.12775	1.9
337.10510	2.6
339.12198	2.6
355.15515	1.5
357.13254	2.1
369.13416	12.6
370.13620	1.4
387.14310	46.4
388.14694	4.2
405.18967	1.1
405.23611	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66311	0.4
55.05522	0.5
67.05503	0.9
69.07063	0.7
70.06586	0.5
75.20377	0.4
79.05482	2.5
80.05016	1.0
81.03412	0.8
81.05804	0.6
81.07068	0.6
82.06572	1.2
91.05489	2.1
92.05742	0.5
93.07051	5.3
94.06567	5.1
94.32786	0.4
95.01318	1.2
95.04975	1.4
95.07346	5.1
95.08607	0.5
96.08135	11.5
97.06531	1.7
103.05466	2.1
104.07080	0.4
105.04538	0.7
105.05766	0.6
105.06992	0.7
106.06529	1.9
107.04987	0.7
107.07334	1.4
107.08614	0.6
108.08119	7.9
108.86428	0.4
109.08894	0.9
109.10117	0.6
110.09679	19.5
112.03934	0.3
118.06524	1.1
119.08581	0.6
120.04462	0.7
120.08104	43.3
121.06506	1.0
121.08935	7.6
121.10125	0.7
122.02394	0.7
122.09643	1.3
123.06808	1.1
124.07614	4.9
131.04916	0.5
131.07330	1.1
131.08563	0.6
132.08011	0.4
136.07565	1.6
137.05962	0.7
138.09137	100.0
139.09450	3.7
146.09618	3.0
148.03922	4.9
148.05003	0.5
148.07570	4.8
149.08400	0.9
150.05615	0.4
150.09123	0.8
151.07559	0.5
152.03505	0.5
152.07045	1.7
163.07544	0.7
166.08630	8.1
167.07054	3.1
167.09178	0.5
174.09134	4.8
180.06544	3.2
181.05031	0.4
181.08553	0.4
186.07658	0.8
188.10591	0.4
190.13120	0.4
192.10236	1.3
194.09595	0.5
202.08604	0.4
208.06039	3.6
209.08336	0.4
211.12172	0.4
220.09706	1.7
222.09213	0.8
224.09419	0.4
225.10269	0.8
227.02762	0.4
239.11761	1.3
240.08649	1.2
250.08722	0.5
252.09032	0.9
253.09671	0.6
257.13004	0.5
267.11276	2.7
277.09015	0.5
281.09241	0.4
282.11356	0.5
285.12347	1.7
290.14771	1.4
296.09085	0.5
299.13892	1.4
300.12085	0.4
308.15680	0.6
317.14941	1.4
327.09662	0.5
327.13361	0.7
328.11642	0.8
331.16443	0.6
334.13724	1.2
352.14706	0.8
355.09213	0.9
359.16006	21.4
360.16296	1.4
373.13940	1.4
377.17081	15.2
378.17303	1.5
387.15399	3.3
405.16415	6.9
406.16696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	(-)-Dihydroclusin
Peak:m/z	Relative Intensity
51.02371	0.7
51.21909	0.4
52.22706	0.3
53.03947	0.5
54.12589	0.3
63.32724	0.4
69.57018	1.4
75.04495	0.3
77.03904	1.9
79.05490	4.1
91.05476	2.1
95.04970	2.9
103.05454	1.2
105.03374	1.3
105.04513	1.2
105.06999	2.0
107.04932	0.4
109.06495	0.5
115.05453	0.8
117.07016	0.8
119.04954	0.8
120.05724	0.5
121.06512	1.0
123.04432	1.0
128.06209	1.2
129.07001	2.0
131.04933	2.1
131.08562	0.5
133.06477	4.2
135.04407	100.0
136.04630	2.9
137.05989	2.8
138.06757	1.0
143.04814	0.4
143.08595	1.7
145.06491	1.6
147.04523	0.4
147.08051	1.5
148.05177	6.5
149.05998	1.8
151.03874	0.8
151.07555	2.7
152.08228	0.4
157.06416	1.8
159.08037	1.0
160.05214	0.7
161.05989	4.3
163.07542	3.5
165.05501	0.9
165.09106	0.8
166.06261	6.2
167.06969	1.7
168.07773	0.4
171.07968	2.0
173.05954	1.5
174.06638	0.4
175.07536	2.1
176.08337	2.9
177.09067	2.4
180.07742	0.6
181.08585	45.1
182.08934	1.5
185.05956	0.7
186.06621	0.4
187.07561	3.9
188.08247	0.5
189.09058	1.7
190.09865	1.5
191.07027	0.7
192.07834	0.6
193.08603	1.8
194.09395	0.4
194.35414	0.4
195.10150	2.6
200.08411	0.6
201.09087	4.2
202.09785	1.7
203.07056	0.6
203.10635	0.8
204.07497	0.3
205.08585	1.4
206.09428	0.9
207.10144	5.9
208.10440	0.4
216.11470	1.3
217.08525	0.4
219.10136	0.9
221.11781	1.5
233.11745	3.7
235.09557	0.4
247.13257	1.3
251.12782	1.2
319.62244	0.4
338.15024	2.4
339.15845	1.1
354.14572	7.6
355.15051	0.6
369.16934	9.0
369.21301	0.7
370.16992	0.8
405.08643	2.0
405.22446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05510	6.8
57.03434	4.6
57.07074	3.8
62.40220	0.5
67.05505	6.4
69.03405	2.0
69.06719	0.7
69.07064	9.1
69.12371	0.5
70.53740	1.0
71.04951	1.1
71.08601	0.9
79.05490	5.3
79.52477	0.6
81.07054	13.8
83.04943	2.5
83.08585	2.6
85.06549	0.7
91.05471	4.0
93.07045	10.3
95.04948	1.3
95.08047	1.0
95.08605	16.5
97.06518	1.2
97.10146	1.0
98.23347	0.7
104.99261	2.8
105.07020	6.8
106.07327	0.6
107.04947	1.2
107.08595	15.3
109.06527	2.7
109.10152	4.6
111.08037	0.9
117.06999	1.2
119.07767	0.7
119.08573	11.8
121.06480	2.4
121.10145	11.2
123.08074	8.9
123.11732	2.9
131.08539	3.8
133.10101	6.9
135.08063	9.0
135.11699	4.8
136.08842	2.8
137.09642	4.2
137.13229	3.6
143.08517	0.6
145.10104	4.0
146.61752	0.5
147.11691	3.9
149.09608	5.7
149.13278	3.0
151.07539	2.4
151.11111	0.7
151.14810	0.7
152.07843	1.3
153.08026	0.6
159.11658	2.4
161.13216	3.8
163.11169	1.4
163.14821	5.6
165.12747	3.7
173.13283	3.4
175.01511	1.0
175.10995	0.7
175.14842	3.0
177.12733	1.8
177.16391	0.6
179.14330	4.5
181.08609	1.2
182.08934	1.0
183.09027	0.9
191.14279	7.1
201.16264	0.8
205.15843	1.1
262.98077	1.0
275.20010	0.9
275.27237	0.7
285.25787	1.6
303.26804	26.1
313.25342	1.4
331.26297	100.0
332.13406	1.8
332.26697	6.2
349.27322	3.8
369.24332	0.7
387.20459	0.6
388.19617	1.8
405.22443	89.5
405.30112	14.3
406.22791	7.7
406.30054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
57.03430	1.5
57.07066	1.0
67.05500	2.9
69.03427	0.5
69.07069	2.5
70.06571	0.4
79.05499	1.7
81.07053	3.5
83.04985	1.1
83.08619	0.6
91.05489	1.1
93.07041	2.5
95.04971	0.5
95.08605	4.3
97.06538	0.5
97.10141	0.5
104.99306	1.5
105.07002	1.5
107.08597	4.3
109.06503	1.1
109.10146	1.5
119.08572	3.4
121.06484	0.5
121.10136	3.1
123.08068	2.3
129.07051	0.3
131.08528	0.7
133.10126	2.0
135.08067	2.5
135.11702	1.5
136.08781	0.4
137.09619	1.4
137.13242	0.8
141.79031	0.3
145.10080	0.9
147.11673	1.0
149.09589	1.7
149.13240	0.9
151.07521	1.1
151.11214	0.4
152.07892	1.0
158.10876	0.3
159.11754	0.5
161.13277	0.7
163.14812	1.4
165.12717	1.0
173.00894	0.4
173.13161	0.5
175.14827	0.9
179.14305	1.7
182.08858	0.4
191.14275	1.7
262.98233	0.6
278.68042	0.4
285.25882	0.4
303.26831	7.6
304.27090	0.3
313.25403	0.4
331.26279	28.5
332.26422	2.1
340.99823	0.4
349.27176	0.8
365.16245	0.4
369.13589	0.5
369.24359	0.6
387.14606	0.3
387.25226	0.4
388.32047	1.1
405.22412	100.0
405.29883	3.1
406.22882	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.3
56.96559	1.7
58.61406	1.2
67.05499	1.7
76.07446	1.0
76.90945	1.0
79.05485	2.4
81.07063	1.7
83.08587	1.6
91.05473	1.5
93.07037	1.8
95.08587	1.4
104.99275	4.3
105.07061	1.6
116.98685	1.2
119.08607	1.1
135.04436	5.5
149.09680	1.4
151.07520	6.5
167.06999	1.8
181.08614	1.4
241.20840	1.1
255.09004	5.8
272.20190	1.8
273.10260	2.2
273.20599	3.9
318.17627	3.3
336.18558	3.1
347.15506	2.3
355.15320	2.2
363.04248	1.5
365.16141	5.6
383.17496	4.6
387.27286	4.9
405.09140	4.5
405.22543	100.0
405.28033	14.0
406.22903	6.4
410.52869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05508	6.8
57.03434	5.0
57.07076	3.3
60.75486	0.5
67.05499	3.5
69.06709	0.7
69.07065	8.9
71.08633	1.3
76.98919	0.4
78.11103	0.3
79.05488	1.6
81.07053	4.5
83.08618	6.3
85.10168	0.7
93.07026	2.6
95.08603	2.3
97.06534	1.0
97.10165	4.8
98.22698	0.8
107.08579	1.3
109.10157	1.0
111.08043	0.4
111.11706	1.9
111.37978	0.4
112.87275	0.3
113.00013	88.6
115.37064	0.4
121.10145	3.3
121.41253	0.4
123.11722	0.8
123.74828	0.4
131.01070	0.5
134.77620	0.4
135.11670	2.5
137.13307	0.8
139.01561	0.8
149.13234	0.6
149.38873	0.3
154.02525	0.4
169.02606	100.0
170.02943	1.3
219.21046	1.2
237.22108	6.6
251.27164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01872	3.7
55.05511	6.7
57.03437	4.9
57.07074	3.0
60.61927	0.3
62.60373	0.3
64.26833	0.3
67.05506	4.0
68.02341	0.3
69.07066	8.3
69.70953	0.6
70.67056	0.3
71.08627	1.8
79.05499	1.8
81.07049	3.8
83.08620	7.8
84.08989	0.3
85.10176	0.5
88.70255	0.3
91.05466	0.3
93.07030	2.3
95.08597	2.6
97.06525	0.8
97.10172	4.9
107.08578	1.4
109.10159	1.1
111.08076	0.7
111.11694	1.6
113.00014	89.4
114.00385	0.3
121.10135	3.9
123.11684	0.9
125.13249	0.5
131.01076	0.7
132.32431	0.3
135.11693	2.3
137.13248	0.6
139.01541	0.4
149.13260	0.9
151.01508	0.4
154.02519	0.4
169.02609	100.0
170.02902	1.4
219.21060	1.3
221.66464	0.3
230.77109	0.3
234.99075	0.3
237.22113	6.9
238.22466	0.3
268.22244	0.3
273.54492	0.3
323.19464	1.1
405.23990	1.0
413.71915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	39.6
55.67515	7.3
56.96567	13.6
57.03466	9.3
58.20229	7.8
61.81325	7.3
67.05517	24.6
69.07073	11.3
79.05509	20.2
80.94865	26.4
81.07069	37.7
83.08603	8.1
86.09721	11.9
91.05516	21.8
93.07063	23.2
95.08617	11.8
97.06580	11.3
97.10196	10.8
99.67387	8.4
100.21725	8.3
104.99313	10.4
105.07063	17.8
107.05016	10.2
107.08620	19.2
109.06542	21.6
109.10132	11.1
117.07074	13.0
119.08617	22.5
121.06519	12.1
121.10159	17.2
123.08109	9.1
125.09634	13.7
128.98553	8.0
131.08614	14.9
133.10155	23.4
135.08063	8.0
136.07635	16.7
137.36188	8.2
145.70749	8.7
147.11679	9.0
149.09674	10.6
166.08882	7.8
191.14351	10.2
199.06377	8.8
217.07574	8.6
217.15959	9.8
314.07315	7.7
323.16098	10.6
328.02771	8.4
332.16257	26.3
333.19272	8.6
349.16980	13.3
350.17258	82.3
364.18686	19.3
369.24155	19.9
382.19836	100.0
387.15750	10.3
405.23053	30.3
405.30835	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70727	7.6
55.05515	16.3
56.96569	10.4
57.07084	9.5
62.05956	9.3
67.05516	13.9
69.07055	15.8
69.23393	8.9
69.89824	29.6
79.05492	26.7
80.78980	9.1
81.07051	41.6
90.22204	9.6
91.05483	19.9
93.07034	25.8
95.08585	18.7
100.10416	9.8
104.99277	45.8
105.07030	13.9
107.08578	16.9
108.33319	8.8
119.08599	19.0
121.10140	9.3
125.09595	10.0
129.07014	12.6
131.08560	20.2
133.10164	10.0
135.08051	10.3
145.10107	15.2
147.11751	13.2
149.09648	15.2
168.34016	10.2
179.14241	10.9
181.69312	11.1
226.17073	8.8
353.74777	11.1
369.24075	17.7
387.25150	73.6
388.25446	11.3
405.24103	100.0
405.30170	43.1
406.24585	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05514	5.1
57.03444	4.9
57.07062	2.2
63.63784	0.6
67.05489	3.6
69.07063	8.5
70.06237	0.9
70.06594	13.5
71.08629	1.4
79.05484	3.0
81.07059	6.0
83.08632	4.7
85.10203	0.6
93.07052	4.1
95.08610	3.6
97.06543	1.1
97.07652	0.8
97.10169	4.8
107.08598	2.9
109.10167	1.7
113.00016	100.0
115.08695	18.7
119.08605	1.1
121.10131	4.7
123.11750	1.6
129.11308	0.8
133.10141	1.1
135.11693	2.3
140.39352	0.6
149.13275	1.0
151.07393	0.6
154.02681	0.8
169.02614	91.6
170.02986	0.8
210.54533	0.7
213.04170	0.7
219.21124	0.6
223.13127	5.5
237.22113	4.3
256.99551	0.7
273.52228	0.7
289.17661	0.9
307.18768	5.5
387.22070	2.7
387.29999	0.9
405.17130	5.8
405.26138	89.8
405.30246	3.5
406.26361	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05511	6.1
57.03449	4.2
57.07080	1.7
67.05495	2.7
69.07068	6.4
71.08639	1.3
71.22933	0.7
79.05504	2.7
81.07065	3.2
83.08631	4.0
93.07041	2.8
95.08590	2.8
97.06530	1.2
97.10191	3.5
105.07008	0.7
107.08570	1.0
109.10190	1.2
111.11761	0.7
113.00022	70.0
119.08549	0.7
121.10156	2.6
123.11796	1.2
133.10118	0.8
135.11714	2.0
147.11702	0.5
149.13213	0.6
169.02621	67.1
193.12091	0.9
219.21024	1.5
235.13095	0.9
237.22119	3.2
253.14104	0.7
298.09943	0.6
319.18857	3.7
387.21890	1.8
405.26154	100.0
406.26379	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60374	1.2
53.03941	3.6
55.01871	5.9
55.05511	44.9
56.95005	1.2
57.03428	3.4
57.07084	2.4
59.04997	1.9
63.84955	1.4
65.03951	3.7
67.05502	65.5
69.03430	1.7
69.07063	34.3
69.55634	5.4
70.06597	1.9
71.05001	7.0
72.11655	1.2
77.03938	3.4
79.05492	53.9
79.05949	3.0
81.03411	2.3
81.07055	70.5
83.04987	6.0
83.08617	34.7
85.06548	5.4
88.16310	1.4
91.05475	78.0
93.07041	54.0
95.04965	13.2
95.08598	38.0
97.06535	8.5
97.10165	10.1
99.08074	3.1
103.05511	2.6
105.04526	4.0
105.07028	58.5
106.66174	1.4
107.04961	8.7
107.08595	22.8
109.06519	5.3
109.10149	12.6
111.08074	10.0
115.05443	9.2
116.06239	5.0
117.07018	57.5
119.04932	2.8
119.08575	37.2
121.06510	10.7
121.10139	20.5
123.08097	9.0
123.11694	3.0
125.09650	4.6
127.07575	1.8
128.06190	11.8
129.07001	63.3
130.07726	2.5
131.08563	100.0
132.08928	2.5
133.06487	8.0
133.10132	18.8
135.08032	6.8
135.11676	8.0
137.09628	1.9
139.11192	10.7
141.06979	22.7
141.09123	3.3
142.07748	7.2
143.08560	50.3
144.08986	1.5
145.06487	7.4
145.10120	30.1
147.08063	7.7
147.11641	8.1
147.53407	1.4
149.09605	8.7
149.13226	1.8
153.07001	2.6
154.07886	2.4
155.08551	31.0
157.06476	4.4
157.08766	2.8
157.10101	23.3
159.08086	5.4
159.11667	14.7
161.09656	5.8
161.13290	4.5
163.11165	4.5
165.07014	2.9
166.07784	3.6
167.08563	14.7
167.10799	1.6
169.10120	16.9
171.08049	3.0
171.11694	11.2
173.09590	2.8
173.13280	4.1
175.09714	5.2
175.11226	3.9
177.12766	4.9
179.08553	5.9
180.09337	2.7
181.10139	13.2
181.11629	1.9
182.10727	1.7
183.08113	2.1
183.11679	13.4
185.09586	3.8
185.13202	9.1
187.11186	4.8
189.12747	2.7
191.08530	2.0
193.10170	6.0
193.12225	2.3
195.11734	15.6
195.13640	2.9
197.13252	8.3
199.11230	2.9
199.14804	3.9
201.12785	2.7
201.62140	1.4
203.12718	3.8
203.14375	2.2
205.10301	2.4
205.12270	3.1
207.11742	6.0
207.13608	1.4
209.13266	12.1
211.11217	2.9
211.14838	5.8
213.12712	3.9
213.16452	4.0
215.14294	2.2
219.11729	2.5
219.13773	2.4
221.13243	12.3
221.15131	2.0
223.14822	17.7
225.12741	5.0
225.16461	3.0
227.14348	4.0
229.15941	1.8
231.13889	3.1
233.13293	3.0
233.15344	16.0
235.14940	7.1
235.16980	1.7
237.16393	3.9
239.14326	9.8
241.15819	6.6
243.13791	2.8
245.15401	4.3
247.14786	2.7
247.16971	5.9
249.16405	2.8
249.18658	1.8
251.14223	1.6
253.15935	4.6
253.81264	1.7
255.17485	1.6
256.26346	2.8
257.15433	11.7
259.16974	7.1
261.18533	2.4
267.17471	1.6
271.16895	12.5
273.14746	1.5
273.18561	2.8
275.16330	1.9
283.16788	1.6
285.18463	4.5
291.17395	1.6
300.28961	1.7
305.22696	4.2
315.21039	4.7
323.20334	1.8
323.23566	6.6
333.22125	20.1
341.24597	12.6
342.24527	1.6
344.31546	2.1
351.23160	46.8
352.23438	3.7
354.27740	1.4
359.25754	3.7
369.24207	34.2
370.24652	2.0
377.26602	2.1
387.25262	45.1
388.25668	3.5
392.80551	1.3
405.22211	1.3
405.26526	9.9
406.35199	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
57.03394	0.9
58.71657	0.8
66.95483	0.7
69.03432	0.7
70.01091	1.8
71.01351	1.5
79.05476	1.7
81.07040	1.8
82.62057	0.6
83.04959	1.2
84.04514	0.7
84.36243	0.7
85.02895	0.9
85.10565	0.8
91.05484	2.4
93.07045	1.0
95.04966	1.7
95.08615	1.1
97.06535	1.4
99.04515	0.8
105.07039	1.5
107.08580	1.2
109.06511	1.7
109.10180	0.8
117.05740	0.8
117.06998	0.7
119.08542	1.3
121.06502	5.0
121.10159	1.3
131.07336	1.4
131.08578	0.9
133.05244	1.3
133.10118	3.3
134.06047	0.9
135.08076	1.0
136.07570	25.9
136.08627	1.3
137.05965	0.9
137.07895	1.0
138.09134	3.1
139.07555	1.3
145.06442	0.8
145.10106	0.8
146.06013	3.2
147.06802	4.3
147.11710	1.7
148.07558	9.9
158.05786	6.7
160.07571	2.9
162.05458	4.0
162.09142	18.2
163.14856	0.9
164.07059	8.6
171.06287	19.1
172.07655	1.8
173.13289	1.8
175.06314	1.7
176.07079	2.7
186.05290	1.4
190.08609	27.0
191.14317	3.3
192.06548	6.0
200.07095	2.8
208.09657	6.1
209.15378	5.3
214.04784	1.7
214.61559	0.7
218.08110	4.4
227.12881	1.3
227.16333	3.9
236.09166	21.1
237.09473	1.2
258.07373	91.2
259.07657	4.5
276.08237	1.3
294.05212	0.7
372.32739	0.8
406.14700	100.0
407.15115	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
56.96565	24.3
59.78162	0.8
61.25649	0.8
67.05493	1.1
68.57763	0.7
69.07065	1.8
69.95046	1.9
69.95379	0.8
71.95266	1.9
74.68336	0.7
75.85907	0.7
81.07034	1.0
97.95880	0.9
110.97569	2.1
115.00693	2.3
116.06280	0.8
121.10158	0.8
123.01194	0.8
127.00688	1.1
128.98596	2.5
129.02225	4.3
131.08603	0.8
131.55428	0.8
133.01759	1.4
135.04370	2.1
141.02235	1.1
143.03764	1.2
146.99696	1.2
147.03297	4.0
151.00621	1.1
151.07541	11.7
153.02261	1.9
155.03802	3.2
159.03342	1.7
161.04797	1.4
167.03761	1.1
169.01724	1.9
171.03268	3.7
173.04866	4.2
181.05296	1.8
185.04857	3.4
189.04407	4.8
191.05917	1.5
199.06441	6.4
201.07977	3.0
203.05873	3.2
205.07376	0.8
211.06531	1.0
211.09906	1.7
213.08012	1.7
215.05748	0.8
217.07460	2.5
217.78369	0.9
219.09094	1.4
222.19780	0.8
225.07979	1.5
227.05922	2.3
229.07510	0.8
231.09068	1.2
237.07924	9.6
237.10039	0.8
239.09480	3.4
241.07425	1.5
243.08994	6.5
249.08043	1.1
249.18341	1.0
255.09038	100.0
256.09390	3.4
257.10519	2.6
261.10114	4.2
265.07300	1.8
267.09006	2.4
268.09427	1.0
273.10095	43.1
273.20361	2.1
274.10306	1.4
278.10696	8.6
283.08569	5.3
285.10059	3.2
295.08459	2.6
295.11987	1.5
296.11636	1.9
301.09610	2.8
313.09537	2.2
323.15100	1.2
329.14285	7.3
347.15240	18.7
348.15753	1.5
360.29297	1.0
365.16327	55.5
366.16733	4.0
370.16595	0.9
371.17984	0.9
383.17395	26.7
384.17636	1.9
388.17654	1.6
388.27463	2.4
405.28439	4.1
406.18967	3.3
406.22876	3.4
406.28864	10.4
407.23926	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05502	2.2
56.05032	3.8
57.03426	3.9
58.99580	6.3
60.08200	1.1
67.05492	3.7
69.03429	3.2
69.07053	4.9
69.70373	3.5
70.06592	2.1
71.04994	8.9
72.08167	1.5
73.01122	1.3
76.02229	6.9
79.05493	11.3
81.07052	10.8
83.04997	1.8
84.04504	17.1
84.08150	1.4
85.01125	1.0
85.02908	7.4
85.06534	8.4
86.00663	2.3
86.99051	4.1
87.02682	1.7
91.05470	7.4
93.07043	10.3
95.04967	5.3
95.08584	2.5
96.08124	1.1
97.02893	1.5
97.06521	3.2
98.09692	6.6
99.04451	7.4
99.08096	4.2
100.04848	2.2
100.21484	1.1
102.05553	2.3
105.07050	8.2
107.04951	4.8
107.08596	15.7
109.06503	1.5
109.10158	1.9
111.04424	1.5
112.03970	2.1
113.02335	1.0
113.04263	5.0
113.08817	1.1
116.01678	13.7
117.07034	1.6
118.08631	2.1
119.08594	4.8
121.06516	11.7
121.10165	6.2
123.04446	1.9
123.08076	1.5
125.05988	2.3
125.40860	1.0
130.05014	4.6
130.06834	2.0
131.08571	58.7
132.08913	2.1
133.10065	1.4
135.08090	1.6
135.11649	1.6
137.05919	1.0
137.09616	1.4
139.05664	1.1
139.07545	1.4
141.05482	1.2
142.03133	0.9
142.05074	1.3
144.01144	5.0
145.10115	16.7
147.07988	2.0
149.05995	1.8
149.09621	23.4
151.03893	2.3
153.05481	4.2
155.07042	1.1
156.08440	10.4
156.10178	6.3
157.06836	3.9
162.02217	10.2
163.11171	9.5
165.09142	2.9
167.07051	22.5
167.10699	2.9
170.02750	1.2
173.09621	2.1
173.13258	2.1
174.09515	6.2
175.14752	1.3
177.05484	1.9
179.04855	4.2
188.03651	1.1
191.10667	26.1
191.14273	1.2
207.06635	1.5
208.06973	1.6
209.08231	4.0
209.11729	100.0
210.11951	3.8
216.06912	3.4
226.15181	1.6
227.09201	10.6
227.12724	13.4
244.16231	1.2
251.12555	1.4
259.11139	60.9
260.11560	1.9
262.39023	1.2
285.12659	1.4
290.53961	1.1
303.08649	1.2
313.12204	2.5
331.13126	2.1
406.15814	1.9
406.19559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94430	1.8
55.92930	2.0
65.03883	1.9
67.05525	2.3
69.07057	3.4
70.17515	2.3
70.17836	3.6
71.04982	10.2
79.05489	11.0
81.07053	4.0
83.04962	4.4
89.96485	2.1
91.05476	10.0
93.07027	15.1
95.04953	4.9
98.97612	2.8
105.07032	14.0
107.04943	4.3
107.08575	19.6
107.26910	2.4
108.63940	1.9
117.07007	3.4
119.08566	6.7
121.02856	4.8
121.06499	16.3
121.10116	14.4
125.06001	3.6
131.08562	92.9
133.10126	6.1
139.60146	2.3
145.10118	26.1
149.06004	2.4
149.09616	34.8
151.11142	4.4
153.05437	3.9
161.13226	4.3
163.11162	11.1
165.09207	4.1
173.09641	2.1
173.13268	7.6
191.10635	24.8
191.14331	6.0
209.11708	100.0
324.28879	2.5
347.13733	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95054	1.2
55.01857	2.2
55.65968	1.2
57.07068	4.0
57.75513	1.4
64.79631	1.1
67.05504	8.3
69.03438	3.9
69.07049	1.9
69.28801	6.0
71.04980	7.8
79.05491	9.5
81.03408	2.0
81.07057	2.3
83.04980	2.7
85.02898	14.9
85.06543	64.1
87.47882	1.4
91.05480	7.3
93.07055	11.3
95.04984	2.9
97.02902	3.1
97.06521	2.3
98.20199	1.0
99.08080	4.7
105.07011	9.2
107.04946	4.5
107.08597	12.4
109.02877	2.3
109.06503	2.7
111.04460	6.1
117.07019	3.2
119.08585	9.1
121.06510	7.4
121.10149	11.1
125.05955	2.8
127.03966	2.1
129.07007	3.3
130.25342	1.4
131.08563	37.4
132.08920	1.5
135.04390	1.4
135.11679	2.2
137.05998	1.3
137.09639	4.4
141.28462	1.3
143.07114	1.5
145.04860	2.3
145.10130	15.5
147.08005	3.0
149.09612	33.6
163.11197	12.7
165.09109	6.8
167.07103	1.1
167.10674	17.3
173.09634	2.9
191.10664	38.3
192.11040	2.1
197.11659	1.9
209.11708	54.3
210.12036	1.6
227.12766	100.0
228.13153	5.8
299.34848	1.3
324.40436	1.3
428.30484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01874	2.0
55.05506	2.2
56.85445	0.8
57.03436	2.2
58.53232	0.8
61.02921	2.5
61.21843	0.8
63.49176	0.8
67.05514	2.5
69.03424	5.0
69.07065	5.1
71.04993	6.8
71.46371	0.8
79.05490	12.7
81.03413	2.2
81.07057	3.9
83.04989	3.9
85.02900	13.9
85.06544	1.3
91.05494	5.2
92.05762	0.9
93.07043	11.3
95.04955	2.8
95.08598	1.2
95.35852	0.8
97.02881	6.4
97.06529	2.8
103.05486	1.1
105.07027	8.4
107.04961	4.8
107.08598	15.1
109.02871	1.7
109.06519	0.9
109.10181	1.1
110.61398	0.8
111.04442	2.4
111.08007	1.0
111.38200	0.9
117.07014	2.1
119.08568	2.4
121.06503	15.6
121.10150	10.5
123.08074	1.2
125.06020	2.5
125.09623	1.3
127.03912	2.0
129.07126	1.1
131.08560	29.9
132.08844	1.0
133.06520	1.1
133.10139	1.5
135.08032	2.1
135.11685	2.2
137.05942	1.5
137.09602	1.3
139.07619	1.2
143.08597	1.0
145.04994	2.1
145.10126	11.8
147.08029	1.0
147.11716	2.0
149.05978	2.4
149.09610	26.7
151.07581	2.1
153.05461	5.0
161.13254	1.0
163.11168	9.8
165.09113	2.7
167.07065	4.0
167.10651	1.6
173.09624	1.9
179.14326	2.0
181.08553	0.9
181.12253	0.9
191.08945	0.7
191.10638	19.3
191.14240	1.6
192.11107	0.9
209.11717	100.0
210.12048	3.8
227.12761	15.9
353.15491	1.9
378.17197	0.9
405.85336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
57.07066	0.6
58.99565	0.6
61.00867	0.4
61.01151	4.1
62.19981	0.4
62.99073	2.9
67.05174	0.7
67.05503	9.6
68.05810	0.4
69.07062	2.1
69.62830	1.2
69.63187	0.6
69.63429	0.3
70.06591	0.8
70.61093	0.4
71.08632	4.4
73.01104	0.3
73.53640	0.4
73.87881	0.4
77.00629	2.2
79.05505	2.7
81.07038	1.7
83.08591	0.9
85.01103	0.5
87.02700	0.4
88.77254	0.4
89.00613	16.5
93.07101	0.4
97.10171	4.9
99.02651	0.6
99.08077	1.8
101.04248	0.5
103.02177	0.7
106.23425	0.4
107.08578	2.5
109.10152	8.3
110.10472	0.4
118.06541	5.9
132.08055	1.8
133.08882	0.9
134.09541	0.6
146.09624	1.5
146.11668	0.4
159.08383	98.6
159.40419	0.3
160.08727	2.6
176.14339	100.0
177.14644	3.4
231.10448	0.4
231.44455	0.4
280.13660	1.5
300.28925	1.5
344.31223	0.5
389.32629	1.8
406.24097	31.8
406.35150	4.4
407.24280	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01869	5.4
55.05502	12.2
56.56384	2.8
57.03436	4.8
57.07074	6.4
59.04992	3.3
61.02934	4.9
67.05499	13.1
69.03409	11.9
69.07050	9.7
69.41933	11.3
70.06588	4.7
70.61610	2.8
71.04995	8.7
74.91275	2.4
78.78116	2.6
79.05485	9.0
81.03413	7.5
81.07061	13.8
82.15391	2.8
83.04983	17.1
83.08616	7.5
84.04502	4.8
84.08139	8.8
85.02909	30.3
85.06544	38.8
86.06041	3.3
87.04468	3.0
91.05479	12.2
93.07045	13.9
95.04960	12.8
95.08605	10.5
97.02882	10.0
97.06521	9.9
98.22774	5.0
99.04446	4.1
99.08090	3.7
103.05438	3.9
104.71546	3.4
105.07042	13.7
107.04961	5.4
107.08593	21.6
107.09219	3.5
109.06512	19.0
109.10128	16.1
111.08062	3.3
112.07590	8.3
114.09159	5.8
115.97370	3.0
119.08569	13.9
120.08106	8.7
121.06520	7.7
121.10151	22.5
123.08086	4.0
123.11691	7.7
125.06030	3.0
127.03949	2.8
129.06999	5.4
129.10249	7.8
130.08655	44.0
131.04883	3.9
131.08559	38.1
133.10127	27.6
133.53381	2.7
135.08040	6.5
135.11646	5.3
137.05927	6.6
143.08525	3.7
145.04956	3.7
145.10103	17.6
146.08118	3.5
147.11696	13.6
148.06042	6.4
149.09622	31.3
149.13304	3.9
151.11189	17.5
153.09053	6.4
163.11160	8.9
163.14803	5.6
167.07098	4.8
167.10724	15.3
167.11899	3.1
167.14310	19.6
173.13220	15.2
175.14874	4.5
176.09146	3.2
177.05486	4.7
181.04947	16.3
189.08904	4.0
191.10661	26.0
191.14339	13.3
207.13841	3.3
209.08154	6.8
209.11766	44.5
209.15367	100.0
210.15750	5.6
227.12769	66.7
227.16226	16.0
228.13155	4.1
269.10605	3.5
287.11832	3.2
292.13937	32.1
388.23123	6.9
406.16119	3.9
406.24301	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.3
57.03434	4.3
61.02942	4.1
67.05487	4.1
69.03431	9.0
69.07056	8.4
69.44546	11.3
71.04999	3.2
79.05471	3.6
81.03419	2.7
81.07059	4.5
83.04980	5.7
85.02908	26.5
86.09692	2.4
91.05480	9.4
93.05740	2.2
93.07047	15.1
95.04961	3.2
95.08601	9.1
97.02914	4.1
97.06531	4.3
97.98300	2.4
100.11242	12.3
105.07022	13.0
107.08593	31.3
109.06524	5.3
109.10153	9.1
117.07007	6.9
119.08595	19.9
120.08079	2.9
121.10139	23.6
123.08070	3.7
123.11687	2.8
127.03900	2.9
131.08582	31.3
133.10136	39.0
135.08009	11.2
135.11711	13.7
137.09598	6.1
143.08565	3.9
145.10110	16.7
147.11684	32.5
148.12053	3.6
149.09543	2.8
149.13264	29.6
158.10904	12.8
162.09067	2.7
163.14830	12.5
165.12743	9.3
173.13255	85.4
174.13632	5.5
175.14792	3.1
187.59871	2.3
187.71350	2.3
190.08527	4.0
191.12538	5.1
191.14299	100.0
192.14645	3.9
209.15402	29.7
234.11205	2.3
258.07388	7.2
322.71890	2.2
329.16806	2.9
345.91217	2.2
346.84146	2.3
378.23691	2.2
406.14371	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57292	1.5
53.03930	1.9
55.01864	1.9
55.05503	4.7
56.96567	1.5
61.02908	2.1
67.05501	4.3
67.53039	1.2
69.03423	5.6
69.04289	1.4
69.07046	6.7
70.86122	1.6
71.04993	4.6
76.02213	2.3
79.05498	8.9
81.03412	4.1
81.07047	16.4
83.04953	4.2
83.08607	2.9
85.02910	17.4
85.06541	5.2
91.05470	10.7
93.07039	15.9
95.04966	5.2
95.08608	7.8
97.02892	7.1
97.06519	4.2
98.97572	5.3
99.04449	2.1
101.59096	1.4
105.07021	33.2
107.04921	1.9
107.08588	44.1
107.44145	1.3
109.06505	11.8
109.10141	8.3
111.08038	2.3
115.07565	2.8
116.98592	1.7
117.07027	2.7
119.08566	15.1
121.02847	4.3
121.06527	4.7
121.10149	23.8
123.08054	4.4
123.11646	1.5
127.03929	3.1
130.08603	1.4
131.08562	51.8
132.40248	1.4
133.10120	100.0
134.10431	3.9
135.08028	3.9
135.11684	3.6
137.09608	15.8
145.04980	4.3
145.10097	8.6
147.11671	8.2
149.09613	5.7
149.13278	10.5
151.11163	31.2
153.09155	1.4
158.10899	2.5
158.99683	2.5
161.13242	21.8
163.11125	3.5
163.14830	7.1
167.07132	2.1
173.13258	62.5
174.13533	2.4
175.14810	6.5
177.00642	1.7
179.04861	2.4
179.14311	5.5
191.10663	6.7
191.14301	78.9
192.14664	4.2
193.12326	2.0
193.15919	1.7
209.11760	20.9
209.15347	41.8
210.12184	1.8
210.15755	2.6
211.13278	5.3
219.01797	1.8
227.12770	3.6
227.16412	10.4
289.29083	1.4
347.13596	3.2
350.93701	1.4
388.10095	1.5
406.16180	3.1
406.24078	1.9
407.16602	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
54.10653	1.9
55.01868	2.1
55.05514	18.9
57.03424	4.0
57.07073	5.7
61.02925	7.4
65.63240	2.1
67.05508	10.7
69.03425	14.9
69.07071	28.7
71.04990	6.5
73.02904	3.5
79.05494	12.0
81.03413	8.4
81.07061	15.5
83.04990	6.2
83.08615	10.5
85.02906	48.1
85.06531	11.8
87.04504	1.8
91.05479	17.1
93.07035	25.9
95.04958	3.8
95.08614	26.3
97.02899	13.3
97.06534	38.6
97.10139	2.7
105.07019	20.2
107.08595	99.4
108.09423	4.1
109.02878	3.8
109.06507	11.6
109.10149	28.4
111.08080	11.8
113.09665	3.4
114.77695	2.3
117.07058	2.7
119.08583	18.4
121.06510	2.4
121.10143	97.6
122.10496	3.4
123.08070	12.0
123.11705	16.2
125.09639	5.0
127.03916	7.3
127.07519	2.6
129.06987	2.7
131.08575	26.4
133.10124	76.6
133.11151	4.0
134.10490	2.5
135.08043	12.8
135.10751	4.0
135.11697	49.5
135.12648	3.7
137.09610	12.3
137.13281	7.3
139.07552	2.8
141.09120	5.1
143.08566	6.7
143.28542	2.1
145.04971	7.9
145.10144	9.4
147.11652	15.4
149.09631	5.8
149.13280	19.3
151.11166	11.1
153.09106	4.4
155.10666	4.4
158.10918	14.0
163.14815	87.5
164.15141	4.8
165.12781	6.2
167.14380	2.8
169.12288	3.7
173.13257	100.0
174.13670	4.0
191.14314	76.9
191.40733	2.2
192.14647	4.9
209.15363	31.1
227.16447	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05508	2.8
57.03432	3.5
59.04989	1.1
60.12094	0.5
61.02932	1.2
64.02134	0.5
67.05497	2.7
69.03435	5.5
69.07059	2.5
69.72649	1.5
71.01337	0.6
71.04988	4.9
72.81141	0.6
79.05484	1.9
81.03436	3.1
81.07057	4.6
83.04977	9.4
83.08616	1.2
85.02901	9.4
85.06541	1.1
86.09692	0.6
89.06021	2.2
91.03905	0.6
91.05470	2.5
93.07031	4.6
95.04975	1.5
95.08600	4.5
97.02884	3.3
97.06521	1.8
98.22723	0.7
99.04446	1.8
99.08098	0.9
105.07018	6.8
107.07494	0.7
107.08598	11.9
109.02863	1.3
109.06525	1.3
109.10155	7.9
111.08070	2.3
113.22701	0.6
115.07565	0.7
117.07021	1.1
119.08591	3.2
120.08080	0.7
121.06509	2.4
121.10143	82.0
122.10474	2.2
123.08085	1.6
123.11683	4.2
125.09635	1.8
127.03925	1.9
131.08549	2.9
133.07558	0.5
133.10115	8.5
135.08044	2.4
135.11671	4.3
136.07570	7.3
137.09616	5.6
139.07582	1.0
139.11192	4.5
143.10658	0.7
145.04947	2.3
145.07535	0.6
145.10104	1.9
147.06750	1.3
147.11678	5.8
148.07562	2.1
149.09622	2.4
149.13254	6.3
151.11179	5.0
153.09131	1.3
158.05663	1.0
158.10922	1.1
160.07535	0.7
162.09138	3.3
163.11163	0.9
163.14812	6.1
164.07076	1.9
167.07025	1.3
169.12221	3.4
171.06265	4.9
173.13249	13.3
174.13602	0.7
176.06970	0.8
190.08621	5.5
191.08130	10.3
191.14304	35.5
192.06578	0.7
192.14655	2.2
208.09654	1.4
209.15359	19.8
210.15742	1.0
218.08130	1.3
227.16414	100.0
228.16808	4.0
236.09174	3.9
258.07367	17.5
259.07715	0.6
307.12860	3.4
325.13876	6.3
344.14612	0.6
383.04819	0.8
389.16977	1.5
401.05374	1.1
406.14713	23.7
407.15204	2.4
407.78537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60228	4.4
54.61816	4.7
56.96557	9.1
69.14878	29.9
79.05472	6.8
81.07018	5.7
85.06528	5.8
89.44587	5.4
90.45953	5.0
90.71898	4.1
91.05485	7.6
93.07043	9.3
95.08615	10.5
97.06538	6.5
104.99190	6.4
105.07033	8.9
106.44321	5.0
107.08662	6.4
109.08335	5.0
111.47533	4.9
119.08553	6.4
133.10075	5.7
135.07950	6.4
151.07509	27.9
179.10652	21.0
245.42648	4.9
261.92023	5.2
269.10699	7.9
270.10968	5.0
275.16254	8.2
357.44174	5.0
406.22729	15.2
406.28757	5.3
407.06555	6.8
407.11484	5.7
407.19370	9.1
407.24078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46329	10.2
51.33867	10.3
55.05489	13.1
67.05489	15.9
69.11942	57.1
69.12355	25.8
75.19251	10.4
75.29768	12.0
81.07040	32.9
85.19352	11.9
91.05473	21.9
93.07037	19.0
95.08585	17.9
98.23491	21.4
105.07047	24.9
112.43745	10.8
113.00037	12.9
145.10072	13.5
151.07545	33.0
154.06877	24.3
154.74536	12.1
168.53743	14.1
169.02599	22.8
182.06363	44.1
204.39380	12.0
217.23933	11.9
251.64783	13.1
262.63651	12.1
306.15054	12.2
339.19138	17.8
407.21341	64.1
408.25543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81194	1.0
67.05516	1.2
71.46939	0.9
81.07076	1.6
93.07005	1.3
95.52464	1.0
105.91620	1.1
107.04943	1.3
142.73857	0.9
151.07585	2.7
156.72649	0.9
172.24820	0.9
301.04971	1.0
333.17438	1.3
333.24072	1.2
371.15033	1.7
401.89822	1.1
407.24094	100.0
408.24338	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.8
57.07064	0.8
67.05502	0.9
69.81920	0.6
69.82307	0.8
70.06592	1.6
79.05490	0.7
81.07063	0.8
84.08164	0.4
86.09708	0.4
88.07642	0.7
91.05489	1.0
93.07049	0.7
95.08617	0.4
102.09232	0.4
105.07029	0.5
105.25857	0.3
105.31001	0.3
107.08586	0.4
113.76842	0.4
121.10280	0.4
132.10199	0.6
145.04935	0.3
146.11763	0.5
151.07555	1.5
155.08411	0.4
204.17342	0.4
256.26337	0.7
257.26788	0.6
269.13629	1.4
288.16586	0.4
300.29016	0.9
301.29218	1.4
309.16730	1.3
331.15833	1.1
344.31448	0.4
345.31955	0.7
349.16785	1.7
371.15106	0.9
371.22183	0.4
389.11636	1.0
389.16452	0.4
406.35287	2.7
407.24036	100.0
407.35342	7.5
408.19284	0.6
408.24335	7.6
408.30246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.9
69.07088	0.5
69.61031	1.8
69.77178	0.4
76.62749	0.4
81.07065	1.1
88.27200	0.5
95.08612	0.7
105.07037	0.6
107.08628	0.5
121.10162	0.5
151.07578	0.9
233.37317	0.4
251.14236	0.5
283.71851	0.5
333.24057	0.7
371.15088	1.8
407.24045	100.0
408.24274	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.2
69.07072	1.8
69.59244	2.9
70.06600	0.9
83.56232	0.8
84.08119	1.2
85.66909	0.9
95.08587	1.2
98.23388	1.7
151.07539	2.4
155.21365	0.9
161.09958	2.4
176.14340	2.3
233.11986	0.8
252.89786	0.9
267.06485	2.3
284.18466	0.8
295.14948	0.8
300.28940	1.4
301.29251	1.0
309.16635	1.7
316.17215	0.9
343.40808	1.0
365.10162	1.6
406.35278	1.7
407.23999	100.0
408.24271	7.1
408.30991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24442	2.5
69.34643	0.4
76.62943	0.5
79.98075	0.5
82.41991	0.4
87.99211	0.4
91.58148	0.4
98.23062	2.3
113.00008	0.6
203.10599	0.6
237.05542	0.6
246.28067	0.5
265.04968	10.9
265.07568	0.9
265.21927	0.5
277.04913	0.5
283.06055	6.3
283.08878	0.8
311.33749	0.5
407.24060	100.0
408.24316	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Bakkenolide H
Peak:m/z	Relative Intensity
55.83106	0.8
56.96549	1.6
67.05494	1.6
70.23055	1.2
70.23363	1.1
71.63412	0.8
81.07052	1.9
86.09689	1.1
93.07044	1.0
95.04937	0.8
95.08575	1.2
97.06538	0.9
105.07026	1.6
109.10158	1.3
117.07043	1.0
117.77565	0.9
119.08562	1.2
121.10114	1.0
151.07512	2.2
168.71085	0.8
169.02563	1.1
248.21704	0.8
248.58516	0.8
262.43649	0.8
332.26703	1.7
333.26984	1.5
347.15204	2.0
365.16437	1.8
375.15909	1.6
376.16589	4.1
394.17426	3.1
407.24008	100.0
408.24106	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79095	0.2
55.05523	1.2
56.86016	0.2
57.03434	4.3
57.03722	0.2
57.07076	5.3
67.05498	2.1
69.07063	1.1
69.38833	1.1
71.08626	4.9
76.76640	0.2
81.07047	2.5
83.08614	1.6
85.10189	1.9
89.06031	0.4
94.98975	0.3
95.08596	3.6
97.10172	0.8
100.42668	0.2
105.07029	0.3
105.66512	0.2
109.10159	1.7
111.08034	0.2
113.00010	81.3
123.11686	0.8
126.21927	0.2
131.01060	0.4
137.13196	0.3
139.01572	0.5
145.10083	0.3
149.02277	0.3
151.01595	0.3
154.02647	0.4
169.02602	100.0
170.02966	1.3
198.88170	0.2
220.49442	0.2
239.23695	1.1
355.73605	0.2
407.21667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
57.03438	5.7
57.07078	7.3
67.05505	2.6
69.07063	1.0
69.44035	0.4
71.08218	0.2
71.08627	4.4
79.05477	0.2
81.07054	2.5
83.08634	1.3
85.10178	2.1
89.06029	0.3
94.98986	0.3
95.08615	3.4
97.10161	0.6
104.32488	0.2
106.92914	0.2
109.10184	1.5
113.00019	100.0
123.11718	0.7
131.01030	0.7
139.01544	0.6
141.06570	0.2
149.02312	0.2
151.01494	0.3
154.02687	0.3
169.02614	75.5
170.02951	1.2
194.16225	0.2
195.12262	0.2
239.23718	0.7
266.32938	0.2
267.78674	0.2
407.21741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2772
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.05508	0.9
59.00780	0.5
60.47661	0.5
63.93157	0.4
67.05497	1.6
69.07058	0.7
69.76231	0.5
71.46376	0.4
74.03038	0.4
79.05513	0.8
81.07051	1.5
81.30195	0.4
91.05474	1.3
93.07044	0.8
95.04976	0.7
95.08627	1.1
98.22967	0.6
105.07057	1.6
107.08606	1.0
117.07014	0.8
119.08579	0.8
135.08052	0.7
137.49780	0.5
145.10094	0.6
151.07523	1.4
169.02844	0.5
218.24593	0.5
283.19708	0.5
299.65350	0.5
318.17838	0.5
321.11258	0.7
371.25616	0.9
389.26639	100.0
390.26953	8.4
407.18643	0.6
407.23441	0.9
407.28253	0.8
408.31949	0.7
428.28125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.277
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.11066	0.4
55.05486	0.5
57.03419	0.5
57.07089	0.6
61.68291	0.4
67.05504	1.1
69.07053	0.8
71.08659	0.4
79.05467	0.7
80.94837	0.5
81.07068	0.8
86.09691	0.4
91.05437	0.7
93.07015	1.2
95.04974	0.5
95.08611	0.8
105.07012	1.2
107.08556	0.6
109.06486	0.4
113.00003	0.7
119.08617	0.6
122.98359	0.5
131.08543	0.7
133.10107	0.5
147.04140	0.6
151.07587	0.9
199.02632	0.4
227.59630	0.4
329.32932	0.5
371.25604	1.3
389.26605	100.0
390.26883	8.4
407.23282	1.0
407.32483	0.5
408.32144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01862	3.4
55.05256	1.4
55.05507	18.3
56.05029	2.7
57.03424	1.1
57.07071	2.0
62.87342	1.2
65.03929	2.4
67.05500	40.7
69.07064	17.9
71.04999	5.8
73.06537	1.7
77.03906	1.4
79.05487	33.9
81.06568	2.3
81.07050	42.6
83.04979	2.8
83.06102	12.6
83.08605	7.1
84.04495	41.2
85.06529	2.9
91.05470	57.5
92.05793	1.1
93.06445	1.8
93.07037	32.7
95.04967	7.9
95.08598	31.3
97.06503	4.9
97.10169	3.6
99.08066	1.1
101.07125	4.5
102.05531	2.9
103.05461	3.0
103.76694	1.1
105.04533	1.3
105.07021	63.1
106.07353	2.2
107.04964	2.9
107.08583	17.8
108.08943	1.1
109.06511	3.9
109.10160	11.3
111.08065	2.8
115.05466	3.3
117.07014	23.2
119.05979	1.1
119.08567	35.2
121.06496	4.3
121.10126	14.3
123.08064	2.9
123.11688	2.1
123.83177	1.0
125.09628	1.3
128.06210	2.3
129.06522	17.9
130.04990	48.1
130.07719	1.1
131.05365	1.0
131.08553	36.3
132.08952	1.3
133.06458	2.7
133.10112	18.5
135.08032	3.6
135.11690	6.0
136.87117	0.9
137.09615	1.1
141.06937	5.6
142.07764	1.8
143.08536	10.5
144.09315	1.0
145.06509	3.2
145.10117	21.4
147.07629	16.4
147.11687	5.0
149.09599	4.1
149.13257	3.0
151.07584	1.4
151.11201	1.1
153.09085	1.3
155.08549	6.2
157.10107	9.2
159.08037	2.7
159.11658	7.6
161.09607	2.2
161.13225	3.3
163.14886	1.3
166.59755	1.0
166.61646	1.3
167.08588	1.9
169.10132	6.9
171.11650	4.7
173.09732	1.3
173.13242	4.5
173.83028	1.0
175.11211	1.2
181.10080	4.9
183.11696	5.2
185.09712	1.2
185.13277	3.2
187.11148	1.8
187.14763	3.4
195.11690	3.4
197.13251	3.9
199.14763	1.5
201.12743	1.6
201.16364	1.9
209.13222	3.6
211.14847	3.2
213.12560	1.0
215.14493	1.4
217.15834	1.4
221.13353	1.1
223.14723	2.2
225.16373	1.5
227.14311	1.4
233.15341	4.0
237.16434	1.1
241.15828	1.4
243.20973	1.9
245.15359	2.7
247.17009	7.1
255.17465	1.6
259.16962	2.7
261.18698	4.6
261.22113	4.4
271.16855	1.5
273.18549	2.2
287.19974	1.6
325.25201	4.9
335.23694	5.9
343.26212	9.6
353.24686	24.8
354.24973	3.1
371.25763	40.8
372.25949	3.0
389.26810	100.0
390.27094	9.2
407.22229	2.6
407.27722	3.8
407.37189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03944	1.0
55.01868	2.2
55.05511	15.9
57.03433	1.5
58.58874	1.1
65.03938	1.9
67.05501	29.8
69.07065	12.8
71.04985	2.8
79.05489	27.5
81.07050	33.1
83.04988	2.3
83.06081	4.0
83.08606	4.7
84.04503	13.5
85.06539	2.7
91.05479	46.2
91.06052	2.6
92.05809	1.4
93.07039	24.0
93.22596	1.1
95.04961	3.1
95.08597	22.4
97.06526	3.0
97.10166	2.1
98.23483	3.1
101.07132	2.5
103.05463	1.8
105.07026	50.3
106.07377	2.4
107.04922	1.9
107.08594	17.3
109.06498	2.2
109.10149	7.8
111.11763	1.1
115.05411	2.2
117.07017	17.3
119.08578	29.5
121.06485	4.5
121.10143	11.7
123.08086	3.5
123.11716	2.7
125.09612	1.0
128.06210	2.0
129.06883	9.1
130.05008	14.8
131.08557	33.0
132.97691	1.1
133.06523	2.7
133.10117	17.0
133.53503	1.0
134.10492	1.2
135.08046	3.8
135.11716	2.8
137.09642	1.9
141.06952	3.8
143.08568	12.2
145.06453	2.8
145.10117	19.8
147.07675	6.4
147.11633	5.1
149.09625	1.8
149.13193	2.3
151.11172	1.3
155.08568	6.2
157.06273	1.1
157.10110	5.9
159.08075	1.5
159.11670	8.1
161.13298	2.2
167.08603	1.7
169.10103	5.1
171.11681	4.9
173.13237	3.8
175.14755	1.4
177.12756	1.3
181.10094	3.2
183.11687	4.9
185.13271	3.4
187.14813	3.7
195.11678	2.9
197.13306	3.7
201.12737	1.1
209.13292	2.4
211.14787	4.7
213.12697	1.2
217.16026	1.1
223.14807	2.1
227.14325	2.4
233.15364	4.1
237.16328	1.6
245.15421	1.8
247.16847	5.3
255.17572	1.2
256.56070	1.2
259.16895	4.3
261.18460	4.1
261.21310	1.0
273.18530	2.5
307.24280	1.3
317.67746	1.1
325.25269	5.4
335.23636	6.3
343.26364	7.0
344.26260	1.6
353.24734	23.5
354.25070	1.9
361.27042	1.2
371.25781	38.2
372.26086	2.6
389.26825	100.0
390.27158	10.7
407.28122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
55.05510	18.8
57.07056	2.0
59.97978	2.2
67.05504	26.2
69.07069	17.4
70.58386	4.9
71.04991	4.6
79.05486	26.0
81.07050	34.0
83.04973	4.1
83.08617	8.3
91.05479	47.7
92.99518	2.2
93.07041	30.8
95.04957	8.0
95.08594	26.0
97.06527	4.5
97.10201	2.9
98.23281	2.4
103.05446	3.4
105.07026	51.0
107.08604	14.1
109.06524	3.7
109.10143	4.7
117.07007	20.1
119.08575	29.7
120.57334	2.0
121.06548	2.4
121.10149	10.0
123.08080	3.3
127.07566	2.3
128.06186	2.9
129.07004	11.1
129.77385	2.2
131.08562	31.4
133.10112	20.4
137.09692	2.7
141.06960	2.4
143.08534	10.3
145.06409	2.2
145.10112	19.7
147.08043	3.0
147.11696	5.5
149.09598	2.5
151.07506	5.9
155.08577	8.4
157.10130	9.1
159.08032	3.2
159.11673	12.8
161.13336	2.7
167.08525	2.9
169.10100	6.6
171.11641	4.7
173.09621	3.0
173.13240	2.5
181.10066	2.7
183.11696	5.5
185.13176	2.6
186.13434	2.6
195.11801	3.8
197.13280	7.4
199.14871	3.6
203.14035	2.6
205.02930	2.3
211.14822	3.6
213.05537	2.4
233.15381	6.0
241.15823	2.6
247.16954	4.2
259.16943	4.7
261.18484	5.7
271.87527	2.3
273.18582	2.3
317.45776	2.5
325.25174	3.2
335.23721	6.6
343.26205	6.9
353.24771	21.6
371.25745	40.7
389.17673	3.7
389.26828	100.0
390.27151	10.1
407.18521	3.7
407.27216	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	2.1
55.05511	27.1
56.05027	1.6
58.23745	1.0
58.99580	13.1
60.18338	0.8
60.98387	1.0
61.01129	1.4
69.40403	4.8
73.01119	1.5
75.08462	0.9
76.02212	6.3
76.04005	3.3
81.07050	1.6
83.06101	1.8
83.08617	43.9
84.04502	20.9
84.08156	1.2
86.09711	1.2
86.99054	11.2
88.02219	3.7
91.05512	1.3
99.02709	1.4
99.05589	1.4
101.09653	3.2
101.88493	0.9
107.08603	2.3
116.01679	57.3
118.08640	1.2
120.08121	1.8
120.68288	0.8
124.07625	1.0
129.06567	5.4
130.05006	4.7
131.08559	2.8
132.08928	1.4
133.09213	1.3
141.07321	1.4
142.03197	3.7
144.01140	26.8
145.06134	2.1
149.34351	0.9
159.08386	30.7
162.02197	100.0
163.02505	2.8
176.11043	3.0
178.95970	0.9
179.04825	1.7
198.42778	1.0
209.11655	2.8
210.12199	1.5
211.12238	2.1
244.10028	1.1
245.05891	0.9
247.05753	3.3
259.10977	1.1
261.10867	1.7
262.11075	61.0
263.11377	1.8
279.13721	26.1
333.14743	17.9
334.14838	1.3
381.66284	1.1
399.54669	1.2
408.12558	1.3
408.17648	7.1
409.10999	45.2
409.22330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62491	0.2
60.04248	0.2
60.04521	3.0
64.98631	0.2
70.80529	0.2
72.16891	0.2
79.05417	0.2
86.09189	0.4
86.09705	6.6
91.05482	0.9
93.07050	1.0
102.05535	0.7
103.05463	2.9
105.07021	0.4
112.03957	1.4
120.08100	100.0
121.08455	2.5
128.10820	0.2
130.05061	0.4
132.08060	0.2
132.10220	1.8
140.05704	0.2
144.08076	1.0
151.43044	0.2
152.69923	0.2
172.07596	0.6
175.27452	0.2
188.37514	0.2
189.10231	0.3
207.11333	0.2
229.09666	0.9
231.11266	0.6
232.02957	0.2
233.16507	0.6
259.10767	6.0
260.11227	0.3
277.11917	0.8
279.17026	8.1
280.17352	0.4
360.19034	0.3
362.19797	0.3
390.20184	1.0
408.20386	0.3
408.27512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47620	1.9
53.03928	2.3
55.05515	8.7
67.05505	25.1
69.03401	2.6
69.07066	10.1
69.61410	4.4
71.05000	2.9
73.77608	1.5
75.81408	1.7
79.05494	25.0
81.03410	5.3
81.07058	32.2
83.04974	5.0
83.08611	8.9
85.02919	1.8
85.06538	3.1
88.32587	1.8
91.05475	24.7
93.07039	27.0
95.04953	4.6
95.08601	34.1
97.06527	12.2
97.10178	3.3
99.08097	3.9
105.07020	16.8
107.04951	7.3
107.08581	22.8
109.06518	4.1
109.10149	11.6
111.08083	10.3
117.07023	10.1
118.54919	1.5
119.08585	20.5
121.06521	5.3
121.10129	31.0
123.08063	7.2
123.11716	4.8
125.09570	2.1
129.07013	5.4
131.08559	24.0
132.08815	2.3
133.06537	2.7
133.10126	14.9
135.04407	3.3
135.08064	14.7
135.11699	7.8
136.06190	2.2
137.05943	2.6
137.09599	8.2
141.06934	2.4
141.25305	1.7
143.08557	2.0
145.10117	24.8
147.08054	6.6
147.11699	6.1
149.09616	30.3
151.07584	2.6
151.11171	4.2
153.09100	2.8
155.08542	2.7
157.10158	3.7
159.11685	5.9
161.09673	1.9
161.13254	3.3
163.11174	13.2
165.09055	3.3
167.10672	3.0
169.10120	6.9
173.13321	2.4
175.14809	2.2
177.16452	1.9
183.11754	4.4
185.13261	4.2
187.14822	24.1
201.12772	1.9
201.16391	17.9
203.17934	5.8
205.15862	2.9
211.12994	1.7
211.14830	30.6
212.15192	3.2
219.17390	6.3
220.67021	1.5
221.18942	3.7
223.16879	9.6
229.15884	27.9
230.16183	1.9
237.18379	8.5
241.17969	5.8
247.16940	93.8
248.17233	6.3
259.97855	1.7
265.17990	100.0
266.18378	7.2
283.19037	71.8
284.19214	3.1
300.15964	4.4
301.20129	13.2
309.35693	1.8
318.16968	3.0
344.18723	4.5
346.16501	7.6
362.19565	5.0
390.18961	4.4
408.10895	4.0
408.19830	3.5
408.24350	3.3
409.14386	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
57.07079	10.0
58.99570	1.4
62.99080	27.0
67.05215	0.4
67.05508	4.0
69.07071	28.6
69.35310	1.6
70.06617	0.6
70.07413	0.5
72.08141	0.6
73.01145	1.6
77.00621	2.4
81.07043	0.9
82.06536	0.4
83.08609	2.1
84.08173	0.4
86.99036	0.6
87.02697	3.6
95.08552	0.5
98.06049	0.4
98.23333	0.7
100.07606	0.7
101.04237	0.9
105.00094	0.5
105.03709	1.2
109.10129	1.2
110.09659	0.8
111.11735	1.9
117.14787	0.3
118.06541	4.1
119.05297	0.3
124.07578	0.4
132.08087	1.4
133.08974	0.7
134.09657	0.4
134.57021	0.3
137.13603	0.3
146.09641	1.1
147.07982	0.4
147.94809	0.3
151.07545	3.2
161.09959	100.0
162.10263	2.0
170.11800	3.1
176.14349	76.2
177.14671	2.7
233.12065	26.1
234.12424	1.4
265.28632	0.4
267.06485	0.9
268.06821	1.0
284.18454	0.8
340.17133	0.4
365.10242	1.5
408.25644	22.9
409.25650	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	21.1
67.05482	5.4
70.50780	9.8
71.04990	6.8
79.05482	5.2
81.03427	4.3
81.07071	7.2
83.08627	3.9
84.96041	11.4
85.02899	5.1
91.05516	3.9
98.97583	62.1
105.07043	8.2
107.08674	4.4
109.02888	6.5
110.97579	18.7
113.30205	3.9
116.98612	18.7
127.03932	8.0
128.98636	10.3
132.69481	4.1
136.07585	7.7
140.98613	8.2
143.00192	8.5
145.12242	17.2
151.07593	6.4
158.99663	7.7
161.01157	4.1
170.99611	5.7
177.00754	9.1
178.83334	4.0
179.03821	24.5
194.12379	4.7
197.04843	8.9
201.00740	5.6
203.05321	4.7
211.23341	3.7
219.01781	36.9
221.04742	18.4
237.02820	43.6
239.06017	4.5
263.05820	6.7
323.08026	94.6
324.08337	5.7
341.09097	76.2
365.09106	33.8
383.10126	8.0
383.56424	4.1
409.09073	100.0
409.18341	91.9
410.09055	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
67.05492	0.8
68.32628	0.5
69.07050	0.7
79.05475	0.7
81.07060	1.7
83.08614	0.6
91.05466	0.9
93.07056	0.9
95.04960	0.7
95.08621	0.6
102.87340	0.6
105.07019	1.1
107.08562	0.8
109.10184	0.7
113.00043	2.4
114.80660	0.5
119.08607	1.0
139.78070	0.5
145.10269	0.6
151.07555	1.7
167.08543	0.5
169.02641	2.2
175.45180	0.5
189.07050	0.6
192.05603	0.6
192.09573	0.6
205.06526	1.5
210.19675	0.5
220.05215	0.9
222.02605	0.5
233.05945	1.6
246.03200	1.0
248.04768	3.3
261.05490	1.0
262.06259	0.7
263.07025	11.3
263.09744	0.8
264.04205	6.2
265.04425	1.0
275.03040	0.6
276.04184	12.0
277.04773	0.9
278.05853	1.3
289.05118	0.8
289.08469	1.2
290.05701	0.8
291.06516	34.4
292.03888	1.1
292.06894	2.1
304.03766	2.9
306.05157	1.0
318.05157	1.0
319.06021	14.5
319.13495	1.1
320.06281	1.1
331.13324	0.6
332.03201	4.5
334.04715	3.8
334.08380	0.7
343.13461	0.6
347.05505	27.7
348.05899	2.2
349.07016	2.0
361.14233	0.7
362.04120	1.4
373.18091	0.6
377.06558	100.0
378.06952	8.6
391.19098	5.0
409.19873	1.2
426.02191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	37.0
64.95286	1.7
69.39034	6.9
70.06587	2.6
72.08144	1.7
75.76961	1.7
81.98879	1.6
84.08141	6.5
84.96028	4.2
89.03914	1.9
98.97577	100.0
100.57705	1.4
104.63670	1.6
110.97561	12.9
114.99990	1.9
115.00671	10.9
116.98618	50.1
117.03366	4.6
119.21394	1.7
119.34512	1.5
120.08076	4.9
128.98595	15.5
129.10213	2.5
133.01718	6.9
134.99641	21.6
136.24991	1.7
140.00221	2.0
141.02257	15.3
143.00160	4.6
145.02856	9.4
146.99625	5.0
152.98566	11.1
157.01750	5.2
158.99637	13.9
159.03288	50.9
161.01210	5.8
167.07069	2.2
170.99669	14.5
175.02751	13.2
177.00775	12.8
177.04288	69.0
179.02263	6.4
183.03331	3.6
187.02800	2.7
189.00722	11.4
193.03915	1.7
195.05423	7.4
197.03349	8.7
199.03683	7.0
201.00766	5.4
201.04321	63.4
203.02248	20.0
203.03981	2.3
205.03780	2.9
207.01740	2.5
213.00768	1.9
213.04358	11.0
215.02168	2.7
217.03702	2.4
219.01830	25.6
219.05354	43.7
220.02179	2.7
221.03296	59.9
231.05382	16.7
233.02699	14.6
237.02782	25.4
239.04337	5.8
244.04736	2.2
245.03343	3.7
247.04877	37.5
248.05276	1.8
251.04314	3.3
257.03299	4.4
259.04602	3.2
261.02969	6.3
261.06470	34.3
265.05914	18.6
273.06363	10.4
275.04309	3.0
277.05853	3.8
279.03940	15.1
287.04333	4.0
289.05743	1.7
291.07455	15.7
295.06757	2.2
297.04852	2.9
305.05399	19.4
321.08524	6.4
323.06482	38.2
349.07883	5.5
367.08939	6.4
409.11069	15.3
409.22031	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	0.8
71.01163	0.5
76.36021	0.5
84.08145	0.5
86.09691	1.0
96.21458	0.4
124.30888	0.5
125.05989	0.7
143.00209	0.5
151.03909	5.0
153.05472	0.8
163.07574	0.6
176.08412	0.5
185.04185	5.3
191.07059	1.2
203.19833	0.5
204.85980	0.5
246.05000	1.2
247.05753	6.7
275.98926	0.4
276.63968	0.6
357.85031	0.5
365.12091	0.6
409.11023	100.0
410.11414	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01866	1.8
55.05524	0.7
57.03430	2.2
57.59377	0.5
61.02927	4.3
64.08237	0.6
65.37141	0.5
67.05523	0.6
69.03426	11.0
69.07044	0.7
71.04987	1.6
72.17653	0.5
73.02899	1.8
79.05485	1.0
81.03405	4.7
81.07066	0.7
83.08569	0.6
85.02904	18.7
87.04488	1.4
91.03943	1.4
91.05479	2.5
93.07025	0.6
95.01329	7.7
95.04961	0.7
97.02893	9.3
98.22720	1.9
99.04460	1.5
100.11242	0.8
103.05462	1.9
105.07032	1.7
107.08637	0.5
109.02866	2.8
109.06525	0.6
111.08184	0.5
115.05453	31.2
116.05736	0.7
117.07016	48.7
118.07352	1.7
119.08608	0.6
125.01428	0.7
125.02346	16.2
127.03925	3.4
127.05429	2.0
128.06219	22.1
129.06999	100.0
130.07332	3.2
131.04932	2.7
133.05081	0.6
133.06493	1.9
135.04417	6.1
142.04118	1.4
143.04921	25.3
143.05942	1.2
144.05292	1.1
145.04985	1.5
145.06487	20.4
151.07574	0.8
155.04910	3.0
155.06047	7.1
157.06487	42.4
158.06796	1.9
159.04370	3.7
161.05943	4.3
170.03664	1.1
171.04391	34.5
171.05557	2.1
172.05020	1.3
172.59659	0.5
173.05984	25.0
174.06329	0.9
175.07593	0.7
182.15269	0.6
183.90720	0.7
185.05972	6.1
187.03886	2.3
187.07552	1.6
189.05458	1.0
199.03893	26.8
200.04395	1.6
201.05461	79.2
202.05768	3.2
203.03273	1.1
203.06984	0.8
213.05466	0.8
217.04968	2.3
219.06491	1.7
229.04953	20.8
231.04179	0.9
231.06506	16.4
243.56549	0.6
246.17091	1.0
247.06001	23.4
247.17342	0.7
248.06284	0.8
261.14499	1.2
305.13452	2.2
319.06146	0.8
365.15341	0.7
408.27289	0.8
409.09338	1.2
409.14572	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02502	1.0
60.96894	1.4
65.03941	4.4
67.05499	1.7
69.03444	0.9
69.86375	3.3
71.52454	0.9
72.08144	2.4
79.05486	1.3
84.08173	1.3
85.02863	1.1
86.09700	1.9
91.05477	2.3
93.03409	3.7
95.04965	1.9
98.22697	1.0
101.36594	0.9
103.05446	1.9
105.07022	1.9
108.02031	1.2
111.04458	4.8
115.05419	1.4
117.03378	0.9
120.08096	2.9
121.06490	1.6
122.03603	1.2
123.04413	1.1
125.05986	9.0
131.04906	8.2
133.06464	2.1
135.08080	2.7
136.07605	1.6
137.05971	21.0
141.05489	2.0
145.02753	1.6
146.08156	1.3
148.03952	1.3
149.05981	3.2
151.03909	100.0
151.05000	9.8
152.04193	2.3
153.05466	16.0
159.04419	3.3
161.06018	7.7
163.07553	10.0
165.05463	2.4
175.07550	6.0
175.24319	1.0
177.05470	4.6
179.07018	4.3
185.04123	1.2
191.07025	29.2
200.13928	2.3
203.07082	4.0
205.06480	1.4
209.08124	4.2
213.11195	1.1
219.06499	8.0
221.08037	5.3
222.06761	1.1
223.07637	1.4
225.09175	1.4
228.13338	1.3
234.06912	1.3
237.09087	3.1
247.05777	6.1
249.07518	2.8
251.06860	1.4
253.08699	2.0
255.10130	1.4
265.08588	4.1
265.57300	1.1
267.06607	1.2
268.07379	2.7
277.08514	1.2
282.08975	1.1
283.09665	2.6
285.11084	1.3
293.08282	1.3
293.11398	1.4
297.11136	7.9
309.11130	2.0
311.09030	1.7
313.10699	3.0
315.12424	7.0
325.10678	4.5
327.12152	1.3
343.11737	26.9
344.11987	1.6
345.13147	2.2
355.11606	2.0
361.12790	12.2
362.12851	1.3
373.12704	1.6
409.10962	57.6
410.11475	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	4.7
67.05524	1.8
69.03432	4.0
69.07079	3.5
70.06599	1.4
71.46557	1.2
72.08147	2.7
81.03439	1.3
81.07046	4.2
83.08602	1.9
85.02902	3.3
91.05475	4.8
95.08591	2.0
97.02877	1.4
98.97591	2.4
107.08627	1.7
109.10181	1.7
112.46606	1.4
120.08157	1.4
127.03913	3.8
146.02357	15.8
151.07645	1.5
163.05025	6.7
175.05060	6.6
190.12328	4.3
193.06093	3.0
203.08156	29.9
209.85458	1.3
229.11983	2.8
247.09949	1.7
247.13382	1.3
265.11044	7.3
276.85510	1.8
283.12173	3.6
345.06799	5.9
347.16940	1.7
363.07892	14.5
367.04947	2.1
403.74805	1.4
409.16370	100.0
409.22391	35.3
410.16708	7.1
425.69843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17266	0.3
60.03941	0.2
66.58373	0.2
67.64913	0.3
70.68668	0.4
71.03719	0.2
81.07038	0.3
89.19078	0.2
104.72489	0.3
107.01080	0.3
127.73218	0.3
138.28378	0.3
160.40178	0.3
203.05342	0.7
229.12022	0.3
247.13066	2.6
286.84714	0.3
290.49850	0.3
317.49588	0.3
333.36591	0.3
351.41168	0.3
409.18329	100.0
410.18671	7.0
434.92471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2199
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
51.86404	0.5
57.64848	0.4
63.66138	0.5
69.03432	0.5
69.66682	1.0
69.67075	1.1
73.13023	0.5
81.07057	0.7
107.04937	0.5
121.06496	0.5
151.07529	3.3
152.07860	1.6
169.65477	0.7
201.58572	0.5
335.18073	0.7
346.66986	0.5
349.17044	0.8
373.19809	0.6
409.21921	100.0
410.22174	6.3
410.27032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2199
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
67.05491	0.3
75.04138	0.2
79.05473	0.4
81.07005	0.3
93.07033	0.2
98.07307	0.2
103.05460	0.4
105.07032	0.4
107.04965	0.2
107.08611	0.2
111.33002	0.2
112.66252	0.2
121.10130	0.2
151.07567	0.7
152.07880	0.8
227.38313	0.2
230.15335	0.3
307.13211	0.3
323.12698	0.5
334.08652	0.2
369.19043	0.3
391.20840	0.3
409.21912	100.0
410.09955	0.6
410.22308	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2356
Annotation	Adunctin A
Peak:m/z	Relative Intensity
55.05515	16.9
62.25841	6.7
63.68699	6.8
67.05510	11.0
69.07067	12.9
69.62803	32.1
79.05466	8.7
81.07085	13.7
85.17494	7.5
88.35824	8.1
91.05502	12.3
93.07056	18.7
95.08588	11.5
98.22921	25.1
105.07084	15.1
107.08583	8.8
109.10162	8.5
133.10126	8.1
145.10170	10.5
151.07552	11.9
159.11888	7.6
264.18524	8.9
317.24942	9.5
335.19043	11.1
373.17068	10.3
409.23560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33550	1.8
85.16669	0.4
149.87257	0.4
156.02774	0.4
163.38779	0.4
190.09114	0.4
219.26216	0.4
295.15125	0.6
317.24911	0.6
349.16971	1.0
391.63251	0.4
409.25580	100.0
410.25900	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.6
60.97568	0.3
63.30317	0.3
68.44161	0.3
69.65244	0.3
74.52501	0.2
81.07051	0.4
96.17764	0.3
98.22504	0.5
116.58944	0.3
151.07501	0.3
152.07863	0.3
159.03128	0.3
213.08023	0.6
255.09059	0.9
267.09036	0.9
269.10571	1.7
269.13614	1.8
270.11023	0.4
273.10098	0.5
285.10080	1.3
287.11517	0.6
295.15112	0.7
309.16699	0.5
349.16696	1.7
367.17850	1.9
390.19580	0.6
409.25580	100.0
410.25943	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64462	1.7
53.03947	2.2
55.01881	2.6
55.05511	22.4
56.91215	1.7
57.07072	8.2
59.04990	4.5
65.03954	2.4
67.05508	22.6
69.03436	8.8
69.07066	9.7
71.05009	2.6
71.46803	2.3
75.09492	1.7
79.05491	23.5
81.06618	3.4
81.07053	36.3
83.04980	4.4
83.08603	5.0
85.06538	5.8
87.82072	1.7
89.05999	2.1
91.05475	39.7
93.07044	51.3
95.04967	57.5
95.08604	37.9
97.06518	12.7
97.48817	2.1
103.05466	4.4
103.34184	2.2
105.04544	3.3
105.07027	100.0
106.07354	3.9
107.08594	25.7
109.06525	16.5
109.10155	7.5
111.08061	3.5
113.00027	6.0
115.05462	5.4
117.07008	15.2
119.04958	2.4
119.08582	71.3
120.08907	1.7
121.06501	22.2
121.10140	19.1
123.08064	24.7
123.11739	2.5
128.06203	6.5
129.06989	11.2
130.07791	5.1
131.08571	23.1
133.06490	5.6
133.10129	21.5
135.08052	16.3
135.11697	4.7
137.09651	10.0
137.13269	1.9
137.62428	1.7
141.07014	2.7
142.07787	15.9
143.08537	23.7
144.09357	4.9
145.06522	3.6
145.10118	42.4
146.10532	3.2
147.08055	19.1
147.11684	37.5
148.08807	1.9
148.11943	2.7
149.09645	12.0
151.07555	27.0
153.06964	2.2
153.09091	2.1
155.08493	8.4
156.09325	8.8
157.10123	28.3
158.10783	2.2
159.08058	7.3
159.11638	15.4
160.08824	3.6
161.09685	9.3
161.13293	5.5
163.11197	5.6
165.09120	30.1
168.09348	6.4
169.10133	13.2
170.10976	4.2
171.11684	12.7
173.09647	4.5
173.13260	8.1
174.10355	2.3
175.11169	23.7
177.09099	3.9
178.09866	3.5
181.10117	6.4
181.12157	2.1
182.10945	2.6
183.11685	12.8
185.09563	2.6
185.13278	4.4
187.11194	6.3
189.12778	7.5
193.10095	4.8
195.11761	5.8
196.12494	3.3
197.13258	2.9
199.11122	2.9
199.14841	3.3
201.12756	8.0
201.16431	2.5
203.14320	14.8
207.11832	3.6
207.13835	9.9
209.13336	3.9
209.15244	4.2
211.14807	6.9
213.12733	4.5
219.13910	3.5
221.09717	1.9
221.13379	3.1
221.15352	53.3
221.17447	3.9
222.15668	2.6
223.14877	2.4
225.12962	2.0
229.15912	4.6
231.13829	2.7
233.15320	3.3
234.16254	11.4
253.15959	2.8
286.19150	4.2
287.20087	7.5
300.20822	3.8
329.20984	3.1
335.19934	2.4
391.26288	7.1
409.15414	2.1
409.27301	45.2
410.27017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68325	2.3
53.03956	4.5
55.01874	3.5
55.05504	22.5
57.07088	7.2
59.04990	4.0
67.05502	21.6
69.03438	11.5
69.07073	8.9
70.71390	5.8
79.05495	24.3
81.07061	39.1
83.05000	6.8
83.08640	8.3
85.06537	5.9
91.05477	38.8
93.07045	59.1
95.04974	62.9
95.08605	38.3
97.06523	13.9
97.10159	2.9
103.05486	5.7
103.86714	3.0
105.04556	3.0
105.07030	100.0
107.08590	29.5
109.06528	14.7
109.10175	9.7
111.08086	3.6
113.00017	8.7
115.05408	4.3
117.07030	12.3
119.04990	3.6
119.08593	67.3
121.06509	25.8
121.10109	18.5
123.08073	19.8
123.11735	4.0
128.06259	6.9
129.07037	8.6
130.07809	3.9
131.08554	20.3
132.09358	3.3
133.06479	5.7
133.10135	26.2
135.08035	19.1
135.11682	6.3
137.09644	10.6
141.07098	3.5
142.07814	12.8
143.08556	23.1
143.84776	2.5
144.09389	4.4
145.06522	3.3
145.10136	57.6
147.08076	17.2
147.11694	43.2
149.09625	12.0
151.07518	24.9
153.07155	2.8
153.09174	2.7
155.08554	6.4
156.09311	4.6
157.10136	28.5
159.08098	8.0
159.11713	19.9
160.08727	3.0
161.09624	11.9
161.13252	6.0
163.11240	7.3
165.09128	46.4
167.08633	4.6
168.09392	6.9
169.10146	20.2
171.11684	16.3
173.09651	5.7
173.13293	10.5
175.11197	33.0
177.09201	3.4
179.08592	4.5
181.10106	6.6
181.12183	5.0
182.11026	3.9
183.11768	14.6
185.09595	3.8
185.13222	7.5
187.11224	5.6
189.12764	7.8
191.14365	3.9
195.11650	5.2
197.13277	5.4
199.11157	3.8
201.12779	10.5
203.14316	22.6
205.12468	2.8
207.11766	5.5
207.13806	8.4
209.13266	4.9
209.15175	4.1
211.11429	3.2
211.14909	6.0
213.12749	4.7
213.16571	3.6
219.13820	6.5
221.13220	4.7
221.15384	88.8
222.15709	4.1
223.14952	4.1
229.15985	6.6
231.13731	4.1
234.16147	14.4
241.15781	3.5
248.06174	2.7
249.16562	3.9
286.19305	6.2
287.20090	9.9
329.21121	8.5
391.26190	7.6
409.22711	4.7
409.27444	59.5
410.27551	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03952	3.3
55.01840	2.0
55.05519	18.7
56.78338	1.7
57.03441	2.1
57.07071	9.5
59.04991	3.3
65.03938	2.3
67.05505	25.1
69.03411	10.4
69.07065	12.3
69.98810	5.3
71.05001	3.5
71.08620	2.8
79.05489	23.5
81.06603	1.9
81.07057	48.7
82.15536	1.8
83.04976	7.5
83.08620	7.2
85.06541	5.5
89.06040	10.1
91.05480	32.2
92.30609	1.7
93.07044	59.7
94.20615	2.2
95.04972	56.5
95.08604	38.5
97.06529	13.9
98.23450	2.1
103.05476	4.0
105.04504	2.4
105.07030	100.0
106.07321	2.9
107.08595	30.6
109.06504	15.6
109.10164	42.0
111.08103	3.3
113.00022	2.7
115.05462	3.6
117.07018	15.5
119.04945	3.5
119.08585	70.3
121.06490	22.9
121.10158	16.6
123.08073	24.3
125.09657	3.0
128.06242	5.9
129.07014	9.1
130.07800	5.4
131.08577	25.1
133.06506	6.1
133.10133	24.3
135.08044	16.1
135.11717	4.2
137.05936	3.0
137.09654	11.9
141.07025	3.8
141.08083	1.8
142.07774	12.4
143.08571	24.2
144.09288	3.1
145.06459	2.5
145.10124	49.1
145.11214	3.2
147.08067	15.0
147.11702	37.1
149.09651	11.6
151.07552	31.0
153.09102	3.5
154.07848	2.3
155.08539	11.3
156.09317	4.3
157.10138	27.3
159.08081	5.3
159.11717	20.2
160.08844	2.2
161.06267	2.2
161.09627	10.1
161.13269	7.1
163.11104	9.6
165.07016	3.3
165.09126	43.4
167.08607	2.3
168.09357	5.5
169.10110	14.8
170.10901	3.1
171.11726	16.5
172.12350	2.1
173.09647	6.1
173.13249	9.7
175.11197	32.7
175.14850	3.8
177.09175	5.5
181.10091	5.9
181.12283	6.4
182.10861	4.3
183.11673	16.3
185.09608	2.3
185.13272	5.1
187.11182	7.4
187.14833	5.5
189.12790	8.2
191.14314	4.0
193.10223	3.1
195.11705	6.3
196.12393	2.7
197.09764	2.3
197.13318	7.6
199.11285	3.6
199.14873	2.2
201.12700	16.1
201.16336	2.9
203.14328	18.6
207.12004	2.2
207.13831	11.4
208.12433	3.4
209.13287	6.7
209.15453	5.2
210.13948	3.3
211.11478	2.1
211.14767	9.0
213.12848	3.9
215.14352	6.1
216.15056	2.2
219.11833	2.5
219.13869	5.9
221.13348	3.7
221.15364	98.6
222.15718	3.8
223.14883	5.5
224.05067	1.9
225.12708	2.4
225.16394	3.9
229.15915	8.1
231.13918	3.3
232.47942	2.2
233.13252	2.4
233.15442	5.9
234.16203	15.2
235.14839	4.4
239.14749	3.2
243.14088	2.0
253.15921	4.6
268.18286	2.4
286.19388	7.4
287.20059	11.5
297.18552	3.0
299.20050	2.5
300.20956	4.0
312.21118	2.7
317.21353	2.9
329.21213	8.4
353.21075	3.0
373.25223	2.6
391.26340	10.9
393.32513	3.0
409.27399	89.6
410.27734	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92129	1.4
53.03933	2.5
55.01849	2.1
55.05515	21.6
57.07076	7.0
58.13047	1.3
59.04997	3.3
65.03947	3.0
65.96677	1.2
67.05499	19.9
67.89538	1.5
69.03439	7.8
69.07059	7.7
69.34441	7.4
71.04976	1.5
77.03923	2.1
79.05488	22.9
81.07049	34.1
82.09985	1.3
83.04985	5.3
83.08638	4.6
84.47561	1.3
85.06546	3.5
91.05476	36.3
93.07037	46.9
95.04966	54.5
95.08603	24.5
97.05959	1.2
97.06511	8.4
103.05467	3.1
105.04539	1.6
105.07025	100.0
106.07342	2.1
107.08573	26.6
109.06512	15.3
109.09521	1.5
109.10140	7.4
111.08047	1.9
113.00005	2.7
115.05420	2.2
115.64902	1.5
116.06258	1.7
117.07028	13.8
119.04945	2.3
119.06085	1.6
119.08578	64.8
120.09451	1.6
121.06505	18.5
121.10159	16.5
122.10535	1.5
123.08060	16.6
123.11756	1.3
128.06252	4.3
129.07004	8.6
130.07780	5.0
131.08574	22.4
132.09328	2.7
133.06493	4.9
133.10130	17.5
135.08055	14.5
135.11687	3.9
137.06044	2.0
137.09631	8.0
141.06973	5.5
142.07780	12.0
143.08566	15.8
144.09354	3.6
145.06517	2.1
145.10107	34.1
147.08028	13.5
147.11671	34.6
148.08844	1.5
149.09610	14.8
151.07567	17.7
153.07103	1.8
153.09064	1.7
155.08577	6.1
156.09377	4.2
157.10138	21.2
158.10738	2.4
159.08025	6.0
159.11682	11.7
160.12428	1.5
161.09685	7.4
161.13278	5.0
163.11227	4.1
165.07019	2.1
165.09103	30.1
167.08569	2.4
168.09328	3.1
169.10172	10.7
170.10869	3.0
171.11667	10.8
173.09630	5.3
173.13251	7.1
174.10347	1.6
175.11176	28.4
177.09096	3.8
178.09921	2.3
179.08575	1.7
179.14275	1.6
180.09250	1.9
181.10147	4.6
181.12135	1.8
183.11734	9.5
185.13271	4.6
187.11180	3.8
187.14717	1.8
189.12720	7.8
191.14326	3.0
194.10924	2.6
195.11725	4.3
196.12396	2.4
197.11690	1.7
197.13338	4.7
199.11201	3.0
199.14871	2.1
201.12781	7.4
201.16328	2.2
203.14296	14.6
207.11874	2.5
207.13818	8.6
209.13423	2.6
209.15427	3.6
211.14886	4.9
213.12794	2.0
215.14299	3.6
216.15076	1.6
219.13812	3.2
221.15346	75.5
222.15726	4.6
223.14842	2.0
225.12679	1.8
225.16428	2.5
229.15898	3.2
231.13681	2.4
233.15312	3.0
234.16158	17.6
239.14247	2.0
253.15765	2.1
255.13873	1.5
269.19012	2.1
282.19708	1.6
286.19223	3.0
287.19962	7.9
299.20169	1.6
300.20825	5.6
329.21118	4.8
373.25070	2.5
391.26318	6.4
409.27335	41.1
410.27847	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29090	2.0
55.01870	2.2
55.05506	18.6
57.07062	7.8
67.05500	17.7
69.03421	6.3
69.07052	7.4
69.34639	9.3
74.09074	1.7
77.03904	2.1
79.05499	18.4
80.05816	1.8
81.07054	33.2
83.04986	5.3
83.08618	3.1
91.05481	35.1
91.60698	1.8
93.07039	47.5
95.04969	52.0
95.08601	23.1
97.06525	8.7
98.23433	4.9
103.05457	3.1
105.07025	100.0
107.08594	22.7
109.06515	13.5
109.10145	9.0
111.08074	3.6
115.05411	2.1
117.07005	13.4
119.05000	2.4
119.08575	51.7
121.06489	20.5
121.10132	14.2
123.08073	15.1
128.06215	5.1
129.07005	6.6
130.07822	6.2
131.08571	22.5
133.06503	3.3
133.10110	17.9
135.08035	15.6
135.11700	3.2
137.09627	9.7
141.06978	3.4
142.07742	11.4
143.08582	15.4
143.92317	1.9
144.09341	3.7
145.06496	1.9
145.10126	40.5
146.10580	2.1
147.08044	14.9
147.11664	36.2
149.09583	12.1
151.07503	22.2
155.08528	8.0
156.09277	6.3
157.10124	21.2
158.10957	2.8
159.08095	4.8
159.11729	13.6
161.09634	6.9
161.13217	4.3
163.11107	3.3
165.09093	33.9
168.09303	2.9
169.10124	10.9
170.10973	2.0
171.11667	9.5
173.09618	3.6
173.13264	7.8
175.11182	28.0
176.35046	2.2
177.09200	2.9
179.08569	2.7
181.10098	4.4
181.12172	2.6
183.11710	10.3
185.13301	3.9
187.11241	4.7
189.12720	5.2
195.11658	4.8
197.13251	3.2
199.11201	3.9
201.12727	7.3
203.14301	13.6
207.11897	2.3
207.13666	9.6
209.13383	3.3
209.15340	3.5
211.11145	2.6
211.14827	5.6
219.13774	3.4
221.15352	71.0
226.41277	1.9
227.14252	2.4
229.15924	5.4
233.15407	2.5
234.16098	15.6
253.15855	2.5
286.19000	2.1
287.20020	7.3
299.20099	2.1
300.20959	4.2
329.21078	8.1
391.26343	5.9
409.27298	49.0
410.27777	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	9.5
55.05511	10.9
57.03425	3.6
57.07068	4.2
65.03923	1.6
67.05499	23.4
69.03404	1.5
69.07061	17.8
71.04988	2.9
71.08617	2.5
73.58525	1.4
75.04485	1.2
79.05490	17.5
81.07050	31.8
83.04965	4.0
83.08620	9.6
85.06530	2.2
86.87018	1.2
88.47827	1.2
90.83124	1.1
91.05474	13.5
93.07038	23.5
95.04961	12.8
95.08602	22.4
95.42075	1.3
97.06526	10.2
97.10191	1.9
100.98282	1.2
105.07019	19.6
107.08586	16.9
109.06510	41.9
109.10154	8.0
111.08084	1.8
113.00024	6.4
117.07014	4.5
119.08575	16.7
121.06488	17.4
121.10153	8.7
123.08026	4.3
123.11681	2.1
125.09638	1.2
129.06987	2.3
131.08574	9.6
133.10143	7.6
135.08064	6.6
135.11681	6.0
137.09657	1.5
143.08585	2.7
145.10121	11.8
147.08055	1.4
147.11671	7.1
149.09607	3.3
149.13249	2.5
151.11252	1.6
153.12816	1.1
155.08469	1.3
157.10121	2.7
159.11664	4.9
161.09578	1.4
161.13243	3.3
163.11165	16.5
164.11592	1.8
165.12743	18.5
169.02618	6.5
171.11719	1.5
173.13228	2.3
177.12747	1.9
183.11659	1.2
185.13321	1.3
189.16489	1.4
191.14333	2.4
203.14186	1.3
249.18504	5.5
261.18417	4.8
289.25232	15.9
290.25812	1.9
297.24350	2.8
299.23462	1.3
317.24719	100.0
318.25073	7.0
319.26328	1.4
335.25977	1.9
353.23105	1.5
355.26447	3.3
373.27463	3.4
391.28354	5.8
409.24210	4.2
409.29462	79.4
410.29797	8.2
431.01776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.97729	1.1
55.01868	3.1
55.05508	9.6
56.08119	0.9
57.03432	5.1
57.07072	7.0
67.05505	18.0
68.09116	1.0
69.03436	3.0
69.07066	14.4
69.49571	0.9
71.04996	1.8
71.08626	19.1
75.04474	1.3
77.94091	1.1
79.05491	13.6
81.07053	31.7
83.04999	3.0
83.08625	6.3
85.06535	3.0
85.37736	1.1
91.05478	11.7
93.07040	19.3
95.04958	22.4
95.08599	20.7
95.09196	1.1
97.06532	8.6
97.10168	1.3
99.08090	15.7
105.07014	15.8
107.04971	1.3
107.08581	11.9
109.06509	37.2
109.10163	7.1
111.08087	2.0
114.86471	1.3
117.07021	2.0
119.08578	12.4
119.35359	1.1
121.06511	12.7
121.10129	9.3
123.08067	2.3
123.11704	3.5
129.07056	1.7
131.08560	7.5
133.10106	7.7
135.08072	6.8
135.11716	5.4
137.09613	2.4
143.08536	1.7
145.10130	7.8
147.11682	6.2
149.09633	3.1
149.13306	1.8
151.07549	2.6
151.11147	3.0
153.12758	1.4
157.10155	1.7
159.11649	4.9
161.09625	1.6
161.13266	3.6
163.11134	6.7
163.14822	1.3
165.12747	100.0
166.13130	3.6
169.02585	1.3
173.11914	1.4
173.13326	1.5
175.14879	2.2
177.12759	4.5
179.14296	2.9
185.13272	1.4
187.14873	1.1
191.10545	1.2
191.14304	4.7
201.16391	2.9
203.14330	1.3
205.15932	1.7
209.19026	6.5
217.53954	1.0
219.17455	4.4
221.15247	1.1
237.18539	1.6
261.18491	2.4
279.19531	1.1
289.25275	12.7
299.23752	3.1
307.26349	2.4
307.97864	1.1
308.22244	4.1
315.81302	1.2
317.24731	88.1
318.25040	7.2
335.25784	34.0
373.27701	1.3
375.24982	2.4
391.28375	12.0
409.29507	66.1
410.29889	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27947	0.6
56.96552	1.5
67.07952	0.6
69.41699	2.6
70.89188	0.7
81.07054	1.8
84.58431	0.7
89.11023	0.6
93.07037	0.7
95.08604	1.1
98.23425	1.4
107.08607	0.7
137.02330	0.7
149.02364	0.7
165.12694	0.7
188.16270	0.7
189.00700	1.0
191.08545	0.7
194.73221	0.7
199.06450	1.0
213.05460	3.4
214.10022	0.6
219.07971	4.0
222.76831	0.6
224.95589	0.6
231.06332	0.7
234.06657	0.7
235.07477	0.9
237.05446	0.7
241.05006	4.8
247.07504	4.9
248.08128	0.8
249.09027	0.8
250.06229	0.9
261.05667	0.9
262.06335	3.3
263.06888	1.3
275.06952	6.5
277.08548	8.9
278.05798	0.6
279.06430	1.6
290.05634	6.4
291.06439	2.0
292.06958	1.3
303.06540	11.6
304.06943	1.2
305.04706	1.3
305.08035	11.1
306.05063	1.6
306.08493	1.4
307.09818	1.2
316.03647	1.4
318.05106	1.0
319.06128	3.5
320.06787	8.1
321.07449	1.9
331.06042	4.6
333.07422	1.5
334.04568	2.0
334.08316	2.7
335.09021	5.7
349.07025	5.7
351.18600	2.2
361.06989	1.2
369.19327	2.3
379.08090	100.0
380.08417	8.6
393.09482	1.5
410.14063	1.1
410.29645	0.7
415.45004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.16
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78835	1.1
69.07046	1.2
69.32118	5.9
81.07040	1.1
85.04410	1.0
91.05485	1.1
135.11636	1.3
161.09988	1.9
176.14355	1.6
219.08052	1.9
222.21458	1.1
246.06963	1.3
247.07512	5.1
248.08359	2.8
259.07394	1.2
260.08258	2.4
261.05511	1.1
263.10648	4.4
275.07004	4.3
276.07751	2.3
277.08649	2.1
279.10004	1.9
289.08612	3.7
291.10196	7.9
303.06549	9.9
307.09552	3.3
321.11203	12.1
333.07550	1.9
335.09109	9.6
347.08942	2.7
365.10202	100.0
366.10477	6.8
377.14990	1.2
392.24561	1.6
409.25955	3.2
410.25717	14.2
411.10443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19009	1.3
57.03461	1.1
65.12492	1.3
67.05511	11.2
68.05006	1.5
69.03435	3.9
69.07060	3.0
69.73235	5.1
70.06580	2.4
71.04987	2.0
79.05492	3.0
81.03418	3.8
81.07048	4.4
82.37058	1.8
85.02908	7.7
85.06532	2.8
87.00832	3.2
91.05534	1.7
93.07050	3.6
95.06089	34.6
95.06667	2.3
97.02869	3.0
105.01872	7.6
105.07066	1.6
107.08593	3.0
109.02911	2.9
109.10159	19.5
110.08404	1.8
111.05649	1.8
113.07133	15.0
120.04491	1.8
121.10230	1.9
122.03673	2.9
125.09652	2.0
127.03945	5.3
127.11182	9.7
131.04951	1.9
133.10182	1.5
135.11702	3.2
136.07596	2.5
137.05972	100.0
138.06335	3.4
144.27061	1.3
145.05002	3.1
149.05966	1.9
149.09688	1.4
149.13240	2.9
161.05988	1.6
174.05879	1.7
175.07599	4.2
191.07034	4.6
191.14334	2.9
195.13887	1.7
201.03763	4.3
203.05249	14.6
210.06665	1.6
212.17293	1.6
213.14943	1.8
231.04935	3.4
251.06686	1.6
253.08589	2.9
267.10251	3.1
277.08551	1.6
285.11316	3.1
289.10828	1.7
297.11218	2.1
302.17392	1.5
307.20139	14.4
309.11163	8.2
326.07565	2.3
327.12082	2.4
345.13300	18.9
366.27487	28.4
392.08441	1.9
410.09457	3.8
410.18600	5.7
410.26566	3.3
411.15927	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01871	5.9
55.05499	1.6
57.03431	4.1
61.02925	4.6
67.05500	1.9
69.03427	18.6
69.07076	1.6
69.54065	3.5
70.06592	0.9
71.04982	2.8
71.08631	23.3
73.02924	4.5
75.51847	1.0
76.19845	0.9
81.02971	1.0
81.03418	17.8
81.07076	1.2
85.02904	48.9
85.10159	2.6
86.03236	0.9
87.00825	20.5
87.04450	1.7
91.03989	1.2
93.07043	0.8
95.08619	1.4
97.02895	20.8
97.06525	0.8
99.04437	8.9
99.07449	1.9
99.08091	33.6
105.01866	25.2
109.02869	17.1
109.10143	1.8
113.09645	6.5
117.01830	2.6
117.07016	0.9
127.03917	37.7
127.11189	31.7
128.04276	1.5
128.06229	1.4
129.01848	1.8
129.06981	2.3
130.07318	1.3
135.11772	1.4
145.04964	15.4
145.06155	1.3
145.12230	100.0
145.76025	1.0
146.12564	2.9
147.02861	1.4
154.76567	1.0
157.06596	1.1
159.02876	9.7
195.13858	1.4
199.04013	1.1
202.05737	1.2
213.03932	3.2
213.14845	3.1
231.04985	11.3
249.06029	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74164	1.2
61.85735	1.0
66.46801	1.2
67.05508	2.9
69.03428	1.4
69.07081	1.7
69.35817	4.0
69.36208	2.0
78.04712	1.5
79.05504	5.3
81.07070	7.5
85.02906	1.8
86.09695	1.3
90.24155	1.2
91.05485	4.9
93.07014	3.0
94.04182	2.4
95.04955	1.6
95.08601	3.4
103.05471	6.5
104.51099	1.0
105.07049	3.7
105.89010	1.3
107.04967	5.7
107.08602	2.5
109.06537	1.5
117.07019	2.3
120.08132	1.1
121.06528	1.8
121.10258	1.4
122.03648	6.7
123.04468	2.7
124.05203	1.8
127.03948	1.2
128.06204	2.0
131.04939	10.1
131.08600	1.4
133.06526	5.0
133.10132	1.5
135.04431	1.4
135.08093	3.4
135.11691	2.3
137.05988	100.0
138.06345	2.0
139.99771	1.5
143.08592	1.5
145.06479	1.5
147.08026	1.7
147.38649	1.1
151.07587	7.4
154.71082	1.3
157.06500	1.5
158.42308	1.4
161.05946	1.9
163.07549	29.7
165.09184	1.3
167.07051	55.6
168.07458	1.7
171.08075	1.4
175.07585	4.9
187.07549	3.0
189.09044	2.5
193.08640	5.6
195.13863	7.3
203.10822	2.9
203.90671	1.3
213.14926	5.0
218.09409	1.1
219.10042	1.8
233.11641	2.8
237.02985	2.0
251.12726	1.3
261.11819	1.2
293.11633	2.1
325.14438	9.9
326.14825	1.8
357.17004	15.3
375.18027	3.6
410.25116	4.4
411.17749	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27446	1.1
55.05498	4.1
56.94931	1.1
56.96563	22.4
57.44133	1.5
59.83609	1.0
62.65686	1.2
63.17165	1.0
79.05452	1.5
80.94857	1.4
81.07049	2.8
83.08596	3.2
89.97057	1.0
95.08588	1.6
105.07008	1.2
110.97555	2.0
121.06504	2.2
123.01218	1.7
128.98619	1.9
141.02205	1.4
151.07619	1.4
155.03824	1.4
157.05611	1.5
161.13310	1.7
185.04764	1.3
195.06993	1.7
199.06375	5.4
213.07932	11.6
217.07455	2.7
223.10020	1.4
225.08002	5.8
229.07449	11.1
231.09035	10.3
233.05807	1.4
238.18045	3.9
239.09474	5.2
241.11137	9.8
242.11586	1.2
243.09000	2.8
247.08534	4.9
251.09555	9.3
253.11038	1.3
255.09033	4.4
257.10568	2.2
259.12106	10.2
261.07632	3.7
263.06851	1.4
264.12878	1.3
266.69156	1.1
269.10580	45.8
270.10754	2.0
273.10034	2.5
287.11694	16.0
289.07214	1.5
291.06561	1.8
292.12149	2.5
319.05917	2.2
320.06714	2.2
333.03735	1.6
333.17310	19.5
337.07001	2.9
349.07007	5.1
351.18411	35.3
352.18915	1.9
363.08551	2.7
369.19470	100.0
370.19809	6.8
374.19943	3.7
375.21143	1.3
379.08151	2.8
387.20523	71.6
388.20993	2.6
393.09665	3.6
410.21957	14.0
410.27209	3.9
411.10706	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.05517	9.9
57.03434	2.7
67.05507	36.2
69.03432	6.3
69.07074	14.8
69.83725	5.1
71.04982	5.5
73.02906	3.2
79.05505	19.4
81.03417	4.0
81.07062	66.3
83.04977	2.6
83.08636	12.7
85.02908	27.4
85.06546	1.9
87.04499	2.0
91.05480	15.0
93.06525	2.7
93.07055	33.4
95.04971	3.2
95.06088	3.0
95.08615	20.7
97.02878	9.6
97.06525	5.8
99.04501	2.4
99.08070	2.0
105.01866	2.0
105.07033	5.5
107.08604	18.3
109.02921	3.6
109.10163	2.3
111.08090	8.4
113.40700	1.7
115.03873	2.3
117.06998	8.5
119.08626	2.5
120.08053	1.7
121.06472	2.0
121.10144	5.4
123.11699	5.6
125.09705	2.0
127.03902	6.3
127.11201	6.1
131.08545	7.3
133.10147	19.3
135.11720	15.9
136.07613	8.9
139.07487	2.0
145.04921	4.8
149.13258	32.2
159.11687	13.4
177.12788	13.7
180.08742	2.1
183.40395	1.7
195.13814	100.0
196.14145	3.7
213.14870	68.0
250.14886	2.4
277.17908	2.0
382.25317	1.9
410.18399	7.5
410.25391	4.0
411.19879	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76517	0.5
55.01865	1.4
55.05513	5.3
57.03431	0.9
63.16774	0.5
67.05505	5.0
69.03416	2.5
69.07066	2.1
71.04993	9.4
79.05518	3.0
81.03426	1.4
81.07058	4.0
83.04980	1.0
83.08623	5.0
85.02901	4.8
85.06542	0.8
87.00816	1.4
87.04459	1.7
91.05492	1.4
93.07044	4.0
95.04964	0.9
95.06065	1.8
95.08598	2.5
97.02873	1.7
97.06526	16.0
97.10168	9.7
99.04462	0.9
105.01889	1.1
105.07016	1.1
106.83571	0.6
107.08578	3.0
109.10146	3.6
111.04457	0.7
111.08074	0.8
117.06995	1.4
119.08651	0.7
121.10121	1.2
123.04395	1.4
125.09630	6.4
127.03919	2.0
131.08543	1.1
133.10135	0.8
135.08078	1.0
135.11684	5.1
136.07637	0.7
137.05933	1.2
141.31036	0.6
145.04959	1.0
149.13252	1.1
153.09048	0.7
153.12694	3.1
159.11720	1.1
160.07593	1.1
161.06004	1.2
174.99315	0.6
177.12762	2.2
188.07047	1.6
195.13791	9.5
211.13077	0.6
213.14848	100.0
214.15195	4.0
231.15947	2.4
332.99210	0.6
366.27487	0.9
410.18558	17.2
410.25095	3.5
411.19876	14.5
411.24643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04045	0.6
55.01857	1.8
55.05507	3.3
57.07071	2.4
58.29657	0.6
62.59097	0.5
67.05500	5.6
67.10184	0.6
69.03420	0.8
69.07070	4.3
71.08636	3.5
72.40536	0.6
72.80925	0.5
73.58708	0.6
78.07515	0.6
79.05482	6.0
81.07062	6.6
83.04971	0.8
83.08595	1.5
85.06550	1.1
91.05473	3.5
93.07046	4.3
94.07366	0.7
95.04964	7.1
95.08606	5.5
97.06520	1.8
97.66405	0.6
99.08101	1.6
103.05482	2.5
105.07031	100.0
106.07355	2.1
107.04955	0.7
107.08595	4.9
109.06529	8.8
109.10146	2.0
117.07020	1.6
119.08579	2.8
120.08108	7.3
121.06503	1.1
121.10143	1.3
122.09664	42.2
123.09996	1.0
130.06564	1.3
131.08594	3.5
133.10158	2.5
135.08032	1.5
137.09608	1.0
145.10129	2.3
146.09679	1.1
147.11696	2.4
148.07565	2.3
149.13263	1.5
157.10072	0.9
160.98689	0.6
161.13277	1.0
163.11226	0.8
163.14815	1.5
165.12758	32.3
165.56149	0.7
166.13147	1.1
169.42455	0.7
173.13289	3.7
175.11198	2.0
177.12814	0.7
179.14267	0.8
190.12306	1.9
191.14326	2.5
200.37970	0.6
201.12778	1.8
204.07211	0.6
204.13828	1.0
209.24557	0.6
221.15280	0.6
229.19524	1.2
258.18463	3.2
271.20667	3.6
278.05276	0.6
288.19638	1.7
289.21652	4.1
296.20093	1.7
312.23154	9.9
312.26453	0.7
354.24771	0.8
392.29453	2.1
410.30618	21.0
411.30972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	100.0
57.48246	8.6
67.05503	30.4
68.69085	8.2
69.07059	29.5
71.36354	10.0
79.05479	18.6
81.07050	28.4
83.08631	70.8
91.05471	24.3
93.07056	25.1
95.04942	11.0
95.08601	21.4
96.71570	9.1
105.07039	22.6
107.08576	11.4
109.10149	19.6
111.38223	8.5
113.00034	16.4
115.00416	12.7
119.08607	15.9
121.10135	12.2
127.96114	9.9
131.08630	13.1
133.10077	14.4
135.11650	17.1
145.10091	18.5
147.11720	11.5
155.70865	10.2
159.11629	13.3
169.02597	11.3
171.03018	16.7
175.55658	9.7
200.37263	9.8
223.84442	8.9
249.18442	9.4
275.20062	69.8
293.20999	13.9
322.59180	10.0
410.19550	16.7
410.26105	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
80.57559	0.9
104.65290	1.1
121.06480	1.7
165.06929	1.5
193.06538	1.6
204.05743	1.7
205.06519	2.8
207.08171	1.6
219.08072	2.0
221.05975	7.9
223.07558	2.9
233.06027	2.8
234.06778	3.0
235.07532	6.0
236.08246	2.5
237.09145	1.7
245.06003	1.3
246.06705	1.1
247.07610	2.3
248.08354	3.6
249.05450	10.8
249.09224	2.3
250.06178	2.1
251.07025	5.7
251.10608	1.3
259.03922	2.3
261.05502	3.7
262.06259	3.4
263.07013	11.2
264.07803	23.8
265.08545	4.4
266.09378	1.5
274.06229	1.8
275.07050	4.0
276.07797	13.1
277.04944	9.5
277.08548	4.2
278.05768	4.5
278.09433	10.0
279.06516	6.3
279.10138	3.3
281.11682	1.4
287.03281	2.7
289.04977	4.9
290.05771	6.5
291.06500	9.1
292.07330	17.3
293.08090	6.9
294.05759	1.3
294.08759	6.4
303.06427	2.8
304.07312	11.3
305.04416	11.1
305.08069	11.3
306.05066	2.7
306.08804	5.9
307.06003	5.2
307.09634	4.8
309.07925	2.1
309.11163	11.0
315.02914	4.1
318.04974	1.8
319.06036	4.8
319.09393	1.9
320.06784	48.7
321.07504	20.5
322.08289	11.8
332.06808	2.8
333.03897	7.0
333.07584	2.4
334.08295	6.2
335.09125	100.0
336.09842	26.2
337.06992	4.6
337.10651	46.7
338.11176	1.9
346.04434	1.8
347.05292	1.6
348.06253	37.7
349.06833	3.2
350.07782	5.0
350.11716	1.5
351.08566	8.5
352.05762	0.8
352.09436	19.1
361.07092	4.2
363.08621	94.5
364.08960	5.9
366.07190	2.5
366.11023	7.3
367.08060	2.8
367.11835	36.5
368.12177	2.3
378.07346	6.3
379.07990	5.1
380.08676	2.1
381.09665	97.1
382.10178	5.2
393.09677	31.0
394.10236	3.1
396.08331	2.2
411.10754	24.5
412.10886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1074
Annotation	Dehydropodophyllotoxin
Peak:m/z	Relative Intensity
53.99536	1.1
62.15593	1.3
69.54079	4.8
93.65356	1.2
98.23387	2.6
112.25083	1.4
158.74928	1.3
205.06485	2.4
206.07155	1.3
206.75403	1.2
208.08665	1.2
218.07159	1.3
219.04184	1.1
219.08008	1.8
221.06056	9.2
223.07520	3.2
230.59555	1.1
233.05980	3.3
234.06792	3.8
235.07494	6.8
236.08203	2.3
236.17726	1.1
240.07852	1.6
247.03937	1.2
247.07756	1.4
248.08356	2.8
249.05502	13.5
249.09200	2.7
250.06189	2.5
250.09810	1.3
251.07007	5.2
259.03745	1.8
261.05527	4.1
262.06241	3.9
263.06976	10.1
264.07770	23.2
265.08377	4.5
266.09305	2.1
267.77808	1.3
274.06201	2.1
275.06876	2.9
276.04578	2.0
276.07813	12.5
277.04904	9.2
277.08435	4.1
278.05731	3.8
278.09354	9.9
279.06577	7.7
279.10019	3.7
287.03314	3.4
289.04968	3.4
290.05701	7.2
291.06482	9.6
292.07242	18.8
293.07797	7.0
294.08823	7.3
303.06287	2.2
304.07288	13.1
305.04395	13.6
305.08093	12.5
306.05386	2.3
306.08731	7.4
307.06003	6.6
307.09610	5.7
308.06625	1.3
309.07761	1.9
309.11176	10.4
310.11288	1.8
315.02933	4.3
318.04984	1.6
319.05933	4.1
319.09323	1.7
320.06784	51.4
321.03992	1.7
321.07544	20.5
322.08286	12.1
323.08893	1.6
333.03949	7.6
333.07574	3.4
334.08340	6.9
335.09128	100.0
336.09824	32.4
337.07401	1.8
337.10660	45.9
338.10965	3.3
346.04666	1.8
348.06299	42.7
349.06604	3.7
350.07748	4.2
350.11523	1.5
351.08569	12.9
352.09320	18.7
361.07083	5.4
363.08624	92.5
364.09143	8.2
366.07147	3.2
366.11090	6.9
367.07840	4.1
367.11792	35.9
368.12198	3.0
378.07275	6.1
379.08084	4.3
380.09024	2.5
381.09683	88.3
382.10123	7.5
393.09705	32.5
394.10187	4.1
396.08328	2.4
411.10730	21.1
412.10925	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1072
Annotation	Dehydropodophyllotoxin
Peak:m/z	Relative Intensity
50.01591	0.5
51.02367	1.0
53.00084	0.3
53.00307	0.6
53.03950	1.6
55.01860	0.7
64.35297	0.2
68.99795	0.4
69.25852	0.8
79.01846	6.2
81.03413	0.7
88.04605	0.1
107.01311	10.8
108.01659	0.2
109.02874	4.5
128.06226	0.2
129.06953	0.2
137.02330	100.0
138.02654	2.0
144.05559	0.2
158.07303	0.2
159.08087	0.3
162.44894	0.2
165.06981	0.3
167.08571	0.2
169.79283	0.2
172.05194	4.0
173.05791	0.2
175.07533	0.3
176.22156	0.2
177.06976	0.2
178.07787	0.5
179.08591	0.4
181.06502	0.2
185.06006	0.4
186.06773	0.6
187.07555	0.5
189.06950	0.3
190.07759	0.3
191.08659	0.3
193.06511	0.2
193.10162	0.2
194.07167	0.3
195.08067	1.4
199.07549	1.3
203.05049	0.2
203.07004	0.7
204.05627	0.3
205.06520	0.6
206.07266	0.5
207.07977	0.9
208.05208	0.2
208.08781	0.3
209.05954	0.3
209.09628	0.4
210.06715	0.2
210.10353	0.2
214.06242	0.7
215.07031	2.3
216.04128	0.4
217.08646	0.5
218.07202	0.4
218.09187	0.2
219.08035	1.2
220.08655	0.5
221.05922	0.9
221.08099	0.7
222.06726	0.6
222.10310	0.3
223.07518	2.5
224.08147	0.5
225.09033	0.4
226.09898	0.2
227.06778	0.2
229.08568	3.6
230.09360	7.4
231.06488	5.8
231.08670	0.3
233.05995	0.8
234.06721	1.4
235.07521	3.5
235.09711	1.0
236.04617	0.5
236.08362	1.0
237.05469	0.3
237.09091	1.3
238.06268	0.2
238.09944	1.0
239.06958	0.5
240.07692	0.3
241.04817	0.2
243.10165	0.3
245.08080	5.3
246.06599	1.1
247.07462	1.8
247.09595	0.4
248.08344	0.9
249.05428	1.0
249.09094	2.5
250.06317	1.0
250.09900	2.0
251.07028	5.9
251.10208	0.3
252.07738	1.1
253.08521	0.6
254.09218	0.3
255.10098	0.5
257.08057	2.4
259.06018	0.7
261.05423	0.6
261.09122	0.2
262.06271	1.1
263.07022	6.0
264.04309	0.4
264.07764	1.8
265.05469	0.3
265.08582	1.7
266.09338	1.9
267.06497	0.7
267.10040	0.6
268.07181	0.2
269.11569	0.4
273.07712	0.9
274.08365	17.9
275.06979	1.1
275.09177	0.4
276.04446	0.2
276.07745	0.9
277.05054	0.8
277.08609	3.8
278.05756	1.5
278.09341	3.0
279.06525	4.2
279.10092	1.3
279.35965	0.2
280.07141	0.8
281.08075	0.9
281.11697	1.1
282.08881	0.5
283.06467	0.3
283.09589	1.8
289.04871	0.5
289.08401	0.3
290.05771	1.0
290.09348	0.7
291.06522	4.4
291.09866	0.4
292.03616	0.4
292.07260	1.7
293.08066	2.1
294.05219	1.0
294.08865	2.5
295.05994	0.6
295.09229	0.4
297.11246	0.4
302.05637	0.2
303.06586	0.7
304.07288	1.2
305.04434	0.8
305.08005	5.4
306.05435	0.8
306.08817	14.8
307.05975	4.6
307.09503	2.0
308.06689	0.5
308.10294	0.4
309.07617	0.6
309.11127	6.5
310.08325	0.2
310.11685	0.3
311.09021	1.2
317.04428	0.2
317.07898	0.2
318.05295	0.3
318.08725	1.1
319.06009	1.2
319.09592	0.6
320.06744	1.6
321.07523	4.3
322.08310	6.8
323.05502	0.3
323.08929	0.8
324.09793	0.2
325.10648	1.1
332.06766	0.3
333.07584	0.4
334.04688	0.3
334.08255	1.1
335.05420	1.3
335.09128	3.3
336.06396	0.4
336.09882	7.0
337.06934	0.9
337.10617	7.9
338.07724	0.3
338.11270	0.4
347.05322	0.3
348.06250	0.8
349.07010	1.5
349.10791	0.5
350.07877	1.1
351.04926	0.2
351.08490	1.0
352.09323	2.2
353.10190	3.9
353.14603	0.2
354.10767	0.3
361.07043	0.6
362.07788	1.6
363.04495	0.3
363.08594	2.4
364.09204	0.2
367.11749	5.7
368.11874	0.4
376.09430	0.7
378.07480	0.9
379.08066	1.5
381.09576	3.4
393.09567	1.8
396.08228	0.2
411.10699	67.1
412.11035	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1073
Annotation	Aklaviketone
Peak:m/z	Relative Intensity
63.93526	0.5
69.32179	1.5
69.32578	0.7
95.01669	0.4
98.22658	0.9
137.02368	1.0
200.11714	0.5
205.06438	0.7
218.07394	0.5
219.08015	0.6
221.05943	4.4
223.07433	0.6
233.05986	1.5
234.06667	0.8
235.07613	0.7
246.06839	0.7
247.07539	1.3
248.08304	0.8
249.05464	9.3
250.06075	1.1
251.07033	1.0
261.05508	1.8
262.06360	1.2
263.07037	1.7
264.07809	2.4
269.10953	0.7
274.06033	0.5
276.07761	3.2
277.04999	6.2
278.05728	3.9
278.08984	1.0
279.06494	1.9
279.10135	1.1
289.04803	0.6
290.05597	0.6
291.06525	2.6
292.07227	3.6
293.07919	0.6
300.18906	0.5
303.02960	0.6
304.07230	4.1
305.04407	2.3
305.07675	1.0
306.05273	1.1
306.08789	0.8
307.06003	7.3
307.09668	3.9
308.06284	0.7
317.08112	1.2
319.06094	1.9
320.06757	3.8
321.07416	1.1
322.08337	6.4
333.03848	2.4
334.08194	1.2
335.05505	1.8
335.09167	4.3
345.07843	0.6
348.02090	0.7
348.06296	11.7
349.06860	2.3
349.10626	0.6
350.07773	5.3
363.04483	0.8
363.08618	7.2
364.08963	0.5
378.07352	2.1
393.09662	100.0
394.09955	5.8
411.10696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1075
Annotation	Dehydropodophyllotoxin
Peak:m/z	Relative Intensity
50.01587	0.4
51.02375	0.9
53.00310	0.4
53.03942	1.8
55.01872	0.4
56.16240	0.2
57.89815	0.2
68.99763	0.6
69.43517	1.1
79.01855	5.8
81.03397	0.6
93.01570	0.2
107.01315	11.2
109.02876	4.2
113.47688	0.2
137.02335	100.0
138.02684	2.0
167.08583	0.3
172.05170	3.3
177.07005	0.3
178.07751	0.6
179.08644	0.4
185.05939	0.4
186.06802	0.8
187.07524	0.6
189.06927	0.4
190.07780	0.4
191.08614	0.7
194.07283	0.3
195.08008	1.3
199.07541	1.0
203.07021	0.8
205.06429	1.3
206.07195	0.6
207.08025	0.9
208.08907	0.4
209.09563	0.4
212.08278	0.3
213.59579	0.3
214.06206	0.8
215.06955	1.8
217.08635	0.4
218.07265	0.4
219.08104	1.1
220.08701	0.4
221.06038	0.7
221.07883	0.5
222.06764	0.8
222.10318	0.3
223.07552	2.6
224.08156	0.4
225.08972	0.5
229.08604	3.4
230.09372	8.1
231.06485	5.9
233.06015	1.1
234.06738	1.4
235.07526	4.2
235.09764	0.9
236.08229	1.0
237.05345	0.4
237.09081	1.4
238.06303	0.3
238.09744	1.3
239.07072	0.6
240.07817	0.4
243.10199	0.3
245.08086	5.9
246.06696	1.1
247.07521	1.8
247.09715	0.4
248.08318	1.1
249.05469	0.9
249.09128	2.0
250.06232	1.2
250.09879	2.0
251.07028	5.4
251.09903	0.4
251.10771	0.4
252.07681	0.8
253.08691	0.7
255.10208	0.5
257.08121	2.3
259.06067	0.7
261.05515	0.7
262.06189	1.4
263.06995	6.0
264.04172	0.6
264.07773	1.6
265.04932	0.5
265.08588	1.9
266.05905	0.2
266.09296	1.7
267.06464	0.7
267.10013	0.6
269.11707	0.4
273.07574	1.0
274.08371	17.5
275.06659	0.5
275.09149	0.4
276.07730	1.3
277.05014	1.1
277.08609	3.8
278.05759	0.9
278.09348	3.3
279.06537	4.7
279.10028	1.3
280.07220	0.9
281.08322	0.6
281.11758	0.8
282.08813	0.4
283.09576	1.4
289.04999	0.4
289.08356	0.4
290.05783	0.7
290.09113	0.5
291.06500	4.3
291.09537	0.5
291.26987	0.3
292.03784	0.5
292.07211	1.3
293.04767	0.5
293.08102	1.6
294.05228	1.3
294.08868	2.6
295.06232	0.6
295.09567	0.7
297.11209	0.6
303.06454	0.6
304.07422	0.7
305.04459	0.7
305.08005	5.2
306.05463	0.6
306.08817	14.1
307.05984	5.0
307.09521	2.0
308.06558	0.6
309.07596	0.6
309.11142	5.4
310.11548	0.4
311.09030	0.8
318.05334	0.3
318.08865	0.7
319.05899	1.4
319.09409	0.6
320.06802	1.2
321.07581	4.9
322.08325	5.7
323.05621	0.3
323.08984	0.9
325.10736	0.9
331.05923	0.3
333.07446	0.7
334.08350	1.5
335.05426	1.4
335.09183	3.5
336.09851	6.5
337.07022	0.7
337.10654	8.4
338.11154	0.6
347.05640	0.5
348.06329	0.6
349.07040	1.9
349.10791	0.5
350.07629	1.7
351.08572	1.1
352.09445	2.6
353.10211	4.6
354.10358	0.4
361.07047	0.8
362.07693	1.6
363.08682	2.4
367.11722	6.8
376.09348	0.6
378.07373	0.9
379.08212	1.3
381.09683	4.1
393.09601	2.0
410.22333	0.7
411.10709	77.2
412.11035	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1439
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
63.67921	0.2
64.31727	0.2
70.32513	0.4
70.40537	0.2
75.04467	0.4
137.02280	0.3
143.05582	0.2
147.97026	0.2
164.98686	0.2
165.05487	0.3
178.07800	0.3
191.08510	0.2
199.07512	0.4
200.08315	1.2
203.08598	0.3
205.06451	0.4
206.07332	0.6
207.07880	0.4
208.08864	0.4
210.86653	0.2
213.09406	0.2
216.07809	0.3
217.06590	0.2
218.07263	1.0
219.08028	1.6
220.08775	0.4
221.06001	0.3
221.09645	0.6
226.10965	0.3
230.09464	0.4
231.08130	1.1
232.08841	0.6
233.06003	0.5
233.09608	0.9
234.06647	1.5
234.10400	0.4
235.07500	1.4
236.08348	0.7
237.09094	0.3
238.09982	0.4
244.08894	0.3
246.06801	0.8
247.07449	2.1
248.08434	1.6
249.05489	0.5
249.09006	2.0
250.06213	0.5
250.09966	1.2
251.06914	0.5
251.10739	0.5
252.07835	0.4
259.07587	0.7
260.08490	1.2
261.05582	0.7
261.09134	2.5
262.06351	1.1
262.09906	2.9
263.07053	2.5
263.10184	1.2
264.07755	0.9
265.08673	1.0
265.12323	0.6
266.09448	0.7
273.09152	0.4
274.06540	0.4
274.09943	0.7
275.07043	2.5
275.10675	1.0
276.07825	3.5
276.11084	0.4
277.05328	0.4
277.08578	4.9
277.11749	0.3
278.06134	0.5
278.09363	5.8
279.06570	1.0
279.10132	2.5
280.07138	0.6
280.10547	0.5
281.08374	0.3
281.11792	1.0
283.09595	0.3
288.07806	0.9
289.05017	0.7
289.08606	2.2
290.05859	0.5
290.09375	2.3
291.06558	1.6
291.10156	4.5
292.07327	1.6
292.10925	2.4
293.08090	5.6
293.11728	2.9
294.08823	3.7
294.12015	0.3
295.09695	0.9
301.08493	0.2
303.06519	1.3
303.10126	1.1
304.07318	3.5
304.10901	1.4
305.04605	0.3
305.08078	3.6
305.11746	4.2
306.05368	0.4
306.08804	4.7
306.12122	0.4
307.06076	0.6
307.09634	3.2
307.13104	0.3
308.06747	0.6
308.10394	1.4
308.13806	0.4
309.07904	0.5
309.11215	2.4
310.08499	0.2
310.11826	0.3
317.04718	0.3
317.07861	1.0
318.05347	0.3
318.08817	0.7
319.06027	0.5
319.09601	4.6
319.13150	0.4
320.06827	0.8
320.10406	2.4
321.07568	7.2
321.11267	10.0
322.08316	2.8
322.11829	0.9
323.09067	1.5
323.12863	0.7
324.10095	0.3
324.13614	1.0
325.10568	0.4
325.14066	0.3
330.08972	0.2
331.09653	0.6
332.06924	1.3
332.10294	0.4
333.07437	1.1
333.11163	0.5
334.08258	0.6
334.11987	0.4
335.05304	0.4
335.09103	4.5
335.12857	3.7
336.09912	1.4
336.13519	16.4
337.07199	0.3
337.10617	6.6
337.14185	1.1
338.07651	0.4
338.11060	0.6
340.13049	0.5
344.10400	0.4
347.09134	8.5
348.09750	1.5
349.06992	1.0
349.10556	1.1
349.14236	0.2
350.07541	0.5
350.11487	2.4
351.08578	0.6
351.12238	3.4
352.09412	0.4
352.13016	9.2
353.09949	2.4
353.13489	0.5
355.15140	0.6
361.10745	0.5
362.11469	13.5
363.08060	1.1
363.12064	1.0
364.09235	1.0
365.05927	0.4
365.10184	2.3
365.13937	0.4
366.10983	0.4
366.14673	1.8
367.11664	0.4
367.15390	8.4
368.15826	0.5
378.11057	1.3
379.07803	3.0
379.12405	1.5
380.08359	0.4
380.12601	4.2
381.09021	1.4
381.13251	0.8
393.13303	1.0
393.24771	0.7
396.12067	4.1
397.12195	0.4
410.25705	0.7
411.14380	100.0
412.14743	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54839	5.1
75.04478	5.7
77.15926	1.1
77.57707	1.2
80.05960	1.2
91.07877	1.2
98.23415	1.9
100.83566	1.3
108.61882	1.2
118.88777	1.2
119.13840	1.4
127.22185	1.1
197.67703	1.3
203.08299	1.4
219.08250	1.6
231.08012	3.1
234.06812	3.7
235.07458	2.9
247.07536	5.6
248.08319	4.6
249.09059	2.2
259.07532	1.4
260.08325	2.8
261.09055	7.6
262.06516	1.6
262.09836	3.6
263.07053	4.5
263.10522	1.5
265.08368	1.4
274.10031	1.6
275.07053	5.4
275.10571	2.3
276.07803	10.2
277.08551	27.8
278.09241	10.1
289.05560	1.5
289.08582	5.9
290.09308	8.1
291.06555	5.4
291.10159	18.0
292.07309	2.5
292.10907	4.8
293.08221	2.1
293.11383	2.3
294.08777	2.1
303.06793	3.2
303.10187	4.6
304.07278	4.3
305.08078	9.8
305.11716	18.5
306.05569	1.3
306.08884	5.2
306.12103	2.0
307.09512	6.4
308.10339	5.3
309.11279	4.0
319.09647	22.8
320.10440	25.7
321.11179	52.8
322.08368	3.3
322.11722	6.7
324.09680	1.6
332.06851	4.0
333.07336	1.9
334.11893	3.3
335.09177	6.1
335.12729	100.0
336.13467	57.2
337.10620	19.6
337.13977	2.5
338.11047	1.6
347.09119	72.8
348.09543	5.9
350.11505	4.5
351.12274	13.6
352.13040	31.2
353.13345	2.3
362.11496	2.1
365.10025	7.7
366.14597	8.1
367.15387	19.5
368.15628	1.7
378.11328	6.2
379.11740	24.8
380.12500	57.8
381.12976	2.2
393.08627	2.4
393.13306	27.2
394.13614	2.0
396.12051	2.5
410.25925	7.0
410.71191	1.4
411.14896	16.2
411.26669	7.5
412.26776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70504	0.3
70.70834	0.4
73.95910	0.2
78.24821	0.3
84.67924	0.3
115.76093	0.2
155.22258	0.2
196.54248	0.3
200.29292	0.3
203.05156	0.3
210.35405	0.3
227.06361	0.3
249.10992	1.2
251.23055	0.3
267.10800	0.6
267.85571	0.3
311.97211	0.3
380.11905	0.3
411.16211	100.0
412.16605	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80225	0.6
67.05485	0.9
69.40896	1.9
70.06571	2.0
70.56789	0.6
72.05283	0.6
81.07014	0.7
85.02884	0.7
86.09708	0.6
91.05476	0.8
91.11099	0.6
95.06054	2.1
95.08575	0.9
100.11241	1.5
105.07008	0.7
106.65485	0.6
107.27666	0.6
113.07145	0.8
120.04490	4.2
129.09924	0.6
131.08539	0.9
137.05957	2.5
138.06284	1.1
149.00467	0.7
163.03914	1.0
201.03696	9.8
203.05258	39.3
231.09943	6.5
233.11412	2.7
249.09578	1.2
267.10608	1.0
291.10651	1.8
308.20181	0.8
309.11703	2.0
325.03610	0.7
351.12955	0.7
367.27530	1.8
411.16010	100.0
412.16409	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57103	0.6
55.05508	0.9
67.05471	0.6
69.03423	0.7
79.05492	0.8
81.07048	0.9
86.06077	0.9
87.04474	0.7
93.07029	1.5
95.08586	0.8
98.06045	2.0
105.07034	0.6
113.46990	0.6
119.08602	0.7
127.03976	0.7
139.75706	0.6
147.11673	0.8
152.97127	0.7
181.08069	0.6
233.11201	0.7
263.16183	12.7
288.18051	2.7
307.15155	25.9
308.15424	1.8
323.09265	0.8
325.16241	4.4
367.17261	18.2
368.17474	0.9
411.16180	100.0
412.16525	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Flumethasone
Peak:m/z	Relative Intensity
50.12186	0.4
52.13522	0.4
55.05492	0.6
63.68230	0.4
67.05501	0.7
70.06582	0.7
71.05016	0.5
72.36310	0.4
81.03382	0.6
81.07082	0.7
82.06565	0.5
93.14337	0.5
95.06088	2.0
105.06941	0.6
110.08408	1.6
110.09083	0.5
112.48859	0.4
113.07130	1.2
123.09192	3.2
124.09505	1.3
127.03924	0.5
134.41646	0.5
137.05957	0.4
137.07086	0.7
139.08661	0.5
140.11882	0.7
147.00575	0.5
152.05598	0.5
169.70296	0.5
184.10762	0.7
191.08125	0.9
215.08171	4.9
308.20459	0.6
367.27780	1.6
376.72009	0.5
411.19830	100.0
412.19983	7.1
412.24127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76878	0.4
55.00305	0.3
57.03441	0.7
66.86127	0.3
67.03131	0.3
67.05511	0.5
69.03423	0.9
69.07064	1.0
69.72968	0.6
69.73333	0.7
73.02916	2.3
80.53759	0.4
81.03428	0.5
81.07025	0.4
83.08611	0.6
85.02891	3.0
86.20469	0.3
88.49063	0.3
91.05461	0.8
93.96213	0.3
94.93163	0.3
95.06104	0.9
97.02889	1.5
100.11235	0.8
103.66325	0.3
104.10707	0.5
109.02871	0.8
109.07626	0.4
110.08421	0.4
111.04468	0.4
111.11714	0.5
123.09195	0.4
127.03928	1.4
127.76229	0.3
129.12772	0.6
131.18013	0.3
133.04982	0.8
137.05969	0.4
137.07034	0.5
140.10707	0.9
141.09103	0.4
145.04974	1.6
163.06087	0.9
168.10197	0.6
184.07362	0.4
203.05296	0.6
210.14940	1.0
215.08163	0.5
232.48936	0.4
308.20255	0.5
325.03693	1.0
337.20926	0.5
367.27759	0.8
394.26929	0.7
411.19873	100.0
412.20111	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53640	0.6
55.05513	0.8
57.07066	0.8
62.98251	3.4
67.05486	0.8
69.07076	0.9
69.20077	2.0
69.20486	1.7
77.86818	0.6
79.05479	1.1
81.07062	1.2
85.10178	0.7
91.05476	0.7
93.07041	1.0
95.08610	1.0
97.20718	0.7
109.10107	0.8
113.00013	3.7
121.10105	0.6
123.55410	0.6
131.98709	0.7
154.88766	0.7
169.02589	2.7
216.51616	0.6
222.79913	0.6
238.60153	0.7
299.25790	1.3
389.25250	1.6
393.23724	100.0
394.24036	6.4
411.24759	14.2
411.29617	1.1
434.26428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
53.22526	1.7
55.05510	23.8
56.79220	1.8
56.84958	1.7
57.03432	5.1
57.07075	7.0
59.06116	4.7
60.05647	11.2
60.60480	1.6
67.05499	32.2
69.07072	23.5
69.75578	5.2
69.75931	3.1
71.04993	3.9
71.08631	5.3
79.05489	22.7
80.23301	1.7
81.07053	87.1
82.07394	2.3
83.04978	4.7
83.08610	17.3
85.06547	5.7
91.05470	27.3
91.05979	2.2
93.07035	28.8
95.04980	6.5
95.08601	95.1
96.08958	3.6
97.06536	14.2
97.10181	6.3
97.82497	1.9
99.08099	7.7
105.07021	63.5
106.07343	11.2
107.08572	16.8
108.08981	1.9
109.06516	6.1
109.10132	10.0
111.08059	4.1
113.00005	11.3
113.09628	4.5
117.07032	3.7
119.08571	50.6
121.10143	14.4
122.09657	17.1
123.08069	6.7
123.10021	5.0
123.11703	2.9
131.08556	3.7
133.10115	33.4
135.11678	18.1
137.09584	3.8
137.13242	15.8
141.09103	3.1
145.10138	3.7
147.11717	1.9
149.13213	2.7
151.14796	1.8
157.10120	1.8
159.11678	3.0
161.13255	100.0
162.13634	5.6
165.12784	7.8
166.13095	5.5
169.02625	12.6
171.11694	2.6
179.14290	72.9
180.14682	2.1
189.16307	1.7
197.15324	10.0
299.25748	8.4
308.07059	1.8
312.22995	2.0
313.23624	3.8
357.27917	8.7
375.28879	5.2
411.31351	9.6
411.35922	2.6
421.49551	2.3
435.21765	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3262
Annotation	3beta-Hydroxy-(22E,24R)-ergosta-5,8,22-trien-7-one
Peak:m/z	Relative Intensity
55.05515	3.7
57.07077	6.3
57.92123	1.5
58.22011	1.6
60.41002	1.7
67.05512	4.9
69.07069	35.6
69.96616	5.1
71.08648	1.5
72.76278	1.8
79.05513	2.8
81.07053	8.7
83.08631	8.6
91.05486	3.4
93.07059	4.8
95.08612	6.5
98.23506	1.9
105.07063	5.1
107.08598	4.6
109.10172	3.0
117.07049	4.3
119.08592	2.1
121.06561	2.9
121.10162	4.1
123.11683	2.0
125.13278	2.8
130.07809	2.5
135.08107	2.3
137.13281	1.6
143.08598	2.7
145.06540	4.3
145.10118	13.7
147.08093	6.6
147.11664	2.5
149.09674	3.4
155.08559	3.5
158.07269	8.6
161.09641	4.4
173.09634	100.0
174.10007	3.5
175.11162	19.5
175.12410	1.8
187.11197	4.5
189.12817	2.8
191.10663	74.5
192.11163	1.9
201.12773	3.6
213.12741	8.7
215.14381	7.2
227.14391	2.8
231.13882	2.2
269.19174	1.8
323.23593	2.9
393.31442	28.0
394.31903	2.5
411.32578	58.3
412.32806	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56382	0.6
67.05470	1.2
69.25964	1.8
69.26369	2.5
77.72639	0.7
83.70052	0.7
97.28859	0.7
101.75112	0.8
119.08502	1.1
137.02347	7.7
138.12779	0.8
175.35960	0.7
176.06252	0.8
191.08531	0.9
205.06398	1.4
206.07281	0.8
207.07993	1.0
220.08899	1.0
221.09613	0.8
233.06056	1.1
234.06842	0.9
235.07567	2.8
236.08250	2.0
246.06917	0.9
247.07587	3.5
248.08298	2.7
249.05421	0.9
249.09111	3.6
251.10706	2.2
263.07037	6.9
264.07816	5.7
265.08527	1.5
275.07083	5.3
276.07831	1.7
277.08560	1.0
279.07040	1.1
279.10135	20.3
280.10565	1.5
291.06506	3.0
292.07217	1.8
293.08109	1.6
295.09619	1.9
305.08121	2.1
306.08862	4.1
307.09637	25.0
308.09967	1.3
319.06226	1.7
319.09686	2.7
320.06818	3.5
322.08261	1.1
323.09113	8.2
337.10678	22.5
338.11209	2.0
342.88687	0.8
351.08691	2.1
381.09695	100.0
382.10083	9.1
412.19162	1.4
413.28122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90409	0.9
56.88990	0.9
61.36395	1.0
69.81448	2.7
74.44208	1.0
137.02322	1.7
144.35501	1.0
184.16982	2.2
193.09996	1.1
205.06573	1.3
206.07259	1.8
221.06166	1.1
232.14687	1.0
233.06041	1.8
234.06705	5.1
235.07487	1.4
249.09134	2.6
262.06204	3.0
263.06918	2.9
277.08600	10.5
278.09457	2.0
278.88977	1.1
279.10202	2.9
290.05759	1.1
291.06494	2.8
292.07211	1.3
305.04831	1.1
305.08090	13.7
307.09521	4.9
309.11160	1.8
310.92929	1.0
319.06030	3.4
323.09061	2.7
333.07571	16.5
333.52344	1.1
334.07803	1.3
335.09229	3.4
336.09628	1.0
337.10663	8.2
351.08661	10.7
363.04965	1.3
363.08731	12.4
364.09271	1.3
381.09677	100.0
382.09964	8.4
412.11127	2.3
412.35294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85189	1.0
53.03935	1.6
55.01866	2.7
55.05505	4.4
57.03436	27.8
59.05000	4.7
60.04512	1.6
60.08159	1.4
60.13242	0.9
60.35505	0.9
61.02921	8.6
67.05484	1.7
69.03429	70.2
69.07066	9.0
70.06595	1.8
70.96500	1.6
71.01368	2.1
71.04994	4.7
73.02917	23.6
75.06801	1.0
79.05480	2.0
81.03420	7.3
81.07049	2.4
82.28629	1.1
83.04979	1.3
83.08624	4.6
85.02903	100.0
85.83469	1.0
86.03257	1.7
86.09705	2.1
87.00832	5.5
87.04465	42.5
87.10111	1.0
91.03948	2.6
91.05512	1.1
93.07051	1.6
95.08615	1.7
97.02892	71.3
98.03220	1.5
99.04472	4.3
99.08095	1.0
103.03944	2.0
104.10754	6.3
105.01875	4.2
105.07025	1.1
107.08577	1.3
109.02872	7.8
110.08410	1.4
111.04399	1.3
111.08086	2.8
111.11733	2.4
113.09621	1.6
115.03928	75.8
116.04214	1.1
120.71054	0.9
123.08123	1.5
123.09179	1.5
127.03914	25.8
128.04269	1.5
129.09163	1.3
129.12755	5.6
133.04964	71.8
134.05310	1.2
135.08069	1.7
139.07547	2.4
141.09137	2.3
145.04958	35.3
149.92371	1.0
150.07588	7.8
151.07524	1.2
152.05699	3.6
154.08844	1.0
155.10670	1.4
161.09938	3.7
163.06021	14.8
167.10727	4.0
169.04994	1.5
179.10728	2.0
182.56384	1.0
184.07320	5.0
187.06061	1.5
197.11690	1.5
209.11893	1.2
217.72798	1.0
223.05969	1.7
227.12810	2.1
231.05061	2.2
233.12067	2.4
238.13475	1.1
241.07111	2.7
245.13774	2.8
250.14677	1.9
254.44395	1.1
259.08124	5.2
263.14932	3.4
277.09149	3.0
295.10178	2.9
412.19958	3.2
412.24277	4.2
413.21906	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.05027	1.2
59.35963	0.5
64.99379	0.5
66.26205	0.5
67.04234	1.0
68.05012	1.6
70.06588	5.5
70.28762	1.3
72.95220	0.4
75.81731	0.5
82.06576	2.1
84.04522	0.9
95.06100	2.5
96.06902	1.0
97.07645	3.4
98.22798	0.6
99.09197	0.7
109.07638	13.6
110.08421	65.0
111.09207	28.4
119.08572	0.7
120.04466	1.0
121.07632	0.7
123.09187	55.6
124.08738	5.4
124.09512	1.2
130.05017	1.2
137.07133	1.0
138.09160	1.1
138.10258	26.3
139.08659	7.7
139.11066	4.3
140.11821	28.2
141.12115	0.8
151.11098	0.8
152.11909	0.7
155.08223	0.7
167.08150	7.4
167.11818	2.1
175.14886	0.7
184.10805	56.5
185.11177	1.7
201.69609	0.5
206.05219	0.5
215.12689	0.6
253.87631	0.7
272.75735	0.5
306.21603	1.0
324.22797	25.5
325.23004	1.2
350.24258	1.6
368.25424	16.2
369.25528	1.3
394.23367	21.5
395.23834	1.3
412.24402	100.0
413.24710	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
60.47495	0.4
67.05493	1.3
69.03421	1.1
69.07063	1.0
69.15035	2.0
69.80795	0.4
70.68578	0.4
79.05492	1.7
81.03410	1.4
81.07053	1.7
83.04982	0.9
83.08620	0.6
84.04504	0.4
86.06052	1.3
87.04453	1.3
91.05468	0.8
93.07015	1.0
95.04976	0.6
95.08598	0.9
97.06525	1.1
98.06043	0.7
98.23619	0.7
104.07107	1.0
105.07036	1.7
107.04952	0.5
107.08590	0.6
111.04504	0.4
119.08566	0.7
125.06005	1.0
131.08572	0.7
137.06000	0.6
143.07053	0.5
143.08495	0.4
145.10089	1.9
149.09633	1.1
151.07573	1.1
163.11250	0.5
165.05461	0.6
173.09608	0.7
177.09180	0.6
187.03690	1.0
187.11180	1.1
191.10654	1.4
202.06006	10.3
203.06720	0.8
205.12257	1.1
213.04297	0.4
215.10722	0.6
219.28380	0.4
233.11713	0.8
251.12823	0.4
265.08655	0.5
291.19623	1.1
293.08005	0.6
307.06152	0.5
337.07053	2.1
351.08713	0.6
354.72711	0.4
367.08020	1.4
394.25751	0.4
395.07629	3.0
412.26877	2.9
413.15677	100.0
414.16013	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.161
Annotation	Viscosol
Peak:m/z	Relative Intensity
50.29524	0.4
56.96556	0.8
61.36545	0.4
69.11976	1.8
69.12379	0.8
74.30852	0.4
76.21832	0.5
79.05470	0.4
81.07051	1.0
98.22614	0.9
176.81778	0.4
185.04883	0.9
199.06462	0.8
210.99016	0.5
217.07434	0.7
237.04248	0.6
248.09492	0.4
252.56700	0.4
277.58762	0.4
280.09933	0.4
324.76385	0.4
331.15771	3.9
333.19125	2.2
335.37799	0.4
344.09271	0.4
349.16803	12.1
350.17529	0.5
353.14352	0.5
372.18610	1.0
413.16074	100.0
414.16443	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
60.12189	0.3
67.05511	0.4
69.03436	0.4
70.06577	1.1
72.08170	0.6
72.77393	0.3
79.05465	0.6
81.03400	0.5
81.07049	0.6
85.02874	0.5
86.09689	0.9
91.05466	0.7
95.06068	0.6
95.08583	0.7
96.06873	1.6
97.07661	0.8
105.07008	0.6
109.07640	1.9
110.07195	0.3
114.54456	0.4
120.08057	0.4
123.09161	0.4
125.07081	0.4
126.10260	1.1
142.01746	0.5
147.04425	1.2
167.02029	0.3
170.09209	1.8
171.14937	0.4
203.05261	0.9
204.02083	0.4
238.06480	0.4
251.12509	1.2
266.80435	0.3
267.09344	0.4
269.12326	0.9
285.10046	0.6
293.12463	0.7
311.13480	0.9
315.23297	0.3
338.24728	0.4
362.14539	0.4
369.15100	0.7
382.23392	4.2
413.17786	100.0
414.17969	6.2
414.26410	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93625	0.2
53.00990	0.2
56.05022	0.4
56.96556	0.5
67.05524	0.6
69.03408	0.6
69.07049	0.5
69.16894	0.5
69.17316	0.9
70.06587	0.6
71.04988	0.2
72.08138	0.3
74.39749	0.3
76.98792	0.3
79.05487	0.6
81.03400	0.3
81.07053	0.8
83.04977	0.5
84.04507	2.8
84.96025	0.4
85.02898	0.7
86.09702	1.1
91.05467	0.6
93.05778	1.6
93.07050	0.7
95.04982	0.4
96.04457	0.2
97.02855	0.3
97.06522	0.5
98.97571	0.9
103.04736	0.2
105.07021	0.6
106.06582	0.3
107.04951	0.4
107.08579	0.6
108.08101	0.3
109.06525	0.5
109.10128	0.3
114.05540	0.3
116.07073	0.3
116.98627	0.7
119.08614	0.5
121.06509	0.3
121.10099	0.3
125.05985	0.5
125.07047	0.4
127.03896	0.4
128.06197	0.5
129.06963	0.3
130.04988	0.5
131.00203	0.3
135.11790	0.2
136.07571	100.0
137.07930	3.1
141.06970	0.3
145.10141	0.7
148.07565	0.4
149.09610	0.3
155.08496	0.3
156.05708	0.6
160.07571	0.5
171.07671	0.9
175.07512	0.4
177.00691	0.3
184.05185	2.4
189.09026	0.3
199.07538	16.3
201.10179	1.6
217.08569	2.6
219.01683	0.3
232.08447	0.3
233.11711	0.4
237.02649	0.3
247.10759	3.1
265.11841	7.4
266.12399	0.3
371.13782	0.7
413.12091	1.9
413.17740	3.1
413.21796	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1932
Annotation	Bisindolylmaleimide I
Peak:m/z	Relative Intensity
55.81658	0.4
69.97430	0.6
69.97756	0.4
98.22760	0.4
107.34634	0.3
127.96262	0.4
129.68268	0.4
135.33391	0.4
165.89584	0.4
257.10840	0.4
337.09595	0.6
365.09274	1.0
383.10321	0.7
398.33493	0.4
398.62888	0.4
413.19312	100.0
414.19678	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27152	3.0
55.05519	48.9
57.03443	6.1
61.21550	3.2
69.03432	9.2
70.06600	36.2
70.50044	3.8
71.01401	3.3
72.08167	6.6
73.02927	11.3
75.87508	3.1
83.08626	100.0
84.08155	3.9
84.08984	4.3
85.02905	20.6
86.09729	10.8
89.92841	3.0
97.02913	9.4
98.97559	4.0
101.09669	84.8
101.10316	7.1
109.07682	7.3
110.08472	20.6
111.09290	5.1
112.09563	3.1
115.03946	7.9
116.07063	4.7
119.10720	35.0
120.06548	7.8
123.09221	13.1
124.09557	8.3
127.03938	10.4
136.06197	74.8
138.10294	12.8
140.11826	9.2
158.89661	3.5
162.04115	50.5
167.08061	3.9
186.18546	10.5
189.62253	3.4
199.10799	4.1
251.29770	3.1
281.09976	43.0
325.23074	7.9
369.25793	5.2
385.52429	3.8
388.81757	3.7
413.13770	11.2
413.18753	8.8
413.24789	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01863	1.8
57.03182	1.8
57.03438	26.9
59.04994	2.1
61.02926	12.5
69.03426	41.4
70.03766	1.4
70.06582	2.3
71.01351	2.5
71.04992	2.7
73.02917	53.3
78.92397	1.1
79.05473	1.6
81.03440	5.5
81.07019	2.0
83.04960	1.3
85.02902	100.0
86.09672	2.1
87.04468	14.7
91.03966	5.9
91.05440	1.4
93.07040	1.7
95.04970	2.0
95.08624	1.2
97.02891	55.8
97.06523	1.7
99.04428	4.6
105.07088	1.5
109.02890	10.2
112.68098	1.2
115.03929	45.9
119.08604	1.5
127.03911	30.4
129.49731	1.2
133.04959	31.3
142.12318	1.3
143.08539	2.2
145.04955	60.1
150.07593	5.4
157.10100	1.9
160.11169	2.0
163.06017	32.7
164.10770	1.7
186.48412	1.4
219.10147	1.9
220.09689	4.1
223.03928	1.1
223.05969	2.8
241.07037	5.6
251.30522	1.1
259.08096	4.6
265.16348	3.3
289.42572	1.2
295.10239	3.6
414.12573	2.1
414.17719	6.1
414.22318	1.7
415.14731	4.5
415.19675	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.7
57.07077	10.5
67.05503	13.4
69.07057	20.2
69.29200	24.2
71.08629	8.4
75.03596	5.9
80.93404	4.5
81.07051	16.7
83.08608	23.0
91.05500	6.9
93.07059	25.9
95.08599	13.9
97.10187	11.8
104.07098	28.7
107.08581	19.1
109.10148	8.3
119.08580	100.0
135.08055	5.0
135.11670	5.1
149.13297	29.5
159.11639	4.8
167.14380	13.8
171.13846	30.0
201.11526	5.7
225.18512	6.0
245.17525	46.4
267.19659	7.6
269.62799	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.9
55.37227	3.1
67.05505	28.8
68.28179	3.2
69.07060	35.7
69.35854	5.9
69.36269	10.0
73.41988	3.0
79.05518	6.0
81.07052	29.2
83.04970	3.2
83.08612	8.0
91.05499	8.4
92.53971	3.0
93.07052	9.7
95.08605	31.4
97.06539	6.1
107.08621	7.1
109.10154	15.1
111.11749	4.7
113.16238	3.1
119.08581	100.0
119.12014	3.1
121.10135	9.3
123.11668	5.6
130.50049	3.2
132.39653	3.2
133.10114	11.6
134.23184	3.5
135.11649	8.0
149.13255	3.7
151.11220	6.4
159.11638	3.7
190.66986	3.4
215.17874	6.3
233.19098	8.7
251.20053	32.5
361.30807	4.8
414.18829	4.6
415.19498	3.9
436.88120	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1021
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
55.01871	1.1
57.03430	1.1
68.99809	1.2
69.03436	1.3
69.07060	1.1
70.96155	1.4
79.05481	0.9
81.07036	0.8
83.04963	0.9
85.02889	1.1
91.05479	1.9
95.04941	0.8
95.08598	0.9
97.06522	0.9
98.97562	0.8
107.04998	1.0
107.08619	0.8
117.84104	0.7
119.04929	3.6
119.08583	0.8
121.02847	8.5
127.03901	1.0
141.01881	1.9
145.02831	2.4
145.10138	1.1
159.11868	0.9
161.02347	1.3
163.03882	3.4
165.01822	21.8
166.90553	0.7
167.03357	1.5
179.03288	3.8
181.04893	1.1
183.02873	5.4
187.03908	1.8
189.01831	1.9
191.03474	1.3
195.06502	1.1
207.02747	1.0
213.98570	0.9
255.06354	1.4
267.06522	4.0
270.05212	1.7
271.06015	15.5
274.97345	0.9
279.06577	5.8
281.08084	11.8
283.05978	100.0
284.06525	9.8
294.05099	1.9
295.06003	17.7
295.09482	2.0
296.06137	1.0
297.04181	1.0
297.07495	15.3
298.07971	0.8
305.08142	2.5
307.06015	13.6
308.06760	4.0
309.04126	1.6
309.07495	23.5
311.05460	6.5
311.09119	2.6
312.06406	1.2
313.07016	19.6
314.07269	1.3
323.05414	6.7
323.09128	17.1
324.09528	1.9
325.07016	3.2
333.07526	6.4
335.05615	3.9
335.09058	1.5
336.06137	1.2
337.07056	8.8
351.08597	25.1
351.12869	1.3
352.08951	2.2
353.06500	7.1
361.07056	3.6
369.09668	4.9
379.08090	43.3
380.08386	2.3
397.09174	46.9
398.09439	3.4
415.10092	9.6
415.19122	1.1
416.10477	0.9
416.20535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1025
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.17471	0.4
67.05453	1.0
69.30435	2.5
72.04433	0.4
74.88577	0.4
79.05435	0.9
81.07001	0.6
93.06987	1.1
97.02760	0.5
97.06459	1.0
99.15660	0.4
107.08495	0.7
109.07367	0.5
109.10080	0.6
117.86670	0.5
119.08535	0.8
121.10098	0.6
131.08424	0.6
136.31480	0.5
141.06938	0.5
152.06268	0.6
154.07765	0.5
157.10098	0.5
164.06136	0.9
165.06964	2.5
166.07643	1.6
167.08406	0.6
170.07082	0.5
175.72366	0.4
176.06050	1.1
177.06955	2.8
178.07684	1.8
179.04886	0.5
179.08556	2.8
181.06450	3.6
182.07126	1.0
183.07936	0.5
192.05670	3.9
193.06456	3.4
194.07268	8.6
195.07892	2.0
196.05132	0.5
203.05064	0.5
204.05699	6.6
205.06485	5.6
206.06995	1.0
207.04366	1.1
207.08043	1.1
208.05128	0.9
208.08626	0.9
209.05957	3.4
209.09622	2.9
209.80821	0.5
210.06764	2.4
211.07426	0.7
213.09196	0.6
219.04398	1.0
220.05214	3.9
221.03854	0.9
221.05959	13.6
222.06729	10.7
223.07303	1.8
224.08176	0.7
225.05351	0.8
225.09123	3.1
227.10555	1.2
229.21935	0.5
232.05205	4.3
233.05841	1.2
234.06735	3.9
235.03906	2.3
235.07442	1.6
236.04604	1.8
236.08217	1.6
237.05440	26.3
237.08951	5.7
238.06035	4.1
238.09567	0.5
239.06995	1.2
239.10466	0.6
247.03799	0.8
248.04697	2.3
249.05470	11.8
250.06224	17.3
251.03401	1.1
251.06900	3.4
252.04094	0.5
252.07542	0.7
253.04839	1.6
253.08545	4.6
254.05627	0.7
255.10146	1.5
257.08041	1.1
260.04587	1.0
263.03275	1.7
263.07040	1.4
264.04144	0.6
264.07715	1.6
265.04892	14.4
265.08514	8.5
266.05673	5.7
267.06491	2.0
269.07965	2.3
271.09595	0.9
276.04065	3.8
277.04977	5.7
277.10513	0.4
278.02750	1.0
278.05716	16.1
279.06424	2.2
280.03568	0.5
280.07202	1.8
281.08069	34.8
282.05319	1.0
282.08319	1.7
283.06024	0.8
283.09512	1.1
292.03568	1.3
293.04388	43.9
293.08002	22.2
294.04971	6.2
294.08356	1.7
295.05887	2.0
299.09186	0.7
305.04297	1.1
306.05219	1.8
307.06009	1.0
308.03049	1.1
308.06464	1.2
309.07544	22.5
310.07883	1.5
321.04282	4.4
321.07532	97.3
322.04547	3.0
322.07864	7.0
327.08597	1.8
337.07034	83.6
338.07370	5.5
355.08057	7.6
365.06537	100.0
366.06876	7.9
383.11237	0.6
397.09143	15.4
398.09659	0.8
415.10846	0.7
415.19199	6.5
416.20425	1.5
418.39862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	19.8
67.05497	10.9
69.07071	8.9
69.13485	26.2
70.06580	5.9
79.05482	7.4
81.07029	5.5
84.08080	4.5
84.96029	13.4
86.06056	6.3
87.04466	5.5
93.07085	6.3
97.06557	5.2
98.06046	7.5
98.97576	83.6
104.07069	4.5
107.08589	6.8
110.97557	23.2
116.98633	24.8
119.08643	6.4
128.98599	15.3
131.00174	6.1
133.10149	12.2
134.99654	5.5
140.98557	4.3
143.00163	8.7
145.10152	6.4
152.98500	9.4
157.10133	8.2
158.99670	19.4
167.07074	6.5
170.99480	5.5
177.00732	17.6
214.14322	4.9
217.06844	5.2
219.01753	24.1
237.02748	22.3
267.06284	5.3
273.11124	10.1
274.56027	4.2
274.97382	7.4
310.17929	6.2
329.12488	24.9
347.13754	100.0
370.15393	7.4
371.13596	7.1
389.14844	13.7
397.16571	9.2
414.28763	10.5
415.13470	74.3
415.22061	19.3
416.20367	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59593	0.2
69.03403	0.3
69.07043	0.2
69.36118	0.8
70.02951	0.3
70.06593	0.8
71.54076	0.2
72.04535	0.2
72.08144	0.4
74.02441	2.0
79.05470	0.3
80.30138	0.2
81.07039	0.3
82.02912	0.2
85.02912	0.2
86.09696	0.8
88.03951	0.2
89.06026	0.6
91.05470	0.7
93.05770	1.3
95.04957	0.3
95.06089	0.2
96.06879	0.3
97.02872	0.2
100.03983	0.2
104.04997	0.3
106.06574	0.2
107.04948	0.2
109.06528	0.4
109.07624	0.2
109.10133	0.2
116.98587	0.2
117.07001	0.2
118.05062	0.3
119.08564	0.3
121.05232	0.4
121.06486	0.9
130.05026	0.2
133.08591	0.4
136.07570	100.0
137.07919	2.6
138.09181	0.3
139.07529	0.4
143.43327	0.2
145.06493	0.3
146.04471	0.4
146.05980	0.3
147.06828	0.3
148.07549	0.3
149.07164	0.2
157.73535	0.2
162.05487	0.3
162.09140	0.6
164.07054	1.7
167.07002	0.3
170.09171	0.3
172.07561	0.3
181.04938	0.3
186.07985	0.2
187.10826	0.3
189.10220	0.7
190.08669	0.6
192.06538	1.0
197.09268	0.4
199.08678	1.0
200.07043	0.6
200.08986	0.2
201.10216	0.3
217.09697	1.3
233.08076	0.4
235.10742	0.5
245.09225	0.3
263.10269	6.2
264.08533	1.1
265.08896	0.2
274.97485	0.2
281.08191	0.3
281.11301	5.5
282.11572	0.3
343.52289	0.2
383.23724	0.7
415.13724	2.3
415.19513	0.4
415.26306	0.4
416.20517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02184	0.3
51.02400	0.8
53.03949	0.4
55.01868	0.4
55.76223	0.1
60.61126	0.2
63.02362	0.2
65.03947	0.6
67.05494	0.5
69.03419	0.3
71.18694	0.3
73.06190	0.1
77.03910	2.0
78.04699	1.3
79.05489	6.1
81.03414	0.2
81.07053	0.6
86.54946	0.2
91.05475	3.9
93.07034	0.7
94.04152	0.4
95.04965	2.8
95.08618	0.3
98.10107	0.2
103.05463	11.0
104.05741	0.2
105.03399	1.8
105.04509	1.3
105.07025	3.9
106.04175	0.7
107.04947	6.3
107.05676	0.3
108.05731	0.5
109.06520	1.1
112.87037	0.2
115.05450	4.0
117.06989	1.5
119.04932	1.6
119.08614	0.3
120.05721	0.2
121.06498	2.4
122.03651	0.7
123.04425	2.7
123.08055	1.4
124.05213	1.5
125.06005	0.3
127.05439	0.2
128.06215	1.4
129.06999	2.1
131.04924	18.3
131.08560	0.9
132.05336	0.3
133.06493	6.1
133.07506	0.4
134.03603	0.3
135.04407	100.0
135.07970	2.8
136.04697	2.9
137.05968	7.9
137.45776	0.2
138.06352	0.2
139.07527	0.2
141.07005	1.3
143.03850	0.2
143.04924	3.5
143.06013	0.3
143.08533	1.5
144.05692	0.9
145.06490	2.8
145.10094	0.2
147.04364	0.5
147.08020	1.1
148.05177	0.8
149.05971	14.5
150.06409	0.6
151.03870	0.5
151.07533	13.8
152.04660	1.3
152.05820	0.2
152.07875	0.4
153.05431	0.6
153.06837	0.3
155.04921	0.3
155.06020	0.5
155.08607	0.2
156.05598	0.2
157.06480	2.1
158.07309	1.0
159.04420	0.5
159.08066	1.8
159.18549	0.2
160.05209	1.2
161.05972	19.8
162.06352	0.7
163.07536	24.5
164.07896	0.9
165.05551	0.3
165.09094	0.3
166.06252	0.4
167.07028	46.8
168.07359	1.7
169.06444	0.8
169.07637	0.2
171.04396	0.2
171.08047	2.2
172.05235	0.8
173.05977	9.0
173.09586	0.7
174.06364	0.4
175.07536	4.6
176.07869	0.3
177.05377	1.0
178.06090	0.3
179.07053	0.9
179.08348	0.2
180.07858	0.2
181.08594	3.7
182.08801	0.2
185.05966	17.0
186.06718	2.3
187.07538	7.5
187.09256	0.3
188.07878	0.4
189.07092	0.3
189.08969	0.3
190.07738	1.2
191.06981	0.4
192.07777	0.3
193.08588	5.1
194.09000	0.3
195.10196	1.2
195.11650	0.2
199.07526	2.0
201.09094	5.9
202.07779	0.3
202.09404	0.4
203.06863	0.3
203.08546	0.7
204.07722	0.2
204.09404	0.3
205.06752	0.3
205.08496	1.0
205.10124	2.7
206.10594	0.2
207.08224	0.3
207.10094	1.5
209.06070	0.1
209.08008	0.3
210.06752	0.3
211.07364	0.2
215.08597	1.8
217.08479	0.3
217.10321	0.3
218.07277	1.1
218.09030	0.2
219.08009	0.4
219.10129	5.3
222.06697	0.5
223.07530	0.4
231.08067	0.3
231.10106	0.2
232.08760	0.3
233.09558	4.6
233.11731	1.9
234.09966	0.3
235.07468	0.4
235.11093	0.2
237.08990	0.3
243.08034	0.6
245.09576	0.3
247.07643	0.2
247.11095	0.3
249.08986	0.4
250.10048	0.2
261.09088	3.3
262.09833	0.3
263.06723	0.2
263.10678	2.4
265.08301	0.2
265.09500	0.2
265.12228	1.6
273.09103	1.8
275.10577	0.2
276.07669	0.4
278.09573	0.2
281.11642	0.2
291.10141	7.7
292.10526	0.8
293.08310	0.3
293.11642	2.9
294.12024	0.2
295.13461	0.8
305.11679	0.6
305.59900	0.2
308.10294	0.7
309.14359	0.2
323.12762	19.8
324.13174	1.9
325.14270	1.4
326.14670	0.3
337.14331	0.4
340.13037	0.3
353.13751	0.3
355.15363	16.8
356.15701	1.6
373.16302	1.7
415.22083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1771
Annotation	Kadsulignan L
Peak:m/z	Relative Intensity
56.96558	5.6
67.05505	0.8
71.46504	0.8
79.05486	1.4
81.07077	1.0
91.05474	2.0
91.68697	0.7
93.07031	1.0
95.04957	1.1
95.08610	1.1
95.21969	0.8
100.92322	0.7
105.07000	1.1
110.98740	0.8
117.07011	0.8
117.96120	0.7
119.07739	1.7
119.08586	31.7
120.08897	1.5
128.98633	1.6
151.07555	2.5
189.07977	0.9
237.08075	1.1
261.22208	1.0
293.06717	1.3
333.17334	13.9
351.18436	28.9
352.18561	1.3
355.15524	6.0
369.19562	6.8
370.20306	0.8
373.16565	10.2
374.20215	4.7
396.18063	1.6
415.17682	100.0
416.17426	6.4
433.18713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12303	0.3
54.47264	0.3
55.05511	0.5
67.05505	0.5
69.03419	0.9
70.06596	1.4
71.05001	0.4
72.08168	1.1
79.05482	0.8
81.03426	0.8
81.07064	1.0
83.05031	0.4
83.08614	1.0
84.08129	0.4
85.02903	2.0
85.06558	0.4
86.09693	1.2
87.00830	0.6
91.05466	0.5
93.07044	0.9
95.04951	0.4
95.08607	0.6
96.06943	0.4
97.02901	0.9
97.06508	0.5
98.90308	0.4
98.97554	0.8
105.01921	0.5
105.07027	0.6
107.04969	1.4
107.08602	1.0
109.02840	0.6
111.04448	1.0
114.05670	0.4
116.07223	0.4
119.08604	0.7
121.10173	0.6
127.03937	1.1
131.08551	0.7
133.10138	0.5
136.37563	0.4
149.09615	0.5
152.04665	0.4
167.07076	1.8
167.10669	2.9
169.61435	0.4
181.04974	1.0
227.62877	0.3
233.08110	0.4
235.16994	0.8
253.14133	2.1
259.44211	0.4
273.11093	0.6
357.84454	0.4
371.16830	1.2
397.16464	0.7
415.14703	4.1
415.19418	100.0
416.19809	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01863	6.0
55.05502	3.6
57.03424	6.3
61.02920	4.2
67.05498	9.8
67.17612	2.1
69.03424	37.8
69.07056	7.0
69.53835	7.0
79.05484	8.2
80.78495	2.5
81.03415	21.1
81.07051	15.4
83.04952	4.1
83.08625	3.2
85.02902	70.2
87.00832	30.1
91.05460	13.0
93.07033	24.1
95.04953	8.8
95.08607	18.6
97.02876	14.0
97.06572	3.1
99.04452	7.9
105.01862	34.5
105.07042	25.1
107.04908	3.2
107.08590	100.0
109.02898	15.6
109.06517	8.2
109.10149	27.3
111.04445	4.6
111.08108	4.7
115.03920	3.5
117.07018	2.6
119.08577	23.9
121.06527	4.0
121.10140	35.0
123.04410	12.3
123.08043	3.6
127.03917	36.5
128.06213	2.6
129.01849	3.6
129.07057	3.2
131.08582	9.3
133.06480	2.3
133.10089	14.8
135.08014	2.9
135.11679	4.2
137.09653	3.7
143.08565	5.0
145.04968	8.2
145.10126	10.6
147.11681	12.9
149.06000	2.9
149.13228	33.8
151.07567	4.0
151.14850	3.4
155.08542	4.0
157.10097	5.5
159.02850	4.6
159.08047	3.4
159.11670	10.1
161.13263	12.4
167.07050	2.8
167.14311	18.3
171.02927	2.3
171.08000	2.3
171.11655	5.3
173.09596	2.5
173.13280	4.8
177.12767	14.5
179.14325	13.8
185.13277	2.8
189.03929	2.7
189.12709	4.4
191.14311	4.0
199.11226	2.6
203.14380	3.5
207.13756	5.4
211.14783	4.1
215.10686	2.8
215.14229	3.3
221.15414	2.8
229.15887	5.8
231.04999	9.7
233.15373	7.2
239.14404	4.3
257.15283	21.7
274.16501	2.9
275.16403	50.1
276.16699	2.9
293.17593	4.3
311.18417	4.6
318.89395	2.3
335.18573	11.1
361.16412	22.0
379.17410	17.9
380.18118	2.7
397.18753	13.5
415.19263	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09752	1.5
53.03947	2.9
54.68265	1.5
55.01873	4.4
55.05511	5.3
55.80878	1.4
55.94434	1.4
57.03430	3.7
57.07069	2.1
61.02916	5.0
65.03951	1.8
66.44041	1.5
67.05496	11.8
68.99788	2.9
69.03429	32.2
69.07059	8.8
70.57061	1.7
70.58019	1.6
70.58368	3.2
71.01341	1.7
71.04995	4.5
73.02918	2.6
79.05485	7.6
81.03419	19.2
81.07056	14.3
83.04999	3.9
83.08620	5.3
85.02905	53.0
87.00823	25.0
91.05468	12.6
91.85696	1.4
93.07044	24.8
95.04978	5.8
95.08605	21.0
97.02895	15.7
97.06516	4.6
98.97581	2.7
99.04462	9.2
103.03937	2.3
105.01863	28.9
105.07018	19.1
107.04961	2.8
107.08589	100.0
109.02870	15.1
109.06535	7.0
109.10150	29.3
111.04442	3.3
111.08079	8.2
113.06038	1.7
115.03920	3.6
116.52898	1.5
116.60142	1.4
117.07021	3.6
117.38667	1.4
119.06058	1.9
119.08577	25.7
121.06544	2.0
121.10145	40.8
121.10983	2.9
123.04436	10.5
123.08057	3.2
123.11664	2.9
123.67525	1.4
125.05987	2.2
127.03922	27.8
128.06281	2.1
129.01837	3.8
131.08582	8.7
133.06479	1.5
133.10118	10.6
135.08096	2.4
135.11710	6.4
137.09630	1.8
143.08577	5.7
145.04950	8.9
145.10132	5.8
147.02878	1.7
147.11714	9.2
149.06058	3.1
149.09650	2.9
149.13254	46.5
151.14810	3.3
152.37631	1.4
155.08556	2.0
157.10077	3.7
158.06012	1.7
159.02937	4.6
159.08095	1.8
159.11699	7.4
161.13268	10.1
162.89931	1.5
163.07455	1.6
165.12779	3.2
167.14305	20.8
169.10120	2.2
171.11693	3.8
173.09610	2.8
173.13286	5.4
175.14859	1.5
177.12723	6.9
179.06937	1.5
179.14336	9.4
183.11745	1.9
185.13263	1.7
187.11214	2.2
189.04062	2.0
189.12793	2.0
189.35605	1.4
190.66692	1.5
191.14320	3.6
197.13155	1.6
207.13824	6.1
209.15170	1.7
211.14882	1.5
213.03914	4.0
215.10524	1.4
215.14172	1.7
217.12151	2.1
229.15912	3.3
231.05052	6.5
233.15370	2.5
239.14270	3.0
257.15341	14.2
274.97598	1.9
275.16406	30.8
276.16803	1.6
293.17514	3.0
321.49594	1.6
335.18591	6.1
361.16550	16.0
379.17361	12.8
383.14853	2.1
397.18530	8.8
415.15805	2.2
415.21414	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45363	1.1
53.03938	2.3
55.01862	5.0
55.05499	4.3
57.03433	5.5
57.07077	1.5
57.07340	1.0
61.02918	3.7
63.16198	1.2
64.68027	1.0
65.03945	1.8
67.05501	8.2
68.99788	3.0
69.03069	1.5
69.03429	29.4
69.07069	7.2
69.21172	5.9
70.76071	1.2
71.01363	1.5
71.04993	5.1
73.02906	4.4
79.05495	8.2
81.03415	17.3
81.07056	13.1
83.04980	2.3
83.08614	3.3
85.02904	55.6
86.06084	3.2
87.00832	23.7
91.05466	11.9
93.07050	21.1
95.04961	6.9
95.08601	20.4
97.02895	12.0
97.06518	4.1
98.23459	2.1
99.04460	7.3
103.03928	1.6
105.01865	26.9
105.07031	22.8
107.04960	3.2
107.08593	100.0
108.08971	2.8
109.02880	10.3
109.06525	5.4
109.10152	20.6
111.04456	5.6
111.08086	6.5
113.02435	1.2
115.03944	2.7
117.01769	1.4
117.07015	3.3
119.06104	2.4
119.08576	19.4
121.06511	4.4
121.10143	31.8
123.04439	9.6
123.08075	3.0
123.11698	3.4
125.06065	2.0
127.03027	1.7
127.03917	25.3
129.01851	2.5
129.06985	2.4
131.08577	10.1
133.06505	1.6
133.10123	10.2
135.04414	1.5
135.08041	4.1
135.11699	5.0
137.02359	1.3
137.05980	3.0
137.09633	1.9
137.13275	1.5
141.06967	1.1
143.08595	5.4
144.09377	1.7
145.04950	8.4
145.10123	8.3
147.02913	1.2
147.08043	3.2
147.11693	9.4
149.05954	2.9
149.09653	1.4
149.13249	31.1
151.14801	3.2
155.08496	2.1
157.10153	5.8
159.02902	3.6
159.08051	2.2
159.11707	12.2
161.13263	11.9
163.14825	2.4
165.12770	2.0
167.07016	2.3
167.14307	14.5
169.10118	2.2
171.11687	5.4
173.09634	1.8
173.13306	5.2
175.11206	3.1
175.14667	1.7
177.12762	10.7
179.14328	11.1
181.10155	1.9
183.11830	2.3
185.13284	1.9
187.07500	2.1
187.11234	2.1
187.14629	1.5
189.04056	1.4
189.12733	5.7
191.14320	4.5
197.09511	1.6
199.11195	2.7
201.12689	2.3
201.16283	1.2
203.14354	3.8
207.13734	6.5
211.14969	1.5
215.14308	2.8
217.12328	1.6
229.15863	2.5
231.04933	5.9
233.15428	4.0
239.14265	2.8
245.15416	1.8
257.15347	15.4
275.16418	34.4
276.16803	2.4
283.05731	1.2
293.17474	3.7
311.18515	3.6
329.19489	2.2
335.18253	5.6
361.16373	17.5
361.20450	1.4
362.16736	1.6
375.22202	1.1
379.17450	15.5
380.17929	1.5
397.18610	11.2
415.18695	8.2
416.20493	3.3
420.15640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.0
50.59190	0.0
51.02388	0.1
52.03155	0.0
53.00296	0.0
53.03930	0.1
55.01857	0.1
55.05495	0.0
59.04982	0.1
62.01592	0.0
63.02382	0.1
64.03141	0.0
65.03905	0.4
66.04707	0.2
67.05493	0.2
71.46791	0.0
75.04464	0.3
77.03878	0.3
77.04276	0.0
78.04693	0.4
78.05114	0.0
79.05477	1.2
80.06255	0.8
81.03403	0.1
81.07037	0.1
89.03852	0.2
89.06010	0.0
90.04102	0.0
90.04679	0.7
91.05462	4.1
92.02596	0.0
92.05780	0.1
92.06256	0.1
93.03374	0.1
93.06486	0.0
93.07037	0.5
94.04181	0.1
95.04959	0.6
95.08572	0.1
97.06498	0.0
102.04673	0.1
103.05441	0.8
104.06242	0.1
105.03373	0.5
105.04496	0.2
105.05487	0.0
105.07013	1.0
106.04150	0.8
106.07369	0.0
107.04936	6.9
107.08536	0.1
108.05730	3.4
109.06530	0.6
115.05418	0.6
116.06218	0.1
117.06994	1.1
118.04131	0.7
118.07345	0.0
119.04922	0.4
119.06038	0.3
119.08545	0.5
120.05679	0.2
121.02950	0.1
121.06483	2.7
122.03626	0.1
122.07333	0.2
123.04455	0.2
123.08064	0.5
124.05161	0.1
127.05481	0.1
128.06169	0.3
129.06990	0.5
130.04118	0.1
130.07777	0.1
131.04900	1.3
131.08574	0.2
132.05690	0.4
133.06464	1.3
133.07428	0.1
134.03592	0.0
134.07274	0.3
135.04390	2.6
135.08029	1.3
136.05174	6.6
137.05966	2.2
137.09534	0.1
138.06766	0.6
139.07547	0.4
141.06956	0.1
142.07874	0.1
143.04860	0.3
143.06012	0.0
143.08574	0.3
144.05730	0.3
145.06461	2.0
146.03558	0.1
146.07249	2.6
147.04375	0.2
147.08031	2.6
148.05164	0.6
148.08844	0.3
149.05969	1.5
149.07016	0.1
149.09544	0.3
150.06746	2.1
150.80093	0.0
151.07507	100.0
152.07838	3.2
153.05310	0.0
153.06990	0.0
153.09035	0.5
155.04810	0.0
155.06023	0.1
155.08485	0.1
156.05589	0.1
157.06467	0.6
157.10152	0.1
158.07233	0.7
159.04375	0.1
159.08015	1.4
160.05156	0.3
160.08810	1.6
161.05952	1.7
161.09570	0.5
162.06725	1.0
163.03900	0.1
163.07504	2.2
164.04659	0.1
164.08298	2.3
165.05489	0.3
165.09074	8.4
166.06218	3.0
166.09256	0.3
167.07033	0.4
167.10559	0.1
168.07716	0.1
169.06422	0.1
169.08656	0.1
170.07227	0.1
171.08029	0.9
172.05284	0.0
172.08803	1.0
173.05949	1.1
173.09538	0.5
174.06729	1.1
174.10233	0.2
175.07500	1.1
176.08286	1.4
177.05643	0.7
177.09068	10.1
178.06233	0.8
178.09444	0.4
179.07277	0.3
179.10626	7.1
180.07799	0.6
180.10960	0.3
181.08554	6.5
182.08879	0.3
183.07953	0.1
183.10127	0.1
184.08812	0.1
185.05992	0.1
185.09612	0.3
186.06750	0.1
186.10367	1.3
187.07491	1.3
187.10982	0.1
188.08289	2.9
189.09058	5.0
190.09677	0.4
191.07088	0.1
191.10625	4.4
192.07794	0.1
192.11024	0.2
193.08559	7.4
194.08888	0.3
195.08199	0.1
195.10120	1.7
196.10530	0.1
198.06673	0.1
200.08228	0.2
201.05432	0.0
201.09067	1.1
202.06178	0.0
202.06483	0.0
202.09848	2.3
203.06943	0.2
203.10622	6.1
204.07919	0.1
204.11011	0.3
205.08710	0.2
205.12195	0.5
206.09389	0.1
207.10098	1.2
208.10651	0.0
209.09592	0.1
209.11658	0.1
210.10371	0.1
211.07616	0.0
213.09140	0.1
214.09773	0.0
215.10611	1.1
216.07578	0.0
216.11092	0.2
217.08656	0.3
217.12187	7.1
218.09319	0.2
218.12492	0.4
219.08124	0.0
219.10129	0.6
220.10635	0.0
221.09665	0.1
221.11606	0.4
225.09235	0.0
226.09805	0.1
227.10657	0.2
229.12251	0.0
231.10135	0.5
231.13644	0.1
232.10730	0.1
233.09528	0.0
233.11659	0.4
234.12170	0.0
241.12180	0.3
245.09511	0.1
245.11754	0.1
246.10034	0.0
247.07504	0.0
247.11136	0.0
247.13162	0.1
249.11256	0.1
251.10756	0.0
255.10031	0.0
259.11084	0.1
259.13345	0.1
260.11575	0.0
261.09015	0.1
262.09839	0.1
263.10641	0.0
263.14252	0.0
265.12146	0.0
268.10834	0.1
273.12552	0.0
275.10645	0.1
276.11295	0.1
277.12119	0.1
278.12668	0.0
279.10059	0.0
280.10690	0.0
282.12384	0.0
283.09665	0.1
288.11441	0.1
289.12170	0.1
290.12909	0.0
291.10190	0.1
291.13742	0.1
292.10815	0.0
292.14459	0.1
293.11563	0.1
293.14871	0.0
295.13095	0.0
298.11981	0.1
299.12650	0.0
302.12885	0.0
303.10434	0.0
304.11209	0.0
304.14621	0.0
305.11661	0.1
305.14941	0.0
306.12338	0.1
307.09894	0.0
307.13220	0.1
308.13986	0.1
309.14746	0.4
310.11780	0.0
311.12897	0.0
316.14856	0.0
317.11578	0.1
317.15152	0.0
318.12473	0.1
319.09818	0.0
319.13123	0.1
320.13889	0.1
321.11240	0.1
321.14816	0.1
322.12131	0.0
322.15616	0.1
323.12723	0.1
323.16336	0.6
324.16904	0.2
325.14227	0.2
332.14114	0.0
333.14709	0.2
335.12738	0.1
336.13364	0.1
337.14236	0.1
337.17990	0.0
338.15021	0.1
339.15872	0.0
340.16611	7.5
341.16956	0.8
347.16342	0.2
348.17029	0.3
349.14301	0.1
349.17856	0.0
350.14957	0.1
351.15866	0.2
352.16544	0.1
353.17380	0.6
354.17752	0.1
355.18958	4.7
356.19272	0.4
364.16446	0.1
365.17291	0.1
367.19025	0.0
368.15842	0.0
369.16937	0.1
370.17517	0.0
373.19897	0.2
379.18979	0.8
380.19159	0.1
383.18402	0.4
384.19202	0.5
385.16107	0.1
385.20001	0.1
397.20044	0.5
398.20135	0.0
400.18716	1.1
401.19022	0.1
415.21057	4.4
416.21414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84856	0.9
55.05524	1.2
59.83509	1.0
59.95733	0.9
70.01928	1.0
72.39323	1.1
79.05524	1.1
81.07081	1.4
85.34921	1.1
89.44062	0.9
91.05490	3.3
95.08611	1.2
101.73572	0.9
107.08570	2.3
119.08586	47.7
120.08884	1.5
134.57684	1.2
137.52612	1.0
151.07597	1.8
170.50574	1.0
258.56943	1.0
415.28183	100.0
416.20673	4.3
416.28461	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.2
67.05492	27.5
69.03425	8.7
69.07066	13.6
71.05000	12.3
71.46823	6.9
79.05487	17.4
81.07053	100.0
83.04980	60.0
85.02914	18.6
85.06564	8.1
86.09718	11.2
91.05480	24.2
93.07033	71.6
93.89535	6.1
95.04968	11.7
95.08611	31.6
97.02888	11.6
97.06527	15.6
101.63256	6.0
105.07026	33.4
107.08578	39.7
109.06503	7.8
109.10170	23.2
111.08101	10.3
117.07022	16.1
119.08558	30.9
121.10141	28.7
123.11705	21.8
126.34483	6.0
131.08572	16.8
133.10146	25.3
135.11702	13.5
137.09567	7.4
145.10117	32.0
147.11661	9.5
151.11176	10.8
155.25601	5.7
159.11667	31.2
161.13280	26.0
163.11169	20.1
167.07083	24.2
173.13274	7.8
181.04999	16.1
189.31410	5.7
191.07060	8.6
191.18033	8.6
201.16301	29.2
219.17471	24.4
311.58212	6.1
413.37799	6.3
416.20578	63.6
417.16003	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.4
55.05527	14.3
67.05505	28.5
69.03442	13.2
69.07076	24.9
70.99744	8.6
71.00082	7.7
71.04987	11.2
79.05485	39.8
81.07057	70.8
81.62908	7.9
83.08672	10.4
85.02916	34.0
91.05499	27.9
93.07051	83.3
95.04985	9.7
95.08627	60.4
97.06528	51.3
98.33604	8.1
105.07036	82.6
107.08599	87.0
108.85547	7.4
109.10158	47.3
111.08111	11.3
117.07066	13.3
119.08620	49.8
121.10162	50.1
123.11726	9.5
125.70312	9.0
131.08583	47.0
133.10149	32.9
135.11688	10.1
137.02882	8.5
145.10146	100.0
147.11661	18.3
149.13243	21.3
159.11674	58.3
161.13275	28.4
167.07085	30.1
167.14282	8.8
173.13261	14.7
181.04977	31.1
191.07074	14.4
201.16406	83.4
204.06548	12.2
210.14926	33.2
219.17444	32.5
228.16016	42.3
274.16537	47.1
277.10709	23.9
303.33774	8.5
324.08850	10.1
359.26526	10.3
370.12848	17.2
382.61194	10.6
398.12265	31.4
398.25500	17.7
416.20499	62.9
417.15656	15.3
417.20923	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65383	5.1
54.27570	4.4
55.01855	6.8
55.05505	21.1
62.91193	4.1
67.05499	30.4
69.03419	8.9
69.07063	11.6
70.06574	4.5
71.46542	5.1
79.05477	24.4
80.80244	5.0
81.03368	4.2
81.07053	59.4
83.08618	14.6
85.02878	9.8
91.05470	22.2
93.07042	44.8
95.08595	61.4
97.02892	13.2
97.10168	7.4
100.81783	4.3
105.07033	57.0
107.08593	61.5
109.10145	44.6
113.02374	11.7
119.08569	45.0
121.10130	19.2
122.02705	5.5
123.11691	10.4
124.14147	5.3
125.09602	11.8
131.08488	4.3
133.10106	17.9
135.11664	17.5
143.08553	4.9
145.10117	10.6
147.11694	34.6
149.13222	5.8
161.13246	15.1
163.14824	20.8
174.12747	6.5
175.14816	7.2
181.04805	5.7
189.11200	10.1
191.07060	6.2
201.16228	5.7
203.17946	100.0
204.18185	7.1
207.20766	4.4
221.19034	5.2
221.44638	4.9
223.07471	6.0
230.12167	9.2
272.22171	11.6
289.16568	7.6
342.16702	5.1
416.20410	69.6
417.20715	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76847	1.0
55.05514	7.9
56.05040	3.0
57.03438	1.8
57.07091	2.2
58.06593	3.3
60.04528	10.0
65.03928	1.1
67.05500	10.3
68.05038	2.0
69.03440	1.3
69.07066	18.3
69.54409	3.4
70.06595	2.5
71.04985	5.4
71.08627	8.9
74.06062	4.7
76.71092	0.9
77.13676	0.9
79.05510	5.1
81.07052	14.3
82.06586	1.2
83.08609	8.3
86.06076	2.7
86.09705	1.9
87.04479	1.5
88.07629	35.2
91.05493	3.5
93.07045	7.8
95.04961	2.0
95.08597	9.5
97.06505	2.2
97.10150	1.9
98.98482	1.4
99.04490	2.2
99.08084	6.2
105.07050	3.5
107.08591	6.6
109.06546	2.7
109.10136	6.4
111.04469	2.2
111.08069	2.4
113.00019	4.3
117.07043	1.8
117.09103	1.4
119.08578	15.4
120.08924	7.7
121.10188	5.1
123.11701	2.4
125.06003	2.5
127.16200	1.0
131.08615	3.0
133.10136	3.8
135.08069	1.0
135.11761	2.4
141.12747	1.0
145.10133	1.6
147.08058	1.3
149.09642	0.9
149.13263	5.9
155.01047	2.4
159.11729	1.9
160.13335	2.2
162.12766	1.2
167.14297	2.1
169.02640	4.9
169.12238	100.0
170.12595	4.1
171.11670	1.7
178.63803	0.8
183.11798	1.5
185.13196	1.1
187.14943	1.0
192.20515	1.2
219.17546	1.5
231.15866	5.5
237.18507	6.8
265.17984	32.7
282.28076	2.1
283.19000	7.6
289.16766	1.3
300.28860	2.0
308.29376	1.4
326.30612	2.6
344.31567	20.3
344.35428	1.7
345.31677	1.2
397.03223	1.2
416.20758	11.7
416.25735	1.3
416.28293	1.0
416.37222	12.0
417.21014	1.4
417.27295	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
55.05511	31.0
57.07072	10.4
60.04515	4.7
61.90878	4.4
67.05505	41.6
69.07060	39.2
69.61645	11.6
69.62047	7.2
71.04974	4.4
71.08627	32.3
71.78896	3.7
73.06549	6.7
73.29652	3.8
79.05505	11.0
81.07054	58.1
83.08620	42.3
88.07636	10.3
89.06026	5.5
90.90015	4.0
91.05489	14.9
93.07050	41.6
93.50004	4.5
95.08611	29.8
97.06536	18.4
97.10153	8.0
98.98447	10.8
99.04428	4.5
99.08090	34.2
100.64518	3.9
105.07016	10.2
107.08598	29.0
109.06557	4.5
109.10144	17.5
111.08079	17.1
113.00011	6.5
119.08579	56.3
120.08907	26.0
121.10135	19.5
123.11691	9.8
129.09120	4.0
133.10141	4.8
135.11710	8.4
149.13261	55.9
155.01068	22.5
159.11700	8.3
162.12840	5.9
167.14317	16.7
169.12242	13.6
187.13271	6.9
190.12254	6.7
213.14816	12.6
223.16750	7.7
229.21782	4.6
231.15932	58.2
232.16266	6.8
232.70418	4.4
236.70105	3.9
237.18501	5.5
241.18022	8.1
260.06659	5.1
263.23642	5.0
265.18024	18.4
283.19025	100.0
289.16492	6.9
319.28433	6.4
339.25360	6.9
416.20844	47.2
416.31177	31.5
416.37161	12.5
417.19583	9.4
420.52271	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05795	0.8
70.08734	2.2
216.56068	0.7
316.22705	0.9
417.09451	100.0
418.09793	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1924
Annotation	Epigomisin O
Peak:m/z	Relative Intensity
53.77334	0.9
54.84344	1.0
55.05499	3.8
56.96566	1.3
57.07067	2.0
60.92750	1.0
67.05508	5.5
69.07063	3.2
69.30540	1.7
69.30949	3.9
70.06577	2.6
74.06058	1.2
78.86739	1.0
79.05494	3.2
81.07052	4.1
86.09691	1.9
88.07629	5.9
91.05492	2.4
93.07037	3.2
95.08597	3.9
97.06528	1.0
98.98468	2.6
99.14275	1.1
102.30602	1.0
105.07037	2.1
107.08598	3.2
109.06512	2.5
109.10145	1.6
117.07008	1.1
119.08578	3.2
121.10177	1.5
132.10255	1.4
133.10127	1.6
135.11682	2.5
155.01050	3.3
209.13268	1.2
263.23550	1.6
317.17859	3.1
318.18201	1.1
324.32678	2.7
325.32858	1.5
335.15079	1.6
335.18820	9.4
353.19803	2.8
357.17377	2.4
358.20447	1.9
375.18253	9.7
398.26804	1.3
399.18164	100.0
400.18393	5.3
408.11230	1.2
416.28046	1.9
416.37305	14.1
417.09723	9.2
417.19302	21.4
417.26978	6.4
417.37222	6.6
418.09836	1.2
418.38818	2.7
440.20819	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61977	0.5
55.01868	1.4
55.05507	0.9
57.03429	0.8
61.02910	1.1
65.03935	1.2
67.05490	1.6
68.95279	0.6
69.03413	2.8
70.06580	0.8
71.04986	1.3
71.46249	0.7
79.05476	1.0
81.03403	2.0
81.07062	1.6
83.04971	0.8
84.08153	0.6
85.02904	8.9
86.09689	0.9
87.00829	1.6
87.04477	0.7
91.05479	11.9
91.06046	0.6
93.07027	2.0
95.04986	0.7
95.08603	1.8
97.02896	2.9
97.06492	0.6
98.35709	0.5
100.11272	0.7
103.05478	0.9
105.01874	3.0
105.06989	2.7
106.07324	1.0
107.08567	2.3
109.02874	1.6
109.10142	1.0
115.49947	0.6
116.07122	0.6
119.04939	21.1
119.08615	1.1
121.06518	1.1
121.10141	0.9
125.05975	0.8
125.09614	0.6
127.03919	3.3
131.04947	0.9
131.08574	1.7
132.10280	0.6
133.06389	0.7
133.10109	2.0
135.08057	2.0
135.11659	1.2
145.02811	0.9
145.04944	2.2
145.06407	0.6
147.04405	20.2
157.03976	2.0
159.10149	0.6
164.04741	0.7
167.07013	2.1
175.03908	41.0
176.04259	1.7
177.09102	0.7
179.06981	1.7
180.08727	0.9
181.04895	1.6
191.07010	0.7
192.04179	3.7
207.06517	100.0
208.06866	3.8
216.59381	0.6
219.09972	0.5
220.17802	1.0
221.08102	1.1
221.11612	0.6
239.09117	14.0
418.17572	2.3
418.26877	0.7
419.18555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61977	0.5
55.01868	1.4
55.05507	0.9
57.03429	0.8
61.02910	1.1
65.03935	1.2
67.05490	1.6
68.95279	0.6
69.03413	2.8
70.06580	0.8
71.04986	1.3
71.46249	0.7
79.05476	1.0
81.03403	2.0
81.07062	1.6
83.04971	0.8
84.08153	0.6
85.02904	8.9
86.09689	0.9
87.00829	1.6
87.04477	0.7
91.05479	11.9
91.06046	0.6
93.07027	2.0
95.04986	0.7
95.08603	1.8
97.02896	2.9
97.06492	0.6
98.35709	0.5
100.11272	0.7
103.05478	0.9
105.01874	3.0
105.06989	2.7
106.07324	1.0
107.08567	2.3
109.02874	1.6
109.10142	1.0
115.49947	0.6
116.07122	0.6
119.04939	21.1
119.08615	1.1
121.06518	1.1
121.10141	0.9
125.05975	0.8
125.09614	0.6
127.03919	3.3
131.04947	0.9
131.08574	1.7
132.10280	0.6
133.06389	0.7
133.10109	2.0
135.08057	2.0
135.11659	1.2
145.02811	0.9
145.04944	2.2
145.06407	0.6
147.04405	20.2
157.03976	2.0
159.10149	0.6
164.04741	0.7
167.07013	2.1
175.03908	41.0
176.04259	1.7
177.09102	0.7
179.06981	1.7
180.08727	0.9
181.04895	1.6
191.07010	0.7
192.04179	3.7
207.06517	100.0
208.06866	3.8
216.59381	0.6
219.09972	0.5
220.17802	1.0
221.08102	1.1
221.11612	0.6
239.09117	14.0
418.17572	2.3
418.26877	0.7
419.18555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77989	2.6
53.03952	4.5
54.26937	2.5
55.01876	3.7
55.05492	3.7
57.03430	8.7
61.02911	3.4
67.05499	5.1
69.03419	23.3
69.07071	3.2
70.06611	13.1
71.04995	8.6
72.08152	11.2
73.02908	13.4
76.65935	2.3
77.03945	2.9
79.05493	9.7
81.03408	10.3
81.07053	11.3
82.42302	2.4
83.04984	4.2
85.02905	39.4
86.09724	7.8
87.04456	7.0
87.10068	3.0
89.37748	2.5
90.09194	3.4
91.05473	42.2
93.07043	16.3
94.05890	2.3
95.04966	9.0
95.08595	6.3
97.02893	25.6
97.06509	13.0
98.06037	2.6
99.04469	5.7
100.42738	2.6
101.06033	2.8
105.06992	15.5
107.04932	5.8
107.08617	10.1
109.02864	3.4
109.06520	11.8
109.10167	12.5
111.08109	3.5
115.03916	8.1
117.03391	14.8
117.07035	6.2
119.04943	3.9
119.08607	8.5
120.08133	4.4
121.06500	9.8
121.10135	9.4
122.07218	3.0
123.08053	20.3
123.11684	9.5
125.05978	10.8
125.09622	9.3
127.03935	6.6
127.71440	2.3
128.06235	3.8
129.07001	3.3
130.05032	2.8
131.08559	6.1
133.04956	7.7
133.06462	4.9
133.10121	26.1
135.04417	3.8
135.08044	8.0
135.11678	3.7
137.06000	4.3
137.09627	28.2
141.09106	8.6
143.08588	5.2
144.08080	7.8
145.02826	34.6
145.04982	8.5
145.10103	3.8
145.40788	2.8
147.04427	5.1
149.05952	6.7
149.09598	3.9
151.07562	4.7
151.11166	17.9
153.12729	4.7
157.10072	3.0
158.09573	3.4
161.09607	45.7
163.03909	3.2
163.07545	5.9
165.12697	5.4
167.07047	27.1
167.10684	3.6
169.12251	7.8
175.07555	3.9
175.11186	11.7
177.05463	62.2
177.09114	3.0
178.09949	2.7
179.10663	100.0
186.12431	6.5
187.07510	4.8
188.07010	20.2
193.12234	42.4
202.08653	6.2
202.15871	20.2
203.10620	4.5
211.13300	9.3
214.11876	4.8
216.10201	4.1
221.08220	3.9
221.11707	32.7
226.47748	2.3
231.08963	3.0
234.15036	3.2
239.12831	6.6
246.14900	97.3
247.15251	7.2
264.15970	13.0
304.37692	2.6
400.23218	4.7
418.16318	3.3
418.23990	13.6
419.12473	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
67.05503	15.6
69.03433	4.6
69.07068	10.4
69.51905	15.7
79.05497	14.0
81.07053	35.6
85.02885	21.2
90.05252	3.0
91.05474	14.1
93.07041	28.1
94.53266	4.4
95.08607	53.7
97.02915	6.6
98.22627	3.8
105.07026	45.7
107.08579	43.7
109.10154	41.3
119.01431	3.3
119.08561	37.4
121.10178	22.3
121.11027	3.6
123.11716	6.0
127.03915	3.9
132.52582	3.8
133.10135	18.7
135.11693	9.8
145.04988	4.8
147.11710	34.4
161.13245	15.0
163.14841	17.7
175.14847	8.2
203.17946	100.0
204.18259	4.2
221.18961	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43519	2.2
53.09342	2.4
55.01878	2.3
55.05497	8.2
55.88373	2.2
65.03943	3.3
65.51608	2.4
67.05502	31.8
69.03429	3.6
69.07069	11.4
75.90660	2.7
79.05492	23.9
81.07057	76.3
83.08630	5.8
84.16000	2.7
85.02904	11.6
88.73338	2.6
91.05461	27.4
93.07037	45.8
95.04971	4.6
95.08603	98.8
96.08948	2.6
97.02901	3.7
97.06512	5.2
97.10175	3.0
98.97573	6.1
105.07030	100.0
106.07384	4.9
107.08593	78.4
109.06528	2.9
109.10155	62.1
119.08577	62.1
121.10143	28.1
123.11658	11.7
133.10117	35.6
135.11700	18.6
136.05202	2.4
145.04938	4.7
145.10141	2.8
147.11673	62.1
151.07562	5.6
161.13245	20.3
163.11281	2.1
163.14787	12.1
167.07065	4.1
175.14789	10.8
197.08067	14.0
203.17932	69.2
204.18317	4.4
212.30281	2.3
262.26236	2.6
270.14688	3.6
270.90784	2.5
345.69366	2.5
350.15378	3.1
374.20828	20.7
387.77307	2.7
411.43842	2.9
418.15277	3.0
418.21008	6.0
419.20279	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	9.1
57.24957	3.3
64.99213	2.8
67.05511	9.3
68.20479	3.4
68.34883	3.0
69.03445	3.1
69.07076	28.0
69.59175	3.3
69.76596	5.4
69.76941	10.5
71.05001	17.9
79.05513	9.5
79.20646	3.4
81.03442	4.0
81.07056	100.0
85.02912	12.4
91.05507	4.7
93.07053	7.6
95.08603	46.5
104.31945	3.4
105.07061	8.1
107.08630	3.8
109.10141	7.6
119.08568	5.7
130.93311	5.2
137.05986	13.8
145.04961	6.6
147.11745	4.1
151.07561	25.2
151.14836	18.4
154.06277	5.8
163.06041	4.9
165.05481	6.1
167.07092	5.5
172.94432	6.0
177.09134	7.6
181.08611	5.2
182.05745	6.1
190.95401	4.1
197.08105	28.6
203.10637	4.6
203.18086	5.6
220.02260	3.3
253.11160	4.2
272.63287	3.1
297.10049	8.0
299.16293	4.6
308.31717	3.1
312.10840	3.4
315.11163	13.0
377.05923	14.1
395.06778	25.5
413.07986	11.8
418.08606	5.2
419.20184	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40943	0.4
50.44714	0.4
53.43275	0.4
53.51968	0.4
55.05520	1.1
57.07076	5.0
58.06603	2.3
66.67366	0.5
67.05507	1.3
68.05026	0.4
69.07074	0.9
70.06596	17.9
70.13100	1.1
71.08640	2.0
72.08176	2.3
79.05491	0.7
81.07061	1.0
83.55105	0.4
84.08144	2.0
84.37535	0.4
85.10177	0.7
86.09700	3.6
87.04455	0.5
88.07629	4.8
89.06051	0.5
91.05493	1.4
93.07059	1.1
95.04971	0.6
95.08599	1.2
98.22894	0.6
100.07602	0.5
102.09200	1.8
105.07027	1.2
109.06544	0.5
109.10158	0.4
114.09195	1.1
117.07038	0.8
129.07057	0.6
131.08588	1.1
132.10211	8.3
133.10130	0.6
141.07034	0.5
143.08592	0.7
145.10138	0.6
146.11772	7.9
149.13324	0.5
155.08592	0.5
248.59575	0.4
261.86057	0.4
268.29965	2.5
294.31528	1.6
312.32541	6.4
337.17526	6.2
356.35239	41.2
357.35721	2.1
365.24765	1.0
382.24515	0.5
383.25571	0.6
400.37445	0.5
401.26746	0.8
415.98221	0.5
418.38925	100.0
419.28009	0.8
419.39310	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39942	9.1
54.97618	12.0
56.96564	11.0
60.61468	9.2
67.05505	20.1
69.07064	23.1
69.68908	28.9
69.69296	23.7
79.05490	13.5
81.07047	13.0
93.10709	10.1
97.06499	10.6
98.23081	36.6
108.16853	9.5
109.10168	12.4
135.04399	31.4
136.04808	11.9
151.07500	21.4
152.07890	11.3
158.04198	13.0
162.34346	10.0
210.81923	11.1
414.08917	11.9
419.05304	100.0
419.20798	43.2
419.33115	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.94751	0.2
55.01867	0.4
55.49240	0.2
57.03425	0.5
61.02929	1.7
63.79070	0.3
68.99787	0.4
69.78896	0.2
71.01328	0.3
71.46684	0.3
73.02918	13.4
74.06113	0.3
75.51211	0.2
79.05494	0.6
81.07033	0.5
85.02907	0.6
85.06532	0.4
91.05464	0.5
93.07053	0.7
95.04961	0.4
95.08591	0.4
105.03441	0.4
105.07053	0.5
107.04935	0.4
107.08586	0.3
109.02885	0.3
110.40549	0.3
111.00818	0.8
115.03915	1.1
119.08572	0.5
121.02863	2.2
121.10120	0.4
131.08560	0.4
133.02820	0.5
137.02313	0.6
137.06004	0.3
147.04382	0.6
151.07515	0.3
153.01814	3.7
157.06476	0.4
161.05989	0.4
165.01846	2.0
167.07112	0.4
171.04494	0.4
175.04044	0.4
177.09090	0.3
181.04984	0.6
183.02901	0.9
185.06004	0.3
188.08318	1.1
191.07066	0.6
203.10661	1.3
213.05460	1.0
215.10674	0.7
231.06586	0.6
233.11702	3.3
241.04895	0.7
258.05261	0.9
259.06082	0.3
269.04514	0.2
287.05490	100.0
288.05820	5.1
383.14444	0.3
385.14828	1.2
401.15839	0.3
419.13333	1.0
419.17999	0.5
435.84760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51238	1.7
51.58717	1.7
53.03945	2.2
54.41175	2.0
55.01877	3.2
69.03432	4.3
69.07069	3.1
69.63706	6.3
69.64069	3.2
69.99608	1.7
70.06582	5.8
77.90658	1.9
78.04704	2.5
78.10280	1.9
79.05491	16.2
81.07056	4.7
83.18177	1.6
85.02911	3.9
86.09691	12.2
89.88596	1.8
91.05485	5.9
93.07043	2.8
95.04978	4.8
97.02880	2.3
105.07002	3.3
107.04949	19.6
107.51327	1.9
109.10155	2.3
115.05463	2.7
116.06257	2.2
116.07079	4.6
117.07004	4.1
119.08567	2.2
121.06535	2.2
122.03709	1.9
123.04478	3.5
124.05206	3.6
125.06043	3.8
128.06206	2.4
129.07002	4.9
131.08562	8.5
136.07613	3.2
137.05995	4.1
141.06992	2.5
144.05727	5.2
145.06512	6.2
147.04321	1.8
151.07562	1.8
152.04703	3.3
153.06931	2.6
156.05704	6.5
157.06485	4.2
158.07198	3.2
159.08023	14.1
167.07039	65.9
168.07448	3.1
169.06418	2.5
170.74107	1.7
173.05962	5.9
175.07506	2.1
180.07549	2.1
184.05338	2.6
186.06772	2.8
187.07489	8.8
190.06242	4.3
191.07040	2.2
193.08618	2.1
194.31876	2.0
195.06471	2.8
202.06197	3.5
202.07805	2.8
203.08627	2.5
205.08568	10.0
207.06493	3.7
208.05164	16.8
208.06815	2.6
216.11295	2.2
217.08553	17.8
218.07300	3.3
219.08035	8.4
219.10112	3.8
221.05939	4.8
229.08574	7.4
231.08037	6.5
233.05893	2.8
233.09610	2.8
235.07480	2.2
236.04709	4.5
236.08469	3.2
239.07018	2.3
240.04320	2.1
247.07475	9.3
247.09717	16.6
248.08334	9.6
254.05565	9.0
255.06506	3.2
256.07135	2.0
259.07486	2.2
261.09100	3.5
262.09937	2.7
263.07172	2.7
263.10690	6.8
264.07797	8.2
265.08621	5.0
267.06564	4.6
268.03745	3.1
269.08060	19.1
270.08682	2.4
271.09631	5.2
272.06836	4.0
275.07074	6.6
276.07822	4.9
277.08548	3.2
279.10129	4.8
282.05624	2.7
282.08853	12.7
290.09399	4.9
291.10107	9.2
292.07272	2.9
293.08124	6.5
299.09033	3.6
300.06305	3.7
300.09857	2.1
305.07977	3.4
307.09656	7.7
308.10358	5.1
310.08295	5.5
315.08627	63.6
316.09152	2.9
319.09601	6.4
321.07565	5.4
323.12723	9.1
328.09494	4.9
330.10938	100.0
331.11548	13.3
336.10114	3.0
337.10593	6.4
339.12268	8.2
343.11694	16.2
351.12253	22.3
352.12726	3.9
353.09976	2.1
368.12531	5.6
369.13293	5.8
371.14655	4.4
383.14856	62.2
384.15256	3.8
401.15958	20.8
419.12820	4.7
419.17941	4.0
420.21445	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2641
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.05508	8.3
57.03429	2.8
59.05012	4.0
67.05518	7.8
69.03447	3.5
69.07071	7.9
71.04998	25.2
73.06559	5.8
74.10110	2.1
79.05491	23.4
81.03425	2.9
81.07055	83.6
82.42854	1.9
83.08596	3.8
83.21680	2.2
85.02893	13.0
85.06519	5.0
86.79815	2.1
87.00834	3.2
87.11915	2.3
91.05491	9.1
93.07046	37.0
95.04985	2.4
95.08595	19.8
97.02900	2.7
97.06525	3.7
97.10181	2.8
99.08076	3.3
105.01827	3.6
105.07026	20.5
107.08592	49.3
109.02901	3.1
109.10163	22.2
111.08069	2.3
113.23631	2.2
115.05555	2.2
117.07030	3.0
119.08586	38.6
121.06557	2.4
121.10160	5.8
123.11693	16.0
125.09599	2.1
127.11195	14.4
127.44421	2.4
133.10133	23.5
135.11691	88.9
136.12051	4.6
137.13139	2.3
143.10713	11.3
147.11720	14.9
149.13322	3.4
153.12744	100.0
154.13135	4.7
161.13252	13.8
163.14783	3.3
167.07085	2.6
173.13271	2.4
181.04958	3.4
203.17940	31.1
204.18338	4.0
221.19014	16.4
276.74225	2.4
328.71057	2.3
374.19748	2.5
399.63882	2.5
410.06134	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2645
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
55.05500	9.3
57.07059	4.6
64.49082	3.1
67.05496	11.4
69.03431	5.5
69.07055	5.8
69.53097	14.3
70.45792	3.4
71.05000	18.3
79.05489	24.9
81.07056	99.8
83.08607	3.7
84.04486	4.9
85.02906	23.2
91.05494	10.8
93.07047	38.0
95.08613	25.8
97.06519	5.4
97.10176	4.2
98.22749	6.9
99.08085	6.6
102.05521	4.0
105.07025	28.7
107.08594	58.9
109.10155	25.3
118.06573	7.6
119.08588	39.7
121.10122	16.1
123.11704	20.9
125.09633	3.9
127.10376	4.1
127.11187	23.0
130.05008	27.3
133.10127	33.4
135.11682	100.0
136.11993	4.5
143.10703	25.9
147.11710	19.8
149.13298	6.2
159.08318	7.0
161.13203	16.1
163.14833	4.5
164.20854	3.2
167.07019	4.3
181.05002	4.9
191.07074	4.3
203.17940	60.5
204.18195	3.6
221.18987	60.4
222.19386	5.4
229.15961	3.6
239.20052	3.6
272.20135	23.5
290.21124	55.8
291.21448	3.6
300.10498	3.8
402.22968	4.7
419.20316	5.3
419.25333	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05518	7.7
57.07077	2.1
59.05001	1.0
59.64077	1.0
61.64679	1.3
67.05509	14.6
68.37868	1.1
69.03441	1.8
69.07075	9.3
69.24413	5.9
70.18094	1.3
71.04995	1.9
71.47677	0.9
73.93585	1.1
79.05489	14.6
81.07056	30.6
83.04989	4.0
83.08619	3.9
91.05477	12.6
93.07044	16.8
95.04973	4.0
95.08606	13.9
97.06500	1.8
97.10159	1.1
98.23538	2.1
105.07038	17.6
105.90675	0.9
107.04971	4.6
107.08589	9.9
109.06522	7.0
109.10144	6.3
111.08107	1.8
113.00024	10.0
115.05466	1.4
117.07027	4.1
119.08557	9.2
121.06512	6.8
121.10149	5.5
123.08095	2.8
123.11715	1.8
129.06973	1.4
131.08575	12.0
133.06483	2.1
133.10133	10.5
135.08051	2.9
135.11708	4.9
137.09683	2.2
143.08569	1.8
145.10110	9.9
147.08093	2.5
147.11649	6.3
149.09619	4.8
149.13295	2.2
151.11174	2.8
155.08598	1.3
157.10085	2.7
159.08061	2.9
159.11726	6.9
161.09636	1.9
161.13245	1.4
163.11256	4.8
169.02597	13.7
171.11687	2.4
173.09587	2.5
173.13190	4.6
175.11212	1.9
177.12703	1.4
183.11617	2.4
187.11237	2.0
187.14879	1.2
189.12744	1.3
191.14301	1.6
197.13266	1.5
201.12810	2.9
207.13841	2.4
215.14293	1.6
215.17918	1.2
219.13860	2.5
229.19574	1.7
231.17581	1.3
239.17949	2.8
247.20625	3.3
257.18964	11.0
258.19162	1.2
271.48416	1.1
275.20068	100.0
276.20361	4.6
293.21140	12.2
294.73288	1.0
404.16541	1.5
419.18756	8.9
419.27805	16.1
420.19235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62397	4.2
53.61664	5.5
55.01872	7.0
55.05510	47.6
65.03938	6.3
66.02427	4.0
67.05502	71.0
67.87191	5.1
69.07059	41.7
70.52945	4.6
70.53268	6.0
71.04977	6.8
72.70200	4.1
79.05489	66.9
81.07054	77.8
81.69800	5.5
83.04984	9.9
83.08613	40.0
85.06573	5.1
91.05479	92.2
91.29717	4.8
93.07037	65.9
95.04948	13.8
95.08595	56.0
97.06524	8.7
97.10146	9.3
105.04531	6.0
105.07027	69.3
107.04988	8.9
107.08590	29.2
109.06516	6.1
109.10168	12.3
111.08064	13.7
115.05489	6.0
117.07013	65.6
119.04925	7.0
119.08584	51.7
121.06514	5.4
121.10140	28.0
123.08065	7.9
125.09696	5.5
128.06183	11.6
129.07008	62.9
131.08562	100.0
133.06461	9.1
133.10117	26.2
135.08064	9.4
135.11685	18.4
137.09583	5.5
139.11211	8.4
141.07005	25.2
143.08554	47.8
145.06482	8.7
145.10117	35.9
147.08066	14.6
147.11720	13.6
149.09650	13.4
151.07610	5.9
155.08583	34.3
157.10109	23.6
159.08075	7.7
159.11700	31.1
161.09589	6.3
163.03905	17.9
163.11122	5.4
167.08524	7.8
169.10107	24.6
171.11690	13.1
173.09674	7.4
173.13239	7.4
175.09711	6.1
175.11154	5.9
177.12720	8.9
179.08618	5.7
181.10132	17.8
183.11717	15.7
185.13272	13.0
187.14850	6.5
189.12836	6.3
190.13548	36.4
193.10222	7.9
194.10912	5.5
195.11676	13.5
209.13396	6.1
211.14874	6.2
213.12799	7.7
219.11865	4.9
219.13925	5.9
221.13229	12.6
223.14781	22.8
227.14403	7.0
229.15776	5.4
233.15366	11.7
235.14825	4.8
239.14256	10.8
241.15874	7.2
253.15970	7.7
257.19012	6.4
271.16852	9.5
315.21155	5.1
323.23590	9.1
333.22040	16.5
341.24826	6.7
351.23196	51.8
369.24106	26.4
382.18143	5.4
387.25339	11.0
401.26648	30.9
402.27252	7.0
419.10321	8.3
419.22250	63.8
419.27963	24.8
444.06174	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2793
Annotation	12beta,16alpha,20-Trihydroxy-17-scalaren-19,20-olide
Peak:m/z	Relative Intensity
51.02373	1.9
55.01876	2.7
55.05513	20.8
57.07079	1.8
67.05505	28.4
69.07075	16.9
70.71044	2.3
71.04984	5.2
73.68002	1.4
77.03947	1.6
78.77496	1.6
79.05491	29.9
81.07056	31.6
82.80032	1.5
83.05000	2.3
83.08623	9.1
85.06553	2.9
91.05482	40.6
93.07044	27.9
95.04966	5.5
95.08604	18.2
97.06538	2.5
97.10168	6.1
103.05522	1.9
105.07027	33.4
107.04978	4.3
107.08594	14.9
109.06508	4.3
109.10165	7.6
111.08115	1.8
115.05453	4.4
116.06227	2.9
117.07014	33.4
119.08577	16.4
121.06506	6.6
121.10135	8.4
123.08052	3.4
123.11732	1.7
125.09621	4.2
128.06226	8.3
129.07002	28.9
130.07779	2.5
131.08563	50.5
133.06479	2.9
133.10143	14.3
135.08058	4.8
135.11697	3.8
135.70609	1.5
141.06995	7.4
142.07741	2.6
143.08557	27.3
145.06488	5.2
145.10136	23.5
145.45251	2.0
147.08035	4.7
147.11639	3.4
149.09610	4.6
155.08556	12.4
157.06531	1.8
157.10115	16.0
159.08076	2.6
159.11685	8.9
161.09650	1.8
167.08548	5.3
168.09323	1.8
169.10130	8.2
171.08156	2.2
171.11707	9.8
173.09663	2.2
173.13342	3.7
181.10101	6.6
183.11731	5.4
185.09586	1.7
185.13222	4.9
189.11206	1.8
195.11684	3.3
197.13281	4.2
199.14905	2.9
207.13771	2.0
209.13332	7.5
209.14989	1.5
213.16458	2.4
215.14447	2.0
221.13240	3.1
223.14844	3.6
227.14360	3.3
231.17401	8.6
233.15451	1.8
235.14789	3.6
241.15828	1.9
245.15399	3.9
259.16901	6.0
271.17047	2.8
273.18427	3.7
285.18555	2.4
337.25473	3.3
347.23602	8.0
355.26437	7.7
357.52383	1.6
365.24817	17.5
383.25775	51.8
384.26102	3.3
401.26862	100.0
402.27237	8.5
419.27914	4.8
419.39114	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3135
Annotation	Diisononyl phthalate
Peak:m/z	Relative Intensity
67.05509	1.3
69.07072	1.5
69.15364	3.6
69.15780	3.0
77.05857	1.0
78.13719	0.9
80.13158	1.0
81.07057	2.0
82.96177	1.0
91.05476	1.5
93.07029	1.7
95.08577	1.7
98.23423	2.8
109.06528	1.9
113.00022	3.1
121.10174	1.5
169.02606	4.4
187.01584	1.1
231.15161	1.0
235.42525	1.1
260.55807	1.2
276.88284	1.2
309.20438	10.6
372.84750	1.1
419.18732	4.8
419.31314	100.0
420.31641	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.7
69.76289	1.2
78.04698	1.7
79.05480	2.2
81.07051	1.0
91.05463	0.9
93.07037	0.9
95.04980	1.0
100.89727	0.4
106.04182	1.1
107.04961	4.0
109.06538	0.6
117.07012	1.5
121.06487	3.3
123.04418	3.7
124.05200	2.0
131.04965	0.7
133.06476	0.7
134.03618	0.7
135.04439	0.6
135.08032	0.6
136.05200	0.5
137.05975	0.8
139.57433	0.5
144.05659	0.6
145.06485	1.5
146.07231	4.3
147.08109	0.8
151.03906	1.1
151.07538	14.5
152.04660	1.7
161.05887	0.5
162.06790	1.2
165.05569	0.6
167.07034	100.0
168.07347	3.1
176.08296	0.6
177.05627	0.7
177.09102	18.2
178.09471	0.9
179.07031	1.8
181.08537	1.2
189.09120	1.3
191.07030	0.6
193.08638	1.0
195.06549	1.0
203.10664	1.0
205.08569	0.6
207.06525	3.3
209.08122	1.3
218.42719	0.5
218.77951	0.5
219.10262	0.5
221.08070	0.8
230.29131	0.6
237.11269	1.3
247.09700	0.9
261.09247	0.6
275.10675	1.3
276.11295	0.7
293.11646	0.8
303.10089	0.5
304.10687	0.7
307.13217	1.4
321.11249	0.8
325.14432	1.0
335.12753	2.0
353.13861	3.3
358.36401	0.5
367.15271	2.2
385.16428	31.4
386.16733	2.0
403.17538	16.0
404.17758	1.7
416.92493	0.5
421.21960	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05497	1.4
57.03410	0.5
57.07060	1.6
65.03948	0.7
67.05505	3.9
69.03424	3.9
69.07057	2.4
69.41187	2.0
71.04994	1.0
79.05488	7.2
81.03404	2.2
81.07053	100.0
82.07394	1.4
83.08567	0.5
85.02906	5.0
87.00833	2.4
87.04493	0.5
91.05484	0.8
93.07015	1.0
95.04964	0.6
95.08599	15.9
97.02882	5.0
98.22662	0.9
99.04454	1.8
105.01866	2.7
109.02878	0.7
109.10138	1.6
114.05599	0.4
122.09648	1.4
127.03914	7.8
131.08557	0.6
136.05157	0.5
137.13246	22.2
138.13617	0.6
145.04964	5.7
145.06181	0.5
145.06509	0.4
151.07529	5.9
159.02951	0.5
166.06108	0.7
169.70244	0.5
181.08647	2.6
201.03725	1.1
231.04994	4.5
239.99124	0.5
249.06044	3.8
385.20007	0.8
421.22073	4.0
425.52240	0.5
432.46542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28928	0.5
52.72837	0.5
61.69490	0.6
69.03410	0.7
69.07078	0.8
70.06590	2.5
71.36980	0.6
79.05482	0.6
85.02899	1.1
86.09711	5.8
91.05486	3.2
93.07027	0.9
93.50608	0.6
97.02885	0.6
98.22723	1.8
105.07031	6.0
107.08631	1.1
116.07075	2.5
117.07031	1.2
119.08582	100.0
120.08900	3.3
120.68845	0.7
121.06468	0.5
121.41005	0.6
131.08585	2.0
133.10139	4.6
135.11714	1.6
136.07596	1.5
136.10155	0.6
137.09630	1.0
147.08043	2.1
159.10504	1.0
159.11708	9.5
161.13258	54.7
162.13574	1.7
165.05400	0.8
177.12750	11.7
178.13103	1.0
182.08151	0.9
191.57838	0.6
205.12242	86.5
206.12633	3.0
223.13297	32.8
224.13618	0.7
241.14400	0.6
420.21152	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20367	1.0
53.03945	1.7
55.01871	2.6
55.05528	1.1
57.03430	2.8
61.02914	3.4
67.05477	1.9
69.03428	10.9
69.07053	1.9
70.53325	2.3
71.05005	1.8
73.02919	8.2
74.07065	0.9
79.05498	4.3
81.03428	1.9
81.07053	4.5
83.04977	2.3
85.02901	17.8
87.04489	2.4
90.48498	0.9
91.03941	1.1
91.05476	16.0
93.07035	10.4
94.32848	1.0
95.04980	3.7
95.08614	3.0
95.54477	1.0
97.02881	11.0
97.06528	2.3
99.04442	2.4
99.08105	2.7
105.07019	10.7
107.04947	2.1
107.08589	16.5
109.02885	1.9
109.06524	3.4
109.10139	2.6
111.08072	2.2
115.03934	4.3
116.15730	1.0
117.07016	4.4
119.04970	1.0
119.08578	6.4
121.06499	3.3
121.10136	8.1
123.08070	5.9
125.05990	4.0
125.09641	1.8
127.03927	3.5
128.06259	1.0
130.07799	3.8
131.08563	1.9
133.04967	3.4
133.06506	2.0
133.10146	1.2
135.08061	5.3
135.11682	19.5
135.12645	1.5
137.05995	3.1
137.09648	2.2
143.08580	1.5
145.04958	3.5
145.10114	21.2
147.04492	1.6
147.08075	1.8
149.05827	1.1
151.07547	9.3
151.11200	2.9
153.09064	6.2
153.12744	1.2
159.08060	1.4
159.11694	3.7
163.06029	1.6
163.11174	100.0
164.11559	3.7
165.09102	1.8
177.12727	6.1
187.11237	4.1
195.13831	6.0
205.12236	21.3
205.14069	1.8
218.94774	1.1
223.09723	1.9
223.13278	8.3
241.07150	1.2
267.94016	1.0
278.44394	1.0
347.81674	0.9
421.16800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.1
55.05531	1.9
57.03433	2.6
57.07071	3.5
65.03941	1.6
67.05508	11.6
69.03434	4.8
69.07065	3.1
71.04993	10.1
78.31152	1.2
79.05503	16.5
81.03414	3.1
81.07057	2.5
83.04993	2.4
85.02908	18.4
85.06548	84.7
91.05472	8.5
93.07050	13.0
95.04983	3.0
97.02908	5.5
97.06551	2.7
105.07035	11.7
107.04954	6.4
107.08604	13.5
108.05599	1.3
109.06543	3.7
109.10174	1.3
111.04446	2.4
111.08092	1.6
117.07040	4.1
119.08606	7.7
121.06509	4.7
121.10162	11.9
124.66602	1.1
125.06012	1.2
127.03936	3.5
129.07025	4.4
130.07793	1.4
131.08572	47.0
133.10146	1.9
135.08060	1.6
135.11713	4.1
137.05952	1.6
137.09647	5.4
139.07550	3.9
143.06972	1.5
145.04990	3.0
145.08980	2.1
145.10132	40.1
146.10426	1.7
147.08090	4.2
147.11703	1.3
149.09633	45.0
155.07022	1.3
161.09633	2.2
163.07545	1.9
163.11205	18.2
165.09119	4.3
166.08835	1.7
167.07019	1.6
167.10716	12.7
168.11032	1.3
169.08678	1.5
173.09657	4.6
179.10660	2.4
181.12354	1.3
191.10684	30.1
205.12245	9.9
209.11728	9.7
223.09917	2.2
223.13297	58.8
224.13754	2.5
241.14363	100.0
242.14719	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01881	2.4
55.05513	3.2
57.03432	3.9
59.05002	2.0
59.68316	1.1
61.02929	4.4
62.06091	1.6
67.05514	3.5
68.67859	1.5
69.03429	10.9
69.07087	1.3
69.59933	5.4
70.06606	2.3
71.04993	5.3
72.08166	1.7
73.02916	1.6
79.05494	5.1
81.03426	2.8
81.07082	4.1
83.04987	10.9
85.02908	29.8
85.06555	1.1
86.09738	2.0
87.04491	2.4
91.03935	1.2
91.05493	5.5
93.07040	6.9
94.04178	1.3
95.08624	5.7
97.02895	9.2
97.06538	6.1
99.04471	5.7
99.08145	1.7
101.02393	1.4
104.99220	1.9
105.07025	11.8
106.06564	15.8
107.08613	8.0
108.97957	1.2
109.02850	1.9
109.06518	6.0
109.10180	4.0
111.04457	1.8
111.08065	6.1
115.03974	2.6
117.07022	4.4
118.08627	1.5
119.04989	2.0
119.08570	15.2
121.06525	4.8
121.10146	29.8
122.03665	1.5
122.43911	1.2
123.08079	18.2
123.11716	1.5
125.06007	5.0
125.09650	12.4
127.03924	5.0
128.04776	1.2
129.07031	1.6
131.08539	2.0
133.10165	1.8
134.08110	2.0
135.07172	1.5
135.08041	7.6
135.11681	7.8
137.05981	31.2
137.09633	5.0
139.07564	3.6
139.11200	3.4
141.09145	3.2
143.08539	1.7
144.09370	1.7
145.04982	5.6
145.10136	20.4
147.08028	12.6
149.05983	3.0
149.09645	2.8
149.13341	1.6
151.07574	4.1
152.03197	35.2
153.09142	5.7
158.11761	1.7
159.11678	6.8
161.09663	3.5
161.13254	1.3
162.10393	2.0
163.07521	9.4
163.11189	42.9
165.09109	4.3
167.07045	11.8
167.10681	1.8
171.09200	3.5
177.05524	1.8
177.12801	5.7
179.07178	1.5
179.14314	2.6
181.12222	17.2
183.10184	3.5
187.05806	5.1
187.11145	8.0
191.07068	1.8
192.07378	1.9
195.13878	2.0
198.11331	3.7
205.12248	100.0
206.12639	2.7
213.13597	4.4
217.09747	2.5
223.13298	44.8
227.09142	1.5
239.07953	1.4
241.14340	29.2
251.09203	3.3
251.12640	3.5
257.09006	10.2
275.08728	1.6
303.19861	2.1
329.72479	1.5
357.37692	1.5
359.10950	3.4
420.18918	2.1
421.15750	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
69.03423	6.4
69.92348	3.4
69.92683	4.2
70.06595	8.8
79.05501	3.3
81.03370	2.8
83.04991	6.9
84.04533	2.7
84.08144	3.7
85.02895	7.5
86.09708	2.4
87.10036	2.3
91.05474	7.1
93.07045	5.3
95.08627	4.9
97.02898	5.6
97.64346	2.4
98.02719	2.2
99.04472	3.1
103.26483	2.2
104.99253	3.9
105.07022	5.7
106.06548	45.3
107.04952	3.3
107.08588	10.9
109.02930	2.0
117.07000	6.3
119.08567	35.2
121.06470	2.4
121.10165	6.1
123.08065	4.7
127.03939	2.2
128.04773	3.3
129.07088	2.3
131.08551	7.0
135.08061	9.8
135.11678	11.6
137.05972	20.3
137.09644	9.7
140.06859	3.3
144.09346	4.9
145.10049	5.1
147.04393	6.1
147.08029	5.8
147.52623	2.2
149.13223	2.9
152.03180	100.0
153.09090	5.8
158.68602	2.3
159.08072	2.9
159.11674	36.7
163.03842	2.7
163.11185	16.7
165.09145	5.9
171.09116	11.5
172.07632	3.6
177.12730	25.4
187.05815	15.5
187.11189	8.7
195.13789	7.1
205.12244	43.4
210.02658	2.3
217.09778	4.8
223.13274	42.9
224.13683	2.9
231.72154	2.1
235.10739	4.3
239.08057	2.1
241.14363	9.0
257.08969	35.8
275.08813	5.1
292.11575	2.3
319.36050	2.3
338.96735	4.4
359.10849	9.0
420.12466	4.0
420.19351	3.4
420.24390	2.9
421.11014	1.8
421.15829	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2382
Annotation	Aranorosin
Peak:m/z	Relative Intensity
54.49736	0.3
55.01876	0.3
55.05508	0.7
57.03429	1.5
65.22179	0.3
67.05518	0.5
69.07071	0.4
69.19201	1.0
69.19611	0.9
71.01347	0.8
74.43168	0.3
79.05491	0.7
81.03405	0.4
81.07048	1.2
85.02903	25.5
89.00605	0.4
89.12044	0.3
91.05469	0.9
92.14743	0.4
93.07028	0.3
95.08599	0.6
96.44572	0.3
103.03944	0.6
106.88671	0.4
107.04997	0.4
107.07336	0.4
113.02375	1.5
117.05756	1.2
118.06546	10.7
119.08561	0.6
120.08074	0.4
121.06475	0.3
130.06516	1.6
131.03403	0.9
131.07306	2.4
132.08089	6.5
133.08861	1.4
134.09659	1.0
144.08086	1.3
144.40233	0.3
145.08842	1.0
146.09645	4.5
148.11156	0.5
149.09602	0.3
158.09627	1.4
159.08360	1.5
160.11244	2.3
161.05804	0.3
162.09145	0.4
172.11212	0.5
173.11983	0.4
174.12747	0.6
175.45390	0.4
176.10597	0.5
177.09074	0.6
188.14388	0.7
191.08173	3.9
193.59953	0.4
223.13179	0.4
239.52054	0.4
241.14494	0.5
244.20638	2.4
262.10776	0.6
272.20071	37.5
273.20456	2.5
290.21115	25.2
291.21442	1.6
295.29468	0.4
316.22757	1.1
330.20816	0.8
342.20450	0.4
360.21680	0.8
384.21588	0.7
402.17682	0.7
402.22757	15.1
403.22980	1.1
420.23727	100.0
421.17767	2.1
421.23984	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2385
Annotation	U 62162
Peak:m/z	Relative Intensity
55.05511	1.2
56.96555	0.6
57.03425	2.4
67.05518	1.5
69.07047	1.0
71.01341	0.8
71.04989	0.7
79.05484	1.5
81.07049	2.0
85.02910	25.0
89.11526	0.6
91.05471	1.3
93.07039	1.4
95.08587	0.8
99.08095	0.7
106.06573	5.1
107.08592	1.3
108.07999	0.6
109.10169	0.6
113.02340	3.0
117.05784	1.6
118.06550	8.2
119.07314	0.7
119.08602	0.6
120.08115	0.7
121.10131	1.0
130.06525	1.0
131.07321	5.5
131.08260	0.8
132.08121	3.7
133.10136	0.6
134.09650	2.2
135.04454	0.8
135.11676	0.7
137.05991	0.6
144.08115	1.4
145.08876	1.1
145.10104	0.7
146.09644	7.1
148.11230	1.1
151.07491	1.1
157.10301	0.5
160.11211	8.7
167.07054	1.0
171.11833	0.6
172.11258	1.0
174.12775	1.5
244.20593	8.8
248.09285	0.7
262.10745	1.1
269.08057	1.0
272.20102	50.3
273.20435	2.9
276.12314	1.7
290.21149	13.0
316.22751	2.1
330.20624	1.4
338.97028	0.7
342.20844	1.4
350.28265	0.6
357.07721	0.6
360.21689	2.4
374.17551	0.7
374.23267	1.9
384.21786	2.9
397.05759	0.8
402.22748	40.1
403.22855	2.9
420.23779	100.0
421.24060	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05509	3.1
57.03432	1.1
57.07069	2.2
65.03930	0.9
67.05502	7.1
69.03424	2.0
69.07059	4.6
69.38901	0.9
69.39274	2.4
70.06598	0.6
72.00665	0.5
72.08155	0.6
79.05489	8.9
81.03401	0.9
81.07053	100.0
82.07384	2.0
83.08614	1.8
85.02901	4.3
85.06548	4.0
87.00841	1.1
91.05474	1.3
93.07021	4.0
95.04952	1.1
95.08602	23.8
96.08945	0.6
96.89114	0.5
97.02865	1.3
97.10145	1.2
98.23469	1.1
99.04445	0.7
99.08096	5.6
104.99242	1.4
105.01871	2.5
105.04561	0.7
105.07034	1.0
107.04977	0.8
107.08566	3.5
109.02898	0.8
109.10158	8.2
111.11769	0.8
113.09641	1.1
121.06560	0.6
121.10166	2.2
123.11701	6.1
127.03902	3.5
133.10037	0.7
135.11708	3.2
136.05154	0.6
137.13242	15.9
138.13548	0.8
139.61476	0.5
145.04977	2.8
149.13254	4.1
151.07526	6.4
156.87515	0.6
158.27104	0.5
159.02940	0.5
163.14836	0.7
165.09108	0.7
166.06203	0.9
177.09132	0.7
181.08618	2.3
201.03668	1.0
205.19489	2.6
223.20534	4.5
231.04996	1.2
235.17024	0.9
326.54630	0.6
335.17993	0.5
338.96783	1.2
356.98071	0.9
370.17627	0.8
406.51419	0.5
410.09015	0.5
420.20444	1.2
420.30945	0.6
421.22003	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
67.05508	1.5
69.07070	0.8
69.21603	2.8
70.06575	0.5
71.05014	0.5
79.05504	1.3
80.11807	0.4
80.50788	0.4
81.03416	0.5
81.07054	1.5
82.60763	0.4
83.08614	0.9
91.05484	1.2
93.07040	1.4
95.04967	0.5
95.08604	1.2
97.06541	0.5
98.97575	0.8
100.33639	0.4
104.99290	3.0
105.07047	0.9
107.04987	0.5
107.08590	1.1
109.10189	0.5
113.00047	0.5
117.06989	1.0
119.08585	0.8
121.10157	0.8
131.08582	0.5
133.06512	0.5
133.10152	0.7
147.07974	0.5
149.09549	0.5
151.07532	3.3
157.10341	0.5
166.06209	0.6
181.08592	1.8
189.11411	0.4
233.15440	0.8
262.98187	1.0
267.91812	0.5
274.97418	0.9
297.13086	2.8
305.08124	1.9
309.20648	0.8
338.96848	2.1
356.97989	0.7
361.06955	3.3
371.05231	2.5
373.06851	0.8
385.23807	1.8
403.07916	5.9
403.24612	1.0
421.08942	100.0
421.21530	14.8
422.09268	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24503	0.8
60.96247	0.8
61.99816	1.0
69.90933	1.6
69.91298	1.9
92.41940	0.9
104.99256	1.5
119.48375	0.8
135.04440	1.0
150.03101	1.1
165.05486	1.5
270.40674	0.8
335.72919	0.9
338.96698	2.6
361.06781	10.5
371.05225	1.4
389.06235	1.4
403.08249	1.5
418.95844	1.0
421.08920	100.0
421.20663	4.1
422.09329	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13784	0.3
55.05509	0.7
67.05502	0.8
67.70869	0.3
69.07091	0.5
69.60851	1.3
70.38922	0.3
77.59167	0.3
79.05516	0.8
81.07081	0.4
91.05488	0.5
93.07030	0.5
95.04989	0.4
95.08615	0.6
97.10205	0.4
98.23424	0.7
105.07065	0.5
109.10157	0.4
119.08551	0.5
120.06033	0.4
122.22914	0.4
122.97735	0.4
125.09610	0.4
147.08215	0.4
151.07553	1.4
181.08569	0.7
186.55290	0.3
232.45325	0.4
233.15459	0.6
259.13348	0.3
306.05280	0.4
333.93872	0.3
335.18307	0.7
335.48196	0.4
385.23898	1.7
391.08087	0.6
403.24686	0.7
421.08957	100.0
421.21521	10.3
422.09222	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29004	0.7
55.05499	1.9
60.29217	0.7
67.05495	2.9
69.71371	2.4
70.06586	1.1
79.05477	1.6
81.07067	2.1
83.08607	1.2
91.05479	1.4
93.07035	1.7
95.04980	1.1
95.08606	1.0
97.10149	1.0
104.99251	3.3
105.07024	1.6
107.04937	1.0
109.10131	1.1
121.06614	0.8
121.10075	0.9
129.07027	0.9
131.04808	0.7
131.08577	1.0
151.07547	9.6
152.07948	1.2
154.04121	0.7
157.10152	0.9
159.08247	0.7
166.06223	1.0
181.08595	5.2
203.05287	2.4
243.07794	0.8
261.18253	2.3
262.98096	1.2
267.07568	0.8
274.01770	0.7
274.97525	1.7
289.11847	1.0
292.98230	0.9
297.08673	0.9
338.96762	4.8
356.97913	0.8
357.10648	1.2
385.23724	1.5
389.13367	5.0
403.24734	1.3
421.21912	100.0
422.22244	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
52.75460	0.1
53.03957	0.1
55.01862	0.1
55.49154	0.1
60.92927	0.1
64.03183	0.1
65.03909	0.5
66.04724	0.2
67.05467	0.3
69.51994	0.5
75.04484	0.4
77.03944	0.3
78.04700	0.7
79.05495	1.1
80.06261	0.8
81.07053	0.2
89.03918	0.3
90.04697	0.9
91.05479	4.3
92.05782	0.1
92.06275	0.1
93.03416	0.2
93.07040	0.4
94.04176	0.2
95.04968	1.0
103.05466	0.7
105.03399	0.5
105.04501	0.1
105.05531	0.2
105.07013	1.1
106.04182	1.1
107.04951	7.9
108.05034	0.2
108.05746	4.0
109.06563	0.8
111.04550	0.2
115.05459	0.6
117.07012	0.8
118.04178	0.7
119.04965	0.4
119.06046	0.2
119.08571	0.2
120.05714	0.7
121.02836	0.2
121.06495	1.9
122.03635	0.2
122.07269	0.2
123.04409	0.8
123.08092	0.8
124.05199	0.2
128.06201	0.2
129.07040	0.5
131.04918	1.1
131.08629	0.2
132.05634	0.2
133.06480	1.5
134.07336	0.1
135.04417	2.6
135.08055	1.2
136.05197	5.5
137.05977	3.0
138.06764	1.7
139.07533	0.4
141.07030	0.4
142.07744	0.2
143.04884	0.1
143.08559	0.3
144.05757	0.3
145.06480	1.3
146.07260	1.4
147.04404	0.3
147.08044	1.9
148.05183	7.5
148.08659	0.2
149.06042	0.6
149.09625	0.3
150.06752	1.1
151.07538	100.0
152.07880	2.6
153.05402	0.2
153.09044	0.3
157.06474	0.4
158.07265	0.6
159.04443	0.2
159.08051	1.2
160.05171	0.2
160.08838	0.9
161.05991	2.6
161.09598	0.7
162.06744	0.5
163.07542	3.9
164.08347	0.7
165.05453	1.0
165.09106	4.6
166.06255	9.1
167.07051	2.3
168.07751	0.3
171.08096	0.8
172.08873	1.0
173.05966	0.9
173.09572	0.6
174.06679	0.6
174.10393	0.3
175.07536	1.5
176.08324	2.6
177.05682	0.2
177.09105	8.0
178.09697	0.5
179.06946	0.7
179.10663	1.5
180.07832	0.8
181.08589	53.4
182.08949	1.7
185.05914	0.1
185.09631	0.3
186.06743	0.2
186.10403	1.0
187.07515	1.6
188.08318	2.5
189.09097	3.2
190.09882	1.3
191.07053	0.6
191.10658	4.0
192.07793	0.5
192.11148	0.2
193.08585	2.3
194.09361	0.5
195.10153	1.9
200.08311	0.3
201.09103	1.5
202.09885	2.3
203.06993	0.5
203.10666	4.3
204.07906	0.2
204.11301	0.2
205.08659	0.7
205.12265	0.4
206.09424	0.8
207.10155	2.7
209.11717	0.4
215.10669	0.3
216.11458	1.7
217.08659	0.4
217.12225	3.9
218.09396	0.4
219.10133	0.7
221.11714	1.9
232.10934	0.3
233.11739	1.3
235.13249	0.4
247.13315	2.1
251.12723	0.8
265.14313	0.3
275.10556	0.2
311.16483	0.1
321.14734	0.2
322.15564	0.2
323.16193	0.2
324.13321	0.1
338.15134	0.2
339.15826	0.5
353.17471	0.8
354.18250	2.7
355.18845	0.4
370.17734	11.9
371.18079	0.7
385.20056	7.1
385.24185	0.1
386.20230	0.5
403.21100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.5
66.04711	0.3
69.11387	0.3
69.52202	1.3
75.04470	0.5
78.04699	0.4
79.05489	1.4
80.06277	0.9
90.04691	1.0
91.05475	4.4
93.07051	0.7
93.69991	0.3
95.04958	1.2
103.05450	0.9
105.03381	0.6
105.07012	0.9
106.04163	0.9
107.04960	8.4
108.05752	4.0
109.06541	0.7
115.05463	0.4
117.06977	0.4
118.04189	0.5
120.05705	0.7
121.06524	2.1
123.04435	0.8
123.08121	0.4
129.07016	0.3
131.04933	0.9
131.08514	0.4
133.06496	1.8
135.04424	2.9
135.08025	1.1
136.05185	5.6
137.05995	3.6
138.06749	1.5
139.07564	0.7
145.06456	1.3
146.07265	0.9
147.04422	0.4
147.08066	1.6
148.05190	6.8
149.05916	0.8
150.06787	0.9
151.03889	1.5
151.07536	100.0
152.07877	2.7
157.06480	0.6
158.07211	0.4
159.08044	1.1
160.08823	1.0
161.05986	3.1
161.09636	0.5
162.06659	0.5
163.07538	3.5
164.08234	0.9
165.05487	1.1
165.09106	4.3
166.06252	7.8
167.07050	2.6
168.07608	0.4
171.08002	0.7
172.08755	0.9
173.06018	0.9
173.09586	0.8
174.06770	0.8
175.07550	1.4
176.08321	2.7
177.09119	7.3
179.06982	0.4
179.10713	1.4
180.07802	0.5
181.08591	51.4
182.08946	1.6
186.10414	0.7
187.07516	1.5
188.08279	2.3
189.09134	3.6
190.09868	1.2
191.07118	0.4
191.10634	3.2
192.11014	0.4
193.08614	2.5
194.09396	0.4
195.10146	2.2
201.09067	1.4
202.09866	2.1
203.10654	4.0
205.08612	0.8
206.09427	0.4
207.10120	2.7
215.10646	0.6
216.11491	1.3
217.08743	0.4
217.12238	5.5
218.12642	0.5
219.10094	0.7
221.11758	2.1
233.11688	1.9
235.13243	0.5
247.13359	2.0
251.12848	0.8
265.14218	0.3
312.61615	0.4
322.15494	0.4
338.15109	0.4
339.15768	0.5
340.83029	0.4
353.17529	1.4
354.18228	3.8
358.44888	0.4
370.17728	11.7
371.17966	1.0
385.20056	8.2
385.24957	0.4
386.20279	1.0
403.21066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86854	0.9
55.05515	1.2
69.34079	4.0
79.05505	2.6
81.07059	1.7
82.68047	1.1
85.02906	1.0
91.05482	5.5
93.07017	1.4
95.04967	2.0
95.08600	1.0
97.06530	2.1
99.08094	1.8
102.87080	0.9
103.05460	1.0
105.07030	1.4
107.04964	6.7
108.05738	3.8
109.06543	1.3
117.07065	1.3
119.08596	1.1
121.06494	2.8
123.04502	0.8
123.08082	1.6
130.05051	1.7
131.04965	0.9
133.06471	1.8
135.04449	2.9
136.05205	5.2
137.05986	2.7
138.06783	1.6
145.06487	2.4
146.07254	2.1
147.08047	1.9
148.05211	6.5
150.06744	1.2
151.07547	100.0
152.07899	2.1
158.83202	0.9
159.08110	1.6
160.08769	1.0
161.06032	4.0
161.09555	1.0
163.07532	4.0
165.05508	1.2
165.09123	5.3
166.06232	6.9
167.07051	3.2
171.08067	1.0
176.08398	2.9
177.05263	0.8
177.09100	7.7
179.10696	1.7
181.08604	52.1
182.08974	2.1
187.07512	1.8
188.08344	2.3
189.09117	2.3
190.09764	1.0
191.07004	1.1
191.10680	4.4
193.08601	1.6
195.10201	1.8
201.09108	1.6
202.09903	1.8
203.10655	3.9
205.08548	1.2
207.10175	2.1
215.07135	1.0
216.11523	1.5
217.12279	4.8
218.09476	0.8
221.11768	1.5
233.11752	1.5
247.13264	2.3
251.12749	1.1
259.09729	2.6
260.67242	0.9
273.20551	1.0
274.20642	1.1
292.21991	1.0
353.17416	1.4
354.18179	2.6
370.17822	11.8
385.20074	7.1
386.20520	1.4
421.21262	5.1
421.26535	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84172	7.3
55.05507	17.5
67.05502	13.3
69.64828	29.2
79.05489	10.8
80.20515	7.4
81.07048	25.4
89.06055	7.6
91.05477	16.8
93.07021	21.3
95.08587	24.2
102.50385	7.1
104.99249	13.4
105.07014	14.0
119.08574	18.4
121.10087	8.8
131.45468	8.0
145.10066	13.6
161.13306	13.5
166.94212	7.6
229.35190	9.0
277.20868	10.9
341.26575	68.9
421.23724	100.0
421.29208	14.3
445.65619	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2559
Annotation	Arg Val Phe
Peak:m/z	Relative Intensity
53.31713	0.5
67.05496	0.5
67.44466	0.5
71.47009	0.6
93.07028	0.8
105.07043	0.5
119.08597	0.5
151.07524	0.7
267.37720	0.5
361.35870	0.5
373.10959	1.3
393.25922	1.9
403.15305	3.6
421.25604	100.0
422.25916	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.4
57.03441	1.0
60.08160	5.7
65.03938	1.1
67.03907	1.7
67.04243	18.4
67.05477	1.4
69.03442	1.0
69.43691	3.7
70.06580	1.4
71.04988	1.7
71.34145	0.9
79.05488	1.7
81.03400	1.5
81.07047	1.2
82.02945	1.2
83.04977	7.8
84.04504	1.2
85.02899	3.8
86.00661	1.3
91.05464	3.6
95.02294	0.9
95.04952	2.3
95.06086	3.0
98.00619	2.7
105.07014	4.1
111.04422	1.7
111.05560	4.1
113.01705	10.4
115.03232	1.1
117.07037	1.7
119.08568	7.1
121.02912	1.1
121.06463	1.6
123.04424	2.1
125.01698	31.9
125.05958	1.8
126.02535	5.6
127.03235	11.3
127.03914	1.0
129.01216	1.6
129.06984	4.7
133.02834	2.2
133.10129	1.8
134.03590	1.0
135.02852	0.9
135.04468	2.0
139.05002	2.4
141.01184	6.2
142.01968	5.0
143.02721	15.9
143.08560	3.9
147.08029	10.9
149.60060	1.0
151.03928	1.6
152.03143	1.8
153.07007	1.1
161.02330	3.2
161.09602	3.6
163.03896	15.0
163.07587	1.0
165.00056	1.4
165.09111	2.5
166.00890	1.2
169.04950	4.9
169.34712	1.0
189.09055	4.8
192.99553	4.9
195.02248	1.1
195.06462	1.1
199.06374	1.2
207.10147	20.6
225.07689	1.4
225.11226	8.4
237.02965	1.0
240.03329	1.1
243.02112	2.0
243.08572	3.3
243.12189	1.2
246.04559	1.4
247.05371	8.4
248.73405	1.0
257.03787	2.6
259.05341	7.7
260.10394	1.3
269.31747	0.9
271.01801	1.0
275.04788	12.8
283.14706	1.0
285.03238	3.1
287.04788	20.8
288.05063	1.4
289.02725	2.7
303.04327	49.0
304.04654	2.0
313.02673	3.9
319.07492	10.8
331.03891	1.8
335.06934	66.0
336.07297	4.1
348.72324	1.0
363.06427	100.0
364.06787	6.4
422.13678	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
55.05510	1.8
56.96567	2.2
57.03438	15.5
58.26944	1.2
59.04986	4.6
59.78809	1.4
60.04519	1.6
61.02911	2.4
67.05470	2.9
69.03426	68.8
69.74972	3.5
70.06592	7.8
73.02926	2.7
75.04490	2.4
81.03415	3.4
81.07051	2.5
83.04993	4.0
83.93111	1.8
84.04491	1.8
84.08131	3.0
85.02899	51.8
86.09718	2.3
87.04461	51.7
91.05475	4.3
93.07048	4.5
95.04952	3.9
95.08603	3.3
95.35523	1.8
97.02890	54.1
97.06527	4.1
98.97645	2.0
99.04434	3.7
105.07020	4.3
107.04922	2.1
107.08578	3.0
109.02908	3.5
109.06525	2.9
109.10202	2.0
111.04452	3.6
115.03925	84.3
116.04287	2.1
119.08601	4.2
120.08123	3.4
121.06504	11.3
123.08071	3.8
125.01674	2.4
127.03889	8.0
133.04959	100.0
133.10104	3.0
134.05325	2.4
135.04404	3.1
135.08084	1.9
137.09595	1.7
145.04961	14.3
147.04420	2.8
147.08037	3.4
150.07619	7.2
151.03882	1.8
153.05423	1.6
159.11649	1.6
161.09573	1.9
163.06061	3.5
163.07602	2.1
164.45688	1.6
165.09109	7.2
165.12738	1.8
169.04990	2.6
177.05466	7.2
181.08554	4.5
183.06670	1.9
189.09242	2.4
189.12808	2.1
207.10121	4.8
207.13846	6.0
212.03412	2.4
223.06259	1.8
225.07753	2.0
225.11139	8.9
225.14935	3.9
241.07199	3.4
241.09654	2.7
243.12296	4.3
243.15862	4.2
247.04277	4.9
247.64685	1.7
259.08127	3.7
267.08984	4.1
277.09259	2.0
285.10037	2.7
287.04794	2.8
295.10324	2.3
319.07471	3.4
378.15073	1.7
404.14920	4.0
421.25110	1.6
422.15982	7.9
422.26535	1.8
423.08447	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.9
59.92199	2.3
67.04250	5.2
67.05502	8.5
69.03435	3.3
69.51657	9.3
70.06575	2.9
71.04968	5.3
78.04755	1.8
79.05490	5.1
81.03381	2.4
83.04984	42.1
84.08153	3.5
85.02898	8.4
91.05473	14.9
93.07031	5.0
95.04966	9.0
96.39705	2.1
97.02880	4.4
97.06543	3.3
98.22734	3.3
98.97578	2.6
105.07023	13.6
106.06541	9.0
107.06923	2.6
109.02853	3.1
117.07029	9.5
119.08573	31.3
120.08124	4.9
121.02869	3.3
123.04399	3.5
123.08015	2.5
125.01676	11.2
127.03247	4.6
128.06279	4.3
129.07011	18.6
131.08601	2.6
133.10120	9.2
137.05960	2.9
141.05449	2.4
143.02704	4.8
143.08588	19.4
145.04967	3.1
145.10110	2.6
147.04335	2.7
147.08047	44.6
152.03175	14.2
153.03532	5.8
153.07021	5.8
161.09662	17.3
163.03928	3.6
163.07529	2.5
163.24315	2.1
165.05418	4.4
165.09091	9.2
171.08076	6.0
172.09552	2.7
177.05495	2.3
179.10594	3.7
189.09108	24.0
195.02205	2.2
207.10162	100.0
207.13535	3.5
208.10602	4.9
223.37769	2.3
225.11201	37.4
225.14787	5.9
275.04779	4.2
287.04831	6.0
303.04324	12.5
319.07452	2.8
335.06943	24.7
360.10864	2.8
363.06384	35.4
422.15585	7.8
423.16006	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.05518	7.4
67.05502	12.8
69.03425	12.1
69.07085	5.9
69.74010	4.2
69.74378	4.7
71.04980	7.4
79.05489	18.5
81.03414	5.6
81.07056	18.4
82.64657	2.6
83.04969	5.5
85.02900	22.1
85.06549	3.3
86.09711	3.1
87.00832	5.1
88.07656	2.3
91.05459	11.1
93.07043	16.8
95.04954	7.3
95.08607	11.9
97.02899	8.5
97.06548	7.8
99.04455	10.2
104.07114	3.2
105.01878	4.3
105.07021	13.1
107.04952	28.1
107.08613	8.7
109.02898	8.4
109.06527	4.7
109.10149	28.4
111.04434	4.8
113.05996	2.3
119.08546	12.9
120.08109	4.1
121.06519	3.8
121.10141	18.4
123.08080	6.4
125.05997	4.5
127.03927	9.7
128.06226	4.9
129.06993	2.8
131.04898	3.4
131.08607	3.9
133.06490	3.9
133.10126	13.7
133.63304	2.2
135.08031	4.1
135.76309	2.3
137.05984	4.5
137.09610	52.7
138.10042	2.4
139.11195	9.3
141.97498	2.3
143.07083	2.8
143.08548	14.3
145.10129	3.6
147.08049	22.5
147.11697	2.6
149.09615	5.2
151.11066	2.6
157.10132	2.6
159.08109	3.6
160.07472	2.4
161.09619	85.9
163.11180	7.5
165.09114	89.4
166.09547	4.5
167.03510	2.7
175.11269	2.6
179.10693	11.0
189.08986	13.0
189.12648	2.6
191.38028	2.7
207.10167	100.0
207.13678	11.2
208.10555	3.2
225.11218	55.4
225.14679	17.9
226.11609	4.8
261.07425	12.4
263.12830	5.3
285.09506	2.8
289.14246	3.0
297.13660	2.4
307.15329	5.4
333.13498	2.6
351.14355	3.7
369.15335	8.5
376.22287	3.6
422.22662	11.5
423.12570	11.7
423.17249	2.6
423.19778	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.7
55.01884	3.8
55.05527	9.4
67.05506	22.2
68.53883	2.7
69.03436	5.2
69.07067	4.7
71.06989	6.3
77.69508	2.6
79.05497	12.4
81.03427	12.2
81.07059	15.7
85.02924	4.2
91.05491	20.9
93.07043	17.7
95.01325	49.4
95.04977	7.6
95.08604	8.5
97.06520	4.6
105.07037	17.6
106.26184	3.0
107.04969	8.9
107.08556	6.6
109.02879	5.9
109.10178	8.3
117.07074	6.2
119.04979	2.8
119.08569	10.9
121.02840	5.1
121.06519	5.1
121.10169	6.1
123.04443	6.7
125.02365	3.2
125.06072	3.2
127.03938	3.1
129.07024	7.5
131.04974	5.2
131.08582	9.1
133.06490	6.6
133.10146	9.7
135.04466	7.1
135.08113	4.5
135.89243	2.8
136.06274	3.0
137.05980	5.2
141.06999	4.6
143.08595	6.4
145.06519	6.8
145.10164	4.9
147.04395	4.1
147.11668	7.0
149.06013	4.3
151.03885	3.5
151.07509	4.3
151.11221	4.7
157.10143	5.5
159.04379	4.2
161.05984	9.3
163.03908	6.9
169.10098	3.6
171.11688	3.9
173.05923	6.4
175.03909	4.6
175.07625	2.9
175.11151	5.0
177.12767	11.0
199.11259	4.2
215.14404	3.3
217.12250	4.0
225.14964	8.2
233.11792	4.3
243.10277	3.7
261.14862	5.0
271.13278	19.8
287.12701	5.6
289.14368	69.0
290.14789	3.6
297.13434	5.0
305.13947	8.4
307.15436	13.3
315.12274	6.1
317.29758	3.0
323.15036	6.5
325.16318	3.4
333.13318	100.0
334.13617	9.2
351.14294	31.6
369.15567	17.8
376.88516	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05500	5.8
57.03421	1.7
59.29648	1.6
67.05492	9.5
69.03423	7.0
69.07057	5.0
70.06582	6.4
70.37022	4.1
71.05000	4.1
72.08159	3.8
78.06408	1.7
79.05500	18.4
81.03401	3.6
81.07048	17.3
83.04974	4.4
85.02909	6.1
86.06071	3.6
86.09702	14.3
87.10041	4.0
91.05479	5.7
93.07024	9.1
95.04955	8.3
95.08602	6.5
97.02892	7.1
97.06504	8.4
98.22765	1.8
99.04447	9.9
104.07122	3.5
105.07011	14.2
107.04946	22.8
107.08585	6.5
109.02854	2.0
109.06503	4.7
109.10153	30.8
111.04454	3.1
113.09584	2.4
116.07091	6.4
119.08574	17.5
121.06498	3.1
121.10131	11.4
123.04408	3.0
123.08054	7.5
125.06012	7.3
127.03864	2.2
128.06221	3.6
129.06989	4.0
133.06509	3.0
133.10107	13.3
137.09610	54.5
139.11192	2.7
143.07016	2.8
143.07471	2.3
143.08540	16.6
145.06570	1.7
145.10146	5.9
146.07204	1.9
147.08026	23.9
147.11674	6.5
156.00549	1.8
161.09612	92.8
161.13298	5.7
162.09988	3.6
163.11209	6.4
165.09109	86.0
165.12759	5.0
166.09488	2.9
171.07968	2.6
176.26234	2.0
179.10658	9.2
179.14310	2.9
183.10150	2.0
189.09070	15.3
189.12717	4.6
192.10045	2.3
193.09615	1.9
197.11734	4.0
207.10158	100.0
207.13817	7.7
208.10512	2.8
217.12242	2.2
225.11198	54.6
225.14720	12.0
226.11575	2.5
243.12213	3.1
243.15977	5.1
267.12314	2.9
289.14417	2.9
309.13290	2.8
331.24463	2.1
376.17462	3.7
422.12045	4.3
422.22272	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.4
57.03423	5.7
57.07066	4.4
61.02914	6.6
66.68663	4.3
67.05499	15.9
69.03423	12.2
69.07043	5.0
69.31712	4.4
69.97958	10.3
71.04979	13.3
79.05470	7.6
81.03407	8.2
81.07047	16.1
83.04984	12.8
85.02910	33.0
86.09677	5.5
87.04463	4.9
90.55344	4.1
91.05453	7.7
93.07048	8.4
95.04974	30.5
95.08600	19.5
97.02896	8.3
97.06523	14.1
99.04442	38.3
105.07012	21.0
107.08598	32.1
109.06507	25.0
109.10156	50.6
111.08067	8.9
113.05980	5.2
113.26667	4.8
117.05500	7.2
119.08598	29.2
121.10143	33.9
123.08054	18.8
123.11755	6.0
131.08566	10.8
133.10141	10.6
135.08041	4.8
135.11693	9.6
137.09645	24.3
137.13243	6.9
143.08527	6.3
145.10121	17.1
147.07980	4.5
147.11674	47.9
149.09605	35.1
151.07497	4.8
153.09099	9.4
155.10606	25.9
156.09383	6.1
159.11594	6.5
161.13269	23.5
163.11159	12.4
165.12732	27.4
167.10623	5.1
169.08560	6.1
169.12238	17.3
171.11664	17.1
179.14226	5.0
189.12727	27.9
207.13792	45.2
214.25500	4.6
225.11270	6.6
225.14851	51.9
243.15910	100.0
301.11835	16.6
404.14801	4.7
422.23672	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
54.18018	0.8
55.01864	1.2
55.05513	2.0
57.03424	4.0
61.02919	2.7
62.96260	0.9
67.05505	1.4
68.05017	2.2
69.03436	15.9
69.07058	1.2
70.06599	1.7
70.15782	2.4
71.05016	2.0
72.04516	3.5
73.02923	3.1
74.06087	11.1
79.05518	1.4
81.03435	4.9
81.07050	1.1
82.06570	2.9
83.01331	0.9
84.08147	1.2
85.02911	27.1
85.06535	2.4
87.04469	4.4
91.03947	1.6
91.05455	4.9
92.05805	1.2
93.07033	1.4
95.04981	1.0
95.08597	2.2
97.02901	13.7
97.06542	1.5
98.06049	7.6
98.22671	0.9
99.04447	3.5
105.07022	2.9
107.08599	4.6
109.02890	3.8
109.06532	1.8
109.10174	1.3
110.06058	1.9
112.07592	3.2
115.03928	2.8
116.07118	0.9
119.04892	0.8
119.08560	4.1
121.10177	4.4
127.03931	6.6
128.07112	8.3
130.08647	2.1
131.08577	2.5
133.04977	1.5
133.10104	2.1
135.08075	3.3
135.11732	1.6
137.09650	1.3
145.04988	2.8
145.10126	2.3
146.08131	100.0
147.08372	1.3
147.11684	3.6
149.09596	2.5
149.14992	0.8
161.13245	6.0
163.11238	3.2
167.10666	0.9
171.11861	1.2
189.12764	7.6
190.48483	0.8
191.10626	1.5
207.13828	14.8
209.11783	2.2
225.14859	1.7
227.12766	4.1
242.17473	0.9
246.17261	1.0
260.18652	6.1
268.34387	0.9
308.13406	68.3
309.13751	3.4
419.92850	1.0
422.23843	34.7
423.24103	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08352	2.8
53.03935	3.2
54.11216	2.6
55.01870	6.3
55.05508	7.4
55.57832	2.5
57.03408	3.4
61.02947	3.5
67.05507	4.7
69.03439	20.0
69.07066	8.9
69.12209	14.3
71.04985	7.0
71.47870	2.6
77.49086	2.4
79.05498	6.9
81.07067	5.9
85.02917	27.3
85.06535	2.8
91.05480	11.1
93.07046	14.2
95.04411	2.7
95.04977	12.3
95.08617	13.3
97.02911	13.0
98.06127	2.5
98.22697	6.5
99.70077	2.7
105.07043	38.6
107.04959	3.1
107.08591	23.0
109.06511	4.1
109.10148	10.4
117.07037	7.4
119.08596	60.2
121.06546	6.2
121.10155	24.5
122.07291	4.0
123.08103	3.7
123.11734	2.6
127.03951	5.6
128.07079	2.9
129.06981	4.3
131.08566	27.0
133.10126	25.8
135.08054	5.3
135.11723	7.5
137.09644	33.6
142.04625	3.0
143.08583	5.9
143.35480	2.7
144.09291	7.9
145.04961	2.7
145.10161	12.4
146.08127	29.5
146.10904	4.5
147.08090	11.3
147.11691	27.1
149.09607	25.1
156.09346	19.9
159.10390	3.2
159.11716	57.1
161.13274	57.3
163.11177	4.0
165.12921	3.6
171.11705	32.3
174.10399	5.9
179.14369	8.1
189.12766	85.7
207.13818	100.0
208.14177	7.1
209.11780	4.4
227.12816	3.1
231.93777	3.2
260.18509	3.4
293.11694	5.2
301.11740	3.5
308.13400	17.1
422.13751	3.8
422.23669	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	14.7
69.03433	4.6
69.07066	2.4
69.43722	2.1
70.06583	14.8
70.98116	2.5
71.46326	2.0
72.08166	2.1
83.04980	2.6
83.37563	1.8
84.04489	3.4
84.08143	3.4
84.65932	1.6
84.92898	1.7
84.96060	3.5
85.02899	5.1
86.03197	1.6
86.09693	7.6
87.04467	2.6
93.99382	1.9
95.04987	2.9
95.08593	2.9
97.02886	4.0
97.27271	1.8
98.97581	100.0
99.04417	2.0
99.10244	1.8
103.43148	1.8
105.07032	3.1
107.08590	3.0
110.07181	1.8
110.97569	14.7
112.99148	6.0
115.03941	5.2
115.83571	2.0
116.98623	37.3
120.08100	3.5
128.98601	16.2
129.10223	4.0
131.00171	4.1
133.01671	2.6
133.04980	3.9
134.05266	3.3
134.99641	8.1
136.07600	2.5
138.05479	2.2
141.02272	2.6
143.00165	6.2
144.05902	1.8
145.02859	4.5
146.99680	5.8
149.01282	2.3
155.01524	4.1
158.99641	46.5
159.03278	10.8
161.01163	4.7
170.99617	4.7
173.01257	2.8
175.02802	2.1
177.00713	36.2
177.04204	16.3
177.05673	2.8
181.07304	2.0
183.03259	6.3
189.00685	4.3
191.02251	1.8
191.05817	2.4
195.05344	2.3
199.03673	2.9
201.00661	10.4
201.04338	32.0
205.03870	2.3
207.13809	2.6
208.14104	1.9
209.15337	4.6
213.12245	3.5
219.01756	59.2
219.05112	10.9
231.05388	3.5
237.02782	54.5
243.05408	25.6
244.05779	2.1
247.04330	7.0
248.62593	2.5
259.04901	3.7
261.02750	3.1
261.06345	4.2
273.86328	2.1
279.04169	3.1
285.06378	5.7
293.05566	2.1
303.07574	23.2
319.06912	7.3
321.08612	39.9
331.07019	6.6
349.08054	5.4
363.09586	84.9
363.13177	3.3
364.09970	4.1
381.10715	31.7
402.00052	2.1
404.12384	4.1
423.11615	3.3
423.16467	4.9
423.21835	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.6
60.99782	0.3
63.52962	0.3
64.17461	0.3
69.03439	0.8
70.06572	0.5
81.26514	0.3
84.08147	1.3
85.02923	0.7
86.09751	0.4
91.05467	0.5
98.97595	4.2
103.05480	0.4
106.54715	0.3
112.11250	0.4
113.57899	0.3
116.98618	2.6
120.08088	0.4
121.06584	0.3
122.81527	0.3
129.10309	0.4
133.04970	0.7
134.99643	0.8
137.06004	0.4
140.05734	0.4
140.06824	0.7
145.02849	0.5
147.04446	0.7
149.05969	0.8
158.06659	2.0
167.07062	4.0
176.07693	1.1
177.05482	1.9
178.05940	0.5
202.04207	0.4
209.08162	1.1
219.01971	0.4
220.02101	0.4
227.09166	2.2
228.05780	0.8
240.05736	1.2
244.03043	0.4
244.05190	2.4
246.06708	3.0
252.05797	1.2
254.07083	0.5
256.05148	0.6
258.06729	2.4
258.99783	4.2
259.06812	0.4
261.03101	0.3
268.05124	0.4
270.06738	3.6
271.07034	0.4
274.97812	0.4
277.00864	4.3
280.97992	1.0
281.08560	0.3
282.06821	0.5
282.99875	0.4
283.09961	0.6
286.06424	0.4
295.06879	0.4
295.09912	2.1
298.99017	0.5
300.07886	1.2
301.00970	0.4
307.09857	0.5
309.11505	0.9
312.07822	4.2
313.07700	0.6
313.11066	0.7
321.11490	2.1
325.10849	3.0
326.10983	0.4
327.12424	2.0
333.11267	1.0
337.10947	2.9
339.12552	7.6
340.12726	1.1
349.10828	0.6
351.12537	25.4
352.12735	3.0
363.12521	100.0
364.12704	11.4
381.13623	1.0
382.99783	0.5
401.01089	1.3
405.21265	0.4
423.22455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97798	3.3
55.05512	12.3
57.03418	4.0
60.98642	4.1
67.05500	16.5
68.10302	3.8
69.07066	5.4
70.19704	3.9
75.13260	3.5
79.05481	15.2
81.07048	22.0
83.08633	7.9
91.05464	9.5
93.07039	13.2
95.04967	5.2
95.08615	11.4
97.06511	5.5
97.10159	7.7
105.07024	11.1
107.04958	4.0
107.08590	12.4
109.06490	4.7
109.10152	4.2
116.22889	3.8
117.07013	7.6
121.06540	7.5
121.10095	5.3
125.09666	6.9
129.07022	6.1
131.08557	8.5
133.10118	7.6
135.04405	17.2
145.10068	5.9
185.18796	4.1
202.83707	3.9
211.81265	4.2
228.91777	4.1
239.14653	4.9
292.74643	4.9
328.25894	4.1
351.17642	7.6
369.24078	12.6
370.34799	5.8
387.25302	19.2
388.25586	8.0
406.26025	4.1
423.21436	100.0
424.21680	6.9
424.28241	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
61.14027	0.3
120.04790	0.3
127.46403	0.3
151.07555	1.2
152.07864	0.9
297.62277	0.3
423.23535	100.0
424.23849	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
57.02888	0.4
57.89462	0.4
67.05482	0.8
67.30154	0.4
69.07066	0.5
69.64823	0.4
69.65156	1.5
71.05006	2.8
71.52646	0.4
81.07050	2.7
82.06588	0.5
83.08613	0.7
91.05462	0.6
93.07001	0.7
95.08585	1.6
98.11372	0.4
100.11227	1.8
110.05973	0.6
141.69318	0.4
151.07527	0.9
182.15446	0.5
185.38322	0.4
189.09052	0.8
201.03690	2.8
203.05258	100.0
204.05623	1.8
205.66632	0.5
210.14954	0.9
243.17166	1.6
244.07849	1.2
244.28954	0.4
266.24713	0.5
270.41937	0.5
310.24167	0.6
359.79514	1.7
423.23526	81.5
424.23810	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2353
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
67.05515	0.6
69.07064	0.4
69.62831	0.3
71.16797	0.3
71.46752	0.4
81.07060	0.9
91.05490	0.8
91.13696	0.4
93.07035	1.0
95.08616	0.8
105.07026	0.7
107.08569	0.8
119.08636	0.5
121.10168	0.5
125.09586	0.4
147.11711	0.5
155.24739	0.4
201.02219	0.2
201.03700	9.1
203.05254	32.7
204.05721	1.0
243.17267	1.1
244.07889	0.4
245.18785	1.0
294.24243	0.3
370.84802	0.3
373.17606	0.4
406.09390	1.0
423.23520	100.0
424.23709	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97842	0.3
67.05512	0.5
68.05016	0.4
70.06597	0.6
70.29945	0.9
73.32993	0.3
79.05494	0.4
79.46377	0.4
81.07050	0.4
88.31622	0.4
94.10482	0.4
101.14987	0.4
114.69389	0.4
116.07108	0.6
126.25269	0.4
149.02322	0.5
179.07060	0.4
201.01788	0.4
201.02135	0.2
201.03705	14.2
203.05275	14.5
243.17256	1.2
245.18771	3.7
339.17587	0.6
407.45889	0.4
423.23560	100.0
424.23737	7.2
424.30130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2356
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
51.88978	0.5
54.50922	0.5
58.97758	0.7
67.05506	0.9
70.06686	1.1
79.05479	1.5
81.07064	0.8
91.05484	0.9
93.07043	0.8
94.82119	0.5
95.04970	0.9
97.06551	0.7
105.07062	0.8
107.08562	0.9
109.53378	0.5
113.12343	0.5
119.08605	0.8
133.03210	1.3
201.03731	6.9
203.05278	10.0
231.10219	0.9
243.17218	0.9
243.79878	0.5
245.18980	1.2
256.88593	0.5
295.15164	1.2
364.24658	1.0
364.28763	0.7
384.83643	0.6
423.23547	100.0
424.23764	7.5
424.29010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65868	0.3
55.05499	0.9
67.05520	0.6
69.03441	0.4
69.07059	0.9
69.47598	0.9
69.47994	0.7
79.05493	0.4
80.10365	0.5
83.08630	0.8
85.02859	0.4
87.00851	0.4
105.07032	0.4
157.15881	0.5
192.86012	0.4
201.03688	17.0
202.04129	0.5
203.05258	16.0
204.98257	0.4
230.92101	0.5
243.17177	1.5
245.18764	3.1
285.43280	0.4
297.16864	0.4
423.23535	100.0
424.23737	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.8
57.03434	5.9
57.07065	3.9
67.05499	8.9
69.07063	15.4
69.24268	4.5
71.08607	1.8
79.05485	5.1
81.07056	10.7
83.08615	8.2
85.06532	1.0
91.05521	0.9
93.07048	6.2
95.08598	10.3
97.06514	1.9
97.10164	4.3
107.08582	2.8
109.10125	2.4
111.11684	1.4
113.00008	78.5
119.08494	0.9
121.10147	5.1
123.11671	1.7
126.76709	0.8
135.11673	4.0
137.13254	1.3
145.85075	0.9
169.02597	100.0
170.02988	0.7
171.32379	0.8
179.14351	1.4
187.03671	2.9
206.29150	0.8
219.11867	0.7
219.20998	0.9
237.22137	3.2
311.25757	44.0
312.26114	1.8
341.20334	1.1
348.65503	0.8
405.23816	3.4
423.31158	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.4
57.03426	5.3
57.07074	5.3
67.05492	3.7
69.07064	14.3
69.62614	5.2
71.08630	3.9
76.34476	1.1
77.63347	1.1
79.05489	3.1
80.43540	1.4
81.07081	6.2
83.08612	9.8
85.10188	2.1
89.06017	2.6
91.05485	2.0
93.07030	3.9
95.08598	7.5
97.10166	8.3
98.22825	1.9
105.07018	2.9
107.08573	3.0
109.10146	4.2
111.11694	1.5
113.00014	86.0
119.08553	2.7
121.10147	3.1
123.08045	2.1
131.08571	2.3
133.08589	1.8
133.10094	1.7
135.11707	2.3
145.10249	1.2
147.11688	1.6
149.13287	1.4
159.11661	1.6
161.13283	1.9
169.02600	100.0
170.03026	1.7
179.14314	2.8
187.03632	1.7
213.16443	2.0
237.22108	7.1
239.14862	2.7
311.25720	15.2
331.26099	1.8
405.24118	2.4
423.22147	2.6
423.30777	17.5
423.36011	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49573	1.0
55.05512	13.6
57.03436	7.3
57.07071	7.7
57.07663	1.0
60.82914	0.9
67.05504	12.9
69.07067	18.3
69.71354	3.1
71.04997	1.3
71.08639	3.0
79.05488	6.1
81.07056	14.2
83.08615	9.7
85.06569	1.2
85.10196	1.8
89.06031	2.6
90.48490	1.0
91.05495	1.6
93.07030	7.4
95.08596	8.6
97.06543	2.6
97.10174	6.2
98.22701	1.0
105.07011	1.5
107.08596	5.5
109.06519	1.2
109.10164	3.4
111.11729	1.6
113.00013	88.3
119.08598	1.0
121.10149	5.7
123.08015	2.2
123.11713	2.6
131.08495	0.9
133.08551	1.2
135.11673	4.6
147.45508	1.1
149.13225	1.9
169.02609	100.0
170.02954	1.3
177.12622	0.9
179.14328	3.7
181.06458	0.9
187.03664	3.5
216.76889	1.0
219.21014	1.4
221.13689	1.2
237.22124	3.2
239.14914	2.0
300.53464	1.0
311.25766	42.0
312.26166	3.0
314.44943	0.9
331.26343	1.6
341.20660	4.6
405.23880	1.8
407.33621	1.5
423.31329	4.7
423.36154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.3
57.03429	0.7
57.07079	3.5
60.10807	0.4
67.05512	6.3
69.06710	0.8
69.07073	13.1
69.35136	0.7
69.35541	1.5
71.08633	0.9
78.24205	0.3
79.05492	4.0
81.07056	7.4
83.04992	2.2
83.08620	4.8
85.06558	0.5
91.05494	3.5
93.07049	7.9
95.08613	7.1
97.10173	1.2
98.23067	1.4
101.09644	0.4
105.07037	3.9
107.08603	13.3
109.06542	1.6
109.10165	2.7
111.08086	0.9
117.07033	0.8
119.08588	7.4
120.08136	1.8
121.06526	2.7
121.10165	8.9
123.08092	5.9
123.11741	1.8
125.09673	0.4
129.06949	0.4
129.22653	0.3
131.08562	2.6
133.10144	8.1
135.08063	8.3
135.11707	6.4
136.08813	1.6
137.09625	1.3
137.13226	0.8
143.08546	0.4
145.10118	3.5
147.11696	3.3
149.09634	4.5
149.13263	1.6
149.62088	0.3
157.10181	0.7
159.11734	2.5
161.13281	1.9
163.11180	1.5
163.13680	0.4
163.14804	2.3
165.12762	0.4
171.11681	0.4
173.13277	1.9
175.11208	0.5
175.14813	3.6
177.12735	2.1
177.16396	0.9
179.14323	4.3
180.10197	0.7
185.13225	0.5
187.14867	0.8
189.16411	1.9
191.14316	9.1
191.17918	0.7
193.06946	0.4
193.15834	0.4
201.16348	0.4
203.18010	2.5
205.15894	1.5
205.19565	0.6
215.18019	0.9
219.17497	0.5
233.19145	0.5
247.20543	0.7
275.20096	1.0
275.27283	1.9
285.25705	0.8
289.21548	0.5
303.26837	10.2
304.27362	0.6
313.25259	0.5
331.26328	100.0
332.26657	6.5
349.27463	1.6
405.30057	15.8
406.30313	1.4
424.24484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05508	4.9
57.03419	1.5
57.07075	4.8
67.05510	7.7
69.03428	0.7
69.07064	5.4
71.04974	1.2
71.08632	4.5
79.05503	5.3
81.07058	12.0
83.04955	1.2
83.08620	2.5
85.06541	3.0
91.05478	3.3
92.72188	0.4
93.07040	5.6
95.04943	1.6
95.08028	0.7
95.08609	9.8
97.06518	1.5
97.10166	1.0
98.22965	3.4
99.08074	2.0
105.07030	4.7
107.08592	6.4
109.06515	16.9
109.10147	4.2
110.06876	0.5
111.08062	1.2
113.00013	3.1
117.06998	0.7
119.08590	4.6
121.06553	0.4
121.10154	4.5
122.07269	1.6
123.08067	29.0
123.11674	1.8
125.09676	0.5
131.08565	1.7
133.10077	3.2
135.08047	6.7
135.11661	1.4
136.08774	0.4
137.09576	1.7
137.13257	0.5
139.11166	0.4
145.10138	2.4
147.11681	2.1
149.09628	2.2
149.13220	1.3
157.10095	0.6
159.11667	2.1
161.13216	1.2
163.11179	0.5
163.14821	0.5
165.12729	1.5
167.14326	1.0
169.02577	3.0
173.11807	0.4
173.13254	1.0
175.14801	1.1
177.12721	1.3
177.16382	0.5
179.14307	79.4
180.14661	2.7
185.13345	0.5
189.16360	0.5
191.14307	1.4
193.15892	2.5
200.13057	0.4
201.16254	0.4
205.15842	2.6
215.18015	0.5
233.18944	0.9
239.18053	0.4
247.20589	0.5
263.19974	0.5
275.20044	1.7
289.25241	0.7
293.21246	0.7
295.55756	0.4
301.99786	0.4
303.26758	2.0
311.25803	0.9
313.25595	0.6
331.26306	27.0
332.26617	1.8
349.27371	6.7
367.24826	0.7
389.26447	1.2
391.48083	0.4
400.11343	0.4
405.29749	0.9
422.13315	0.5
423.14337	2.3
423.31067	100.0
424.14798	0.5
424.31418	6.9
441.15808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00197	0.6
55.01874	0.7
55.05513	4.8
57.03432	1.7
57.07059	2.1
59.42660	0.7
60.38945	0.6
63.81891	0.6
67.05502	7.4
69.07068	6.6
71.04973	1.1
71.07578	0.8
71.08622	1.5
79.05497	4.2
81.07051	9.8
83.04984	1.2
83.08618	3.3
85.06561	1.0
88.17738	0.6
91.05479	3.7
93.07043	6.9
95.04967	0.8
95.08606	7.7
97.06530	2.0
97.10152	1.3
97.35031	0.6
105.07004	3.8
105.97285	0.7
107.08576	5.3
109.06515	9.4
109.10162	2.5
111.08057	1.7
113.00058	1.6
119.08573	4.2
121.10133	3.3
123.08066	36.6
123.11694	1.5
124.08386	0.9
131.08580	1.8
133.10109	2.3
135.08028	8.6
135.11723	2.1
137.09612	2.0
145.10129	2.4
147.11674	1.2
149.09618	2.5
149.13220	1.5
157.10123	0.8
159.11707	1.9
161.13297	1.1
163.11188	0.9
163.14906	0.7
167.14293	0.8
169.02661	1.5
177.12746	3.4
179.14297	19.8
180.14595	0.9
197.10957	0.6
205.15909	0.8
247.20447	0.8
263.19974	1.1
275.20108	5.1
280.27222	0.6
289.25351	0.6
303.26846	4.1
311.25821	0.8
313.25262	0.9
331.26279	30.1
332.26584	1.9
332.50778	0.6
349.27591	1.4
367.24777	1.9
423.31052	100.0
424.31421	8.4
441.12888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01876	0.7
55.05518	5.0
57.03430	1.3
57.07080	3.4
67.05511	5.8
69.03420	1.2
69.07068	7.0
69.36491	1.7
71.08606	0.8
72.53648	0.4
79.05503	4.2
81.07064	10.7
83.03020	0.3
83.04989	2.5
83.08623	3.3
85.06544	1.2
86.09723	0.6
90.27798	0.3
91.05466	3.2
93.07047	8.5
95.04963	0.7
95.08608	12.9
96.08894	0.5
96.60983	0.4
97.06556	0.6
97.10172	0.9
105.07023	5.0
107.08597	15.0
109.06483	2.5
109.10164	4.8
111.08097	1.1
117.06989	1.0
119.08580	13.1
120.08861	0.4
121.06495	1.9
121.10152	11.8
122.07267	0.4
123.08073	7.3
123.11723	2.1
131.08569	2.4
133.10123	6.6
135.08047	8.3
135.11685	6.1
136.08809	1.6
137.09612	3.4
137.13263	3.5
145.10109	2.5
147.11685	4.2
149.09621	5.7
149.13258	2.5
151.11177	0.6
151.14764	0.4
154.04051	0.4
157.10158	0.6
158.10945	0.6
159.11710	2.8
161.09644	0.4
161.13275	3.7
163.11162	0.8
163.14832	5.6
164.00691	0.4
165.12762	3.9
167.14372	0.6
173.13263	3.4
175.11186	0.9
175.14796	2.9
177.12764	1.7
177.16389	0.7
179.14288	5.8
187.14819	1.0
187.71852	0.4
189.16383	1.0
191.14320	8.2
191.17897	0.5
193.05078	0.4
193.15894	0.7
203.14223	0.4
203.17955	0.7
205.15887	0.8
205.19528	0.7
229.19595	0.5
247.20592	0.8
261.22034	0.5
275.27411	0.4
277.08698	0.6
283.16934	1.8
285.25787	2.1
303.26825	24.8
304.27164	1.6
313.25217	0.8
331.26309	100.0
332.26633	6.7
333.07581	0.6
339.23248	1.0
349.27411	3.6
381.09573	0.7
391.08099	1.4
405.29993	25.4
406.30252	1.1
414.43994	0.4
423.10806	1.7
423.30997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.5
58.06582	1.1
69.91505	2.3
69.91883	2.4
70.06587	1.9
72.08144	1.5
74.09716	1.2
84.08136	1.9
85.02924	1.4
86.09720	2.7
97.44684	1.2
98.65017	1.2
98.97578	98.2
101.00906	2.4
108.25883	1.2
109.07642	1.5
109.87380	1.0
110.08430	5.1
111.09209	3.9
116.98617	59.8
119.01925	4.5
131.01927	1.8
134.99658	18.6
136.07558	1.7
139.33730	1.4
140.06799	11.2
141.93294	1.2
143.01892	6.5
145.03584	1.4
149.05916	1.5
153.00641	1.4
155.01915	1.3
161.02934	4.5
167.01881	1.3
167.07018	3.9
173.02988	3.8
174.97687	2.5
177.00966	2.7
177.05418	3.7
178.01044	1.3
185.02927	6.2
192.98586	1.4
197.02887	2.2
203.03995	3.3
210.04721	12.1
216.98827	3.8
219.02040	4.2
221.01665	1.9
227.09109	3.1
228.05679	2.7
233.03606	1.7
234.99957	5.6
240.98607	10.3
245.05064	13.9
252.05766	1.6
258.99789	100.0
259.99924	7.2
261.00208	2.0
261.03058	3.8
262.03156	2.7
263.06165	4.4
275.06088	3.3
277.00836	97.5
278.01093	6.0
279.01022	1.7
282.07635	3.6
282.99979	47.5
284.00262	2.2
284.99973	1.6
292.00653	1.3
292.05225	3.3
298.98090	1.6
299.99127	1.3
300.02676	2.0
300.08582	3.0
300.98022	2.6
301.01031	49.2
302.01166	4.3
303.00986	1.7
305.07178	3.0
310.02008	2.0
310.06158	2.3
312.07840	1.6
318.98590	2.1
319.02185	2.0
357.03839	3.6
359.01175	1.8
364.02850	1.6
364.12598	2.7
365.09296	2.2
382.99930	13.9
392.05289	1.4
401.01584	37.5
402.01733	6.2
407.00314	2.0
419.01590	10.4
425.01019	10.7
442.00848	2.7
442.09460	2.2
442.18988	2.9
443.02133	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03426	1.3
61.02924	3.4
69.03426	6.0
69.32849	2.7
69.33241	5.6
70.06601	1.3
73.02920	2.6
79.05503	1.4
85.02898	22.8
91.05487	4.6
93.07021	2.3
95.04952	1.4
97.02836	2.1
98.22655	2.7
98.97565	2.1
99.04456	1.6
103.05466	2.5
106.04142	2.4
107.04977	2.2
109.06512	1.4
110.45588	1.4
117.03375	2.1
119.04965	1.6
119.77372	1.3
121.06512	14.5
123.04423	6.0
124.05209	1.8
127.03923	4.3
133.02792	1.9
133.06482	6.6
134.03622	2.3
134.97205	1.3
135.04401	1.5
137.05952	4.5
140.04659	4.5
145.02827	1.9
145.04956	4.4
148.05142	1.9
149.05977	34.0
150.06595	1.9
151.03992	1.5
155.07011	3.5
161.05997	1.7
163.03839	2.9
163.07498	2.3
165.09100	16.4
167.07034	100.0
168.07401	3.1
176.04715	3.1
177.05466	36.8
178.06219	10.3
181.08597	5.9
184.03264	1.3
193.08585	26.4
194.08977	2.3
197.08093	2.0
209.08069	55.0
210.08394	1.6
211.09616	12.2
221.01274	1.4
227.09137	84.2
228.09520	3.7
269.03366	2.1
299.92014	1.6
361.46619	1.4
424.26669	1.4
446.33054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01863	1.3
55.05506	1.5
57.03421	0.9
62.35539	0.9
67.05506	4.1
69.03419	3.8
69.07056	1.5
79.05500	7.7
81.03394	2.0
81.07055	7.9
85.02898	2.4
91.05477	11.9
93.07036	8.5
93.27744	0.9
93.97789	0.9
95.04916	1.4
95.08620	0.9
97.02881	7.9
97.06522	1.4
99.00835	1.1
103.05472	2.6
105.07011	14.3
107.04978	3.9
107.08572	2.4
109.02874	6.5
109.06514	2.0
113.02362	1.5
115.03930	1.9
115.05459	2.6
115.91072	1.0
116.06196	1.2
117.06985	8.5
119.08565	6.6
121.06517	2.6
123.04454	1.3
125.02363	3.3
128.06253	4.5
129.06995	12.6
131.04858	1.3
131.08574	9.4
133.06487	2.9
135.04399	2.9
137.05992	1.8
141.06982	11.2
142.07768	5.4
143.03415	4.1
143.08553	13.3
145.06482	3.0
145.10141	7.3
147.08060	2.1
149.05968	5.4
151.07532	21.3
153.07001	4.6
155.08537	24.5
156.09245	1.1
157.10104	20.4
158.07222	1.3
159.08058	3.7
159.11641	2.3
161.04448	5.4
161.05969	2.8
163.07529	5.9
165.09163	1.6
166.07773	1.8
167.07054	11.8
167.08498	2.7
168.09322	12.8
169.06540	2.3
169.10101	3.9
173.06075	2.8
173.09676	4.3
173.13234	3.5
175.07584	1.2
177.09111	4.3
178.07817	2.6
181.10103	7.3
183.08217	2.5
183.11684	38.5
184.12143	1.7
185.09576	2.2
185.13278	2.2
187.07564	4.5
187.11188	1.5
193.10143	12.0
196.08780	2.2
199.11217	2.6
201.09061	14.4
201.12723	12.7
211.11153	20.0
211.13094	1.6
212.11530	1.1
217.12289	1.2
229.12218	100.0
230.12582	4.3
247.13275	14.4
248.13675	1.3
356.16794	1.1
371.18454	5.6
424.21481	1.3
424.26694	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97586	0.7
55.01863	7.3
55.05505	2.6
57.03415	1.1
57.07061	0.8
65.52596	0.8
67.05489	3.2
68.31048	0.8
69.03419	4.1
69.07063	5.9
69.45069	3.5
71.04973	1.9
71.34187	0.7
77.35571	0.8
79.05484	4.4
81.03406	1.3
81.07069	6.4
85.02900	4.0
85.06509	4.1
91.05476	3.3
93.07047	8.4
95.04954	2.6
95.08608	7.2
97.02869	1.0
97.06538	7.6
99.04450	5.3
104.10715	0.9
105.07030	8.1
107.04887	0.9
107.08587	25.7
108.18866	0.9
109.02834	0.9
109.06506	4.4
111.08066	1.5
113.05988	2.5
117.07016	1.4
119.08550	2.1
121.06505	4.4
121.10130	8.8
123.08044	4.3
125.05943	1.2
131.08542	1.0
135.08029	1.2
135.11687	5.7
139.11154	1.3
145.10112	6.5
147.11714	2.0
149.09605	3.0
151.07492	4.9
153.12781	1.4
163.11171	18.5
164.11508	0.8
167.10687	9.6
169.08594	63.1
170.08940	1.9
173.09543	1.6
177.05423	0.7
181.12212	12.5
185.11710	2.8
191.10620	7.6
193.73683	0.7
209.11757	9.0
227.12762	100.0
228.13129	5.6
245.13800	4.0
341.86514	0.8
424.19818	1.4
425.18164	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
58.06603	1.5
62.65243	1.1
67.05502	2.2
69.07070	2.7
69.62133	3.9
70.06586	8.5
79.05492	4.4
79.43385	1.3
81.03366	1.3
81.07069	7.1
83.05012	1.1
90.33990	1.1
91.05482	5.5
93.07052	2.4
94.04200	3.0
95.05000	1.8
95.08612	2.1
97.06545	4.4
105.07036	3.9
107.04953	1.4
107.08563	1.8
109.06519	1.9
109.10078	1.3
116.07100	5.5
119.04952	1.4
119.08582	2.2
121.06516	2.6
121.10149	1.3
122.03673	6.7
124.46542	1.2
131.04958	1.5
133.06493	4.6
136.05168	2.0
137.05981	100.0
138.06372	2.1
145.06461	2.1
145.10069	1.3
147.08093	2.8
148.05205	4.9
149.05986	1.7
151.07541	6.7
157.06508	2.2
161.05998	5.5
163.07521	3.8
165.09131	2.1
166.06311	8.0
167.07043	3.9
171.08012	2.0
174.06726	1.6
175.07585	1.9
176.08336	4.0
177.09103	3.7
181.08592	52.3
182.08832	1.6
188.08313	1.5
189.09106	4.1
190.09875	1.4
193.08478	2.5
203.10689	4.6
207.10191	3.9
216.11420	2.8
223.07585	2.3
247.13330	2.0
251.07164	1.8
253.08707	1.3
254.17508	3.7
282.17047	3.8
289.17966	1.4
291.19525	4.2
327.12039	1.6
339.15799	3.5
347.12888	3.0
356.16116	6.1
371.14044	2.5
371.18518	26.2
372.18652	1.3
378.26334	2.0
379.15338	5.4
380.15469	1.2
389.19580	9.5
406.25851	1.2
424.21301	4.0
424.26981	20.8
425.16278	1.6
425.25818	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41274	0.3
53.03949	0.3
57.73006	0.3
58.17675	0.3
59.15060	0.3
62.73065	0.3
70.57258	0.6
77.03922	0.6
78.04698	1.8
79.05492	3.0
81.39310	0.3
85.02931	0.4
90.04724	0.5
91.05462	3.3
95.04987	1.1
97.06516	0.5
99.14536	0.3
103.05472	5.2
105.03407	0.4
105.04541	0.5
105.07052	2.1
106.04185	1.1
107.04952	10.3
108.05757	2.5
109.06526	0.9
115.05431	1.2
117.07016	1.4
119.08561	0.4
121.06529	2.6
123.04442	3.5
123.08065	0.7
124.05219	1.8
125.06009	0.4
129.07002	0.4
131.04935	8.3
131.08620	0.5
133.06497	1.0
134.03656	0.4
135.04427	1.8
135.08058	2.1
136.05212	3.1
137.05965	3.4
141.07014	1.0
143.08589	0.4
144.05663	0.5
145.06494	1.4
146.07289	4.2
147.08080	1.1
149.05975	1.4
150.06755	1.9
151.07544	100.0
152.04674	1.4
152.07921	2.7
153.05432	0.8
157.06529	0.5
158.07314	0.9
159.08067	1.3
160.05231	0.5
160.08846	0.6
161.05988	1.6
161.09550	0.4
162.06734	0.8
163.07547	20.9
164.08040	0.9
165.09109	8.2
167.07040	65.0
168.07379	1.5
172.08856	0.7
173.06013	0.8
173.09610	0.7
174.06758	0.8
175.07512	2.0
176.08301	0.9
177.09109	25.2
178.09476	0.8
179.10661	1.0
180.52754	0.4
181.08522	0.7
186.06783	0.4
186.10417	0.9
187.07523	1.7
188.08301	1.4
189.09058	3.3
190.37123	0.5
191.10667	2.7
192.07719	0.4
193.08580	1.9
201.09113	3.1
202.09889	1.5
203.10683	2.4
207.10167	0.7
215.10573	0.5
217.12262	4.0
219.10199	1.4
221.11732	1.1
233.11772	2.1
235.13150	0.4
237.11124	0.7
246.05780	0.4
251.12752	1.1
261.08896	0.5
262.27460	0.4
265.67563	0.4
267.30411	0.3
275.10544	0.5
276.11633	0.5
279.13660	0.6
307.13226	1.6
308.14032	1.0
339.15884	13.0
340.16217	0.8
356.16037	1.8
371.18515	18.5
372.18784	1.3
380.27896	0.4
389.19595	7.8
390.19644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10661	1.3
55.01876	1.8
55.05506	3.6
56.05037	2.1
57.03437	1.6
57.10068	1.3
58.06608	3.3
66.33893	1.3
67.05508	5.9
68.05026	2.4
69.03453	1.4
69.07067	5.4
70.06590	12.0
70.58250	2.9
79.05499	6.8
81.03411	2.5
81.07056	11.3
83.04977	2.6
83.08610	1.7
85.02891	2.2
85.06532	2.1
88.13959	1.3
89.60494	1.4
91.05492	6.0
93.07056	6.0
94.04203	2.9
94.06570	1.7
95.04966	4.1
95.08608	3.7
97.02900	2.5
97.06532	8.0
97.10143	1.9
98.06090	2.9
103.05482	2.5
105.07027	7.0
107.04939	3.2
107.08608	3.7
109.06512	2.2
109.10149	3.9
111.08073	1.6
114.05554	1.8
116.07084	9.9
116.72932	1.3
117.06996	2.8
119.04929	2.1
119.08576	2.5
121.06532	2.3
121.10115	2.0
122.03681	5.7
123.11693	1.6
127.03926	1.4
129.07007	3.3
131.04958	1.7
131.08572	2.4
133.06482	6.5
133.10106	2.7
136.05232	1.6
137.05969	100.0
141.07018	1.5
143.08569	3.1
145.06555	2.0
145.10121	1.6
147.04422	2.2
147.08072	4.0
147.11751	1.4
148.05205	6.0
149.05945	1.8
149.09572	2.1
151.07532	8.8
154.08669	1.3
155.08501	1.7
157.10112	3.1
159.08025	2.4
161.05989	7.9
162.06831	1.7
163.07564	4.6
165.09123	2.3
166.06258	8.4
167.07005	3.2
175.07526	3.2
176.08292	2.6
177.09140	5.0
179.07063	2.1
181.06992	3.0
181.08578	50.6
182.08922	2.4
183.11716	4.2
189.09114	4.9
191.08197	2.4
192.08406	2.1
193.08597	4.5
193.10216	1.4
201.09088	2.6
201.12845	1.4
203.06996	4.3
203.10632	4.5
207.10207	4.7
219.10251	1.5
223.07555	2.0
229.12231	9.0
233.11745	1.8
235.09612	1.7
247.13313	4.2
251.06982	1.9
253.08510	2.5
254.17430	6.8
259.09628	1.9
273.18463	2.0
279.10162	1.5
282.16904	6.9
285.11252	4.0
291.19467	7.4
298.20035	1.8
309.11172	1.8
327.12219	4.8
335.12640	1.6
339.15948	3.9
340.16504	2.5
347.12842	3.6
356.16254	6.0
363.08228	1.4
371.18481	24.4
378.26379	5.2
379.15384	6.6
389.19598	9.9
406.25735	3.4
424.20911	8.5
424.26849	42.9
425.26733	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.2
56.51670	5.1
66.92490	5.5
67.05492	35.5
69.07063	18.1
69.28688	4.7
69.72544	12.3
79.05463	26.4
81.07049	46.6
83.08622	14.9
91.05475	35.8
93.07055	30.9
95.04987	6.4
95.08602	47.4
97.06559	6.3
97.10118	12.0
105.07035	47.6
107.04905	6.5
107.08593	23.8
109.06503	5.2
109.10155	29.6
110.14968	5.3
117.07016	18.1
119.08572	50.0
121.06506	8.0
121.10113	12.3
123.08083	9.8
125.09663	7.6
128.37241	5.5
129.07034	7.1
131.08539	27.8
133.10133	20.2
135.11700	9.8
143.08519	12.0
145.10101	25.9
147.11621	6.7
155.08557	9.0
157.10165	12.0
159.11729	6.3
161.13319	5.8
169.10094	9.1
171.11719	6.4
177.67705	4.9
197.13249	5.9
203.13091	5.5
203.17909	5.6
211.14864	12.1
217.19579	5.8
225.16425	5.2
229.15849	6.7
233.88206	6.7
309.54700	5.3
315.26370	5.2
335.23627	13.4
353.24692	38.3
371.25891	21.6
389.26797	100.0
389.31314	9.5
390.27356	7.4
424.31360	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79045	1.5
76.67570	1.5
77.53752	1.4
81.62416	1.5
82.99847	2.9
89.77660	1.5
101.00874	12.4
112.89603	4.3
113.00859	3.7
119.01913	22.8
127.02406	3.4
131.01886	5.1
133.03452	1.9
143.01894	36.1
145.03438	8.4
155.01874	14.0
157.03438	7.6
161.02945	44.5
161.04245	3.0
167.01892	9.2
169.03471	3.8
171.05057	2.2
173.02937	20.5
179.01910	2.7
185.02948	32.9
186.03174	2.1
187.04573	3.9
191.03999	3.6
197.02950	11.3
203.03964	17.2
215.04039	5.9
221.05045	4.6
227.03937	8.6
245.05058	100.0
246.05104	4.1
257.05048	4.5
263.06073	27.2
275.06079	15.5
293.07162	5.3
305.07120	14.7
335.08170	3.0
365.09186	8.1
425.04791	5.6
425.11331	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91030	0.8
55.05512	1.4
56.80866	1.0
56.96558	1.3
58.06586	1.0
63.33828	1.2
67.05503	1.9
70.06578	3.7
71.05016	2.6
71.22612	1.3
71.91039	0.9
79.05474	1.2
81.03428	1.0
81.07054	2.5
83.04921	1.2
84.08154	1.1
85.02901	2.5
86.09679	1.3
95.04944	1.1
95.06091	17.2
97.02899	1.1
98.97552	1.3
110.07186	1.2
113.07133	5.6
116.07078	1.4
133.07614	1.6
133.48457	1.1
147.04393	1.5
151.03906	1.5
152.06914	1.6
159.13797	1.4
177.05495	2.4
196.41408	1.0
197.08981	3.6
213.12445	1.5
219.01617	1.1
245.11571	1.4
249.10902	2.0
251.02243	1.0
263.12518	1.7
281.03351	2.0
299.04376	4.2
305.18613	3.0
323.19620	9.7
328.13589	1.2
382.26984	19.0
425.08841	45.5
425.17880	100.0
426.08728	3.5
426.17963	3.9
426.26236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91030	0.8
55.05512	1.4
56.80866	1.0
56.96558	1.3
58.06586	1.0
63.33828	1.2
67.05503	1.9
70.06578	3.7
71.05016	2.6
71.22612	1.3
71.91039	0.9
79.05474	1.2
81.03428	1.0
81.07054	2.5
83.04921	1.2
84.08154	1.1
85.02901	2.5
86.09679	1.3
95.04944	1.1
95.06091	17.2
97.02899	1.1
98.97552	1.3
110.07186	1.2
113.07133	5.6
116.07078	1.4
133.07614	1.6
133.48457	1.1
147.04393	1.5
151.03906	1.5
152.06914	1.6
159.13797	1.4
177.05495	2.4
196.41408	1.0
197.08981	3.6
213.12445	1.5
219.01617	1.1
245.11571	1.4
249.10902	2.0
251.02243	1.0
263.12518	1.7
281.03351	2.0
299.04376	4.2
305.18613	3.0
323.19620	9.7
328.13589	1.2
382.26984	19.0
425.08841	45.5
425.17880	100.0
426.08728	3.5
426.17963	3.9
426.26236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	6.4
69.03426	5.0
70.06591	15.0
70.26476	9.6
72.08142	5.0
81.07084	5.7
83.04976	7.5
84.08125	5.8
84.66974	3.5
85.02901	10.0
86.09697	3.6
86.56244	3.8
93.07009	4.4
95.04964	5.7
95.06123	35.6
95.08595	6.9
98.97598	12.4
105.07067	5.6
107.08659	4.1
109.10193	6.3
110.07155	7.4
113.07142	29.6
116.98618	5.5
121.10175	6.9
127.03985	4.3
128.98608	5.2
129.10246	8.5
131.08534	4.2
137.05984	5.1
150.90414	4.0
155.52425	3.9
177.02347	3.7
177.05464	4.1
182.08093	4.2
191.14355	6.4
209.15367	11.8
215.13820	5.0
219.01773	5.8
239.02245	6.6
251.02219	5.6
263.27213	4.1
269.03180	4.8
281.03363	5.1
299.04379	8.2
323.19873	9.3
339.07605	6.2
365.05441	32.5
382.27005	36.1
425.08514	100.0
425.13074	8.8
425.18127	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95876	3.1
82.99886	2.7
85.79886	0.9
94.93021	3.4
94.99884	1.3
97.02902	1.8
98.22713	1.5
98.97614	1.1
101.00868	15.5
109.02850	1.3
112.89594	5.3
113.00907	3.7
119.01910	22.8
127.02431	3.6
131.01898	9.1
137.02946	2.3
139.02470	1.5
143.01888	38.3
144.01988	2.4
145.03470	11.7
153.04024	1.1
155.01878	15.7
156.04192	5.2
157.03496	6.7
158.03873	1.0
161.02954	48.7
162.03067	1.4
167.01900	10.9
169.03471	4.5
171.04951	1.5
173.02942	20.9
174.03122	1.3
175.04509	1.5
179.01961	5.2
179.03951	1.4
185.02953	36.2
186.03053	1.9
187.04483	4.5
191.03952	6.1
194.94556	2.2
197.02945	12.2
198.03072	1.2
203.03984	15.7
204.04195	1.2
215.03989	7.6
221.05115	3.2
227.03983	8.6
233.05098	1.2
239.06081	1.3
245.05058	100.0
246.05183	5.4
257.05057	5.3
263.06116	28.5
264.06274	1.6
275.06110	18.5
293.07220	3.2
305.07175	14.1
306.07251	1.6
335.08389	2.4
365.09268	7.1
383.10263	1.6
390.50650	1.2
425.04791	2.5
425.11227	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48449	0.5
61.84835	0.5
69.84129	2.1
73.87642	0.5
78.31236	0.5
86.09681	0.6
118.46015	0.5
119.08538	0.6
189.07001	0.6
205.06453	1.4
206.07259	1.0
207.07973	0.7
218.07178	2.6
219.08112	3.6
221.09454	0.6
231.08081	1.8
233.05943	1.0
233.09270	0.6
234.06680	3.4
235.07504	1.6
246.06683	3.4
247.07513	3.2
248.08118	1.0
249.05649	0.6
249.09053	3.0
250.06253	0.9
250.10048	0.6
251.07167	0.5
259.07587	0.9
260.04623	0.7
261.05490	1.2
261.09143	0.8
262.06186	2.9
262.09805	0.9
263.07065	2.7
264.07776	0.8
265.08563	1.0
274.06189	2.0
275.03833	0.8
275.06967	6.4
276.07751	10.6
277.05051	1.9
277.08536	7.9
278.05750	2.1
278.09134	1.4
279.06522	1.8
279.10016	1.2
283.16855	1.2
288.07733	1.3
289.04913	1.4
289.08557	2.6
290.05695	2.5
290.09073	0.9
291.06464	5.7
291.10092	4.4
292.07211	7.5
292.10779	1.9
293.04684	0.6
293.07971	2.1
303.06610	3.1
304.07327	6.7
305.04651	1.0
305.07928	5.8
306.05170	1.5
306.08768	4.6
307.05930	2.2
307.09601	5.7
308.06821	1.2
318.05231	2.0
318.08768	1.1
319.06003	3.7
319.09579	21.7
320.06705	6.2
320.10355	4.3
321.04156	0.9
321.07513	3.4
321.11060	1.3
322.08093	0.9
323.09116	3.1
323.12506	0.9
332.06702	0.8
333.03879	0.9
333.07498	6.0
334.04489	0.8
334.08359	8.9
335.05579	1.9
335.09079	23.0
336.06345	3.2
336.09659	2.9
337.06958	1.0
337.10806	0.8
339.23056	0.6
346.04956	0.9
347.05417	2.2
348.06189	2.9
348.09973	4.7
349.03537	1.0
349.07004	2.5
349.10672	27.0
350.07730	2.1
350.11456	24.5
351.08575	7.4
351.12164	1.7
361.07043	1.5
363.05231	0.6
363.08600	14.1
364.05661	3.1
364.09335	1.4
365.06247	1.2
365.10306	2.7
366.11057	5.6
367.08041	6.4
376.09515	1.0
378.07269	0.9
379.08084	37.1
380.08456	6.8
380.12476	0.8
381.13342	12.4
382.13330	1.0
391.24304	0.9
393.09732	7.3
394.10449	100.0
395.11188	7.4
406.00992	0.6
407.11035	1.1
410.09882	2.0
425.12286	69.8
426.12784	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.123
Annotation	5-Methoxyjusticidin A
Peak:m/z	Relative Intensity
50.23896	0.7
66.85556	0.7
69.07020	0.9
70.54803	0.6
79.05469	0.9
81.06989	1.7
83.04958	0.7
86.09688	1.0
91.05389	1.0
93.06980	1.1
95.08527	1.1
97.12362	0.9
105.06987	1.9
107.08558	1.4
119.08511	1.5
121.10076	1.6
133.10049	1.4
137.14191	0.8
141.13687	0.7
188.02846	0.7
205.06514	0.8
206.07263	1.2
207.07887	1.3
218.07227	3.1
219.07957	2.9
221.06181	1.1
231.07988	1.8
233.05859	1.1
233.09793	0.9
234.06660	3.3
235.07536	1.7
242.74664	0.8
245.05902	0.7
246.06699	3.3
247.07478	3.4
248.08177	1.7
249.05408	2.2
249.09071	3.2
250.58879	0.7
258.61832	0.9
259.07556	1.0
261.05539	0.8
261.08914	1.0
262.06235	4.2
262.09869	0.8
263.06940	3.3
264.07590	1.1
274.06412	1.8
275.07040	7.0
276.07813	12.0
277.05136	1.4
277.08487	6.8
278.05664	2.5
278.09161	2.4
279.06409	1.8
287.13437	0.9
289.05161	1.4
289.08490	3.4
290.05615	2.9
290.08798	1.1
291.06406	7.1
291.10095	4.0
292.03955	1.1
292.07175	8.9
293.04376	1.0
293.07849	2.1
293.11511	1.0
295.09668	0.8
303.06454	3.6
304.07254	6.1
305.04706	1.5
305.07977	8.0
306.05151	2.0
306.08780	4.7
307.05905	3.2
307.09625	5.0
308.06619	1.3
308.09933	1.1
312.22360	0.9
317.07867	1.0
318.05228	2.4
319.06030	3.5
319.09564	21.2
320.06693	6.3
320.10349	4.5
321.03998	1.0
321.07401	3.0
321.10889	1.7
323.05612	1.0
323.09073	3.4
323.12631	1.2
333.07407	6.2
334.04776	1.3
334.08383	9.4
335.05380	2.4
335.09082	22.4
336.06094	2.4
336.09750	3.0
337.06937	1.1
337.10486	1.0
347.05307	1.7
347.09125	1.2
348.06378	4.5
348.09692	3.6
349.06998	3.0
349.10687	25.9
350.07806	1.8
350.11435	24.5
351.08572	7.2
351.11935	1.5
361.07074	2.4
363.04584	1.5
363.08649	13.3
364.05612	2.3
364.09534	1.0
365.10214	4.7
366.10956	4.6
367.08081	7.0
378.07327	1.1
379.08093	37.4
380.08640	9.9
381.08630	1.3
381.13260	13.8
382.13809	1.1
393.09619	14.4
394.10440	100.0
395.11139	9.1
410.10175	1.1
425.12283	70.6
426.12698	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.7
67.05511	0.9
69.03437	1.2
69.07077	0.6
69.92818	1.5
70.06575	1.3
71.05019	0.5
73.73818	0.6
74.02473	0.5
74.35413	0.6
75.14959	0.5
79.05495	1.1
81.03411	1.6
81.07060	1.1
84.08122	1.0
85.02901	1.7
87.00861	0.6
91.05499	0.8
95.05011	0.9
95.06087	1.5
96.21827	0.5
97.02900	0.6
97.10180	0.8
99.04473	0.7
108.35010	0.6
109.02892	0.8
109.07641	1.4
109.10152	0.7
111.04454	0.6
113.02387	1.7
113.07100	0.6
119.08555	0.7
125.09744	0.6
127.03917	1.4
128.10678	0.6
136.07571	5.5
149.02359	1.2
151.03909	14.9
151.05008	1.4
167.33302	0.6
169.04970	1.7
203.05243	5.2
211.13379	2.2
229.14304	0.8
245.11473	7.1
245.13831	0.7
261.08719	3.5
263.12714	1.1
281.11279	1.0
295.08316	0.6
382.26920	1.4
425.17847	100.0
426.18277	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
51.48917	0.5
55.05511	1.2
55.13567	0.4
57.03434	0.6
58.14189	0.3
59.04983	0.4
61.02928	0.5
65.03943	0.4
67.05502	6.3
69.03415	1.0
70.51027	0.5
70.51360	0.5
71.04938	0.3
72.08139	0.4
81.03404	0.5
81.07056	1.9
83.08624	1.0
84.04507	0.4
85.02904	1.4
91.05481	4.8
93.07047	0.7
95.04943	0.5
95.08605	0.7
97.02887	0.5
97.06517	0.4
99.04475	0.6
100.07622	0.9
100.11259	1.5
103.03940	0.3
105.07054	0.5
107.04970	0.3
107.08627	0.5
109.10162	7.0
110.07151	0.4
111.04426	0.9
117.09058	0.5
119.08572	1.2
127.03927	0.5
128.07048	0.5
131.04881	0.4
145.02911	0.4
147.11678	0.5
154.12267	1.2
155.10716	1.1
173.11681	2.4
177.05484	0.8
182.11850	0.7
182.15390	1.4
189.33899	0.3
210.14905	1.2
229.14313	10.9
234.98978	0.8
244.20317	0.5
250.75961	0.4
263.12512	0.5
298.24933	0.5
307.54315	0.4
335.20416	0.4
373.46249	0.4
408.28372	0.8
424.24545	0.4
425.17789	100.0
426.18201	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
56.96565	18.3
61.85276	2.2
67.05498	4.0
67.06082	1.9
69.55618	6.2
70.05843	1.8
71.64678	1.9
79.05471	2.6
81.07069	3.4
91.05491	2.3
93.07047	2.5
105.07028	2.8
110.97563	2.4
119.61668	2.5
128.98622	2.3
133.10121	2.6
136.07547	3.3
141.80544	1.9
147.03316	2.4
155.03807	4.0
171.03267	4.8
173.04846	5.8
185.04828	4.1
189.04369	2.7
199.06407	2.3
201.07921	2.3
212.16440	2.0
213.16792	2.0
217.07581	4.1
237.07896	10.0
238.17970	2.8
239.09334	2.7
243.09039	5.7
255.09035	88.1
256.09067	2.6
256.18973	2.4
257.10596	3.1
273.10095	35.8
278.10666	7.8
283.08539	4.8
285.10233	2.4
295.08429	2.5
296.11847	2.2
301.09695	3.0
312.19205	2.6
329.14160	6.9
337.07251	2.3
347.15292	21.3
365.16324	71.5
366.16653	5.6
381.09933	5.4
382.27020	3.5
383.17407	40.3
406.18863	8.8
425.15646	6.5
425.25098	100.0
426.25461	13.4
447.69888	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.194
Annotation	Cowaxanthone B
Peak:m/z	Relative Intensity
55.05516	2.3
56.96571	2.5
59.61894	0.9
64.39903	0.9
66.75671	0.9
67.05502	2.4
69.07064	3.1
71.46638	0.9
79.05484	2.2
81.07066	3.2
83.08632	1.7
86.06091	2.4
91.05492	2.0
93.07043	2.8
95.08619	2.0
96.08163	1.7
98.06071	1.2
101.05993	1.0
105.07075	1.8
107.08598	2.3
109.10159	1.0
110.10455	0.9
112.99984	1.8
116.07113	1.0
119.08585	1.6
121.10091	1.2
127.28725	0.9
131.08592	1.1
145.10144	1.9
149.13275	1.3
154.08632	1.8
161.13185	0.9
166.15962	1.6
169.02632	1.5
194.11845	1.0
212.16417	8.0
213.16818	3.6
238.18039	4.0
239.18317	3.9
240.60210	1.0
256.19086	11.1
257.19391	6.1
269.10797	1.3
276.78540	1.0
311.18320	1.6
325.16803	1.1
351.14661	7.6
369.15897	2.1
407.28238	1.5
415.97995	1.0
424.29785	3.0
425.19363	100.0
425.24960	9.5
425.30219	4.6
426.19714	8.2
426.28616	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05509	0.7
62.18028	0.4
67.05496	1.2
69.03445	0.5
70.42014	0.7
73.74054	0.5
81.07056	0.9
85.02901	2.9
90.03440	1.0
91.05477	0.7
93.02801	0.6
93.07047	0.8
95.01331	3.8
113.02363	2.5
113.40351	0.4
115.05444	0.5
118.06547	6.0
119.08577	0.6
120.04464	3.1
130.06519	8.9
132.04443	6.4
132.08101	2.9
133.08875	1.1
134.08102	0.5
134.09650	1.0
137.05905	0.6
144.08087	0.9
146.02367	20.2
146.06003	1.1
146.09656	1.6
147.02780	0.7
148.03896	1.0
151.07515	0.9
158.06010	22.7
160.07539	1.5
162.05547	0.8
170.06006	1.6
171.81532	0.6
172.03906	0.9
176.07047	5.4
176.14342	94.9
177.14621	3.5
186.05496	60.0
187.05856	1.6
188.07074	5.1
190.05060	0.8
191.10704	0.5
202.15900	3.3
204.06581	2.9
213.12355	1.3
214.04996	9.6
216.13869	1.0
232.06041	100.0
233.06325	3.7
250.07108	55.8
251.07434	2.2
288.15903	16.7
425.20602	37.1
425.25299	6.7
425.30643	1.5
426.20880	3.2
426.25919	0.9
447.35468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.23
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.4
67.90090	2.7
70.06865	7.2
81.07056	4.7
93.07047	2.3
93.24599	2.2
93.59595	2.4
96.42066	2.1
101.51321	2.3
128.06381	2.4
159.11824	2.6
192.67517	2.4
328.11847	3.1
425.22977	100.0
426.23477	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
60.04534	0.8
67.05497	1.0
68.05030	0.6
69.47106	2.3
79.05482	1.4
79.70764	0.4
81.07037	1.8
83.08603	0.9
85.16091	0.4
91.05468	0.8
93.07057	1.1
95.04979	0.7
95.08596	1.2
105.07014	1.0
109.10165	0.8
116.07074	0.7
119.08605	0.6
121.10114	0.6
134.08160	0.7
166.95041	0.5
167.90753	0.5
177.89853	0.5
201.03691	17.4
203.05261	15.6
204.05548	0.6
284.66730	0.5
289.05151	0.8
366.19171	0.7
381.18759	0.8
392.05188	0.5
425.18427	4.2
425.25070	100.0
426.19086	1.2
426.25278	4.6
426.28918	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.03432	7.6
57.07073	21.4
64.72810	0.7
67.05498	4.8
69.07062	5.4
69.10675	5.8
71.08625	13.5
81.07054	7.1
81.23054	0.8
83.08621	5.7
85.10164	6.6
90.95704	0.7
95.08596	9.4
97.10163	2.0
109.10174	2.7
113.00011	86.9
123.11691	0.9
169.02608	100.0
170.02907	1.4
187.03705	2.7
201.94949	0.7
239.23592	1.4
313.27347	41.1
314.27747	2.5
407.25385	2.7
407.33289	1.1
425.21310	1.9
425.33810	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.5
55.79993	1.1
57.03431	7.1
57.06816	1.9
57.07077	26.4
67.05493	5.1
69.07056	3.9
71.08633	12.7
81.07066	6.5
83.08618	4.4
85.10184	8.1
89.06025	1.7
89.48795	1.1
93.07041	1.4
95.08626	9.4
97.10167	3.8
104.70387	1.0
109.10148	4.3
113.00018	79.8
121.10218	1.2
131.00983	1.3
152.86201	1.1
164.40634	0.9
169.02612	100.0
170.02919	1.8
171.03088	1.9
187.03690	2.0
239.23706	1.9
313.27380	57.2
314.27637	1.9
365.19516	1.6
425.21390	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30762	1.2
55.05512	3.4
57.03438	7.0
57.07074	27.9
67.05496	5.3
69.07075	6.3
70.75677	2.2
71.08630	16.5
79.05477	1.5
81.07056	6.8
82.41602	1.3
82.54871	1.3
83.08624	5.7
85.10179	6.3
89.06026	3.8
93.07001	1.5
95.08599	11.8
97.10144	1.9
103.07637	1.7
109.10152	5.0
113.00012	78.0
123.11720	1.8
133.08611	2.0
169.02606	100.0
170.03033	1.3
175.78136	1.6
187.03673	2.6
191.08704	1.3
239.23758	3.3
270.68909	1.4
313.27335	56.7
314.27646	3.7
367.33273	1.7
407.25433	2.5
425.22006	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03434	5.7
57.07071	20.3
57.43317	1.1
64.08031	1.3
66.52837	1.1
67.05479	3.8
69.07044	3.3
69.39580	2.3
69.39986	4.6
69.41334	1.1
71.08627	11.9
81.07036	5.7
83.08604	5.2
85.10177	7.4
89.06020	3.5
95.08595	11.1
96.71435	1.2
97.10160	2.6
107.08593	1.3
109.10142	2.2
113.00008	81.0
123.11681	1.4
169.02599	100.0
170.03021	1.5
179.02217	1.3
187.03670	2.5
198.93213	1.4
201.80841	1.2
214.42232	1.2
239.14893	1.6
239.23561	1.4
250.57658	1.3
284.19092	1.5
299.20117	1.3
313.27322	51.1
314.27689	4.0
388.24741	1.3
398.38065	1.4
407.25598	3.1
425.21500	8.6
430.82220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29692	2.4
62.51915	2.8
75.04480	3.5
78.19138	2.6
81.07067	4.5
87.67966	2.6
93.07050	5.0
107.08672	2.6
119.64808	2.5
123.11602	2.9
129.04857	2.6
136.07591	10.1
137.08383	3.0
150.09149	5.5
154.08591	3.3
162.09233	6.1
209.05681	2.9
233.05989	4.0
235.07542	3.0
247.07594	5.9
248.08293	5.2
260.08374	6.0
261.05466	5.2
262.09943	6.7
263.07266	6.4
266.18936	2.8
274.06339	6.9
275.07095	4.6
276.07898	7.1
277.08630	4.3
278.09402	6.2
288.07889	5.1
289.05145	5.0
289.08640	9.2
290.09079	5.2
291.06290	3.4
293.11777	17.8
303.06580	9.3
304.07349	34.1
305.08078	17.2
306.05441	2.8
306.08606	5.7
317.04498	8.1
318.08871	4.4
319.05920	5.7
319.09659	100.0
320.10272	23.4
320.22098	4.9
321.11124	14.5
322.08286	2.6
332.06775	24.5
335.05444	6.0
335.09189	13.8
336.09976	37.5
337.10150	3.2
343.44199	2.6
347.09171	62.3
348.09482	3.2
350.07703	5.2
350.11462	8.0
351.08386	5.1
351.12289	31.2
362.07834	6.2
363.08618	14.2
365.06058	3.8
365.10214	35.5
376.28500	66.2
377.10229	20.6
378.10693	4.5
381.09705	3.1
394.29517	48.6
395.11304	74.0
396.11566	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38012	0.5
90.31934	0.6
98.22581	0.8
185.06030	0.9
207.08043	0.9
214.06276	0.7
229.08739	0.8
233.05833	0.7
233.09543	0.9
234.06718	0.7
235.07573	2.1
247.07503	1.4
248.08324	1.3
249.09239	1.2
257.08020	1.8
261.05414	1.0
261.09027	2.2
262.06290	2.0
262.09799	1.0
263.06903	3.4
264.07715	0.9
265.08707	0.9
269.20102	0.7
270.48651	0.7
275.07028	2.1
276.07755	2.7
277.08548	1.9
278.05774	2.1
278.09247	1.0
281.11472	0.7
289.08432	3.0
290.05835	1.2
290.09332	2.8
291.06558	2.0
291.09933	1.1
292.07193	1.6
292.10529	0.7
293.08298	1.3
293.11664	2.2
295.09641	1.4
303.06308	1.1
304.07306	1.7
305.08005	4.1
306.08743	3.1
307.09573	2.0
309.11002	1.2
318.08713	0.9
319.06259	0.8
319.09644	10.4
320.10376	13.2
321.07568	1.3
321.11084	3.7
322.08469	0.8
323.12637	0.7
331.06018	0.8
332.06738	0.7
333.07526	2.5
334.08170	1.7
335.09113	3.0
336.09915	8.7
337.10449	1.2
346.08582	0.7
347.05453	0.6
347.08948	3.2
349.10666	1.1
350.07602	1.4
350.11511	2.8
351.12207	5.8
362.07776	1.4
363.08621	1.0
364.09439	4.4
365.10229	4.8
377.10022	1.0
380.08661	1.1
395.11237	100.0
396.11603	7.8
426.35492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.48484	1.8
59.04590	1.7
63.40069	1.8
67.05516	5.4
69.03415	2.0
79.05521	2.5
81.07063	5.0
83.08596	2.8
87.04510	2.5
89.21217	1.8
91.05519	2.8
93.07059	4.0
95.05006	2.2
95.08617	2.5
98.06049	2.2
105.07024	2.6
117.84501	1.9
133.10130	2.3
134.08121	5.0
137.02348	5.5
247.07469	3.8
248.08310	2.7
263.07065	6.0
264.07794	4.5
275.07007	5.3
279.10205	15.2
291.06476	5.3
293.04318	2.4
293.07910	3.0
306.09094	2.5
307.06241	3.5
307.09525	21.9
308.10272	2.9
319.09549	2.4
323.09100	6.3
337.07098	4.7
337.10764	22.2
351.08795	2.5
381.09680	100.0
382.10004	7.7
395.07562	4.8
408.07800	2.8
425.24896	2.4
426.06018	9.2
426.28979	23.5
427.17303	8.2
427.26645	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01870	3.2
55.05497	1.7
57.03438	1.6
61.02921	1.3
67.05512	3.3
69.03429	2.9
69.23057	4.2
71.04993	1.1
77.03938	0.9
79.05495	9.4
81.03416	2.5
81.07059	7.0
83.08585	0.8
85.02905	11.6
87.04475	0.9
91.03961	1.1
91.05482	13.5
93.07038	7.1
95.04971	3.4
97.02896	3.2
97.06544	2.1
103.05470	2.1
105.03396	2.1
105.07032	19.4
107.04984	1.9
107.08628	1.9
109.02882	2.6
109.06501	0.9
109.63963	0.8
115.05462	2.5
117.07026	6.6
119.04945	1.6
119.08595	5.6
121.06490	3.8
123.08059	1.4
127.03907	2.1
128.06224	6.8
129.07011	13.0
131.08575	12.3
133.06500	5.9
133.10118	1.0
135.04451	1.6
135.08037	1.5
137.05977	2.3
141.06990	15.6
142.07799	10.7
143.08562	19.7
144.09245	2.2
145.04988	1.4
145.06487	3.0
145.10120	5.2
147.08070	1.5
149.05986	3.8
151.07545	6.8
153.06972	5.7
154.07751	2.2
155.08549	28.3
156.09155	1.6
157.06375	1.0
157.10129	28.9
158.10457	1.8
159.08043	5.6
159.11707	4.9
161.05960	2.1
163.07498	1.3
165.06981	2.4
166.07809	2.9
167.07256	1.1
167.08583	3.3
168.09334	18.4
169.06512	3.1
169.10126	6.3
171.08061	2.1
171.11743	1.2
173.06015	4.7
173.09615	4.5
173.13237	4.3
175.11208	4.3
178.07787	3.4
181.06456	2.6
181.10100	10.2
183.08130	2.7
183.11685	56.9
184.12044	3.6
185.09641	1.0
185.13275	2.9
187.07509	4.7
187.11186	2.1
193.10132	20.8
194.10406	0.9
195.07982	0.9
196.08836	2.7
199.11238	0.9
201.09055	6.5
201.12715	14.9
211.11179	26.5
212.11557	1.3
219.13791	1.9
229.12233	100.0
230.12616	6.6
247.13300	55.4
248.13632	3.0
293.99341	0.8
321.04260	0.9
342.11694	0.8
386.33688	0.8
426.19046	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05513	2.8
55.68072	0.6
57.03442	4.6
59.04993	3.7
61.02908	3.0
61.35428	0.7
64.64772	0.5
67.05503	45.4
68.05823	0.7
69.03423	1.2
69.25339	3.6
70.06583	0.9
71.04982	2.4
79.05494	0.6
81.07057	4.9
83.08604	3.6
85.02907	3.9
91.03941	1.4
91.05476	2.5
93.07033	1.6
95.05000	0.6
95.06071	1.1
95.08591	2.8
97.02876	1.6
97.06516	1.2
103.03931	2.3
107.08556	1.4
109.10153	53.1
110.10490	1.3
111.08078	2.2
112.67785	0.6
119.08583	5.0
120.08144	0.8
127.03858	0.7
132.17941	0.7
137.09677	3.1
155.10663	9.8
162.05461	0.7
173.11725	25.8
222.07716	1.1
229.14343	100.0
230.14702	4.4
273.12427	1.5
300.15836	0.8
312.08661	1.0
346.16397	0.8
365.15323	1.1
382.27139	0.9
383.16809	1.2
410.15842	1.9
426.19238	8.9
427.14505	9.7
427.19388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
56.96553	1.0
57.03432	0.8
62.15651	0.4
67.05504	2.5
68.05025	5.0
69.03410	1.4
69.07066	1.0
69.53437	1.7
70.06583	2.7
71.04989	0.6
71.06878	0.4
79.05479	2.4
81.03427	2.6
81.07057	3.7
81.86574	0.4
83.04991	0.7
83.08608	0.9
84.08141	1.1
85.02897	3.5
86.09703	0.4
91.05470	2.3
93.07033	2.0
95.06087	96.8
95.08572	1.3
96.06418	1.5
97.02905	1.0
97.06542	1.0
97.07642	0.6
97.10143	1.4
98.97588	1.3
101.90915	0.5
105.07012	2.0
107.06056	0.5
107.08601	1.2
108.06865	0.5
109.02856	0.8
109.07684	0.5
109.10134	0.6
110.07087	0.4
111.05566	1.2
113.07124	27.5
115.11234	0.9
116.07129	0.5
119.04918	0.5
119.08596	1.2
121.07614	1.0
121.10121	0.9
123.04436	0.8
124.07607	0.5
127.03902	1.5
129.06952	0.7
131.08556	0.7
133.07611	5.7
133.10133	1.3
134.08186	1.1
135.09204	0.5
136.06161	3.5
145.04930	0.5
147.04396	1.2
147.09200	0.5
147.11702	0.7
149.09622	0.7
151.08687	1.3
162.04117	1.7
175.11116	0.6
193.12169	1.1
203.03694	0.4
205.05406	1.4
211.13289	1.0
214.12695	0.5
223.06435	1.5
232.86592	0.4
247.06506	0.7
259.18134	0.7
261.15988	0.6
263.17419	0.6
264.12357	1.6
264.99509	0.4
265.07434	2.0
277.19070	0.9
279.16980	0.7
283.08466	3.9
287.17523	2.3
295.11624	1.4
305.18573	12.9
306.18912	0.6
307.08569	3.0
323.19626	50.2
324.19968	2.4
325.09610	1.3
339.19168	1.3
367.10696	1.0
367.18594	1.0
382.26978	100.0
383.27310	5.6
426.09488	2.3
426.18091	4.7
426.25894	13.9
427.13565	12.3
427.19345	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10366	0.5
53.03939	1.2
55.01873	1.5
55.05293	0.6
55.05514	7.0
56.96539	0.7
57.03427	1.3
60.04523	11.4
65.03928	0.6
67.05505	13.9
68.05023	8.5
69.03429	5.4
69.07067	3.2
70.06588	1.0
70.70066	1.2
70.71855	0.5
71.04984	1.0
72.04517	1.4
72.08148	0.7
79.05492	8.2
79.70760	0.5
80.05005	2.4
81.03431	2.2
81.07053	11.8
83.04977	2.0
83.08618	4.3
85.02882	0.8
85.06533	0.9
86.06058	1.3
87.83588	0.5
88.76799	0.5
91.05477	6.4
93.07041	7.1
95.04960	6.3
95.08605	7.6
97.06534	1.8
97.10173	1.9
98.06047	12.3
99.95232	0.6
103.98890	0.5
105.07023	4.9
106.35362	0.5
107.04958	2.5
107.08588	4.6
109.06530	1.4
109.10130	4.4
111.08104	1.0
116.07088	12.5
117.07028	1.9
119.08575	4.4
121.06483	0.8
121.10143	3.7
123.08067	1.5
123.11668	0.8
125.09596	0.9
129.06967	0.6
131.08556	2.8
132.06558	4.5
133.10104	3.2
134.08122	15.2
135.08038	1.0
135.11676	1.7
137.09546	1.0
145.10107	3.7
146.08093	0.6
147.11734	1.6
149.09627	4.1
155.08524	1.0
159.11708	2.1
163.11122	3.5
173.13237	1.3
177.12888	0.5
183.11665	1.1
193.04854	0.8
223.13338	1.2
236.13954	0.6
254.17545	1.6
257.19043	0.5
275.20126	2.5
293.21170	0.6
338.19638	0.7
352.24872	1.0
367.17996	3.7
383.26758	0.6
408.11169	0.6
408.27704	5.6
411.14078	0.5
426.28500	100.0
427.10007	4.9
427.15262	0.6
427.18024	0.6
427.26996	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01870	1.7
55.05510	6.9
56.05024	0.4
57.03428	0.9
60.04522	4.5
64.67005	0.4
65.03937	0.8
67.05501	12.2
68.05028	6.9
69.03429	4.1
69.07060	3.4
69.72906	1.2
70.06577	1.4
71.04980	0.9
72.04510	0.9
77.03901	0.4
78.32811	0.3
79.05487	6.9
80.05015	2.3
81.03406	1.1
81.07051	9.7
81.49017	0.3
83.04974	2.2
83.08621	4.3
84.04471	0.5
85.02896	0.8
85.06525	0.5
86.06055	0.9
86.21922	0.4
91.05473	5.8
93.07036	8.2
95.04961	7.4
95.08603	7.2
96.04489	0.5
97.06503	1.6
97.10143	1.1
98.05405	0.5
98.06048	11.0
98.22770	0.6
102.68423	0.3
105.07027	4.6
106.07317	0.3
107.04951	2.4
107.08573	4.8
109.06512	1.5
109.10155	4.0
111.08069	1.0
114.05527	2.1
116.07094	5.7
117.07024	2.1
119.08576	4.0
121.06505	0.9
121.10127	3.7
123.08060	1.3
123.11689	0.7
125.09631	0.8
129.06993	0.6
131.08563	2.7
132.06551	5.6
133.09229	0.4
133.10130	2.7
134.08116	17.9
135.08064	1.1
135.11717	2.1
137.09645	0.9
137.13277	0.5
139.11119	0.6
142.48817	0.3
143.08604	0.6
145.10124	3.4
147.08064	0.5
147.11687	1.3
149.09587	4.4
151.11128	0.7
155.08540	0.3
157.10074	0.3
159.11673	1.5
161.13280	0.8
163.11172	4.2
165.12712	0.6
167.53271	0.3
171.11629	0.4
173.09592	0.5
173.13219	0.5
177.12714	0.5
183.11725	0.5
223.13156	0.8
256.33582	0.4
275.20081	2.3
293.21121	0.5
314.19571	0.5
394.16470	0.4
408.27460	3.3
426.28482	100.0
427.28983	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
54.20822	0.4
55.01867	1.6
55.05512	7.6
56.05034	0.9
57.03421	0.9
58.74042	0.5
60.04527	5.5
65.03946	1.0
67.05504	12.4
68.05034	8.1
69.03436	5.1
69.07071	3.6
69.57886	1.6
70.03761	0.5
70.06582	1.1
71.04990	1.1
72.04508	1.2
72.08162	2.5
75.77780	0.4
79.05496	7.1
80.05004	3.0
81.03417	1.1
81.07055	10.2
83.04972	2.0
83.08614	4.8
85.02902	0.6
85.06548	0.6
86.06075	1.2
91.05489	6.3
93.07040	8.5
95.04969	6.9
95.08614	7.8
96.04468	0.5
97.06535	2.0
97.10162	1.2
98.05463	0.8
98.06058	10.0
104.59515	0.4
105.04539	0.6
105.07040	5.7
107.04949	2.0
107.08597	4.1
109.06519	1.1
109.10160	3.4
111.08067	1.1
114.05552	1.9
116.07090	9.0
117.07027	2.0
118.08727	0.5
119.08577	4.9
121.06501	1.0
121.10140	3.5
123.08054	1.3
123.11692	1.2
125.09644	0.6
129.07010	0.6
131.08595	2.6
132.06580	4.8
133.10132	3.4
134.08136	15.7
135.08060	1.0
135.11699	2.1
139.11098	0.5
145.10178	3.4
147.11685	2.0
148.09854	0.4
149.09618	3.0
151.11205	0.8
159.11699	1.8
161.13205	0.5
163.11203	3.2
165.83937	0.5
173.07887	0.5
173.09608	0.4
173.13275	0.8
173.37723	0.4
214.14536	0.5
223.13280	1.2
239.17784	0.7
275.20056	2.2
328.21155	0.6
390.26358	0.5
408.27588	2.0
426.28503	100.0
427.23309	0.8
427.28918	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.07063	0.5
62.06071	0.4
67.05496	1.3
69.07075	2.0
69.86231	0.3
69.86584	1.1
70.06594	0.6
71.08630	4.8
72.08152	0.7
77.55501	0.4
79.05487	0.8
81.07066	2.2
82.06584	0.4
83.08630	0.8
84.04498	0.6
84.08131	1.2
86.06073	2.3
92.49223	0.4
93.07050	1.1
95.08590	1.4
96.08115	2.2
97.06559	0.4
97.10133	0.4
98.06071	0.6
98.09693	2.8
98.23055	0.8
98.40801	0.4
99.08090	2.7
107.08582	1.0
108.08115	1.5
109.10188	0.5
110.09673	0.6
114.09191	0.5
116.10732	16.2
119.08546	0.4
121.10156	0.4
122.09676	1.5
124.07556	0.5
138.09128	0.4
140.10674	0.8
143.10672	1.2
149.13289	0.5
154.12288	0.5
154.15913	2.9
164.14366	0.6
166.15921	2.1
168.17465	0.9
171.14078	0.4
172.36198	0.3
178.15944	1.3
193.87874	0.4
196.16988	6.7
214.18022	100.0
215.18381	2.7
257.17511	1.2
310.23596	0.8
320.02820	0.4
328.24734	3.2
330.57922	0.4
382.73224	0.3
426.32166	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1375
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
56.96558	6.2
57.40802	0.8
64.31374	0.8
68.05006	0.8
69.03416	1.7
69.65708	0.9
69.66039	3.8
74.41918	0.9
77.83540	0.8
79.91976	0.9
81.03429	0.9
85.02900	2.9
85.91329	0.8
87.00821	1.1
91.05457	1.1
95.06089	3.9
98.97579	7.7
103.07587	2.3
105.01878	1.1
105.07017	2.7
105.59109	0.8
109.02900	1.4
110.97568	1.0
113.07117	1.8
116.98625	1.9
123.63888	0.9
127.03918	3.3
128.98598	1.1
133.10121	3.5
139.00690	2.0
145.05005	1.1
157.01744	1.2
158.99666	1.3
161.09671	3.2
163.09679	1.6
179.03494	1.9
193.05376	6.6
201.49567	0.8
205.05347	5.0
207.03455	1.1
211.06427	5.6
219.01793	2.5
221.04828	2.3
222.79623	0.9
223.06389	20.8
237.02821	2.8
241.07542	5.0
247.06310	7.7
265.07446	9.9
283.08542	8.1
286.99097	0.9
307.08441	2.2
367.10645	21.6
368.11130	1.4
382.26950	1.5
383.27399	3.2
427.13300	100.0
427.19330	31.8
428.13629	5.9
428.19205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03428	0.5
57.07070	0.7
67.05485	0.5
69.03422	1.7
69.53336	1.7
70.06583	0.8
70.12140	0.4
71.04989	0.5
73.02917	0.6
76.93633	0.3
81.03407	1.8
85.02903	4.0
85.06540	0.7
87.00822	1.6
95.06098	4.3
97.02848	2.1
98.22760	0.6
98.97561	0.7
99.04461	1.1
103.07574	4.5
105.01866	1.8
109.02885	1.0
113.07170	2.2
127.03909	3.3
127.07561	0.8
127.28841	0.4
145.04965	1.3
145.08583	0.4
152.18250	0.5
161.08307	0.4
161.09616	0.6
163.09619	2.6
193.05344	0.5
215.13814	0.4
223.06477	2.2
231.05040	1.3
241.07556	0.5
247.06544	0.5
247.13052	0.4
265.07587	0.8
283.08517	1.0
307.20093	0.9
324.20090	0.5
325.21027	0.9
357.11746	0.6
366.27609	1.2
367.10645	2.0
383.27252	0.8
384.28439	2.2
386.35886	0.5
409.18335	14.8
410.18738	1.2
427.13727	10.6
427.19366	100.0
428.19675	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.96553	1.4
60.04503	1.3
66.63799	0.3
67.05481	1.3
68.05008	0.8
68.05822	0.4
69.03411	0.7
69.07065	0.5
70.06551	0.5
70.36794	0.9
71.88139	0.4
79.05473	0.9
81.07037	1.3
82.07378	0.4
83.08575	0.8
91.05457	0.8
92.05811	0.6
93.07030	0.5
95.04932	0.9
95.08598	0.9
97.06511	0.5
98.06048	0.9
105.07023	0.8
107.04952	0.4
107.08562	0.5
109.10111	0.5
116.07043	1.1
119.08598	0.4
121.10118	0.5
132.06483	0.5
133.10162	0.5
134.08112	0.7
145.10110	0.6
146.99590	0.4
165.09116	0.4
188.32140	0.4
213.07962	0.8
225.07993	0.5
231.09000	0.6
245.42990	0.4
251.09528	0.6
255.09018	0.6
269.10596	2.3
287.11588	1.1
331.15775	0.9
349.16815	1.2
367.17917	10.0
368.18253	1.4
385.18857	1.0
408.20169	0.7
409.08929	1.2
427.10620	3.4
427.26590	100.0
428.10028	0.5
428.26913	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.05555	0.7
55.01862	2.6
55.05512	9.5
56.78296	0.7
57.03434	1.6
57.07077	5.3
65.23766	0.7
67.05502	13.0
69.03428	2.5
69.07066	17.5
69.58379	0.8
70.71151	1.4
71.04983	2.1
71.08627	14.3
74.14096	0.9
79.05489	10.2
81.07054	21.8
82.07404	0.8
83.04991	1.2
83.08614	7.0
85.06539	2.6
91.05486	8.0
91.46687	0.7
92.38193	0.7
93.07040	13.8
95.04962	9.8
95.08597	18.0
97.06523	4.4
97.10155	1.3
99.08087	9.1
105.07028	15.5
107.04934	0.9
107.08580	12.8
109.06516	23.5
109.10149	6.3
111.08072	2.2
113.00005	3.8
117.07025	2.3
119.08581	13.0
121.06479	10.4
121.10149	6.7
123.08057	1.9
123.11696	3.4
125.05968	1.0
129.07033	1.1
131.08545	5.5
133.10117	9.4
135.08046	7.2
135.11659	3.8
137.09651	0.9
137.13261	1.0
139.11159	2.2
140.81873	0.9
143.08586	1.1
145.10124	5.3
147.11650	5.2
149.09610	2.7
149.13261	3.2
151.11177	1.3
153.12669	0.9
159.11653	4.2
161.09576	1.0
161.13226	4.8
163.11188	6.7
165.12741	42.7
167.14273	1.3
169.02621	2.0
173.13232	1.4
175.14824	3.3
177.12715	7.7
179.14302	1.5
185.13187	1.0
187.14870	1.0
189.16400	2.2
190.12340	1.3
191.14299	3.2
193.15854	0.9
201.16418	1.9
205.15871	1.2
209.18974	9.4
215.17932	1.0
217.36316	0.8
219.17415	2.5
225.54042	0.8
261.18613	1.9
271.24170	1.0
275.20157	1.6
279.19385	1.9
289.25220	19.9
290.25296	1.0
299.23615	1.4
307.26288	3.4
317.24725	100.0
318.25101	5.8
335.25763	26.2
336.26154	2.0
391.28329	11.4
392.28290	1.3
409.29443	59.0
410.29681	3.9
427.24139	1.6
428.18341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3208
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
55.01869	2.4
55.05507	12.7
57.07071	16.9
57.45888	1.6
67.05504	10.3
69.07064	100.0
70.64902	3.3
71.08637	2.4
71.41843	1.8
79.05483	6.4
81.07050	22.0
83.08612	26.6
88.07608	3.0
89.93423	1.9
91.05474	9.9
93.07024	14.7
95.04985	2.3
95.08605	13.8
97.10168	2.4
104.99285	2.7
105.07009	14.2
107.04888	2.2
107.08556	14.4
109.06488	8.6
109.09313	1.7
109.10159	5.2
111.08098	2.1
115.13399	1.6
116.43133	1.9
119.08564	12.1
119.24582	2.1
121.06464	2.7
121.10134	6.6
123.11696	2.7
125.13275	7.6
126.17372	1.8
129.07018	5.2
131.08560	7.6
133.10135	5.9
135.11713	2.7
137.09601	4.2
137.36465	1.7
140.06458	1.8
143.08577	5.1
145.10132	6.7
147.08055	7.3
147.11694	4.2
149.09612	2.3
157.10156	5.5
159.08084	4.3
159.11705	5.3
161.09595	2.7
161.13286	2.8
163.11145	2.6
163.14816	2.0
165.09132	5.4
169.10222	2.0
171.11728	3.3
175.11212	6.2
183.11548	2.1
187.14767	2.2
219.13791	2.1
235.56973	1.9
257.19025	2.3
262.98099	3.2
285.18457	6.7
299.64438	1.8
301.17508	2.2
303.19601	8.1
339.22992	2.4
344.91623	2.1
346.15430	1.8
363.30612	2.0
391.30051	2.4
409.30981	10.7
409.63712	2.1
427.22458	3.7
427.26996	3.1
427.32162	52.2
428.32465	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83365	1.1
59.91694	1.3
68.43940	1.2
69.53656	4.2
69.53996	2.2
72.70981	1.3
80.45155	1.2
95.17522	1.1
96.70225	1.2
132.16904	1.5
143.31419	1.1
158.17305	1.1
178.77209	1.4
214.89284	1.3
387.08383	100.0
388.08752	5.1
428.11157	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24478	0.5
55.05495	0.8
55.40938	0.5
67.05499	0.7
71.46603	0.6
81.07048	1.3
91.05469	0.8
93.07084	0.7
95.04964	0.8
96.08225	0.5
105.07001	0.8
107.08575	0.8
120.33877	0.6
121.17442	0.6
136.06190	5.9
137.55717	0.5
172.05228	1.0
219.08000	1.0
224.42381	0.6
230.09412	4.3
231.08020	0.8
235.07504	1.4
237.09068	0.8
247.07542	1.8
248.08339	1.9
249.09085	1.1
250.06097	0.8
250.09798	0.7
251.17303	0.6
255.09309	0.9
261.05341	0.6
261.09097	2.0
262.06216	1.1
263.07050	1.7
263.10495	0.9
264.07901	1.0
265.08563	2.5
266.09348	0.6
267.10135	1.0
275.06964	2.1
275.19955	0.5
276.07782	2.2
277.08630	2.1
278.09225	1.3
279.10114	1.7
280.07315	1.5
285.10156	0.7
288.07916	0.6
289.08627	2.7
290.05786	1.4
290.09305	1.5
291.06506	2.0
291.10138	2.5
292.07565	1.1
292.10931	2.2
293.08121	1.4
293.11502	1.2
293.29300	0.6
294.08908	0.7
295.09625	2.0
304.07397	1.6
305.07980	5.3
306.08853	2.6
307.06293	1.2
307.09570	5.8
308.07187	0.8
308.10342	3.1
309.11096	1.3
317.08072	2.4
318.08789	1.7
319.06158	1.1
319.09613	6.6
320.10031	1.0
321.07541	2.1
321.11252	3.7
322.08383	0.9
322.11957	7.9
323.09061	3.0
323.12775	8.1
333.07559	3.8
335.09149	0.9
336.09979	1.5
337.06924	0.9
337.10739	1.8
338.11429	5.0
347.09198	3.2
348.09863	6.5
350.07690	1.2
351.12387	1.7
352.13135	1.5
353.13910	4.3
364.09351	1.7
365.10202	1.9
366.10876	2.1
367.11810	1.1
368.18134	0.8
379.11713	2.1
382.10577	1.7
397.12793	100.0
398.13187	5.2
410.28558	0.9
427.28949	0.9
428.27133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01883	8.7
57.03439	15.6
57.07073	12.3
59.11655	1.6
61.02924	4.5
67.05505	5.4
68.05021	2.7
68.99809	2.1
69.03429	40.7
69.43414	6.1
70.06580	2.2
71.04999	10.2
72.08127	1.8
73.02918	5.4
81.03416	31.8
83.01395	2.0
85.02905	100.0
85.06556	19.0
87.00826	41.8
87.01226	1.1
91.03955	2.5
95.04958	7.1
95.06096	46.8
97.02888	34.6
99.04449	15.8
101.06017	3.2
103.07580	84.2
105.01870	54.0
109.02876	30.9
113.05984	4.5
113.07131	21.4
114.20808	1.5
117.01888	3.6
123.09155	2.1
127.03912	76.7
127.07573	16.7
129.01857	3.0
131.07024	3.5
145.04936	26.4
145.08589	8.8
147.02840	2.8
159.02885	12.9
163.09659	45.0
166.13394	3.0
173.08073	10.8
189.04147	2.0
206.05605	2.0
213.03937	4.6
223.06424	2.3
224.06772	3.3
229.10674	3.5
231.05028	22.0
249.05977	3.4
253.10681	7.1
307.20157	8.5
325.21225	10.7
331.13916	3.0
357.11655	8.1
366.27460	9.5
368.11179	3.4
375.12830	6.9
384.28491	28.1
393.13791	7.3
410.18713	7.4
410.26569	2.3
428.13788	17.7
428.19696	65.4
429.20163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05507	1.6
57.03423	0.5
67.05502	2.5
68.05028	7.0
69.03413	1.3
69.07069	1.5
70.05228	0.4
70.05565	1.3
70.06584	2.4
72.08137	1.0
73.04768	0.4
74.06109	0.5
79.05492	1.6
80.73981	0.4
81.03425	1.0
81.07045	3.8
83.05007	0.7
83.08609	2.1
84.08130	0.6
84.23231	0.5
85.02892	1.8
86.09695	0.8
91.05478	1.3
93.07032	2.1
95.06088	100.0
95.08607	1.6
97.02885	0.9
97.06535	1.2
97.07639	1.1
98.22784	0.5
98.97575	1.1
105.01851	0.5
105.07023	1.2
107.08581	1.3
109.10136	0.5
111.05552	1.9
111.08084	1.3
113.07125	56.0
114.07488	0.9
116.07084	0.5
121.10119	0.8
123.09196	0.6
123.22399	0.4
125.79427	0.5
127.03954	0.5
129.06969	0.5
131.08565	0.8
132.81209	0.4
133.10094	0.8
139.04990	0.6
151.11130	0.5
159.11630	0.5
166.13373	0.9
177.05493	0.7
190.16801	0.4
207.06972	0.5
213.09073	0.8
213.11023	0.7
225.07968	1.3
231.10210	0.7
231.12291	1.8
249.08096	0.9
264.16104	1.3
265.19009	1.0
267.09091	2.4
285.10175	2.6
289.19125	1.3
307.20120	22.3
308.20398	1.0
323.19598	0.5
325.21185	23.8
326.21533	1.5
366.27505	30.0
367.27850	2.5
369.12271	1.0
369.20227	1.0
384.28537	57.0
385.28909	4.2
410.26474	3.2
428.14835	0.7
428.19739	1.1
428.27838	4.4
429.14752	6.8
429.21014	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05512	3.7
57.03433	1.1
57.07073	4.6
60.04530	3.4
67.05508	4.8
68.05036	5.1
69.03432	3.9
69.07064	1.8
70.06590	1.0
72.04494	0.9
79.05489	3.1
80.05024	3.1
81.03395	0.8
81.07056	6.7
83.04974	1.5
83.08614	1.0
85.02892	1.1
85.10172	7.1
86.06083	1.0
91.05486	3.0
93.07063	3.5
95.04964	2.3
95.08594	4.1
97.06511	1.1
97.10162	1.1
98.06056	9.6
105.07058	2.3
107.04956	1.0
109.06522	0.9
109.10172	1.4
113.09644	5.6
113.27538	0.7
114.05495	1.2
116.07084	6.1
119.08591	1.4
121.10138	1.4
123.08089	2.9
129.07048	0.7
131.08578	1.0
132.06561	4.7
133.10118	1.0
134.08113	19.0
137.09608	0.7
147.11694	1.8
149.09621	2.5
155.10669	1.2
161.09988	1.1
163.11237	0.8
165.12747	5.2
175.11197	0.9
179.14297	0.8
195.27245	0.7
196.16957	0.8
197.83145	0.8
206.10027	0.6
216.12636	0.7
258.17105	0.8
264.10440	0.7
277.07962	0.6
277.21643	1.2
290.91702	0.7
295.22714	1.0
410.29108	3.5
428.30124	100.0
429.30466	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1183
Annotation	epsilon-Rhodomycinone
Peak:m/z	Relative Intensity
51.05866	0.4
53.03938	0.8
55.01871	1.1
55.05499	0.7
57.03422	1.2
57.84524	0.4
65.03930	0.5
67.05489	1.3
69.03429	0.5
69.07069	0.4
69.90187	1.2
79.05483	1.1
81.03416	3.0
81.07084	1.0
85.02875	0.9
91.05477	1.0
93.03379	0.8
93.07024	0.5
95.04951	1.2
95.08591	2.0
95.96680	0.4
97.06437	0.4
98.23443	0.6
99.04444	0.4
105.07053	1.1
109.06506	0.4
109.10149	1.5
110.66008	0.3
115.90425	0.4
118.04185	0.4
119.04944	3.9
121.02860	12.1
121.10146	0.7
123.08146	0.4
123.11734	0.4
125.02201	0.4
127.03912	0.5
131.08578	0.8
133.02818	0.5
133.10066	0.4
135.04413	0.6
136.07578	0.9
139.03926	0.7
143.08588	0.6
145.02846	4.2
145.10101	1.3
149.02335	5.1
151.03870	0.5
151.07527	5.8
152.24652	0.5
155.08546	0.4
161.02324	0.7
163.03983	2.1
165.07069	0.4
167.03395	1.8
168.16844	0.4
169.05026	0.5
172.61217	0.4
177.09119	0.6
179.03389	8.6
181.04930	2.9
183.07991	0.5
191.03346	0.9
191.10594	2.2
193.04947	2.9
197.04463	3.2
203.03348	0.6
205.12161	0.4
209.04430	1.0
211.07558	1.0
219.02911	0.5
219.06474	0.7
221.04378	0.9
229.04845	0.5
239.06975	1.2
242.05650	1.0
247.05984	0.5
252.27032	0.4
254.05728	2.6
255.06458	2.0
266.05743	0.5
267.06512	26.7
268.07047	2.4
269.08020	2.2
270.05203	0.8
276.07919	0.8
279.06500	4.8
280.07217	2.2
281.04700	0.7
281.08090	2.4
281.10760	0.5
282.05176	2.6
283.05945	2.8
284.06805	3.4
285.07559	13.1
285.80948	0.5
286.07935	0.7
291.06714	0.4
293.08011	1.5
294.05280	3.6
295.06009	5.4
295.09262	0.8
296.06827	0.9
297.07559	100.0
298.07993	7.5
303.06525	0.5
304.07190	0.6
305.08157	0.6
307.02762	0.8
307.06000	9.8
308.06760	7.6
309.07593	8.1
309.11093	0.4
310.04639	0.8
310.07874	0.7
311.05804	0.9
311.09100	21.8
312.09509	1.3
319.09644	1.2
321.07587	7.8
322.08313	8.4
323.09100	11.1
324.09653	0.6
325.07016	5.8
325.10715	1.7
326.07733	1.2
327.08621	24.9
328.08963	1.8
332.06827	0.8
337.06967	7.5
337.10635	31.5
338.11108	1.6
339.08557	3.2
347.09201	3.6
349.06940	1.7
349.10748	0.5
350.07843	0.7
351.08618	9.8
352.08966	0.9
360.06314	0.6
365.10184	39.0
366.10455	3.5
367.08078	12.2
368.08112	0.9
375.08514	2.8
383.11288	6.0
384.11514	0.7
384.39291	0.4
393.09662	45.5
394.05402	0.6
394.10034	3.8
411.10718	34.9
412.11185	2.8
429.10968	3.3
429.19131	4.4
430.31870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09978	0.7
64.51918	0.7
70.02936	0.8
70.06607	1.7
73.04745	2.2
81.03418	1.5
82.99847	1.2
85.02895	0.7
91.05438	1.8
93.07052	1.0
95.04995	1.2
97.02885	0.9
98.97578	1.8
101.00878	16.5
103.05500	1.3
107.04994	1.3
113.00883	3.6
119.01921	24.6
119.04935	2.4
120.02042	1.2
121.06533	1.5
131.01930	6.7
131.04919	19.6
136.06187	1.2
137.02962	2.7
143.01897	65.9
144.02086	4.1
145.03477	2.5
149.06003	3.7
155.01907	6.1
161.02960	100.0
162.03059	4.6
167.05591	1.9
173.02933	6.0
179.04128	1.2
179.05618	2.3
181.03477	2.9
184.04541	2.8
185.03015	2.5
189.04041	2.1
191.05531	1.8
195.04977	1.4
197.06679	1.4
203.04002	37.9
204.04124	1.4
207.04985	10.6
209.06595	2.8
219.02043	1.6
219.04987	1.0
221.04950	9.3
223.04605	1.4
225.06087	2.8
231.03337	2.5
231.05092	3.0
233.06621	1.4
237.02969	1.0
237.06125	1.1
243.02031	1.8
245.04993	2.3
249.06253	11.7
250.06416	1.3
261.03131	1.2
261.06107	3.0
263.06052	9.8
267.04425	1.9
267.07153	25.9
268.07465	2.5
285.06128	1.3
291.07141	1.1
307.06726	2.5
309.08154	11.2
310.08945	1.0
314.95627	1.0
321.08197	2.5
328.40558	0.9
333.08170	10.9
339.09439	1.2
351.09152	9.4
352.09592	1.0
359.02811	2.5
368.47629	0.9
369.10208	3.7
387.11362	13.8
388.11615	1.7
429.12778	19.6
430.12625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.1
59.50502	0.8
66.56058	0.7
70.06593	2.2
71.45624	0.9
73.04749	1.6
84.04509	1.0
84.08122	1.0
86.09675	1.2
91.05816	2.6
97.54633	0.8
120.04431	5.5
167.05569	1.0
185.07068	1.0
191.03073	1.0
195.02235	0.8
359.02811	1.6
411.12878	1.3
429.13626	100.0
430.14151	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89248	5.4
57.44029	5.4
61.18848	4.7
69.97044	5.4
69.97354	12.0
87.43832	5.0
94.07645	4.9
98.23498	5.2
194.09827	5.1
218.83679	5.5
326.64673	5.5
409.34482	5.4
429.16791	100.0
430.17014	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01876	5.7
55.05510	9.3
57.03431	5.5
67.05500	4.7
69.03425	15.3
69.07059	4.5
71.04993	3.8
73.02911	2.1
77.03924	3.9
79.05489	16.9
81.03406	9.5
81.07057	15.3
83.04974	2.3
83.08587	1.3
85.02898	21.5
87.00824	8.8
87.04472	3.3
91.05462	20.9
92.37939	1.2
93.07041	63.0
95.04974	9.1
95.08588	6.1
95.67340	1.1
96.51940	1.1
97.02885	8.0
97.06529	2.6
98.06076	4.8
99.04472	3.0
103.05443	1.8
105.01874	10.1
105.04504	3.7
105.07036	16.9
107.05004	2.6
107.08589	38.7
108.08917	1.3
109.02889	7.2
109.06499	5.9
109.10150	6.0
111.08070	2.5
115.05453	1.4
117.07011	3.8
119.08590	5.2
121.05597	2.2
121.06495	47.2
121.10138	61.0
122.10429	1.6
123.08089	5.1
125.05975	1.5
126.05565	1.5
127.03901	16.9
130.07791	5.0
131.08586	1.5
135.08092	3.2
135.11688	23.7
136.07581	4.7
136.11948	1.4
139.07620	1.3
139.11182	4.2
143.08578	2.3
145.04936	6.7
145.10117	36.3
149.09668	1.2
151.07574	3.8
153.12744	1.6
158.03351	1.1
159.02902	5.5
163.11171	67.3
164.11497	1.5
164.25150	1.2
171.96132	1.2
173.09663	1.2
181.12224	100.0
182.12558	2.3
191.10651	2.3
200.78157	1.2
231.05078	3.3
244.15440	1.9
250.25299	4.6
253.07788	1.3
259.10846	2.6
286.16553	1.6
287.20166	1.2
288.18176	3.4
291.19650	1.7
297.07520	7.3
327.09109	1.5
337.10703	2.4
365.10455	1.6
374.45590	1.4
393.09512	1.8
411.10394	2.9
412.26938	2.6
413.17850	1.3
429.11823	2.6
429.21573	7.0
430.27805	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05508	10.0
56.48405	0.7
57.03441	0.9
57.07072	1.2
61.02914	0.9
62.99081	0.9
67.05503	2.6
69.03432	2.4
69.07064	100.0
69.54890	2.8
70.06585	4.3
70.07392	1.6
72.08169	2.1
79.05495	0.7
81.03416	1.5
81.07065	0.8
85.02901	4.1
86.09691	3.7
91.05466	1.0
93.00105	2.1
93.07068	0.9
95.06091	1.3
95.08580	0.9
97.02899	1.9
98.97539	0.7
102.98534	1.2
105.07053	1.7
107.08605	1.3
111.11713	12.4
116.07096	0.7
119.08616	0.8
120.99566	10.9
121.06454	0.9
121.10174	0.8
127.03899	1.6
131.08592	1.0
136.07570	14.7
137.09637	1.6
145.10042	1.1
157.09903	0.8
161.06061	0.8
161.09967	2.1
163.11256	0.8
181.12248	3.4
185.09236	0.8
217.53360	0.8
249.11565	22.0
249.14270	1.4
250.11786	1.2
263.10272	0.9
267.12592	54.6
268.13040	1.9
304.09946	0.7
366.33093	0.9
387.12411	0.7
429.16544	4.0
429.21378	20.1
454.31168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.92620	0.5
54.06092	0.5
54.26417	0.5
55.01869	1.5
55.05513	8.2
57.03439	1.5
57.07079	1.9
58.02961	0.7
58.13630	0.6
59.05007	0.7
59.05302	0.5
61.02937	1.2
67.05493	1.9
69.03427	3.0
69.07071	100.0
69.84560	1.2
69.84915	1.2
70.06587	1.8
70.07421	1.0
72.08160	2.3
73.02924	1.8
74.99068	1.6
79.05510	0.9
81.03419	2.2
81.07059	1.1
83.08632	1.8
85.02901	6.6
86.09721	2.4
87.00811	1.2
89.02401	0.7
91.05472	1.0
93.00134	2.0
93.07029	0.8
93.37513	0.6
95.04967	1.1
95.06118	1.7
97.02885	3.4
102.98541	1.5
105.01859	1.3
105.07058	1.3
109.02898	1.4
111.11730	12.6
113.07108	1.0
115.03934	0.8
117.07005	0.6
119.07298	0.9
120.99572	10.4
127.03928	2.0
134.34163	0.6
136.07576	10.2
137.36906	0.5
139.00609	0.8
145.04990	1.8
145.10158	0.6
147.15614	0.5
161.09938	4.2
163.11192	4.2
181.12241	0.8
231.05020	0.7
248.97488	0.5
249.11568	29.3
250.11745	0.9
267.12625	52.0
268.12961	1.7
359.03488	0.6
384.28476	0.7
385.28897	0.9
429.15799	3.8
429.21667	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07851	0.1
68.05009	0.2
68.69299	0.1
69.74701	0.1
70.02934	0.2
70.04494	0.2
70.04815	0.1
72.04522	0.1
74.02438	1.5
78.84565	0.1
79.05500	0.2
84.04494	0.1
88.04018	0.2
91.05481	0.5
93.05770	1.4
100.03969	0.2
104.04972	0.2
108.08042	0.1
109.06515	0.4
118.05020	0.3
121.05239	0.3
121.06514	0.8
127.42426	0.2
130.05035	0.1
136.07570	100.0
137.06017	0.1
137.07921	2.8
138.09135	0.2
139.07510	0.4
146.04462	0.3
146.05998	0.2
148.07480	0.3
150.60786	0.1
160.07599	0.1
162.05513	0.1
162.09103	0.4
164.07080	1.6
164.34102	0.1
172.07529	0.3
174.09196	0.1
184.06241	0.1
184.07695	0.2
186.07855	0.1
188.07193	0.2
189.10219	0.8
190.08621	0.7
192.06514	1.0
199.08611	1.0
200.07028	0.5
201.10222	0.3
209.28897	0.1
217.09724	1.4
235.10745	0.4
245.09233	0.4
263.10248	5.4
264.08466	1.1
268.02649	0.1
281.11322	5.9
282.11676	0.2
301.39594	0.1
311.78586	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13670	0.2
64.32545	0.2
65.89870	0.2
68.05029	0.3
69.07056	1.3
70.02957	0.3
70.04150	0.4
70.06607	0.2
73.02917	0.3
74.02443	1.4
81.07050	0.2
86.09708	0.7
91.05492	0.3
93.05764	1.4
97.02914	0.2
98.22649	0.3
100.03970	0.3
109.06488	0.5
115.51798	0.2
121.05216	0.2
121.06501	1.0
131.92540	0.2
136.07570	100.0
137.07916	2.9
138.09178	0.4
139.06310	0.2
139.07523	0.4
146.04512	0.3
146.06042	0.3
146.98044	0.2
148.07544	0.4
162.05540	0.2
162.09039	0.3
163.11159	0.3
164.07039	1.7
168.07092	0.2
172.07582	0.2
189.10211	0.7
190.08568	0.5
192.06587	0.7
199.08652	0.5
200.07065	0.6
203.13965	0.3
217.09682	1.4
235.10794	0.4
245.09019	0.2
249.11501	0.2
263.10260	5.9
264.08545	1.4
267.12555	0.9
281.11304	6.7
282.11615	0.4
429.15936	0.3
429.21014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1884
Annotation	Trp Ser His
Peak:m/z	Relative Intensity
55.05505	0.4
69.03417	1.0
69.56903	0.8
73.02905	0.5
81.03408	0.9
81.07063	0.7
83.08637	0.3
83.48264	0.3
84.79379	0.3
85.02888	2.3
85.50898	0.3
85.67338	0.3
87.00823	0.6
97.02890	0.9
99.04451	0.4
105.01912	0.5
107.08593	0.4
109.02873	1.0
119.08672	0.4
123.39634	0.3
127.03917	2.0
131.08580	0.5
145.04951	1.0
145.10149	0.4
151.25298	0.3
157.10135	0.6
159.02931	0.5
159.11708	2.0
169.07599	0.4
187.14781	0.6
189.05176	0.4
227.67729	0.3
232.14116	0.6
233.15358	1.1
251.16458	1.1
259.10712	0.5
262.73889	0.3
414.16263	0.4
429.18857	100.0
430.19220	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02171	0.1
51.02385	0.5
53.00311	0.1
53.03941	0.4
53.52855	0.1
55.01875	0.2
63.02040	0.1
65.03938	0.4
67.05490	0.3
69.24776	0.6
69.25172	0.2
69.65309	0.1
72.43869	0.1
75.04486	0.6
77.03921	1.7
78.04713	0.3
79.05493	4.3
80.06271	0.1
81.03430	0.1
89.03937	0.2
91.05480	3.3
93.03421	0.2
93.07039	0.6
95.04965	2.9
95.08607	0.2
103.05470	1.8
105.03397	1.7
105.04482	0.8
105.07027	2.8
106.04177	0.4
107.04949	1.2
108.05724	0.5
109.06505	0.8
115.05466	1.4
116.06232	0.2
117.07030	1.3
119.04936	0.9
119.06055	0.1
119.08556	0.2
120.05739	0.7
121.02873	0.3
121.06506	2.9
122.07321	0.3
123.04424	0.8
123.08075	1.2
125.06017	0.2
128.06244	1.5
129.07002	2.3
130.04172	0.2
131.04938	3.6
131.08553	0.4
132.05675	0.2
133.06491	6.0
134.07002	0.2
135.04414	100.0
135.07864	1.2
136.05055	2.7
137.05983	2.7
137.09569	0.1
138.06801	1.1
139.07561	0.6
141.06990	0.4
143.04941	1.1
143.08557	2.0
144.05698	0.5
145.06482	3.6
146.07233	0.4
147.04451	0.5
147.08043	2.0
148.05191	6.0
149.05991	3.5
150.06781	1.0
151.03918	1.7
151.07547	7.5
152.08348	0.6
153.05472	0.5
153.07007	0.2
153.09140	0.6
155.06044	0.2
156.05743	0.2
157.06483	3.2
158.07256	0.5
159.04427	0.3
159.08070	1.7
160.05234	0.7
161.05980	5.8
162.06763	0.7
163.07549	6.3
164.08333	0.7
165.05489	1.8
165.09125	2.8
166.06255	15.5
167.06998	1.4
168.07849	1.0
169.06509	0.3
169.08679	0.2
171.08049	3.1
172.05215	0.6
172.08804	0.2
173.05978	4.7
173.09650	0.5
174.06763	0.8
175.07544	2.8
176.08334	3.9
177.05487	2.0
177.09100	3.7
178.09723	0.1
179.07021	1.4
180.07825	4.4
181.08592	52.9
182.08951	2.0
183.10176	0.6
185.05977	2.9
185.09621	0.2
186.06749	3.8
187.07538	9.1
188.08304	2.5
189.05482	0.3
189.09097	3.1
190.09869	1.8
191.07024	1.4
191.10530	0.1
192.07837	0.9
193.08601	2.2
194.09424	0.6
195.10161	8.5
196.10536	0.4
199.07556	0.6
200.08308	0.4
201.09102	6.7
202.09856	2.5
203.07016	1.2
203.08798	0.2
203.10620	1.1
204.07787	0.9
205.08525	1.3
205.10114	0.1
206.09386	0.7
207.10159	10.9
208.10547	0.4
209.11813	0.9
213.38051	0.1
215.06876	0.1
215.10678	0.2
216.08029	0.1
216.11403	1.0
217.08568	0.8
218.09370	1.1
219.10127	2.9
220.10771	0.1
220.15477	0.1
221.11734	1.5
221.13745	0.2
231.10176	0.8
232.10945	0.5
233.11717	5.8
234.12230	0.2
237.11237	0.2
245.09515	0.2
245.11861	0.2
247.11147	0.3
247.13322	2.3
249.09071	0.2
261.09000	0.3
262.09869	0.3
263.10687	0.3
275.10657	0.2
277.09073	0.2
277.12228	0.6
278.09546	0.1
278.12656	0.2
279.10147	0.2
279.13614	0.2
291.10214	0.3
292.11105	0.2
292.14493	0.1
293.11716	0.5
295.13324	0.2
305.11719	0.4
306.12515	0.2
307.09766	0.2
307.13107	1.0
308.14066	1.2
309.11328	0.2
309.14771	0.4
311.16315	0.2
320.14191	0.2
321.11014	0.2
322.12033	0.2
323.12744	0.6
324.13455	0.4
326.15161	0.4
337.14340	1.4
338.15100	6.0
339.12354	0.3
339.15842	3.6
340.16238	0.2
341.17398	0.4
342.72531	0.1
351.15927	1.2
353.13708	0.2
354.14612	13.7
355.14996	1.1
367.15396	0.4
369.16965	37.1
370.17291	3.2
387.18008	2.1
411.18060	0.4
429.19098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51736	0.7
56.96561	2.9
69.03405	1.1
70.06584	3.3
72.08149	1.2
84.14092	0.7
85.02909	3.6
86.09715	0.9
88.08145	0.8
89.06033	2.4
91.05844	1.6
93.07034	1.7
97.02882	1.4
103.05454	6.6
107.04928	1.9
120.08096	100.0
121.08443	3.1
131.04938	2.5
136.06171	12.0
140.06841	2.6
145.04979	0.8
149.05890	1.8
163.06058	1.1
166.08626	55.1
167.07047	0.9
167.08994	1.1
222.04402	1.3
370.11517	2.4
429.72318	1.0
430.13663	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33307	1.2
53.17673	1.1
55.01863	1.5
55.05524	1.2
56.57086	1.4
57.03439	28.3
57.07078	16.1
61.02932	9.6
63.04491	21.1
69.03426	25.7
69.31423	6.3
71.01323	2.8
73.02918	58.5
81.03425	2.8
84.04483	1.4
84.08149	1.5
85.02911	41.3
86.09716	10.3
87.04470	3.5
94.77588	1.1
94.84815	1.2
95.06109	1.8
97.02897	41.9
97.08886	1.4
99.04472	2.1
109.02895	2.4
115.03941	34.9
119.10696	100.0
127.03939	13.1
133.04980	11.5
143.11804	1.4
145.04996	11.2
147.04495	2.1
147.07733	1.4
150.07658	1.3
163.03998	1.4
163.05992	4.0
208.22107	1.4
223.06029	3.8
241.07106	5.2
251.15025	3.0
259.08163	4.4
260.16034	1.4
277.09097	1.6
281.15912	4.8
295.10202	3.1
299.05493	4.2
353.06656	1.7
380.67099	1.5
392.10406	1.7
395.07565	1.7
420.62961	1.4
430.21658	2.3
431.18854	5.2
443.37796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68227	0.6
54.73285	0.6
55.05515	1.2
56.05024	1.6
57.03433	0.9
57.34795	0.6
67.05508	6.3
68.02825	0.6
68.05026	2.4
68.05821	1.0
69.03451	1.1
69.07050	1.5
69.41644	1.2
69.42018	2.8
70.06588	4.4
71.05003	1.2
72.08153	5.2
79.05465	1.2
81.03417	1.7
81.04598	0.7
81.07046	2.9
82.06573	1.5
83.04961	0.7
83.06091	3.0
83.08596	1.1
84.04520	0.9
84.08132	3.3
85.02913	2.6
86.09701	8.0
91.05445	0.8
93.07038	0.8
95.04959	1.1
95.06090	5.2
96.06870	27.1
97.07057	1.2
97.07655	23.1
97.08279	1.4
98.22694	1.2
105.07032	1.6
109.07634	40.4
109.10152	2.0
110.10506	1.7
111.05521	0.7
111.09145	0.9
119.08556	1.1
121.10122	0.7
123.09167	4.7
124.08765	0.9
125.07102	4.9
126.10269	28.2
129.06955	0.8
129.10243	4.2
147.04396	1.5
147.11647	0.9
151.08708	2.3
153.06563	3.4
157.13379	1.0
170.09238	38.3
171.09564	0.9
177.05504	0.9
195.15048	0.8
211.78992	0.8
213.12315	0.7
231.10345	1.0
232.10725	1.7
249.11633	1.1
250.11839	1.3
251.09155	1.0
265.19186	0.9
295.20255	1.7
300.55264	0.8
321.69525	0.7
324.20264	1.1
353.20703	3.0
354.20142	1.1
354.23856	8.5
398.22852	100.0
399.23108	7.3
401.11731	3.3
430.25467	63.5
431.13123	12.1
431.18942	2.1
431.25098	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.9
56.05033	2.8
57.03429	1.7
58.99579	2.7
61.01128	1.2
67.05492	6.4
68.05003	1.5
69.03429	5.4
69.07069	45.4
70.06593	8.2
71.04981	4.4
79.05492	7.8
80.04996	1.0
81.03411	1.3
81.07052	10.8
82.06561	1.3
83.04981	4.9
83.08596	1.6
84.04491	3.4
84.08125	1.3
85.02924	6.5
86.05556	1.7
86.06068	33.6
86.09700	1.0
86.99027	2.4
87.04470	23.4
89.00599	2.7
90.00770	0.9
91.05470	5.2
93.07048	13.4
95.04944	1.6
95.08605	6.3
96.08112	1.7
97.06527	7.6
98.06056	78.9
98.09677	1.0
100.07613	1.0
101.02299	1.0
102.69522	0.9
104.07092	3.2
105.00046	2.4
105.07052	2.3
107.04979	1.3
107.08567	4.6
109.06510	1.9
109.10133	3.5
111.11728	10.2
112.07610	1.7
115.55469	1.0
119.08575	5.4
120.78088	1.0
121.10141	8.6
124.07584	5.7
125.06009	1.3
126.05520	15.5
126.09068	1.0
128.07108	2.0
131.08549	4.6
133.10117	1.7
135.08067	1.1
137.05949	2.3
137.09631	8.0
138.12721	1.3
139.11159	2.1
140.07016	1.1
142.08594	3.5
147.36827	1.0
149.09608	17.1
151.07582	1.3
154.08650	4.8
166.12279	4.1
167.10686	1.5
184.13339	9.2
202.14468	1.2
206.15451	4.8
212.16438	1.4
214.14525	1.2
222.14896	2.9
224.16454	8.2
230.17693	1.1
233.12018	39.3
234.12378	1.6
234.14847	4.5
250.25339	8.4
251.12831	3.4
252.15945	31.6
253.16211	1.6
256.15405	1.1
258.16998	25.4
259.17255	1.2
268.26514	1.7
270.17014	2.3
271.05969	5.2
288.18048	100.0
289.18274	4.5
291.19540	4.3
412.26892	28.2
413.26895	2.7
430.27832	62.6
431.28085	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48882	0.6
52.50659	0.7
53.03949	1.2
55.01887	1.1
55.05517	2.8
56.05039	1.4
59.04999	0.8
67.05514	4.7
68.05019	1.5
69.03430	6.8
69.07078	3.2
69.41319	3.2
70.06598	9.2
71.05001	2.6
75.13760	0.6
79.05501	6.7
81.03413	1.9
81.07061	8.8
82.06590	1.1
83.04990	3.2
83.08628	1.2
84.04511	2.6
85.02912	2.9
86.06070	27.9
87.04472	19.9
91.05460	3.4
93.07056	8.7
95.04988	1.7
95.08619	4.5
96.08173	1.1
97.02901	2.2
97.06548	4.0
97.10184	1.5
98.06059	71.0
98.22744	1.1
99.04478	0.8
100.07639	1.3
102.05556	0.7
104.07110	3.3
105.07036	3.0
107.04948	1.1
107.08585	3.9
108.08112	0.8
109.02886	1.5
109.06530	1.1
109.10186	1.9
112.07629	1.6
116.10697	0.9
119.08588	2.1
121.10145	8.7
123.04420	0.8
123.08127	1.1
124.07565	3.5
126.05512	17.2
127.03959	2.7
127.11183	1.0
128.07100	1.4
129.07062	0.8
131.08572	4.9
137.05994	2.4
137.09622	2.0
138.09166	1.0
138.12822	1.3
139.11191	2.7
140.07127	1.1
142.08627	4.8
145.10104	1.4
146.05849	0.8
147.11671	1.3
149.09618	17.2
154.08620	5.1
163.11197	1.1
166.12332	4.9
167.10687	2.4
170.04379	0.9
175.11279	1.0
184.13347	9.8
189.94795	0.8
191.07085	1.9
202.14409	1.8
206.15471	4.5
224.16420	7.3
233.11739	8.6
234.12714	0.6
234.14943	4.3
239.09476	0.6
250.25304	1.9
251.12802	1.9
252.15964	28.5
253.16246	0.9
258.17035	5.5
268.32593	0.9
268.35519	0.7
270.16965	2.3
283.74136	0.8
288.18063	100.0
289.18433	3.7
291.19479	4.3
316.21231	2.5
359.14276	0.9
412.26959	23.7
423.33191	0.8
430.19095	1.8
430.27954	46.0
431.22934	1.1
431.28442	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.168
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.3
69.79935	0.2
71.22086	0.3
77.06381	0.2
79.05092	0.2
81.03433	0.3
81.07043	0.4
83.04941	0.2
86.06052	0.5
87.04472	0.3
93.07047	0.5
93.24254	0.2
95.08582	0.3
98.06069	1.0
105.07014	0.3
119.08589	0.2
119.22637	0.3
122.85388	0.2
130.61903	0.2
145.10046	0.3
157.27499	0.2
190.54761	0.2
201.03694	1.5
234.12067	0.3
252.15825	0.4
253.12090	1.0
269.11493	0.7
288.18106	0.7
289.18417	0.7
413.27335	0.9
431.16766	100.0
432.17059	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29620	0.3
61.12004	0.3
63.41711	0.3
69.03414	0.5
69.07050	0.4
69.29839	1.7
72.08144	0.4
75.94188	0.3
79.05502	0.6
81.07037	0.5
85.02893	0.6
86.09690	2.0
91.05450	0.4
95.04979	0.5
96.20122	0.3
96.29701	0.3
97.02885	0.5
97.06519	0.5
105.07054	0.5
107.08559	0.4
118.30717	0.3
127.03916	0.4
131.08632	0.5
135.11749	0.4
137.09528	0.4
145.10112	0.6
162.58492	0.3
175.10986	0.4
177.05775	0.3
179.84229	0.4
183.13715	1.7
203.13925	0.4
210.74268	0.3
214.95984	0.3
217.15921	0.5
269.13501	2.2
431.18854	100.0
432.19211	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
51.02374	0.1
53.03942	0.2
55.01862	0.3
58.33170	0.1
63.02374	0.1
65.03939	0.4
66.04727	0.2
67.05482	0.4
69.03432	0.1
70.96439	0.2
71.04993	0.1
74.86043	0.1
76.03115	0.1
77.03889	0.6
78.04700	1.9
79.05489	4.2
80.06255	0.7
81.07058	0.5
89.03870	0.1
90.04694	0.6
91.05473	4.8
93.03373	0.2
93.07020	0.6
94.04163	0.4
95.04968	1.6
95.08592	0.3
96.05708	0.1
103.05461	7.7
104.06267	0.1
105.03422	0.6
105.04539	0.6
105.07024	2.6
106.04174	1.6
107.04948	12.3
107.08590	0.1
108.05750	3.4
109.05833	0.1
109.06526	1.6
113.06071	0.1
115.05439	2.1
116.06245	0.3
117.07003	2.1
118.04148	0.6
119.04939	0.9
119.06026	0.2
119.08549	0.4
120.05721	0.4
121.06498	4.2
122.03658	0.8
122.07267	0.3
123.04423	3.3
123.08061	1.7
124.05209	2.0
125.05995	0.5
128.06223	0.5
129.07004	1.2
130.04128	0.1
130.07802	0.3
131.04919	11.7
131.08595	0.6
132.05647	0.5
133.06490	1.5
133.07484	0.2
134.03574	0.4
134.07208	0.4
135.04405	2.4
135.05441	0.1
135.08037	2.0
136.05199	4.9
137.05971	8.2
137.09579	0.2
138.06792	0.3
139.07530	0.2
140.06190	0.2
141.06979	0.8
143.04916	1.3
143.06007	0.2
143.08537	0.5
144.05707	1.0
145.06483	2.8
145.07489	0.1
145.10153	0.2
146.07265	5.8
147.04395	0.5
147.08043	1.9
148.05151	0.3
149.05977	2.0
149.09610	0.4
150.06750	4.9
151.07532	100.0
152.04672	1.3
152.07851	2.6
153.05467	0.9
153.06741	0.2
153.09047	0.2
155.05981	0.2
155.08549	0.2
156.05673	0.3
157.06476	1.9
158.07249	2.9
159.04427	0.7
159.08057	1.8
160.05168	0.6
160.08829	0.6
161.05966	1.9
161.09552	0.2
162.06741	1.2
163.07530	26.5
164.08138	1.1
165.09103	18.2
166.06244	0.2
166.09554	0.4
167.07022	51.6
168.07373	1.4
169.06419	0.5
169.07611	0.2
169.08826	0.1
171.08044	1.0
172.05200	0.6
172.08859	0.8
173.05959	1.3
173.09593	1.0
174.06755	2.5
175.07524	3.1
176.08269	0.8
177.09094	33.6
178.06194	0.3
178.09404	1.2
179.07048	0.6
179.10649	2.0
180.07799	0.2
181.08575	1.7
184.08868	0.4
185.05946	0.2
185.09604	0.2
186.06761	0.8
186.10419	0.8
187.06215	0.1
187.07526	3.6
188.08302	2.2
189.09085	9.7
190.09592	0.5
191.10655	2.2
192.07860	0.1
193.08601	4.1
193.10341	0.3
194.09018	0.1
195.08368	0.1
195.10143	0.8
200.08311	0.3
201.09094	10.6
202.09837	1.7
203.10652	6.4
204.07776	0.3
204.11003	0.2
205.08601	0.7
205.10262	0.2
205.12161	0.2
206.08977	0.2
207.10123	1.1
209.07953	0.2
215.08757	0.2
215.10609	1.3
217.08546	0.2
217.10222	0.3
217.12199	4.3
218.09204	0.1
218.12587	0.2
219.10130	2.2
221.09587	0.3
221.11613	0.2
226.09903	0.1
227.10739	0.2
231.08058	0.3
232.08809	0.4
233.09538	0.8
233.11728	2.6
235.07497	0.1
239.10625	0.2
244.08879	0.1
245.09581	0.5
246.10281	0.3
247.11166	0.6
248.11894	1.2
249.09061	0.6
251.10597	0.3
258.10373	0.2
259.07330	0.1
259.11029	0.2
260.08481	0.3
261.09088	1.0
262.09647	0.2
263.10663	0.3
264.07825	0.1
264.11389	0.4
265.12180	0.3
274.10080	0.3
275.10602	1.1
276.11383	1.1
277.08572	0.4
277.12180	0.4
278.09164	0.2
279.10565	0.2
279.13773	1.5
280.11050	0.2
280.14444	0.1
289.12170	0.4
291.10382	0.2
292.10870	0.8
293.11658	1.1
294.12198	0.2
305.11823	0.2
307.13235	5.0
308.13995	2.7
309.11179	0.3
309.14587	0.3
311.16324	0.2
321.14929	0.2
324.13675	0.6
325.14236	0.3
335.16525	0.2
337.13797	0.1
339.15881	18.9
340.16330	1.4
356.16135	2.0
357.16821	0.4
363.15948	0.1
364.16620	0.2
369.16956	0.5
371.18491	11.1
372.18900	0.8
389.19556	2.6
389.24585	0.2
395.18347	0.2
413.19516	0.3
431.20230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.6
55.01868	2.3
55.05515	11.7
56.05035	1.5
57.03436	3.8
67.05515	9.4
68.05016	1.9
69.03419	5.7
69.07057	4.2
69.76814	5.8
69.77159	1.4
70.06574	2.7
71.04999	2.8
73.02915	2.8
79.05490	11.5
80.05018	3.2
81.03416	42.1
81.07062	12.9
83.04982	9.3
83.08616	17.6
85.02914	3.2
85.06576	1.7
87.04475	2.3
91.05481	13.2
93.07029	6.5
94.06558	3.3
95.04973	11.6
95.08611	6.4
97.02882	7.4
97.06537	6.3
97.10162	4.0
100.08729	1.3
100.11271	1.5
105.07036	9.7
107.04957	2.4
107.08608	4.8
109.06551	4.1
109.10154	3.4
111.04446	1.8
111.08092	7.0
115.03899	2.2
117.07047	2.4
118.06562	2.3
119.08554	7.9
120.04444	1.7
121.06534	1.9
121.10145	4.7
123.08037	1.4
129.07008	4.9
130.06523	46.9
131.08549	6.5
132.04440	16.3
132.08067	2.5
133.06511	1.4
133.10143	5.9
137.09668	2.4
144.04445	3.4
144.08096	2.5
145.10124	1.6
146.05994	3.2
147.08054	2.6
147.11681	6.5
148.12073	1.4
149.09612	3.7
151.07590	2.7
157.07614	46.9
157.08940	2.4
157.10062	8.3
158.04706	2.4
158.06012	43.3
158.08011	2.7
159.09207	1.6
168.08098	1.9
169.07602	2.6
175.08672	58.3
175.10976	7.1
182.61530	1.7
184.09938	1.6
185.07100	2.4
186.05440	3.1
187.98640	1.5
193.12242	34.5
195.09261	3.0
197.10704	1.9
203.08157	100.0
204.06541	2.7
204.08441	3.0
208.09991	2.0
211.13304	70.6
212.13661	1.7
221.09201	54.6
225.10220	2.6
229.07159	3.7
247.08057	2.2
265.09201	4.4
270.09845	1.4
271.87149	1.5
343.20047	1.7
349.19052	2.5
351.20602	4.5
367.20377	1.5
369.21747	3.2
385.21100	2.2
395.19440	2.3
413.20581	25.1
414.21082	1.7
431.12878	2.5
431.21893	39.5
432.22150	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05506	8.3
64.10836	2.0
67.05504	14.7
69.03427	2.8
69.07065	5.8
74.88637	1.8
76.52375	2.0
79.05492	12.4
81.03411	3.0
81.07053	100.0
83.08585	3.0
85.02895	12.2
91.05471	9.8
93.07044	22.0
95.04964	4.5
95.08601	54.8
97.02861	3.6
97.10190	4.9
97.60545	2.2
105.07030	35.6
107.08591	33.1
109.06496	2.7
109.10137	19.8
111.08072	3.1
113.06001	2.9
119.08573	46.0
121.06462	2.1
121.10132	13.7
123.11707	37.5
127.03857	2.7
131.08592	4.8
133.10129	27.9
135.11671	19.7
136.12453	1.9
137.09583	2.4
139.07552	2.8
145.04901	3.8
147.11682	14.2
153.09067	5.7
157.10162	5.7
159.11662	3.6
161.09566	4.5
161.13254	55.3
161.14532	3.8
163.06081	2.9
172.30197	2.1
175.14839	3.0
189.16374	86.2
190.16774	2.8
199.14877	4.1
217.15868	19.3
235.14542	3.3
235.16913	63.1
236.17204	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32758	0.3
63.37149	0.3
63.87014	0.3
66.37514	0.3
67.05468	0.5
69.07054	0.4
69.24960	1.7
71.09805	0.3
75.04451	0.5
79.05466	0.6
81.07017	1.1
82.14399	0.3
85.06554	0.3
91.03259	0.3
91.05456	0.4
93.07015	1.6
94.07329	0.4
94.74793	0.3
95.08569	0.9
98.22684	0.6
105.06998	0.5
107.08575	0.7
109.10106	0.9
111.08054	0.6
112.04301	0.3
121.10112	0.6
133.10043	0.5
135.11646	0.8
137.05815	0.3
147.11674	0.5
151.07353	0.3
161.13210	0.3
176.06290	0.5
179.08490	0.5
189.05435	0.3
189.06987	1.2
189.10609	0.3
190.07722	1.0
191.08594	1.8
195.08003	0.5
202.07672	0.3
203.08440	0.5
203.17886	0.4
204.05652	0.5
205.06361	2.0
206.07166	1.0
207.08083	2.1
208.08781	1.5
209.09511	0.5
217.06511	0.9
218.07259	2.5
219.08035	4.8
220.08786	1.7
221.05972	1.8
221.09596	1.4
222.06723	0.3
223.07521	0.6
225.41624	0.4
227.06894	0.4
230.07216	0.6
230.11911	0.4
231.08002	0.6
232.05180	2.2
232.08815	0.7
233.05945	2.1
234.06731	3.1
235.07513	7.7
236.08293	3.5
237.09068	2.5
239.06889	0.5
239.10669	1.0
245.06032	1.6
246.06779	3.8
247.07529	7.6
248.08273	9.0
249.05467	2.1
249.09056	2.9
250.06221	4.0
250.10078	0.3
251.06987	1.1
251.10661	5.6
260.04749	0.6
260.08316	1.1
261.05447	1.1
261.09100	1.0
262.06238	1.5
262.09305	0.3
263.07013	10.4
263.10553	1.8
264.07797	9.6
265.08557	5.8
266.06143	0.3
266.09204	0.8
267.10141	0.6
274.06177	0.8
275.06998	48.4
276.07669	7.4
277.04935	1.0
277.08548	7.8
278.05765	1.9
278.09293	2.8
279.06613	1.7
279.10114	16.2
280.10577	1.2
281.08105	0.3
290.05515	0.5
291.06500	3.2
291.10117	4.3
292.07288	8.5
292.10394	0.4
293.04663	0.5
293.08011	10.0
294.08673	1.6
295.06036	0.4
295.09586	0.4
298.64737	0.3
303.06540	4.8
304.07242	1.5
305.08057	2.6
306.08850	2.1
307.09613	35.6
308.06714	0.6
308.10052	2.4
309.11166	19.8
310.11560	1.4
319.06009	0.8
320.06793	1.1
321.07544	1.7
323.09070	4.2
325.10574	0.4
335.09103	45.9
336.09451	3.0
337.07263	0.3
351.08557	0.6
352.09381	10.9
353.10156	100.0
354.10477	5.7
389.06686	0.4
403.37961	0.3
411.33859	0.3
432.23547	0.6
433.05853	63.9
434.06085	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0682
Annotation	mollicellin F
Peak:m/z	Relative Intensity
53.97773	20.4
55.24088	21.0
56.04140	21.2
60.29199	22.7
69.47959	23.1
70.08302	51.1
98.22805	33.3
154.23572	24.7
329.03311	26.0
419.30768	26.6
433.06989	100.0
442.70432	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.03904	0.3
55.01840	0.9
57.03393	1.0
58.38840	0.3
60.48149	0.3
61.02891	0.3
61.64988	0.3
65.03902	0.6
67.05469	0.4
67.50997	0.3
68.99775	1.0
69.03387	1.2
69.37859	1.3
72.08138	0.4
73.02888	0.3
73.45064	0.3
81.03396	1.4
84.08102	0.5
85.02898	2.7
86.09633	0.3
87.04427	0.6
91.05429	1.0
92.99738	0.4
95.04932	0.5
97.02875	1.9
98.23408	0.7
98.97547	0.3
103.03888	0.6
105.07027	0.7
107.01275	0.3
107.04898	0.6
109.02846	1.9
115.03919	0.7
119.04198	0.3
119.04942	4.0
120.08057	0.5
121.02859	9.4
121.03823	0.5
123.00812	0.4
129.10187	0.3
131.04909	0.5
133.04971	1.4
137.02330	0.4
141.01830	1.5
145.02850	3.2
145.04900	0.4
147.04378	0.7
149.02318	2.4
153.01784	0.7
159.04346	0.4
163.03896	4.5
165.01830	18.1
166.02130	0.7
167.02061	0.3
167.03397	3.5
169.02806	0.4
175.03888	0.7
177.01822	2.0
177.05463	0.8
181.04877	1.1
183.01369	0.5
183.02890	4.5
183.04430	0.6
187.03926	1.9
189.01816	0.9
190.99620	0.3
191.03339	1.6
195.02881	2.0
205.04979	1.2
205.47873	0.3
211.07513	0.5
215.03362	0.8
227.07068	0.3
229.04903	1.4
231.02875	0.5
233.04430	0.4
239.06998	1.2
242.05708	0.4
243.02898	1.5
255.06471	0.7
256.07224	0.9
261.03995	0.5
267.06503	9.9
269.04443	0.4
270.05222	3.1
271.05991	5.6
272.06415	0.5
279.06470	1.2
280.07248	0.4
281.04822	0.4
281.08063	7.6
282.08359	0.4
283.05991	100.0
284.06631	14.1
285.07382	1.2
291.06454	0.5
293.08029	1.0
294.04962	0.4
295.02612	0.5
295.05981	10.9
295.09610	2.6
296.06345	0.8
297.03928	1.0
297.07565	3.1
305.08087	3.0
307.06003	2.4
308.06729	2.3
309.04007	1.8
309.07529	22.0
310.07907	1.2
311.05447	0.8
313.07040	67.2
314.07352	4.3
320.06683	0.6
321.07516	2.7
323.05612	0.8
323.09103	15.0
324.09460	1.3
333.07498	3.2
335.05389	0.6
336.05768	0.4
337.07028	35.0
338.07373	2.4
349.07074	10.5
350.07620	0.9
351.08691	3.0
355.08054	0.4
361.07043	9.2
362.07407	1.0
367.08109	22.6
368.08560	0.8
379.04111	0.3
379.08084	18.9
380.08185	1.3
397.09149	19.7
398.09674	1.3
415.10196	13.2
416.10431	1.1
433.11066	5.8
434.11359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03937	0.6
55.01870	0.8
55.05472	1.2
57.03404	1.2
65.03916	0.4
67.05486	0.7
68.99797	0.6
69.03396	0.6
69.07038	1.2
71.04964	1.1
79.05468	1.1
81.03409	0.9
81.07037	0.9
83.04951	0.7
85.02892	0.9
87.00819	0.5
89.09312	0.4
91.05441	0.9
93.03384	0.4
93.07000	1.6
95.04948	0.4
95.08576	1.6
97.06479	0.4
98.22698	0.8
100.11186	0.4
105.07004	1.3
107.08546	0.8
111.04437	0.5
118.65557	0.4
119.04942	3.7
119.08553	0.9
121.02866	5.1
121.04063	0.4
121.10104	1.0
123.00742	0.9
127.03877	0.9
131.04869	0.5
137.02336	0.6
137.09569	0.9
141.01805	1.4
145.01826	0.4
145.02774	2.0
145.10023	0.6
146.17419	0.4
147.11707	0.8
149.02321	0.6
149.13261	0.5
153.01759	0.6
159.11671	0.6
161.02368	0.5
161.13213	0.6
163.03917	2.7
165.00439	0.9
165.01833	17.8
166.02156	0.5
167.03377	1.5
167.14363	1.8
177.01784	1.0
179.03395	2.1
181.04915	2.7
183.02902	5.3
187.03841	1.3
189.01794	1.3
191.03365	0.9
205.01288	0.4
205.04904	0.8
207.02936	0.5
209.04500	0.7
210.14908	0.4
218.16144	0.4
221.07892	0.6
228.82938	0.4
229.05052	0.6
233.04407	0.7
239.07129	0.4
255.06509	0.6
256.07202	0.5
261.03946	0.5
267.06467	3.9
270.05154	1.9
271.05994	14.7
272.06308	0.5
279.06543	4.8
281.04843	0.5
281.08075	9.9
283.05988	100.0
284.06549	10.1
285.07169	0.5
287.05316	0.6
294.05264	1.6
295.06009	16.1
295.09528	1.4
296.06378	0.7
297.04050	1.4
297.07529	16.7
298.07773	0.6
305.08121	1.6
307.06006	14.5
308.06686	3.8
309.04037	1.7
309.07516	21.2
310.04739	0.5
310.07898	0.9
311.05463	6.2
311.09042	1.8
312.06177	1.3
313.07031	23.3
314.07300	0.9
323.05438	6.4
323.09143	16.3
324.06030	0.7
324.09506	1.1
325.07080	3.8
333.07559	5.2
335.05496	4.1
335.09042	0.8
336.05969	0.8
337.03226	0.4
337.07019	10.5
338.07474	0.6
341.06458	0.7
341.10208	0.5
351.08603	20.1
352.08960	1.1
353.06522	6.8
354.06934	0.5
361.07040	3.9
369.09702	4.8
370.10370	0.4
379.08090	39.0
380.08499	2.8
397.09155	64.0
398.09628	4.1
403.13678	1.0
415.10193	25.0
416.10608	1.4
432.76239	1.1
433.11105	2.7
433.26266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.23584	0.1
61.22060	0.1
67.01855	0.3
68.99805	0.2
69.80394	0.2
69.80744	0.1
73.73903	0.1
75.52255	0.1
89.75418	0.1
91.05489	0.3
93.07032	0.1
93.86178	0.1
98.23386	0.1
119.04947	1.8
120.78684	0.1
121.02894	0.5
129.01768	0.1
145.02814	0.5
153.01834	4.5
163.03912	0.5
171.02911	0.4
181.59445	0.1
186.52876	0.1
187.03931	0.1
197.06030	0.1
203.07010	0.1
225.05489	0.3
229.05003	0.2
243.06520	0.3
247.06111	0.2
270.05103	0.1
271.06015	100.0
272.06351	4.9
315.63644	0.1
433.11392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16586	0.6
69.03415	0.7
70.05609	1.2
70.06586	1.3
72.08134	1.2
74.06052	0.8
81.03389	0.7
81.07056	1.2
85.02907	1.6
86.09691	2.2
91.05469	1.2
93.07045	0.7
97.02871	0.6
104.47439	0.6
105.38734	0.7
114.06985	0.6
119.79519	0.5
121.06548	0.6
138.00035	0.5
141.10167	0.9
143.08495	0.6
151.93817	0.6
153.05424	0.5
159.09227	0.6
171.77318	0.6
181.04962	1.0
185.07845	3.6
187.10767	1.8
205.11818	0.8
213.07385	2.6
254.11015	0.8
329.12094	2.6
336.69861	0.6
347.13138	12.9
348.13477	0.6
389.14166	43.8
390.14462	1.8
433.13174	100.0
434.13510	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1471
Annotation	Captopril disulfide
Peak:m/z	Relative Intensity
53.00175	0.6
57.02585	0.7
69.82348	1.0
69.82697	1.9
70.06577	1.0
72.08142	1.4
74.06080	0.8
85.02892	0.7
86.09674	1.0
137.05919	1.3
169.18835	0.6
169.20422	0.6
175.03670	4.9
188.01463	0.8
192.71353	0.6
274.97385	1.0
338.66531	0.7
433.14612	100.0
434.14859	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08155	1.2
73.62170	0.3
74.06092	0.4
86.09704	1.8
94.25994	0.3
96.08047	0.2
131.04959	0.5
200.13832	0.3
209.02702	0.2
219.27161	0.3
228.13240	0.4
229.13699	0.4
301.12607	3.0
302.12662	0.3
353.76483	0.3
430.79071	0.3
433.16812	100.0
434.17166	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1857
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
51.02393	0.8
53.03938	0.4
55.01891	0.3
56.01360	0.3
65.03931	0.4
67.05491	0.5
69.14610	0.7
69.15016	0.9
76.85938	0.3
77.03908	1.6
78.04712	1.4
79.05489	6.1
80.15774	0.3
81.07040	0.6
91.05482	3.3
93.07047	0.6
95.04953	3.0
95.08608	0.3
95.40594	0.3
103.05462	10.0
105.03411	1.9
105.04517	1.2
105.07030	4.9
106.04156	0.8
107.04955	4.9
109.06526	0.6
109.10258	0.3
110.75022	0.3
112.45435	0.3
115.05450	2.3
117.07003	1.2
119.04949	1.1
121.06478	1.2
122.03587	0.6
123.04436	3.2
123.08058	0.8
124.05241	1.6
125.05978	0.5
128.06241	1.5
129.07007	2.3
130.04234	0.3
131.04919	14.6
131.08574	0.9
132.05670	0.3
133.06477	4.7
135.04407	100.0
135.07980	3.7
136.04713	2.7
137.05984	2.9
141.06952	0.7
143.04924	1.5
143.05946	0.4
143.08533	1.8
144.05684	0.9
145.06445	1.7
145.10033	0.3
147.04398	0.5
147.08035	1.3
149.04855	0.4
149.05975	6.0
151.03934	0.5
151.07532	3.3
152.04675	0.9
155.08572	0.4
157.06497	1.1
158.07231	0.9
159.04436	0.3
159.08034	0.8
160.05225	0.6
161.05963	15.1
162.06294	0.6
163.07532	19.6
164.07861	0.7
167.07030	42.9
168.07498	2.0
169.07973	0.3
171.08035	1.5
172.05162	0.4
173.05975	2.6
173.09572	0.6
175.07552	2.1
179.07007	0.7
181.08562	1.8
185.05957	2.7
186.06725	1.1
187.07521	3.0
189.09093	0.5
191.07036	0.4
193.08600	4.0
195.10054	0.5
199.07527	0.5
201.09070	3.2
205.08527	1.0
205.10188	0.7
207.10162	1.0
210.14619	0.3
215.08531	0.6
218.07199	0.5
218.09241	0.4
219.10135	4.2
233.09508	1.4
233.11391	1.5
261.09003	0.9
263.10605	0.8
265.12183	0.4
273.09152	0.3
291.10159	1.7
293.11688	1.5
295.13193	0.3
308.10373	0.4
323.12762	6.4
325.14291	0.8
355.15387	6.2
356.15671	0.3
373.16391	0.8
433.08954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1878
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
55.05507	2.8
59.04995	1.2
64.66887	1.3
67.05495	5.3
71.46879	1.9
79.05503	1.4
81.07055	2.0
83.08648	1.9
84.19933	1.3
91.05490	3.0
95.08639	1.6
97.10204	1.5
107.08604	2.6
109.10175	3.1
119.01832	1.5
119.08577	9.2
120.08936	4.9
125.09615	2.2
125.38140	1.3
135.08051	3.6
135.28955	1.4
158.31010	1.5
181.73354	1.2
229.14270	2.2
251.05646	2.8
273.07837	1.6
277.07230	3.0
291.08798	100.0
292.09134	3.1
308.55838	1.3
309.09964	6.3
314.10464	1.8
328.32095	3.0
332.11368	3.6
333.09695	1.9
353.21881	2.2
373.16647	12.0
391.17661	47.3
392.17725	1.9
401.20050	1.9
403.10184	1.5
415.17841	3.6
421.01590	1.3
433.18671	16.2
434.38547	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.01854	0.2
65.03937	0.4
66.04729	0.3
67.05502	0.5
69.26591	0.6
75.04473	0.6
77.03905	0.3
78.04710	0.5
79.05489	1.5
80.06268	0.7
81.07023	0.3
89.03902	0.3
90.04697	0.9
91.05474	5.2
92.06290	0.2
93.07037	0.6
94.04205	0.2
95.04950	1.5
95.08608	0.2
97.06537	0.2
98.23493	0.3
103.05456	1.1
105.03389	0.5
105.04530	0.2
105.07019	1.7
106.04161	1.0
107.04955	6.8
108.05742	3.7
109.06579	0.9
109.10140	0.2
111.96291	0.2
115.05454	0.5
117.07023	1.2
118.04160	0.7
119.04939	0.4
119.08563	0.3
120.05720	0.6
121.06506	3.2
121.10149	0.3
121.56258	0.2
122.07299	0.3
123.04451	0.9
123.08073	0.7
124.05192	0.2
125.05968	0.3
128.06189	0.3
129.06999	0.4
131.04912	2.3
133.06490	2.5
135.04401	3.0
135.08034	1.8
136.05196	8.7
137.05983	6.2
138.06764	1.8
139.07535	0.6
141.06943	0.2
143.04984	0.3
143.08588	0.3
144.05684	0.4
145.06479	2.2
146.07272	1.8
147.04407	0.3
147.06868	0.2
147.08041	4.4
148.05186	9.9
148.08510	0.3
149.06058	1.1
149.09529	0.4
150.06740	2.0
151.07536	100.0
152.07860	2.8
153.05508	0.4
153.09093	0.5
156.05638	0.3
157.06465	0.8
157.10153	0.2
158.07246	0.6
159.04422	0.2
159.08063	1.1
160.08830	1.0
161.05994	2.8
161.09615	0.8
162.06766	1.0
163.07532	4.7
164.08267	0.7
165.05464	1.1
165.09113	9.1
166.06255	8.4
167.07050	2.1
168.07765	0.3
171.08084	0.9
172.08820	0.5
173.05998	0.9
173.09595	0.5
174.06743	1.0
175.07552	2.2
176.08311	3.4
177.09100	11.6
178.06261	0.2
178.09683	0.7
179.07011	0.7
179.10674	1.3
180.07806	1.7
181.08588	62.9
182.08978	2.2
183.09990	0.2
184.08865	0.2
185.09595	0.4
186.06778	0.2
186.10460	0.7
187.07486	1.2
188.08293	1.8
189.09100	3.6
190.09857	1.2
191.07016	0.4
191.10666	4.1
192.07846	0.6
192.10999	0.2
193.08600	3.7
194.09332	0.5
195.10168	4.3
201.09109	1.3
202.09854	1.9
203.07031	0.8
203.10654	2.9
204.11211	0.3
205.08588	0.5
205.12254	0.3
206.09464	0.4
207.10146	5.0
208.10672	0.2
209.11697	0.6
215.10645	0.2
216.11430	0.6
217.08736	0.4
217.12213	3.3
218.09338	0.5
219.10155	1.1
221.11662	1.2
231.10179	0.3
232.10780	0.3
233.11703	2.4
235.13344	0.2
247.13336	1.1
251.12752	0.6
276.11481	0.2
291.13800	0.3
309.14911	0.4
323.16418	0.8
324.16992	0.5
337.14243	0.2
340.16681	13.8
341.17014	1.1
352.16315	0.4
353.17474	0.5
355.19006	6.9
356.19217	0.6
369.16888	0.6
383.18375	1.0
384.19254	2.4
385.15805	0.3
385.20090	0.3
400.18762	5.0
401.19278	0.4
415.21155	4.0
416.20999	0.3
433.22025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.01863	7.7
55.05263	4.2
55.05511	46.8
57.07061	4.5
65.03920	6.8
67.05502	77.2
69.07066	37.3
69.75289	14.0
71.04987	4.3
73.06538	6.9
77.03919	6.4
79.05489	75.2
81.07050	93.5
83.04971	13.4
83.08619	42.2
84.08949	5.2
85.06543	12.4
90.90530	3.6
91.05476	96.0
93.07040	69.5
95.04980	21.0
95.08611	58.5
97.06534	20.9
97.10159	11.3
98.22672	4.8
103.05481	4.4
105.07028	75.3
107.04953	6.3
107.08585	30.1
109.06507	13.1
109.10155	19.3
111.08078	20.5
115.05464	11.8
116.06213	4.7
117.07017	67.4
119.08579	72.3
120.08918	7.7
121.06493	10.6
121.10136	32.8
123.08063	16.4
125.09636	9.4
128.06232	13.8
129.06995	66.5
131.08566	100.0
132.08842	4.2
133.06480	11.9
133.10109	29.2
135.08066	10.8
135.11685	15.4
137.09598	7.2
139.07474	4.4
139.11220	10.6
141.06949	24.0
142.07779	4.7
143.08546	57.7
145.06496	11.9
145.10121	42.9
147.08047	11.2
147.11705	11.4
149.09621	18.2
149.13249	6.0
151.11185	6.8
153.06931	4.5
154.07771	3.8
155.08527	41.9
157.10126	38.3
159.08075	11.5
159.10275	4.4
159.11659	26.1
161.09624	9.6
167.08557	15.8
169.10120	23.2
170.10773	3.8
171.08003	5.0
171.11694	16.0
173.13295	7.3
175.11205	6.6
177.12766	12.0
179.08534	7.7
181.10083	25.8
183.11700	12.2
185.13210	10.5
187.11171	6.2
187.14851	6.2
189.11243	7.0
193.10159	14.8
195.11700	24.2
197.02075	6.9
197.09605	7.7
197.13251	14.8
199.11069	6.6
199.14819	5.9
201.12805	5.7
205.12170	5.1
207.11754	9.5
209.13222	13.6
211.11224	5.8
211.14810	10.0
213.12706	10.8
219.11630	4.9
219.13715	4.4
221.13316	21.9
223.14812	24.2
225.12723	5.3
225.16318	4.6
227.14381	5.9
235.14842	11.0
239.14256	14.2
241.15869	12.2
247.16843	11.6
253.15796	4.5
259.16995	7.6
271.05936	5.6
271.17001	12.8
285.18460	9.4
305.22543	4.3
315.20959	7.2
319.15460	4.6
323.23572	10.4
333.22159	29.7
341.24786	12.7
351.23166	60.5
365.24710	6.0
369.24155	30.8
373.27258	9.0
383.25803	13.7
401.26862	48.0
402.27048	5.7
415.28235	14.3
433.13553	4.5
433.23413	6.7
433.29092	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62241	1.4
53.03947	8.0
55.01863	11.2
56.96568	9.1
57.03436	8.4
61.02923	5.3
67.05511	2.0
68.99787	1.5
69.03430	28.9
69.31430	1.4
69.46042	3.1
69.46426	3.4
69.66855	1.3
70.06584	3.2
71.04974	6.4
71.51785	1.9
72.08155	3.0
73.02903	9.6
75.97067	1.7
76.85440	1.6
81.03412	39.8
84.08148	3.5
85.02901	100.0
86.09709	4.0
87.00826	37.1
87.34825	1.5
88.13081	1.6
91.03963	2.3
93.03396	2.0
95.04961	2.2
96.04478	1.8
97.02887	44.9
98.06022	2.0
99.04448	21.7
105.01859	54.2
107.04958	2.2
108.04497	3.7
108.38731	1.7
109.02872	41.8
110.07210	1.6
111.04414	3.6
117.01864	5.6
118.08655	6.4
127.03910	85.1
129.01875	3.6
129.10213	2.3
131.04951	5.5
137.06006	2.3
140.06963	1.5
144.49318	1.5
145.04953	42.6
147.02901	3.2
151.03896	33.0
151.05064	3.6
159.02881	25.3
163.03882	2.6
163.07568	3.4
163.11087	1.5
169.04909	11.1
170.99736	2.1
176.05556	1.5
189.00690	2.8
189.03903	2.4
191.64291	1.6
198.68344	1.5
206.09087	4.3
213.03943	5.2
231.05000	24.1
237.00690	5.2
249.06116	2.7
255.01698	8.3
255.12401	3.0
273.02768	6.3
277.16245	1.5
292.58475	1.5
316.17651	2.4
318.19028	2.1
336.07019	1.9
340.05090	1.9
399.09131	4.8
411.05856	4.0
416.22311	2.0
429.06955	13.6
434.17062	13.2
434.23660	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.93547	0.8
65.03913	0.9
67.05520	1.4
69.88247	0.8
69.92916	2.6
79.05499	0.9
81.07069	1.1
91.05468	1.8
97.06592	0.8
98.22966	2.0
103.01820	1.3
109.10107	1.4
111.04427	0.8
121.02865	3.1
135.04443	6.6
142.50728	0.9
148.05176	1.5
149.02350	36.5
149.03473	1.9
151.07558	3.5
153.05489	1.2
163.03900	48.2
163.04988	2.8
164.04211	1.6
173.11629	1.0
177.05467	1.1
177.09143	1.8
181.08609	11.4
193.04968	32.5
194.05255	1.0
194.11642	0.8
207.06523	100.0
208.06821	3.9
214.07762	0.9
237.07585	65.8
238.07996	3.2
275.57742	1.1
339.62302	0.8
341.06580	1.3
343.08154	1.9
347.72601	0.8
359.07657	2.1
373.09225	15.9
385.09125	6.6
399.10718	26.3
399.17984	3.2
400.10931	1.7
417.19077	3.4
434.26581	1.7
434.32477	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1811
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03934	1.3
55.01850	1.1
57.03421	2.3
61.02929	4.4
62.62929	0.7
69.03426	5.6
71.99312	0.7
73.02903	1.2
75.04476	1.0
81.03410	2.9
85.02899	12.7
87.00823	0.9
87.04420	1.0
91.03950	2.6
91.05476	1.1
93.05532	3.4
93.06998	0.9
95.04940	1.6
97.02900	6.7
98.97617	1.1
99.04449	1.7
103.05473	2.0
107.04949	100.0
108.05284	2.1
109.02888	1.1
115.05453	5.4
117.07025	1.7
119.04928	1.1
121.06478	3.1
123.04421	13.9
127.03887	4.5
131.04941	3.1
133.06485	1.8
137.05977	2.3
140.06845	2.2
141.27802	0.7
143.04915	11.4
145.04933	2.1
145.06480	11.2
149.05988	2.6
161.05974	27.5
163.06020	2.9
163.07413	1.1
164.07085	5.6
166.07973	0.8
181.06435	0.9
194.07210	1.4
209.09613	3.0
219.07991	0.8
237.09146	3.7
245.35052	0.8
255.10147	34.9
256.10468	1.2
272.12799	25.4
340.18216	0.8
420.13239	0.9
434.18069	89.2
435.18564	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05512	4.6
55.23642	0.4
56.05033	1.4
57.03437	5.9
57.07077	1.3
57.86957	0.4
58.99279	0.7
58.99584	14.0
61.01149	4.4
62.99070	2.4
65.03912	0.5
67.05502	16.6
69.07063	2.7
70.06625	0.6
71.04988	1.8
71.05333	0.5
71.08629	11.8
72.08148	0.6
75.02699	0.6
76.02226	66.7
76.03982	2.3
77.00626	1.3
79.05488	3.2
81.03409	0.5
81.07051	4.4
83.04955	0.8
83.06107	3.8
83.08624	2.7
84.04504	21.2
84.08157	0.4
85.01140	1.0
85.02901	0.5
85.06555	1.0
86.99066	2.1
87.02695	1.4
88.02233	1.4
89.00618	12.7
91.05497	0.5
93.07010	0.9
95.08603	1.5
97.06529	0.5
97.10167	6.7
99.02688	1.1
99.05582	1.3
99.08095	13.9
103.02173	0.9
105.07020	1.7
107.08587	4.4
109.06509	0.5
109.10157	14.7
114.03773	0.9
115.05730	0.4
116.01678	13.3
116.05571	0.4
117.03747	0.5
117.07059	0.5
119.08582	0.7
123.11675	0.6
124.02237	0.5
125.04224	0.7
125.09679	0.6
126.12794	3.7
127.11194	28.3
128.11591	0.4
129.06581	4.4
130.04033	0.3
130.04985	7.8
133.10135	1.1
134.10478	0.5
141.04834	0.8
141.07355	1.7
142.03214	5.1
144.01144	7.2
145.10097	0.8
147.11615	0.6
151.11203	1.4
153.06656	0.5
159.08383	100.0
160.08707	1.9
161.13185	0.4
162.02199	25.8
167.08893	1.0
167.14252	0.5
170.02710	1.3
179.04849	41.5
180.05313	0.6
181.04892	0.8
184.11560	4.5
185.09993	0.7
187.05289	2.1
195.08469	0.5
199.07100	0.5
201.16260	0.7
202.12595	23.3
203.12901	0.7
212.49644	0.4
215.04924	0.5
219.17421	1.2
233.05925	7.1
240.09889	0.4
245.05896	2.1
270.11578	0.7
272.07086	0.5
273.12415	0.8
279.11771	0.5
287.14224	89.6
288.12592	3.5
288.14868	1.9
305.15259	12.9
306.15521	0.5
308.09024	2.5
341.15433	1.1
359.16324	22.9
360.16464	0.9
371.16293	1.2
416.18640	0.9
417.16815	0.7
434.19388	6.6
435.20120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01872	1.9
57.03437	27.4
59.04989	3.0
60.04520	2.0
61.02928	6.9
61.74465	0.9
69.03427	64.2
69.49789	3.5
69.50144	1.5
71.01349	1.3
71.04981	2.4
73.02917	27.1
75.04474	1.0
78.60828	0.8
79.05501	0.8
79.42002	0.8
81.03404	4.0
81.07037	1.3
85.02902	100.0
87.04466	39.5
87.05011	1.5
91.03941	3.3
93.07037	1.6
97.02889	70.5
98.03256	0.9
98.23440	1.6
99.04449	3.2
101.02380	1.8
103.03949	0.9
105.07022	10.5
107.08581	1.2
109.02874	7.3
111.04444	1.2
115.03927	88.6
116.04292	1.1
117.06968	1.3
119.08548	1.8
127.03914	22.8
131.04930	1.3
133.04964	75.1
133.06552	2.9
133.10251	1.1
134.05197	1.1
139.03941	1.0
145.04955	38.9
145.10046	1.8
147.08034	2.2
150.07590	14.2
150.08693	1.3
154.67439	0.9
163.06017	23.1
167.07043	0.9
169.04985	1.5
171.08080	1.6
177.05377	1.2
180.08638	1.6
181.04939	1.9
189.09053	1.4
201.09073	2.4
219.10164	3.5
219.17441	2.2
223.06017	2.0
229.07162	1.0
231.10019	1.1
237.11082	1.3
241.06999	3.7
249.11179	1.4
259.08023	5.9
277.09229	2.5
285.13358	8.1
295.10172	4.1
303.04956	2.7
416.22681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01862	0.7
55.05515	1.9
57.03434	10.3
59.04996	0.8
61.02923	1.1
65.03935	0.4
69.03418	2.5
69.47130	1.6
70.06579	0.6
71.01369	0.8
71.04990	72.5
72.05328	0.8
73.02912	2.6
75.04475	5.2
79.05511	0.7
80.65247	0.3
81.03411	0.8
81.50140	0.5
82.61936	0.4
83.04975	8.3
85.02900	100.0
86.03241	1.2
87.04459	2.4
91.05478	21.2
93.07026	0.4
95.04940	0.5
97.02890	6.9
99.04456	1.5
101.06046	0.5
103.03931	1.1
105.07021	2.3
107.04955	15.0
107.05679	0.8
108.95444	0.4
109.02862	1.2
110.06040	0.7
110.48693	0.4
111.04442	6.2
115.03902	0.8
117.06966	0.5
120.08128	0.4
127.03915	4.3
129.05472	46.7
130.05833	0.7
131.08537	0.4
133.06464	2.3
137.05949	4.8
139.03938	0.4
145.04950	3.1
145.06448	1.4
146.08092	1.2
147.06519	25.1
151.03882	0.5
151.07542	0.7
161.04433	0.7
163.05980	1.3
164.09181	7.3
165.07677	0.6
171.06541	0.5
175.07503	1.6
181.04930	0.5
187.10710	0.5
207.13681	0.4
217.08493	0.5
225.07539	0.7
233.08087	0.5
235.09665	0.6
237.07480	1.3
253.10606	0.6
255.08583	2.6
273.09579	1.3
275.69684	0.4
295.86313	0.4
300.80283	0.4
309.11768	2.2
412.66318	0.5
434.23703	0.4
435.08368	0.6
436.71710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
57.03187	0.9
57.03438	10.4
64.74440	0.8
64.74761	1.0
65.02094	0.7
69.03421	3.3
69.51991	4.1
70.01936	0.9
75.04481	5.3
79.05445	0.9
81.03419	2.7
83.03927	0.8
85.02901	11.8
91.05486	5.4
93.07043	1.6
95.04957	1.8
97.02880	2.6
99.04422	1.0
103.05461	29.4
104.05862	1.0
105.07018	2.0
107.04959	1.0
109.02898	1.0
109.06540	1.1
110.03674	4.9
119.04945	9.9
121.06512	7.1
123.04408	10.9
124.05199	3.1
127.03925	1.9
131.04924	100.0
132.05203	1.9
133.06445	1.3
135.04462	1.0
135.08038	2.3
137.05965	19.8
138.06758	16.9
145.04990	1.8
147.04373	1.6
148.05179	11.6
149.06068	1.4
151.07515	8.2
158.07130	0.8
161.06018	4.1
162.06656	1.5
162.73485	0.9
163.07536	71.4
164.07869	1.3
166.06248	17.3
175.07545	2.4
179.06979	4.6
180.07759	1.7
181.08594	29.6
182.08951	1.1
185.81598	0.9
201.09137	1.2
205.08525	0.9
207.10126	1.1
219.10118	3.2
237.11197	16.3
255.12273	61.3
256.12778	2.2
339.53049	1.0
399.16510	1.2
434.17694	0.9
434.23495	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90949	1.1
55.01853	1.2
57.03439	18.7
59.04989	4.8
61.02922	3.1
69.03427	69.2
71.30948	1.7
73.02890	2.1
73.08453	1.3
75.04467	2.3
76.77177	1.1
76.85535	1.3
78.40323	1.2
80.18359	1.2
81.03410	3.7
85.02901	64.1
87.04463	49.5
87.05009	1.9
91.03960	1.2
91.05502	1.9
97.02890	61.5
97.06504	1.2
99.04424	3.8
103.03930	1.2
105.07053	6.0
109.02868	3.9
115.03928	91.0
116.04256	1.9
119.08519	1.3
127.03913	11.3
131.04907	2.5
133.04959	100.0
145.04939	22.7
147.07977	2.4
150.07588	10.9
151.03909	1.4
158.04474	1.3
160.95801	1.3
163.06023	8.0
163.07883	1.2
169.04926	2.0
175.06099	1.0
189.09125	2.0
201.09113	2.1
201.16327	1.4
219.10146	2.3
223.05922	1.5
232.12695	1.2
241.07022	2.9
259.08160	5.7
277.09399	2.2
279.25592	1.2
285.13361	3.3
295.10205	3.3
319.54962	1.1
343.20422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25068	0.6
51.31356	0.6
55.05516	0.8
60.21047	0.6
66.77502	0.6
67.05519	1.3
69.16954	1.2
69.17345	3.3
81.07048	0.7
90.81705	0.7
91.05468	3.6
93.07046	0.6
95.04990	0.7
96.16413	0.7
97.10134	0.8
98.22790	1.4
99.12955	0.6
106.04183	0.7
107.04926	4.7
107.08548	0.8
108.05704	2.1
109.06618	0.7
117.06978	0.6
118.04146	0.7
121.06491	2.8
123.08000	0.6
131.04918	0.7
133.06419	0.6
135.04420	1.4
136.05202	4.0
137.05936	1.4
138.06720	0.8
139.07535	0.8
139.08736	0.6
145.06485	1.0
146.07234	2.9
147.08076	1.2
148.05162	6.0
149.05971	1.2
151.07535	100.0
152.07860	2.6
159.08012	0.7
160.05188	0.9
161.05988	2.0
162.06783	1.4
163.07512	2.6
165.05531	0.9
165.09200	1.0
166.06239	4.9
175.07545	3.7
176.08322	12.4
177.09100	11.9
179.07014	7.1
180.61264	0.7
181.08586	56.0
181.53738	0.6
182.08945	1.8
188.08340	1.3
189.09079	3.3
191.07033	3.8
192.07735	1.5
195.06464	0.7
197.08594	0.6
203.10666	0.7
205.02522	0.6
207.10161	20.7
207.19255	0.7
208.10439	0.6
219.10054	0.9
221.08141	1.2
222.18486	0.8
227.12799	1.0
235.09628	1.0
244.79405	0.7
277.04999	0.8
277.83771	0.6
279.12283	1.2
293.11835	1.3
308.14014	2.1
318.12521	2.1
319.13361	1.9
327.57526	0.9
335.12747	2.3
339.15845	4.2
349.14355	4.7
350.15125	2.9
351.85580	0.6
367.15405	8.9
374.22174	0.7
381.16971	6.0
399.18002	37.3
400.18137	2.4
410.55701	0.7
417.19073	23.7
418.19495	1.5
434.09244	2.2
434.32520	2.1
435.27139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
69.73771	0.6
69.74090	1.0
70.57037	0.4
77.03934	1.2
79.05498	3.8
91.05457	3.2
93.07011	0.8
95.04957	1.6
98.23491	0.6
98.39616	0.5
99.99081	0.5
103.05460	1.5
105.03391	1.1
105.04527	0.8
105.07029	4.7
107.04945	3.5
108.05724	1.6
115.05419	0.7
117.07012	1.7
119.04935	0.7
119.08614	0.7
121.06525	4.9
123.04462	0.8
123.08045	1.0
128.06204	0.8
129.06975	1.0
131.04929	3.6
131.08554	0.6
133.06488	19.5
134.06790	0.5
135.04411	100.0
136.05280	4.4
137.05986	1.3
141.06956	0.5
143.04903	0.6
143.08578	1.7
145.06506	4.1
146.07275	4.6
147.08046	7.9
149.06004	3.9
150.06789	2.6
151.07542	73.7
152.07849	2.0
153.07008	0.5
157.06529	1.7
159.08041	1.5
160.08852	0.8
161.05974	3.4
162.06750	1.5
163.07541	12.0
165.09103	13.6
171.08031	1.9
172.05043	0.6
172.08850	0.8
173.05995	1.6
175.07576	1.9
176.08322	1.1
177.09097	27.0
178.09451	1.1
186.06677	0.6
187.07544	2.0
188.08363	1.3
189.09038	3.0
191.10712	2.0
201.09105	5.5
202.09813	0.7
203.10663	5.5
205.08513	0.8
207.06540	1.0
217.12219	3.4
235.13316	0.8
278.12936	0.9
307.13177	1.5
308.14008	0.6
309.14822	7.0
309.47507	0.5
311.16714	0.6
312.88315	0.4
321.14807	1.8
324.13510	7.2
339.15909	33.9
340.16153	2.4
353.17059	0.7
357.16965	2.0
387.78946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05502	15.4
57.03435	6.1
58.14864	3.7
67.05502	16.9
69.03426	8.4
69.07058	15.2
69.29102	18.1
71.04990	16.9
76.02236	3.5
76.92609	3.6
79.05492	25.4
81.03396	6.1
81.06622	5.7
81.07058	65.3
83.08627	5.9
85.02902	20.0
85.06532	16.5
88.66680	3.4
89.99088	3.3
91.05474	25.5
93.07047	64.7
95.04977	8.1
95.08609	32.3
97.02883	6.4
97.06522	7.1
99.08111	7.6
105.07028	52.0
107.04912	4.6
107.08591	100.0
109.02853	4.9
109.06527	6.5
109.10155	37.4
111.08070	8.1
117.07037	9.7
119.08603	22.8
121.10136	53.4
123.08114	4.0
123.11699	26.5
123.43264	4.1
125.09615	12.1
127.03954	6.8
131.08521	15.4
133.10130	39.8
135.11707	13.2
142.98132	3.4
143.10672	18.6
145.04984	6.8
145.10112	29.3
147.11646	7.8
149.13257	57.9
151.11174	9.1
159.11681	20.8
159.45981	3.2
161.13277	17.3
163.11157	7.1
163.14873	5.0
167.14316	33.0
176.07080	8.0
181.05017	3.7
201.16368	26.1
204.06578	7.2
219.17465	39.7
237.18529	10.0
287.14304	4.9
339.07697	4.4
413.14221	4.6
413.63965	4.3
416.20456	11.2
422.14746	5.2
434.20773	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93333	3.6
55.05518	9.5
64.77845	4.0
67.05508	24.2
69.03416	7.0
69.07071	6.9
70.73779	6.8
71.04990	6.6
79.05492	26.4
80.21066	3.7
81.06575	5.8
81.07053	100.0
85.02917	17.5
85.06559	6.0
87.06637	4.1
87.32495	4.5
91.05481	27.7
93.07047	59.2
95.04966	9.7
95.08602	41.0
95.47453	4.2
97.02922	6.7
97.06556	8.1
105.01872	7.8
105.07020	44.2
107.08586	39.2
109.06528	7.6
109.10168	30.1
111.08064	10.1
117.07020	7.8
119.08591	33.7
121.10126	24.1
122.78535	4.3
123.08101	5.0
123.11737	10.0
127.03899	5.7
131.08617	13.9
133.10139	28.3
135.08017	5.1
135.11726	19.1
137.09653	9.7
138.85721	4.1
145.04916	8.2
145.10114	40.8
147.11716	10.0
149.09673	5.1
149.13353	5.0
151.11201	9.6
159.11642	30.5
161.13295	12.2
163.11229	29.0
167.07069	8.9
173.13319	7.7
175.14767	5.3
181.05019	4.6
191.17867	4.6
193.26509	4.8
201.16370	44.2
219.17432	54.9
237.18570	4.4
272.06427	6.1
281.47388	4.2
380.93723	4.0
450.73517	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.05501	11.6
57.03419	4.2
59.04998	6.9
65.68356	4.7
67.05505	22.4
69.03426	7.8
69.07075	11.9
71.04981	46.3
79.05495	23.7
81.07056	80.9
83.08613	8.3
84.11646	4.8
85.02888	23.9
91.05486	27.4
93.07045	85.4
95.04973	10.2
95.08606	62.7
97.02905	11.5
97.06560	7.9
97.10169	6.0
105.07029	79.7
107.08592	78.2
109.06521	5.3
109.10146	43.2
111.08088	9.0
117.07003	10.6
119.08560	44.5
121.10149	35.3
123.08105	6.8
123.11723	20.9
125.09618	20.0
127.03921	13.6
127.11137	4.6
131.08569	20.0
133.10121	100.0
135.11685	11.9
137.05948	7.6
137.09650	5.4
143.08499	4.9
143.10677	34.7
145.04929	6.8
145.10110	54.3
147.11702	18.1
149.05974	8.4
149.09621	5.1
149.13203	26.1
151.11189	15.0
159.11697	43.0
161.13251	23.0
163.11159	12.3
167.14304	50.6
168.14514	4.2
169.12201	6.6
173.13341	5.0
177.12793	5.3
191.17975	7.1
201.16357	64.3
203.18005	8.2
219.13914	5.7
219.17435	97.0
219.19499	8.0
237.18523	19.1
267.73935	4.3
298.46674	4.4
376.88037	3.9
434.21674	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.8
55.81012	3.6
59.04986	4.8
66.91177	4.0
67.05504	12.9
69.03416	6.0
69.07075	19.3
69.22724	18.6
69.23115	9.9
71.04993	9.9
78.10835	3.9
79.05504	21.8
81.07067	55.9
83.08640	7.4
85.02933	9.7
85.06547	10.0
91.05499	20.7
93.07048	55.4
94.03806	3.8
95.04980	7.3
95.08608	46.0
97.06548	9.9
99.99610	4.0
105.07034	51.0
107.08603	100.0
109.06536	5.6
109.10151	28.5
111.08103	9.3
117.07070	4.3
119.08601	28.0
120.06506	3.8
121.10152	52.4
123.08096	4.7
123.11714	11.3
131.08582	11.9
133.10175	15.3
135.11693	17.3
141.69778	3.6
143.10670	4.3
145.10114	31.3
147.11732	6.6
149.13240	53.4
151.11214	13.9
159.11745	22.7
159.40013	3.6
161.13281	29.8
163.14854	3.7
167.14375	8.8
173.13383	4.4
201.16377	24.5
208.40779	4.5
219.17488	10.6
272.06458	5.9
434.22000	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57359	0.4
55.01860	0.7
55.05507	1.7
63.62782	0.4
65.03937	0.8
67.01862	1.2
67.05508	0.9
68.99820	0.5
69.03429	0.7
69.07059	1.6
69.19529	2.2
75.04470	1.0
78.04729	0.6
79.05489	0.9
81.07050	1.5
83.08620	1.2
85.02899	1.4
85.06531	1.1
87.12754	0.4
91.05468	3.7
93.03406	1.9
93.07052	2.9
95.04967	1.1
95.08590	0.8
96.80894	0.4
97.06528	1.1
100.07660	0.5
100.11257	4.5
103.05485	0.6
105.07030	1.3
106.04166	5.0
107.08605	1.5
111.04469	1.2
119.04951	0.6
121.06507	4.3
121.10133	1.3
125.06008	1.6
128.07114	0.8
133.10150	0.5
134.03629	0.6
135.11668	0.6
137.05988	1.0
141.11516	0.9
147.04407	0.5
147.11754	0.6
149.05972	6.9
149.13272	1.3
153.05508	0.6
153.09081	2.3
153.12816	0.6
154.06387	0.5
155.07053	0.7
162.13701	0.5
165.05505	0.5
166.06387	0.4
177.05482	3.5
177.12585	0.5
180.07788	0.6
181.05003	2.8
181.08606	4.5
182.15408	2.6
201.16333	0.6
207.08046	0.6
208.07286	0.7
209.08083	13.1
209.16542	0.7
210.14928	2.7
219.08139	0.7
225.07503	1.0
227.17618	0.5
228.15846	0.6
234.06795	0.6
235.07523	0.8
247.07570	1.0
248.08266	0.8
249.05539	0.5
249.09055	0.5
252.10199	0.9
260.06918	0.7
261.05460	0.7
262.08755	1.2
263.07001	1.3
263.09525	0.9
265.08722	0.5
273.07748	0.9
274.08679	1.9
277.08594	0.9
279.10202	2.7
280.10461	0.4
286.08585	1.5
288.06500	1.3
290.08133	1.4
291.06314	1.0
295.09695	0.5
300.06528	0.9
301.07373	1.0
302.08109	12.2
303.08743	3.9
304.09485	0.8
306.11224	6.2
307.09579	2.3
314.08084	0.8
315.05334	0.9
315.08780	2.3
316.06146	1.4
319.08405	4.1
323.09082	0.9
328.06088	0.7
330.07584	8.1
330.11111	0.7
331.08368	3.2
331.74652	0.8
332.09134	2.5
333.09320	0.5
340.75000	0.6
341.39706	0.5
342.07367	0.7
343.08344	1.2
344.05630	0.9
346.10703	29.1
347.11072	1.7
348.12650	0.7
351.08456	0.9
353.76004	1.4
358.07117	6.6
359.07834	10.5
373.11783	0.9
374.10223	11.6
375.10495	1.1
376.26740	0.5
390.09726	12.7
391.13559	0.5
392.11240	0.7
402.06012	0.7
403.06772	0.6
417.29099	0.9
418.09210	24.1
419.09482	1.7
435.11844	100.0
436.12311	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
58.48666	0.6
63.57441	0.6
63.62491	0.5
65.03930	0.5
67.05482	1.6
69.03385	0.6
69.07056	1.0
70.06603	0.5
70.46325	0.9
81.07036	1.3
91.05462	4.7
92.04996	5.0
93.07027	1.1
94.06562	0.9
105.07035	1.4
106.06538	1.6
107.04938	0.7
107.08587	0.8
109.10162	0.6
115.05442	2.6
117.05756	2.4
117.06991	3.4
118.06535	62.6
119.07348	1.5
119.08564	0.7
120.08095	1.8
129.06998	0.7
130.06494	2.3
132.08083	2.3
135.08072	0.6
137.05937	1.8
142.06523	4.8
143.07327	3.8
144.08083	23.6
145.06482	0.6
146.06000	100.0
147.06306	2.4
155.06056	0.8
159.19073	0.6
160.07594	1.2
163.07460	0.7
167.07005	1.3
170.06006	7.2
176.07082	0.7
187.07352	0.6
188.07051	69.5
189.07404	2.3
202.15945	5.1
230.15378	58.8
231.15788	2.1
248.16443	90.3
249.16856	4.4
273.14990	0.6
288.15894	1.9
306.17075	0.9
417.21817	1.0
435.22845	45.7
435.28522	1.8
436.23114	3.9
436.28519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.259
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
53.03945	7.0
55.01866	12.7
55.05510	29.1
56.07866	4.4
57.03434	9.8
57.07079	7.6
59.04990	15.8
59.36481	4.7
65.03962	5.8
67.05496	29.8
69.03428	22.2
69.07067	16.7
70.06589	7.2
71.05004	23.7
71.45889	5.2
72.08149	11.0
79.05490	31.7
81.03378	10.3
81.07050	81.2
83.04944	11.9
83.08642	10.3
85.02901	49.6
85.06543	35.8
85.52264	4.8
86.06879	7.4
86.09718	7.3
87.00829	12.2
87.04467	5.9
91.05470	34.3
93.07050	100.0
95.04979	15.4
95.08604	68.2
97.02898	20.4
97.06531	19.4
99.08071	10.2
103.05448	8.8
105.01876	18.1
105.07037	56.1
107.08588	71.7
108.08952	4.9
109.06516	7.9
109.10188	26.8
111.04417	4.8
117.07035	10.9
119.08582	38.8
120.08104	9.9
121.06432	6.0
121.10132	32.2
121.68871	5.3
123.08070	39.2
123.11697	13.4
125.06005	4.9
125.09676	14.3
127.03917	21.5
129.06967	8.0
131.04895	8.0
131.08586	18.9
133.06476	6.0
133.10141	46.2
134.10419	6.1
135.11690	67.0
137.09604	5.3
137.13257	11.8
141.09129	29.9
143.10660	7.0
145.04912	11.1
145.10146	28.9
147.04475	5.5
147.11684	8.9
149.09663	11.4
149.13268	10.8
151.11201	12.7
153.12752	12.1
155.10733	5.5
157.10121	8.1
159.10176	77.8
159.11696	23.4
159.57596	5.2
161.13243	22.7
163.11324	6.0
163.14812	12.5
167.07047	11.1
167.10667	6.4
167.14322	8.8
169.12236	9.8
175.11151	5.5
178.56747	4.4
179.14331	8.9
181.04936	10.7
201.16454	16.2
219.17458	32.9
221.15346	16.8
233.08000	5.3
237.18419	12.1
238.15115	6.8
255.15916	11.2
256.16287	22.4
281.13763	8.0
337.58521	5.1
377.15637	15.2
435.20023	31.4
435.25241	7.9
436.21640	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
55.01862	0.7
56.96565	0.7
57.03428	2.9
59.04980	0.5
61.02934	0.6
69.03429	11.9
70.06583	1.1
72.08137	0.6
73.02892	0.7
77.03896	0.6
79.05482	3.8
81.03440	0.9
84.08143	0.9
85.02897	7.7
86.09702	0.6
87.04462	7.8
88.12997	0.6
91.03995	0.7
91.05455	0.7
95.04954	2.7
97.02880	7.7
99.04424	0.5
103.03948	1.8
105.04465	0.7
106.06539	2.1
107.04948	100.0
108.05271	1.8
109.02887	0.6
109.06480	0.8
115.03931	12.5
119.04922	1.8
120.08112	1.0
121.02887	0.8
121.06501	2.2
123.04401	1.4
123.08087	0.5
127.03909	1.3
131.04918	6.4
133.04961	13.1
135.07983	0.6
137.05954	0.8
139.03891	0.5
145.04939	1.9
145.06491	1.1
147.11641	0.6
149.05986	2.0
150.07613	1.9
154.39751	0.5
161.05943	0.7
163.07686	0.6
167.06996	1.0
169.04965	0.5
173.05975	3.8
174.11172	0.4
177.09157	2.1
182.05643	0.7
191.07033	6.5
192.03294	0.6
194.70772	0.4
196.49464	0.5
197.08136	2.8
203.07045	0.5
220.06392	0.9
221.11674	0.8
229.06465	0.5
239.09172	3.4
241.07065	0.6
245.06003	1.0
259.08054	0.6
267.09070	1.3
273.05481	1.2
277.09091	0.6
285.10144	0.8
291.06485	2.7
295.10303	1.1
309.07556	0.8
375.08548	1.4
437.12521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2106
Annotation	Cryogenine
Peak:m/z	Relative Intensity
53.34332	1.1
55.01862	12.5
55.05504	9.9
55.47353	1.1
56.05018	1.5
57.07072	6.1
58.99583	9.1
61.01149	2.8
61.93511	1.1
62.99074	10.4
67.05503	9.5
69.03421	2.7
69.07065	100.0
69.33087	5.8
70.02943	2.9
70.07416	1.6
71.04980	2.6
71.56174	1.0
73.01134	2.1
74.00665	19.4
76.02232	6.2
76.04001	5.9
79.05486	2.3
81.07042	3.8
83.06077	5.8
83.08610	5.0
84.04504	43.8
85.01136	2.7
85.02914	4.0
85.04041	2.6
86.99051	8.6
87.02691	37.1
88.02209	11.7
88.03027	1.6
92.01688	1.3
93.07038	5.4
95.08603	2.9
97.02930	1.3
97.06552	1.4
99.02678	4.1
99.05584	2.9
101.04235	4.8
107.08589	5.7
109.02831	1.8
109.06515	1.2
109.10136	4.3
110.18801	1.2
111.11718	13.1
112.03260	2.0
112.03967	15.4
113.04259	3.1
114.42622	1.1
115.05743	1.4
116.01676	35.8
127.03904	2.4
129.06589	11.0
130.04996	56.2
131.04485	1.2
135.11691	7.5
136.61171	1.3
137.05974	1.3
142.03232	1.4
143.08897	22.2
144.01158	18.1
145.05060	2.0
145.06062	9.8
153.06580	1.7
153.12752	3.1
155.08180	1.0
159.08374	18.1
160.00662	1.3
161.09952	26.9
162.02196	89.2
163.02501	1.7
169.10435	11.3
171.13802	2.8
177.03273	10.7
179.04845	2.0
179.10699	4.6
185.03844	1.6
186.13124	8.5
186.14665	1.6
187.11517	21.0
199.07100	1.2
204.14192	12.8
226.40327	1.1
272.10187	2.2
272.13141	41.8
273.13437	2.0
289.15784	16.5
290.14172	69.9
291.14526	4.4
307.16840	45.0
308.17078	1.9
343.16901	2.3
361.17902	35.0
362.18250	1.9
373.17902	2.0
418.20215	3.9
419.18985	1.9
436.20969	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
56.96552	1.0
57.03436	4.8
69.03428	2.0
69.78194	1.8
69.78577	1.5
70.06583	2.8
70.20920	0.8
72.08161	1.2
73.79955	0.8
75.04476	2.6
79.05496	1.5
80.44972	0.8
81.03439	1.0
84.08149	1.0
85.02911	5.2
86.09719	1.5
91.05479	1.7
97.02899	2.0
103.05457	1.3
104.44168	0.9
105.07038	22.8
107.04986	1.9
109.06546	0.9
117.07023	1.1
122.03635	1.7
127.03906	1.0
129.10287	1.1
133.06502	59.5
134.06828	1.3
137.05984	100.0
138.06302	2.0
147.04414	2.2
151.07561	0.9
163.07573	5.1
165.09122	35.0
173.66890	0.9
175.07533	2.7
177.09120	1.5
181.08675	2.1
183.10184	28.7
198.50085	0.9
203.10619	1.7
209.11821	1.0
216.21922	0.9
221.11711	3.2
222.63510	0.9
239.02310	1.1
239.12778	5.2
257.03445	1.1
257.13849	66.2
258.14197	3.2
297.95303	0.8
365.65948	1.0
413.07468	1.6
418.24225	0.9
437.14752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01861	4.7
55.05519	7.3
57.03440	5.3
61.02904	3.4
67.05524	6.0
68.86607	2.5
69.03426	18.2
69.07064	6.7
70.76536	3.6
71.04982	3.8
74.00368	2.5
79.05491	12.9
81.03426	19.8
81.07071	14.4
83.08627	3.8
85.02915	57.9
87.00829	30.1
87.04485	3.0
91.05485	16.2
93.07052	81.6
94.07425	3.6
95.04978	8.7
95.08617	26.1
97.02893	27.3
99.04452	10.3
105.01863	35.1
105.07034	8.7
107.08595	100.0
108.08917	4.2
109.02882	13.2
109.06522	3.8
109.10133	3.7
119.06094	3.6
119.08593	4.7
123.04497	3.2
127.03918	45.7
129.01923	2.9
135.11702	69.3
137.13312	3.9
145.04982	25.2
153.12732	7.6
159.02919	9.7
170.15338	3.2
172.26747	3.1
189.03900	3.1
218.93159	3.1
231.04997	15.4
249.06081	3.5
281.13828	3.2
383.16791	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
53.66731	0.7
55.01875	7.8
55.05507	3.7
57.03432	4.7
58.03780	0.8
59.05014	1.6
61.02921	4.2
65.03938	1.9
67.05517	6.3
68.99785	1.9
69.03426	21.0
69.07076	4.2
69.41481	1.5
69.41879	2.2
71.04990	5.9
73.02913	5.2
76.63118	0.8
77.03931	1.8
79.05492	13.9
81.02959	1.5
81.03416	19.9
81.07041	10.3
83.04984	2.3
85.02901	62.9
87.00825	23.0
87.04484	0.8
91.03970	1.6
91.05479	19.0
91.06054	0.9
93.07043	87.1
94.07330	1.4
95.04958	6.9
95.08600	12.8
97.02889	28.1
97.06533	7.1
99.04450	10.8
105.01865	28.8
105.04513	4.0
105.07033	8.3
106.02274	0.8
107.04986	0.9
107.08589	100.0
108.08932	2.6
109.02876	22.2
109.06512	4.6
109.10159	7.7
111.08088	1.0
115.03940	2.1
117.01865	2.7
119.06090	3.0
119.08607	3.5
121.10159	1.2
125.74599	0.8
127.03912	47.7
128.48416	0.8
129.01868	2.7
129.07030	1.1
133.10138	2.3
135.11687	64.3
136.12025	3.3
137.09676	0.9
137.13280	1.4
143.01241	0.8
143.08577	1.2
145.04948	24.2
145.06076	1.4
145.10127	1.2
147.02888	3.3
149.05916	0.8
151.11169	0.9
153.12724	8.3
154.28119	0.8
157.10228	1.0
159.02893	18.4
159.11777	0.8
165.12756	0.9
177.12746	1.1
213.03903	1.9
231.04996	12.6
238.18839	1.0
243.13840	1.6
244.14130	0.9
249.06020	2.6
255.18439	0.9
261.14862	2.7
281.13745	1.3
310.21838	0.9
312.93976	0.9
365.16156	1.2
373.00266	0.9
383.16837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01265	0.6
54.89868	0.5
55.01862	0.7
66.04720	0.6
66.79235	0.6
69.11163	4.0
79.05490	1.4
81.07037	1.2
83.74352	0.5
90.04708	0.8
91.05476	4.2
94.04181	1.8
95.04957	1.0
95.08614	0.8
103.05476	2.8
105.07027	3.6
107.04947	5.2
108.05721	1.6
108.81556	0.8
115.05447	0.7
117.07011	1.5
119.08615	0.7
121.06503	6.6
122.03632	6.5
123.08071	0.7
128.06189	0.8
129.06982	1.1
131.04941	4.4
133.06480	21.7
135.04376	0.9
135.08023	3.1
136.05190	6.8
137.05971	100.0
138.06302	1.9
143.08490	0.7
145.06451	2.1
146.07253	4.8
146.09395	0.5
147.08051	10.8
149.05992	1.3
150.06743	2.6
151.07535	92.2
152.07843	3.0
157.06485	1.7
159.08072	1.0
160.08806	0.6
161.06049	0.6
162.06732	2.1
163.07523	11.8
164.07959	0.6
165.09109	9.0
171.08069	1.9
173.05998	0.7
174.06783	0.9
175.07565	1.6
176.08319	1.1
177.09100	26.8
178.09425	1.2
179.10629	0.9
186.10332	0.7
187.07573	1.2
188.08345	2.0
189.09084	5.2
191.10678	2.2
201.09085	1.4
202.09909	1.4
203.10640	5.8
215.56042	0.5
217.12221	3.7
221.11668	0.7
226.67065	0.6
277.12305	1.4
278.12949	1.3
279.55695	0.6
309.14838	15.9
310.15140	1.4
326.15125	7.9
341.17459	30.4
342.17746	1.9
359.18478	1.6
436.23102	19.2
436.29160	0.9
437.23041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03072	0.7
67.05486	1.0
70.44359	0.6
70.53177	1.0
70.53522	1.4
79.05483	1.7
81.07043	2.2
91.05486	4.4
93.07024	0.7
94.04182	1.9
95.04983	1.1
98.23328	0.8
103.05463	2.3
105.07019	3.7
107.00935	0.7
107.04961	4.7
108.05743	2.2
109.06522	1.8
117.07032	1.8
120.92792	0.8
121.06473	5.2
122.03641	5.4
128.06197	0.9
131.04919	5.4
132.05699	1.1
133.06488	17.1
135.04466	1.4
135.08005	1.3
136.05177	5.9
137.05980	82.3
138.06351	1.2
143.04985	1.0
143.08562	1.1
145.06479	2.3
146.07314	4.3
147.08038	8.9
148.05183	0.9
149.05957	0.9
150.06757	2.0
151.07539	100.0
152.07875	3.3
157.06499	1.3
160.08853	1.3
161.05923	0.9
162.06767	0.9
163.07532	12.7
165.09134	6.3
171.08018	1.0
174.06744	1.2
175.07587	2.2
176.08290	1.5
177.07539	1.4
177.09100	23.2
179.24586	0.7
181.08601	14.3
186.10391	0.8
187.07521	0.8
188.08266	2.2
189.09065	4.8
191.10756	1.1
202.09866	0.8
203.10667	6.7
211.07800	0.8
217.12241	3.9
223.13058	0.7
224.20116	5.6
235.13309	1.0
277.12204	0.9
309.14853	10.6
310.15329	0.8
326.15088	5.9
341.17468	29.1
342.17758	2.1
359.18304	1.0
393.21188	0.7
436.22400	1.2
436.34274	1.3
437.08075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.9
57.07071	7.1
58.06585	1.8
66.85146	0.6
67.05521	0.9
70.06590	15.6
71.08633	2.1
71.78340	0.8
85.10181	1.0
88.07626	19.9
95.04970	0.9
97.06525	1.4
102.09175	15.6
103.01838	2.2
105.07050	0.9
116.07070	0.8
133.51617	0.7
135.04388	3.8
135.11720	0.9
142.93839	1.6
151.07547	0.9
153.05490	1.6
163.03886	70.1
163.04941	5.7
164.04250	2.1
166.83397	0.8
191.07176	0.9
203.05113	0.8
207.06511	78.0
208.06996	2.3
256.26337	44.3
257.26813	1.8
289.49866	0.8
315.19003	0.8
316.19653	2.7
324.02148	0.8
337.85544	0.8
338.17801	1.0
351.08600	2.1
354.15088	2.0
355.15067	0.8
436.17801	2.9
436.30576	100.0
437.19305	9.9
437.30792	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98510	10.3
69.64167	21.6
69.64548	25.6
91.05453	15.1
115.85548	12.1
120.03807	10.3
147.31030	9.6
151.07539	20.3
190.29533	12.1
194.47014	11.3
202.66475	10.7
299.75662	10.9
437.08221	100.0
438.26428	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97228	0.5
67.05508	0.5
69.43724	1.4
79.05513	0.5
88.79815	0.4
91.05485	2.3
93.07063	0.7
103.05442	0.8
105.07009	1.0
106.04144	0.7
107.04958	3.3
107.08582	0.8
108.05724	1.8
108.90424	0.5
109.06503	0.5
115.05417	0.8
117.06940	1.0
119.04928	0.7
120.05730	0.5
121.06519	1.3
131.04913	0.7
131.08542	0.6
133.06487	0.8
135.04396	1.0
135.08069	0.6
136.05232	3.5
137.05989	1.3
138.06746	0.8
143.08565	0.8
145.06483	1.3
146.07262	0.6
147.08052	1.1
148.05188	4.1
150.06700	0.6
151.07536	66.3
159.08043	0.6
161.05969	2.1
161.51634	0.6
163.07497	3.2
165.05499	0.6
165.09129	3.3
166.06242	5.5
167.07043	1.6
173.06128	0.8
174.06859	0.5
175.07576	0.8
176.08366	1.7
177.09125	5.9
179.10687	0.7
180.07829	0.6
181.08591	38.5
185.04266	2.2
186.10493	0.7
187.07553	0.9
187.14838	1.3
188.08305	1.4
189.09132	1.6
190.09998	0.5
191.10681	2.9
193.08641	1.8
195.10182	1.4
201.03702	10.0
201.05426	0.9
201.09090	1.2
202.09943	1.6
202.79880	0.4
203.05261	22.3
203.07179	1.1
203.10641	3.5
205.12196	0.7
207.10150	1.2
216.11427	1.6
217.12230	3.0
221.11761	1.5
233.11737	1.0
235.13429	0.5
247.13255	1.3
251.12798	0.6
257.15170	3.0
259.16776	1.2
275.16165	42.7
276.16589	2.0
353.17554	1.0
354.18280	2.0
370.17816	6.9
385.20071	17.7
403.21085	7.0
437.21478	100.0
438.21774	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.2
57.03433	6.0
57.07064	7.5
67.05502	9.4
69.07064	16.3
71.08624	4.9
79.05484	6.1
81.07054	13.1
83.08618	10.7
85.58862	1.5
89.06031	8.6
91.05460	2.6
93.07044	7.4
95.08598	10.6
97.06548	2.2
97.10170	4.8
98.23004	2.3
105.07018	3.3
107.08568	4.9
109.10149	4.4
113.00008	86.5
119.08572	1.7
121.10112	6.4
133.08589	6.3
135.11682	5.1
138.92467	1.6
149.13254	1.6
169.02602	100.0
187.03592	2.7
239.14969	7.3
251.23613	3.8
288.75290	1.8
325.27362	43.0
326.27670	4.5
346.76801	1.9
419.25461	3.2
425.14322	1.7
432.53677	1.9
437.19263	24.2
437.30347	2.5
438.19562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.6
57.03428	1.8
64.84766	1.3
67.05499	8.4
68.94650	1.6
69.03414	1.4
69.07073	13.2
69.86561	2.2
69.86927	2.7
79.05495	9.2
81.07062	19.6
83.08616	3.2
85.02859	1.4
90.32751	1.5
91.05473	9.5
91.05991	1.5
93.07042	18.5
95.04975	2.1
95.08611	22.7
97.06575	2.0
97.10170	3.3
105.07031	33.7
106.07390	1.5
107.08591	32.4
109.06544	2.5
109.10162	17.7
111.08099	3.6
115.05460	1.4
115.35318	1.3
117.07025	12.9
118.73202	1.5
119.08575	21.8
121.10132	17.8
123.08146	1.6
123.11713	4.9
125.05986	1.4
128.06244	2.8
129.07022	6.6
131.08569	19.2
133.10141	15.4
135.11682	6.5
137.13237	1.3
141.06982	3.3
142.07751	2.9
142.65269	1.4
143.08562	23.1
144.09302	1.9
145.10126	23.7
147.11700	9.4
149.13261	9.7
155.08551	19.9
156.09312	4.4
157.10139	18.3
158.10783	1.8
159.11708	14.1
161.13264	10.3
162.45459	1.3
163.14806	4.9
165.07257	1.2
165.12646	1.4
169.10139	8.4
170.10902	1.7
171.11700	19.4
173.13255	30.3
175.14818	9.6
177.12756	3.1
177.16394	3.8
181.10159	2.4
183.11726	7.3
185.13263	10.3
187.14819	56.4
188.15207	2.3
189.16403	5.2
191.14395	2.4
195.11678	2.5
195.13548	1.3
197.13289	8.2
199.14812	7.2
201.16377	19.6
202.16742	2.0
203.14330	1.8
203.18015	1.8
205.15953	6.3
209.13358	2.8
211.14793	6.6
213.16391	20.9
215.17905	8.0
217.15842	2.6
217.19487	1.9
219.17432	1.8
223.14737	2.8
225.16353	6.8
226.17065	1.4
227.17932	13.3
229.19444	2.3
231.17465	3.0
233.19099	1.6
237.16380	3.1
239.18016	5.6
241.19559	11.2
243.17517	1.7
245.18938	3.3
250.38177	1.4
251.18155	3.2
253.19493	6.9
255.21176	3.0
259.16809	1.7
259.20627	5.1
261.18408	1.6
265.19574	3.0
267.21118	17.3
269.22705	2.7
277.17770	5.1
279.21130	2.3
281.22693	4.4
291.21063	1.6
308.22354	1.4
361.28879	5.2
401.32187	4.8
410.62885	1.7
419.20886	1.4
419.33173	17.2
420.33780	2.1
437.21509	100.0
437.26920	3.7
437.34158	83.7
438.21658	7.7
438.28644	2.5
438.34631	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3419
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.46762	0.8
55.05510	9.0
57.07069	2.6
65.03956	1.5
67.05508	11.7
69.07066	10.8
69.36962	3.7
71.75607	0.9
77.03930	1.9
79.05492	13.7
81.07062	21.4
81.07505	1.8
83.04971	1.0
83.08627	3.6
91.05476	13.2
93.07041	21.5
95.04969	2.9
95.08616	25.6
96.21375	0.9
97.06549	1.8
97.10178	4.9
98.22595	1.0
98.23174	3.5
98.98550	0.8
103.05490	2.8
105.04504	1.2
105.07033	39.6
107.04915	1.2
107.08598	36.2
109.06509	2.7
109.10159	19.7
111.08091	2.5
111.11713	0.9
115.05459	1.8
117.06267	1.8
117.07024	16.2
119.08588	25.7
120.08936	1.0
121.10149	26.8
123.08088	1.8
123.11700	6.0
125.09647	1.0
128.06223	3.5
129.07001	8.1
131.08571	22.7
133.10133	16.6
135.08110	1.0
135.11678	7.7
135.59753	1.0
137.09677	1.5
137.13266	2.4
141.07025	4.5
142.07788	3.3
143.08568	25.6
144.09351	1.6
145.06447	0.9
145.10123	29.6
147.11696	17.7
149.09657	1.1
149.13261	13.9
150.13629	0.9
151.11200	2.7
154.07788	1.4
155.06694	1.0
155.08565	23.5
156.09334	4.3
157.10117	23.3
158.11012	1.1
159.11685	16.9
161.09560	1.0
161.13271	10.9
163.11292	1.8
163.14821	6.6
165.12772	1.2
167.08626	1.4
168.09264	1.2
169.10143	14.6
170.10730	1.8
171.11699	24.1
173.13274	36.7
173.14769	2.0
173.39275	0.9
174.13661	1.7
175.11263	1.6
175.14838	13.0
177.12794	4.0
177.16338	4.5
179.14276	1.4
181.10130	2.0
182.11008	2.3
183.11703	10.5
184.12241	1.1
185.13248	14.0
187.14821	76.8
188.15234	2.5
189.12790	1.2
189.16460	5.5
191.14352	2.2
193.15968	1.2
195.11745	2.9
195.13840	3.1
196.12486	2.0
197.13222	9.4
197.14549	0.9
198.13971	0.9
199.14832	9.7
201.16393	25.0
203.14445	2.3
203.17993	3.0
205.15918	10.2
207.11769	1.2
207.22758	1.1
209.13286	2.6
211.14824	9.7
213.16388	25.3
215.17993	10.0
217.15904	2.6
217.19554	1.4
219.17529	2.0
221.13348	1.1
223.14876	2.5
223.16959	1.6
225.16441	9.2
226.17111	1.8
227.17952	19.0
228.18326	1.2
229.19539	1.5
231.17545	3.2
231.21176	1.1
233.18974	1.9
237.16425	4.4
239.17860	6.6
241.19502	17.2
243.17542	1.4
243.21053	2.3
245.19087	5.5
251.18005	4.5
252.18843	1.1
253.19550	9.2
255.21120	3.1
259.20636	7.2
261.16138	1.1
261.18625	2.6
263.17773	1.8
263.20245	3.3
265.19592	4.6
267.21082	19.8
268.21426	1.1
269.22784	2.5
272.20029	1.1
279.21045	1.5
281.22714	6.2
283.20523	1.3
290.21359	1.2
291.21024	1.7
301.21518	1.5
361.28717	6.0
389.32263	1.2
401.32184	6.8
407.33081	1.3
419.33078	23.9
420.25504	4.7
420.33411	1.7
437.34186	100.0
438.26398	10.8
438.34488	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05508	8.9
60.62103	1.2
67.05501	9.6
69.07055	10.6
69.11112	1.1
71.47772	1.3
72.87033	1.3
78.73254	1.2
79.05093	1.4
79.05498	11.6
81.07056	23.5
83.08598	3.6
84.62833	1.2
88.57432	1.2
91.05478	12.3
93.07037	20.6
95.04949	2.1
95.08599	25.3
97.06510	1.3
97.10152	2.9
100.90433	1.2
105.07024	30.0
107.08588	30.2
109.06511	2.7
109.10132	17.0
111.08035	3.5
115.05465	1.6
115.23077	1.3
117.07009	13.4
119.08569	22.8
121.10137	20.6
123.08031	3.4
123.11704	7.6
128.06215	2.8
129.07018	6.3
130.07794	1.5
131.08562	18.2
133.10117	15.9
134.38817	1.1
135.07928	1.2
135.11713	6.9
137.09619	2.7
137.13222	1.6
141.06982	3.6
142.07809	3.8
143.08578	14.8
144.09267	1.7
145.10121	23.4
145.11217	2.4
147.11687	22.9
149.13263	13.8
155.08569	16.1
156.09308	3.3
157.10130	18.9
159.11676	15.5
161.13255	11.7
163.14813	4.9
165.12785	1.5
169.10121	9.9
171.11679	15.0
173.13252	28.2
175.14801	9.3
177.12741	3.0
177.16362	4.2
179.14290	1.9
181.08574	1.8
181.10066	2.6
182.10934	1.5
183.11667	7.4
185.13231	10.3
187.14810	50.3
188.15157	1.7
189.16380	5.1
191.14279	1.5
193.15923	2.1
195.11707	2.3
196.12477	1.8
196.62546	1.2
197.13235	9.3
199.14774	6.6
201.16386	14.9
203.17964	2.4
205.15852	18.7
209.13289	1.9
211.14806	7.4
213.16376	20.6
215.17943	7.7
217.15961	2.9
219.17432	2.1
223.14857	2.6
225.16318	7.4
227.17909	14.6
229.19484	2.5
231.17419	3.0
237.16414	3.7
239.17924	5.7
241.19508	13.6
243.17532	1.5
245.19064	2.5
251.17966	3.0
253.19423	8.0
255.21051	3.1
257.18951	2.0
259.20624	5.1
263.20117	1.6
265.19473	4.6
267.21057	14.5
279.21124	1.8
281.22668	4.8
283.20508	2.3
285.22238	1.5
361.28915	5.4
401.31982	5.0
419.28363	1.7
419.33121	17.0
420.33557	1.8
423.18494	1.3
437.34085	100.0
438.34549	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39614	0.8
53.03952	1.0
55.05510	10.9
56.42838	0.8
57.03435	1.3
57.07074	2.3
65.03938	1.7
65.56112	0.7
67.05508	15.4
69.03423	1.0
69.07066	12.6
69.18868	2.5
69.19276	2.4
70.06574	1.4
71.05027	0.9
73.68609	0.8
76.62859	0.8
79.05499	11.9
81.07059	24.2
83.04984	1.6
83.08628	5.3
84.08145	1.4
86.09716	1.4
91.05484	16.4
93.07050	25.7
95.04971	3.5
95.08608	30.2
97.06535	2.9
97.10155	7.4
103.05491	1.5
105.07033	40.4
106.07355	1.2
107.04979	1.0
107.08598	42.2
108.09102	0.7
109.06503	2.5
109.10155	20.0
111.08106	2.4
111.11727	1.0
115.05462	1.9
117.07023	21.3
119.06134	1.1
119.08584	29.4
121.06493	1.1
121.10151	25.3
122.10561	0.9
123.08083	2.3
123.11707	4.9
125.09615	0.9
127.07590	0.8
128.06252	3.0
129.07014	10.0
130.07832	0.9
131.08566	28.6
133.10139	18.4
135.08168	1.8
135.11673	7.1
135.12485	0.7
137.09654	2.3
137.13284	2.2
139.11253	0.9
141.06998	6.1
142.07773	4.3
143.08566	29.7
144.09271	1.4
144.73553	0.8
145.10127	31.4
147.11696	13.8
149.09641	1.9
149.13280	13.5
151.07538	7.5
151.11176	1.4
154.07817	1.4
155.08559	24.2
155.09792	1.7
156.09346	4.4
157.10147	24.6
158.10847	1.4
159.11691	18.5
161.13258	12.0
163.07625	1.0
163.11215	1.5
163.14798	5.8
165.06961	1.2
165.12697	1.5
167.07169	0.9
167.08545	1.9
168.09320	1.0
169.10124	16.9
170.10864	2.0
171.11684	20.6
171.13036	1.5
172.12402	1.4
173.13263	37.4
174.13800	1.2
175.11227	1.3
175.14830	15.6
177.09010	0.9
177.12794	3.1
177.16365	5.7
179.14297	1.3
181.08641	4.4
181.10127	1.9
182.10919	1.4
183.11728	12.2
184.12386	1.9
185.04181	1.8
185.13266	15.5
187.14824	81.6
188.15163	3.7
189.12733	1.4
189.16409	4.6
191.14362	2.5
192.96439	0.8
193.15813	0.8
195.11742	3.3
195.13771	1.3
196.12495	2.2
197.13274	12.5
199.14818	11.1
200.15250	1.3
201.03746	1.3
201.16389	28.4
202.16759	2.2
203.05322	2.5
203.14296	1.4
203.18022	3.6
205.15935	5.4
207.11885	1.0
207.13766	1.0
209.13274	3.8
209.15137	1.0
211.14806	10.2
213.16380	28.0
214.16797	1.6
215.14543	1.1
215.17967	11.4
217.15875	2.9
217.19456	1.2
219.17471	2.2
221.15302	1.1
223.14867	3.4
223.16986	2.9
225.16362	12.5
226.17035	1.1
227.17943	17.7
229.15915	1.4
229.19579	2.7
231.17572	2.7
233.19139	1.6
237.16484	4.9
238.17195	1.1
239.17902	8.4
241.19527	18.4
243.17532	1.0
243.21098	2.6
245.18936	4.8
249.16451	1.3
251.17877	4.6
252.18759	1.1
253.19426	7.0
255.21030	3.1
259.20596	8.8
261.18610	1.6
263.20157	2.7
265.19559	3.8
267.21094	21.0
269.22662	3.5
272.91138	1.0
275.16171	26.5
276.16394	1.6
277.19495	1.2
279.21164	1.5
281.22665	6.3
291.21237	2.0
293.22632	2.1
305.22540	1.5
307.24323	2.1
316.42981	0.8
361.28928	6.5
375.82858	0.9
385.20038	2.4
401.32141	8.3
409.30542	1.1
419.33157	22.7
420.33649	2.3
421.80206	0.9
437.21558	47.2
437.34207	100.0
438.21848	4.2
438.34418	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2392
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
55.05517	0.4
58.06595	0.6
65.03941	0.6
67.05490	0.8
69.03414	1.0
69.07059	0.9
69.63867	1.2
71.04974	0.6
72.08160	6.4
75.09245	0.4
79.05482	0.4
81.03421	2.7
81.06247	0.3
81.07050	1.1
83.04984	0.5
83.08608	0.8
84.08118	0.9
85.02908	1.4
85.06542	1.1
86.09716	0.5
87.00841	0.8
91.05485	4.7
93.07010	0.6
95.04938	0.7
95.08607	0.5
97.02885	1.3
99.04444	0.4
105.01848	0.5
105.07044	0.4
109.02888	1.2
109.10163	1.2
112.11238	2.8
113.05980	0.5
113.76944	0.3
119.04949	16.0
119.08570	0.4
120.08121	0.8
121.99734	0.4
127.03933	1.8
129.09135	0.7
129.13863	1.3
136.06190	13.0
136.07579	12.6
136.27458	0.3
137.07829	0.3
138.99509	0.4
146.16539	0.9
147.04414	100.0
148.04756	1.6
151.91571	0.4
155.10654	1.2
155.11798	0.6
155.14316	0.6
157.10245	0.4
164.07176	0.6
173.11725	1.8
176.07085	1.0
177.82698	0.4
191.16418	1.0
193.12256	1.1
203.11795	1.0
204.10207	48.4
205.10513	1.2
213.03986	0.4
213.49139	0.4
218.11746	4.8
221.12868	0.7
231.04991	0.5
258.07712	0.5
263.10345	0.8
274.18954	0.5
275.17511	2.9
276.08591	0.7
277.10483	0.8
281.11279	0.7
284.63547	0.4
292.20212	8.3
312.49060	0.3
420.22745	1.9
421.21143	0.8
423.06418	0.4
438.23904	63.1
439.15125	1.7
439.24338	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2641
Annotation	13-Desoxyterpendole I
Peak:m/z	Relative Intensity
52.57861	0.4
53.54537	0.4
55.05550	0.3
67.05522	0.4
69.33060	1.9
70.06628	0.5
77.03957	0.5
79.05492	15.5
90.34574	0.4
91.05535	1.3
93.07090	1.2
95.05011	1.3
103.05466	31.0
103.42343	0.3
104.05814	0.5
105.04561	0.8
105.07030	2.4
106.06583	2.2
107.04954	16.1
112.57822	0.4
115.96455	0.4
116.09088	0.4
117.05835	0.5
118.06512	2.7
121.06560	1.2
130.06587	0.6
131.04929	9.8
131.07245	1.8
132.08154	1.2
134.09723	1.1
136.05226	0.4
146.09647	2.4
149.02335	1.8
149.06021	0.6
151.07541	6.3
160.11235	3.7
160.12436	0.5
172.11206	0.7
174.12740	0.8
177.09175	0.6
181.08601	3.9
193.04990	2.0
202.15918	0.4
234.98846	0.4
244.20627	4.3
272.20084	25.5
273.20480	1.2
276.10611	0.4
290.21109	4.7
294.14911	1.2
370.17999	0.7
385.20123	1.5
392.25909	1.6
403.21323	0.5
420.25323	51.7
421.25717	4.0
438.26392	100.0
439.09784	0.5
439.26868	8.2
453.82965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	33.1
67.05495	37.6
69.07080	66.8
70.97098	14.9
79.05494	36.2
81.07048	62.4
83.08619	12.2
89.06041	100.0
91.05486	27.6
93.07050	27.8
95.04946	12.6
95.08610	19.5
105.07027	25.3
106.28598	11.1
107.08550	20.6
109.06516	13.5
109.10217	15.0
119.08588	27.8
123.08012	10.3
123.11761	15.2
133.08580	55.7
133.10181	12.4
135.96759	12.0
144.09222	13.0
147.11681	15.2
181.12328	16.7
239.14948	82.0
275.20074	61.9
278.91165	11.6
293.20889	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.7
57.07074	82.6
58.06591	1.3
69.07072	8.1
70.96765	1.9
71.08625	68.3
73.06544	1.9
81.07045	1.7
83.08604	3.8
85.10176	42.4
87.04475	2.7
89.06023	100.0
97.10152	2.9
99.11726	6.2
113.00004	1.6
113.13268	7.9
119.16495	1.2
125.13279	1.7
127.14832	3.5
130.03893	1.7
130.08659	2.2
131.79102	1.2
133.08589	61.8
151.07553	2.1
151.09647	4.6
153.27254	1.3
159.28790	1.3
177.11194	16.8
195.12250	4.1
221.13850	3.8
239.14882	64.4
240.15396	2.3
254.91364	1.4
271.26300	4.0
315.28870	2.6
381.19073	1.3
421.35187	56.1
422.35394	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52442	0.3
69.61012	0.4
69.61398	0.6
82.03960	0.3
83.01056	0.3
84.01875	0.7
95.01083	1.7
96.01871	0.8
101.51247	0.2
105.03809	0.2
112.01319	1.2
113.02117	2.5
126.02879	0.6
141.05209	0.3
153.99818	0.3
157.04720	0.5
167.03137	0.3
184.26146	0.3
185.04205	4.1
187.03712	0.3
201.03798	0.7
202.04413	0.4
202.06023	3.6
203.05243	0.4
243.08360	0.5
259.07919	0.8
277.10535	0.5
408.05374	0.3
439.15726	100.0
440.10556	0.4
440.16089	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1575
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
61.83852	0.3
69.18409	0.3
70.06586	0.6
70.17412	0.8
72.08141	0.4
83.01094	0.6
84.01878	0.7
86.09673	0.4
92.01582	0.3
95.01060	1.6
96.01270	0.3
96.01868	0.9
96.70882	0.4
98.22794	0.5
110.07163	0.5
112.01348	1.3
113.02126	2.7
126.02893	0.3
131.04909	0.6
151.03947	0.4
157.04732	0.8
167.03113	0.5
177.05446	0.4
185.04202	3.8
201.03773	1.0
202.04433	0.7
202.06067	3.1
243.08432	0.4
259.07944	1.2
267.82779	0.3
277.10645	0.7
330.63528	0.4
340.39182	0.3
394.33765	0.3
439.15747	100.0
440.16104	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.3
51.73046	0.3
53.03920	0.9
55.01875	0.7
55.05505	1.8
57.03419	0.4
57.07064	0.7
61.02906	0.5
65.03920	0.5
67.05503	2.6
68.99790	0.4
69.03065	0.4
69.03429	6.6
69.07071	2.4
71.04982	0.3
77.03922	0.6
79.05491	5.9
81.03441	1.5
81.07052	6.0
83.04982	2.4
83.08588	0.7
85.02912	2.9
85.06544	0.3
87.00843	1.5
91.05478	6.4
93.07040	4.1
95.04970	3.8
95.08613	2.0
97.02869	1.3
97.06522	0.6
99.04462	0.4
103.05465	0.4
105.01888	1.4
105.07032	8.3
107.04958	3.0
107.08594	17.6
109.02882	1.8
109.06530	2.1
109.09414	0.4
109.10152	7.2
110.99496	0.3
111.08118	0.4
115.05457	1.1
117.06992	2.1
118.07788	0.5
119.06041	0.7
119.08576	3.3
121.06519	2.2
121.10140	10.9
122.07290	5.0
122.10491	0.3
123.08046	0.9
125.06027	0.3
127.03923	3.6
127.93088	0.2
129.05484	0.4
131.07744	0.4
131.08572	2.9
133.10124	100.0
134.10445	3.3
135.04457	0.3
135.08058	5.8
135.11691	1.5
137.09612	51.9
138.09956	1.5
143.08527	0.9
144.09361	0.4
145.04965	0.7
145.06470	0.3
145.10121	1.6
147.08083	0.6
147.11676	2.4
149.09618	4.4
149.13251	8.8
150.13644	0.4
151.07523	0.6
157.10069	0.4
158.10898	1.4
159.11610	0.5
161.09598	0.6
161.13266	0.7
163.11183	0.4
163.14864	1.9
170.81660	0.3
171.11737	0.3
173.09706	0.4
173.13258	5.5
187.11194	0.3
189.09203	0.3
189.12724	0.6
191.10736	1.5
191.14301	41.2
192.14711	1.7
201.03546	0.3
201.12790	0.3
203.05252	2.4
203.14368	0.4
207.13820	0.5
213.03981	0.8
215.14336	0.3
231.05020	1.2
231.13808	0.6
233.15321	0.4
245.15353	0.3
259.16644	0.5
261.18298	0.9
266.21118	0.3
273.14917	0.6
274.34195	0.3
275.16510	0.3
279.61850	0.3
335.18530	0.5
421.18387	0.7
439.23096	21.5
440.23416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
56.14576	2.5
56.96556	2.8
64.49586	2.3
65.05227	1.9
65.23211	1.9
67.05498	5.5
69.07046	2.8
69.38492	2.0
69.61336	4.5
69.61726	5.0
70.49115	2.1
79.05515	3.8
81.07040	7.3
84.08110	2.2
91.05472	3.8
93.07037	4.6
95.04970	2.3
95.08633	2.2
98.22751	4.6
98.97582	5.8
107.08617	3.0
109.10155	4.4
117.07018	2.9
119.08566	5.2
121.10139	2.2
131.08539	2.7
133.10144	4.3
136.03520	2.1
151.07507	4.3
152.07848	2.5
203.05244	26.6
216.55179	2.1
259.12283	7.6
259.16641	3.6
322.65405	1.9
323.25262	2.2
339.90076	2.5
368.20285	2.9
377.22845	2.7
438.34027	3.2
439.22876	100.0
440.22836	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2093
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
53.03946	2.1
54.31203	1.3
54.43113	1.3
55.05490	2.7
67.05490	3.0
69.03411	3.7
79.05468	1.7
81.03379	1.5
81.07021	4.8
84.04484	2.1
85.02869	4.0
91.05452	6.0
95.08575	2.8
97.02896	2.3
98.97545	4.6
105.07043	1.6
109.10172	1.6
115.05437	5.4
121.10119	1.5
127.03953	1.5
145.10115	1.9
151.81628	1.5
180.55000	1.7
181.07538	5.8
221.76173	1.5
235.09593	1.9
259.12311	100.0
260.12442	6.1
277.13135	8.1
308.08771	2.0
316.17459	1.5
372.96347	1.8
395.19897	1.7
439.21237	63.8
440.21002	3.6
451.83807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2098
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
55.05501	4.0
67.05518	8.5
69.03430	3.5
69.07073	4.1
69.57905	13.1
79.05495	9.2
81.07056	10.8
82.36299	3.2
84.08147	5.7
85.02892	4.7
91.05489	6.7
93.07063	8.1
95.08594	6.4
97.06538	4.3
98.97613	5.7
100.11222	3.0
102.48397	3.0
105.07072	3.2
107.08588	5.4
107.23284	2.6
115.05492	5.0
119.08591	4.5
120.08050	3.0
123.24207	2.6
129.07005	3.1
133.10081	6.1
143.08568	3.0
145.10088	5.0
152.55438	2.8
156.97639	2.6
158.92403	2.5
163.11240	2.8
176.10393	2.8
181.07675	3.2
203.28654	2.9
221.49995	3.0
259.12338	62.2
260.12570	4.0
261.93225	2.8
331.65372	3.2
360.21600	5.6
386.75354	2.8
421.22678	3.7
439.21695	100.0
440.21106	5.0
460.04593	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2099
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
55.05503	11.6
58.35083	3.1
67.05529	15.7
69.07059	5.8
69.75494	6.5
69.75847	7.2
79.05483	12.8
81.03448	5.5
81.07049	8.5
81.97080	3.1
83.04957	3.3
83.08604	5.5
91.05499	7.6
93.07059	10.4
95.04961	5.0
95.08621	8.1
97.06550	4.2
97.10228	3.6
105.07024	9.9
107.08604	7.1
109.06537	3.9
119.08566	4.7
125.09585	6.2
133.10138	4.5
145.10086	3.9
149.02350	9.2
150.02692	3.9
151.07574	9.0
152.07903	6.0
176.14290	3.9
181.08607	5.9
182.09015	6.2
186.05608	3.8
193.04985	14.4
194.05408	5.1
211.13438	3.1
219.02663	11.0
232.06090	14.0
233.15370	4.0
264.08704	5.7
289.62753	3.2
305.21426	3.3
349.21771	3.3
355.15598	3.8
359.22433	7.5
367.22586	7.6
385.23959	6.7
386.20474	5.6
403.24527	5.5
421.25662	3.8
438.28595	5.6
439.13824	10.7
439.21039	100.0
439.28607	28.8
440.21594	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22482	1.0
56.96558	1.0
57.03434	7.8
61.02927	1.2
65.03938	3.0
67.05502	100.0
68.05831	1.1
69.03423	12.0
69.07072	1.7
70.06601	1.6
70.95110	1.1
71.46426	1.2
72.08136	1.1
73.02914	12.3
73.82957	1.1
79.05498	1.0
81.03425	1.9
81.07053	5.9
81.99960	1.1
84.89833	1.0
85.02905	23.1
86.09750	1.3
91.05499	1.6
91.53650	1.0
97.02895	21.1
109.02881	2.4
109.07653	4.0
109.10152	79.5
110.07160	2.5
110.10482	2.4
115.03921	11.2
115.66986	1.1
125.06039	1.0
127.03895	6.3
127.11182	15.6
133.04965	2.6
145.04944	5.7
163.06082	3.9
178.92613	1.1
186.23621	1.1
197.46648	1.0
199.13246	2.1
241.07141	2.4
259.08170	2.0
276.90082	1.5
439.15280	4.3
439.25403	1.4
440.24121	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.59634	1.4
50.62213	1.4
50.93372	1.4
55.05518	1.7
57.03440	8.5
61.02935	3.1
65.03943	3.3
67.05505	72.8
67.05868	3.5
69.03436	14.9
69.07071	2.9
69.45116	7.1
71.01372	1.7
71.04990	2.1
73.02921	11.6
79.05476	1.5
81.03426	2.3
81.07072	7.1
83.08622	7.2
85.02906	22.8
85.06535	18.6
97.02896	17.4
103.13679	1.3
109.02927	2.2
109.10153	100.0
110.10501	2.5
115.03912	9.6
127.03945	6.1
127.11192	49.3
130.96187	1.8
131.08661	1.5
133.04945	3.6
145.04959	4.2
148.65575	1.4
160.65742	1.5
163.06030	4.2
202.66197	1.4
241.07245	1.7
295.10226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
54.24073	0.2
59.54348	0.2
69.03423	0.3
69.53528	0.3
69.53860	1.1
73.13974	0.3
78.30000	0.2
85.02918	0.3
90.66805	0.3
97.02901	0.6
107.76109	0.2
109.02898	0.6
127.03889	1.3
144.15967	0.3
147.15587	0.2
163.24756	0.3
185.90094	0.3
201.03685	4.9
203.05255	5.5
236.70050	0.3
259.09732	0.3
259.16675	4.0
259.19269	0.4
261.18246	8.9
277.17715	0.4
317.05334	0.3
321.59555	0.2
353.15735	0.4
366.63071	0.3
370.52206	0.2
373.41437	0.3
439.23013	100.0
440.23306	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
59.71408	0.3
63.61477	0.3
64.09979	0.3
67.05508	0.5
68.65200	0.2
69.03442	0.3
70.68631	0.3
74.05275	0.3
81.07044	0.7
82.29762	0.3
83.04980	0.4
85.06528	0.9
93.07031	0.3
94.27125	0.2
95.08605	0.4
99.08102	0.7
105.07036	0.3
106.06609	0.2
107.08609	0.3
114.77087	0.3
120.08178	0.3
121.10115	0.2
137.08316	0.3
203.05241	0.6
232.16100	0.2
259.20444	0.3
277.17758	0.9
293.40775	0.2
339.03531	0.3
380.20755	0.4
411.49854	0.3
422.12305	0.7
439.23035	100.0
440.23056	7.1
440.29752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
57.03436	0.7
69.03425	0.6
69.07062	0.9
70.58956	0.4
71.65836	0.2
73.02917	0.7
73.49740	0.2
85.02896	1.1
97.02897	0.8
111.11721	0.6
113.94218	0.3
115.03901	0.5
127.03909	0.3
132.45030	0.2
137.80568	0.3
140.01088	0.3
145.05005	0.4
163.05957	0.3
201.03632	0.3
259.08557	0.8
285.06644	0.4
301.06110	0.4
316.61594	0.3
319.97711	0.3
331.07080	0.5
351.17923	1.9
353.15704	1.9
361.08249	0.4
421.21747	0.4
439.23004	100.0
440.23300	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
56.50440	0.4
58.77805	0.5
68.07902	0.4
69.03419	0.5
69.07059	2.2
70.73764	0.9
70.74171	0.4
77.34504	0.6
81.03395	0.6
81.07021	0.6
84.08144	0.9
93.07053	0.6
97.02888	0.9
102.56708	0.5
111.11699	0.9
127.03908	1.0
147.04390	0.6
163.03838	0.5
201.03673	4.1
203.05269	6.8
216.20680	0.5
243.16046	0.5
259.09552	0.6
259.16623	3.1
261.18250	8.2
262.18372	0.7
395.28671	0.7
439.23050	100.0
440.23102	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3053
Annotation	Anisodorin 3
Peak:m/z	Relative Intensity
50.38695	1.3
52.90792	1.2
55.01867	3.1
55.05509	11.8
57.03418	3.8
57.07069	13.7
57.20660	1.1
67.05218	1.5
67.05505	17.9
69.03424	2.1
69.07059	19.2
69.65593	3.4
71.04976	3.1
71.08618	4.4
79.05484	11.3
81.07053	30.2
83.04974	4.3
83.08603	5.5
85.06523	9.8
91.05472	6.3
93.07041	18.2
95.04981	3.5
95.08020	1.9
95.08598	23.4
97.06534	8.2
97.10146	2.5
98.97569	1.4
99.08090	1.9
105.07027	8.3
107.08587	21.7
109.06502	12.2
109.10143	8.8
111.04427	13.9
111.08068	3.2
113.57690	1.2
119.08546	7.6
121.06506	2.6
121.10150	10.1
123.08054	10.2
123.11729	2.9
125.06001	7.7
125.24871	1.1
131.08618	1.9
133.10072	6.6
135.08038	10.3
135.11662	11.7
137.05949	17.7
137.09599	2.1
138.06784	1.6
143.08479	1.8
145.10110	4.9
147.11653	5.0
149.09604	3.3
149.13200	2.0
151.07544	5.6
151.11223	1.6
153.12756	2.6
157.10106	1.9
159.11678	1.5
161.09608	2.5
161.13261	1.8
162.46240	1.2
163.11180	2.8
165.09084	2.7
165.12726	4.7
167.14258	2.3
173.13261	1.8
175.11159	2.3
177.12773	2.4
179.10826	1.6
179.14313	4.9
181.12225	5.1
193.12292	3.4
195.13744	2.5
205.15984	1.6
219.17485	1.8
221.18939	5.8
235.20534	2.6
249.18379	2.6
252.45891	1.4
263.20157	2.0
277.21530	1.7
287.23532	2.9
303.26538	1.5
305.24716	100.0
306.24991	4.8
319.26294	20.8
329.24771	5.1
347.25766	93.6
348.26144	6.7
365.26822	6.9
393.29895	2.7
399.20251	1.6
411.31009	5.3
421.29413	39.2
422.29538	3.5
439.30466	31.1
439.36496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05507	9.2
56.50983	1.0
57.03432	2.8
57.07074	16.3
59.04993	3.8
67.05499	11.2
69.07058	10.2
69.12266	6.3
71.04990	1.3
71.08620	1.9
75.04463	1.0
79.05501	7.6
81.07053	21.1
83.04964	3.4
83.08622	3.5
83.44845	0.9
85.06532	8.1
91.05470	4.3
93.07045	10.5
95.04963	3.0
95.08600	12.6
97.06527	6.5
97.10152	2.2
97.34674	0.9
99.08069	1.2
100.13934	1.0
100.27615	1.2
105.07050	7.9
107.08604	13.2
109.06519	11.4
109.10155	5.3
111.04446	5.0
111.08092	2.4
117.06978	2.6
119.08590	6.7
121.06500	1.5
121.10134	5.7
121.11176	0.9
123.08038	9.8
123.11701	3.2
125.05997	4.2
129.07059	1.3
131.08585	3.0
133.10123	5.6
135.08046	12.0
135.11679	6.7
137.05974	21.4
137.09613	2.1
137.13245	1.7
139.07516	1.6
143.08459	1.8
145.10136	3.3
147.08022	1.6
147.11661	5.2
149.09625	4.0
149.13293	1.1
151.07495	6.2
151.11157	1.9
152.08296	3.0
153.12743	2.2
155.01048	1.0
157.10143	2.5
159.11760	2.0
161.09636	3.2
161.13330	2.0
163.11159	2.9
163.14832	1.6
165.09097	5.6
165.12775	8.1
173.13155	1.4
175.11168	3.1
177.12805	4.9
179.10628	2.3
179.14293	2.5
181.12161	1.7
191.14404	2.2
193.12317	1.7
194.12926	2.5
205.15875	1.3
207.13846	7.1
213.16444	1.3
233.19116	2.7
263.20062	2.9
277.21729	1.8
291.19553	2.3
299.25629	1.5
301.25449	1.2
319.26300	13.9
320.26614	1.2
329.24777	3.4
337.27438	1.1
347.25784	100.0
348.26224	4.0
365.26831	12.5
388.01376	1.0
393.29874	2.2
411.30960	7.8
421.29483	38.1
422.29709	3.3
439.20267	2.4
439.30508	84.0
440.30884	5.0
452.65152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05872	0.8
55.68855	0.9
56.53941	1.1
66.69529	1.0
69.03442	1.0
69.11543	3.5
69.11961	3.2
91.05486	1.0
98.23518	2.6
122.57131	1.1
126.36929	1.1
127.98850	1.0
219.08081	1.7
229.08740	1.2
247.07530	2.0
257.08002	2.1
261.09070	1.9
262.06290	1.4
263.07089	2.6
275.07132	1.7
276.07886	1.9
277.08539	1.9
278.05750	2.7
289.08539	2.7
290.05826	2.0
290.09320	2.8
291.06738	1.9
291.10077	1.2
292.07303	1.2
293.08221	1.2
293.11664	3.4
295.09607	1.7
303.91953	1.2
304.07312	1.3
305.08054	4.5
306.08899	2.4
307.09476	1.8
319.09677	9.8
320.10486	9.6
321.07532	1.5
321.11060	3.5
333.07574	1.5
334.08279	2.4
335.09033	3.2
336.09998	8.3
337.10382	1.7
347.09018	1.9
350.11569	2.2
351.12094	5.7
364.09412	3.2
365.10107	4.3
395.11252	100.0
396.11612	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.8
56.94565	2.0
57.03440	23.7
59.05006	6.2
60.04519	2.6
61.02930	6.0
67.02134	1.6
67.05511	2.9
69.03426	79.3
69.07068	68.5
69.43011	7.3
71.05003	2.0
72.58956	2.0
73.02927	9.2
79.05499	2.8
81.03418	7.4
81.07056	4.5
83.04977	3.0
84.81542	1.9
85.02904	82.4
87.04470	52.3
91.03947	3.2
91.05495	2.3
94.06584	2.1
95.08591	3.5
97.02891	77.6
98.45132	2.3
99.04466	3.1
109.02893	5.9
111.04465	2.6
111.11716	33.6
115.03925	100.0
127.03911	12.6
133.04962	94.4
136.06485	2.2
145.04958	20.2
150.07622	14.1
153.12738	4.1
163.06042	12.0
169.04982	1.9
175.05888	2.2
203.05257	3.3
207.13800	4.8
225.14883	2.6
237.14743	2.1
243.15942	3.8
251.31235	1.9
259.07983	3.5
277.09195	2.0
295.10284	4.9
396.23663	2.8
440.23465	12.1
441.24612	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27890	0.3
57.03428	0.3
60.08172	0.4
69.48708	1.4
70.06580	0.5
77.15768	0.3
83.01086	0.5
84.01906	0.5
85.02924	0.4
86.09673	0.3
87.09982	0.3
90.90806	0.3
95.01085	1.0
96.01852	0.7
104.10736	1.0
110.03249	0.3
112.01339	0.8
113.02097	1.8
114.05475	0.5
114.14115	0.3
117.03331	0.5
119.86033	0.4
126.02844	0.4
137.05914	0.4
145.02852	1.4
146.06026	0.4
157.04732	0.5
159.04185	0.4
177.05428	1.7
185.04196	2.8
189.05260	0.4
199.13248	0.4
201.03703	0.6
202.04523	0.4
203.05269	0.7
204.07584	2.8
205.08340	0.5
207.89688	0.3
239.55391	0.4
243.08362	0.5
259.08002	0.9
279.12024	1.1
320.29208	0.4
392.73776	0.4
441.17294	100.0
442.17239	2.7
442.20966	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
55.79864	0.6
65.72511	0.6
67.05510	0.9
69.03399	0.8
69.07061	5.3
70.06587	8.2
72.08154	1.2
79.05493	0.8
85.02895	0.9
86.09722	4.3
91.05457	0.9
93.07029	1.8
95.08616	1.2
97.02890	0.9
107.08599	1.4
111.11697	0.9
111.71567	0.8
116.07121	1.0
119.01949	0.8
120.08149	1.9
129.12726	1.8
143.01938	1.3
185.04251	1.1
185.16504	1.6
193.12044	4.2
201.03700	1.4
203.05304	1.0
213.16025	1.5
229.15503	6.2
243.04819	7.1
245.06364	2.4
271.04266	1.7
287.03726	61.5
288.04019	2.4
289.05307	32.9
355.17328	1.1
394.92407	0.7
397.18326	9.1
398.18805	1.3
441.17303	100.0
442.17783	6.5
459.96185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
55.05502	0.6
55.24580	0.4
64.38740	0.5
69.03433	0.8
69.07064	3.8
69.80418	1.3
70.06596	1.2
70.78417	0.4
71.14079	0.4
79.08505	0.4
81.03405	0.6
82.46337	0.4
86.09686	0.5
89.64530	0.4
91.05487	0.7
93.07047	1.1
96.51761	0.4
97.02868	0.6
105.07013	0.5
107.08563	0.6
111.11711	1.2
129.12769	1.7
133.04944	0.4
165.09090	0.9
193.11989	2.3
237.87898	0.4
243.04840	0.9
245.06313	1.6
265.53207	0.4
271.04306	0.9
287.03781	2.2
289.05338	11.2
297.26666	0.4
337.16248	0.5
355.17282	4.3
379.17407	2.3
397.18341	28.5
398.18533	1.2
423.16235	8.3
424.16879	0.5
441.17276	100.0
442.17758	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
55.01854	0.3
57.03422	0.4
58.12301	0.3
60.08145	1.3
60.65855	0.2
65.12150	0.3
66.00815	0.4
66.34108	0.3
69.03415	0.3
70.06586	1.3
70.70797	0.3
72.08154	0.5
73.02904	0.4
83.01091	0.4
84.01877	0.6
85.02892	0.5
86.09681	0.9
91.05483	0.5
95.01080	1.5
96.01881	0.7
97.02848	0.3
100.86159	0.3
104.10744	3.7
109.65366	0.3
110.07192	0.3
112.01353	0.7
113.02139	2.5
117.03388	1.0
126.02866	0.7
137.06009	0.3
141.05203	0.4
145.02817	2.9
145.66641	0.3
149.06001	0.4
157.04755	0.5
167.03114	0.4
177.05446	4.6
185.04196	3.0
189.05255	0.4
199.13400	0.4
201.03729	0.8
202.04399	0.4
203.05249	0.7
204.07549	2.9
213.97603	0.3
243.08081	0.3
245.48769	0.3
246.00739	0.3
259.07928	1.0
279.11957	1.2
441.17261	100.0
442.20465	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1885
Annotation	Globuliferin
Peak:m/z	Relative Intensity
52.69801	0.5
55.05504	0.7
55.35239	0.5
59.11493	0.6
62.58028	0.7
70.67194	0.6
70.67518	0.5
95.08607	1.0
107.08611	0.6
118.76535	0.6
118.87018	0.5
119.08537	1.0
137.05963	2.2
151.07532	1.9
160.33189	0.5
170.89775	0.5
202.10706	1.1
334.57501	0.6
381.16702	12.3
384.68646	0.6
433.69775	0.6
441.18835	100.0
441.24161	4.9
442.19061	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28638	0.8
51.53668	0.8
55.05509	10.1
55.76033	0.9
57.03426	3.6
59.04979	0.8
63.66382	0.9
67.05483	1.0
69.03428	7.5
69.07066	100.0
69.37194	3.4
69.37614	1.4
70.07385	1.2
73.02913	7.2
79.58404	0.9
81.03408	1.3
83.04967	0.9
85.02903	16.5
91.03958	0.8
97.02892	10.8
98.22662	1.9
106.06560	1.4
109.02874	1.1
111.11716	55.7
112.12039	1.1
115.03905	6.2
127.03918	3.6
129.12753	63.3
130.13068	1.9
133.04903	1.4
145.04973	2.9
147.13799	15.1
163.06036	1.7
193.04970	1.4
200.06808	0.9
200.13649	1.4
202.25980	0.8
223.06013	1.2
229.40524	0.9
241.07167	1.4
259.08145	1.1
313.95844	0.8
441.16559	1.0
441.24371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05489	7.9
57.03423	4.2
64.73484	2.0
66.87852	1.7
67.05470	3.8
69.03434	13.2
69.07068	100.0
69.31129	6.5
69.31538	3.4
70.06590	17.3
70.07394	2.1
72.08141	4.5
73.02909	2.3
80.33725	1.8
81.03402	2.6
81.07043	2.1
85.02922	12.4
86.09706	15.9
87.04481	9.4
91.05455	2.5
93.07046	2.7
95.08582	3.1
97.02879	12.9
97.06487	2.2
104.54632	1.8
105.06934	2.6
111.11719	53.2
112.11993	2.8
114.09148	3.0
115.03927	10.3
116.07032	4.4
120.08143	2.3
127.03901	3.1
129.12761	51.1
133.04962	12.2
147.13785	14.2
151.85719	2.0
165.09087	11.8
185.16475	4.1
189.00729	2.1
213.15932	4.9
229.15408	12.4
245.06221	4.5
287.03793	9.4
289.05295	44.0
296.15851	2.2
296.51614	2.3
355.17450	2.8
397.18179	10.1
423.15985	2.7
441.16946	90.3
442.17297	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25594	0.9
53.87263	0.8
55.05511	1.2
61.43110	1.0
67.05505	1.1
69.03419	2.1
69.07063	1.9
71.45173	1.5
72.87998	0.8
73.49556	1.0
79.05499	1.6
81.03439	1.2
81.07057	2.7
83.08630	1.8
85.02932	4.4
85.06550	1.1
87.00852	2.5
91.05486	2.6
93.07054	1.9
95.08604	3.5
97.02913	1.5
97.06533	2.3
105.01885	1.9
105.07050	2.3
107.08588	2.6
108.08158	1.3
109.10139	1.1
116.07166	1.6
119.08572	5.3
120.08076	1.0
121.10151	1.9
122.79053	1.0
127.03935	2.0
128.96780	0.9
133.10138	3.3
135.11687	1.5
145.84314	1.0
147.11696	1.7
161.19044	1.0
173.13237	1.1
175.14839	10.3
177.16446	1.9
184.07216	1.5
193.12065	1.9
193.15894	1.2
201.03726	6.8
203.05269	6.4
205.15901	1.6
245.06367	2.1
261.18286	3.2
263.19843	6.7
263.22244	1.1
289.05331	3.6
355.17352	6.0
397.18536	16.2
397.23947	2.7
441.17310	61.4
441.24570	100.0
442.17471	4.5
442.24634	3.7
442.28845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01863	1.2
55.05511	12.5
57.03443	3.2
57.07076	7.1
65.36428	0.8
65.62878	0.9
67.05505	14.2
67.92621	0.8
68.79739	0.9
69.07071	23.7
71.01322	1.0
71.04994	2.9
71.07524	1.6
71.08636	13.5
79.05492	8.3
81.07056	21.9
81.07500	1.8
83.05001	3.0
83.08614	8.7
85.06557	2.6
91.05480	8.0
93.07057	13.8
95.04977	1.9
95.08609	23.0
97.06561	4.9
97.10176	4.2
99.08101	12.7
105.07047	9.4
107.08601	18.2
109.06518	11.1
109.10170	10.6
111.04467	2.3
111.08080	3.5
119.08585	12.5
120.08147	1.5
121.06537	1.5
121.08473	1.8
121.10160	10.7
123.08070	38.7
123.11730	4.5
124.08443	1.2
125.05936	1.9
125.09666	1.4
127.53383	1.0
131.08577	4.5
133.10126	11.1
135.08092	9.6
135.11676	7.2
137.09630	4.2
137.13304	3.4
139.07634	1.0
139.11111	1.0
142.27562	1.0
145.10152	5.0
147.11726	4.1
147.85019	1.2
149.09599	4.6
149.13283	3.0
151.11252	1.1
151.14948	1.2
153.12758	5.7
153.31572	1.2
159.11699	4.0
161.13304	4.2
163.11145	1.6
163.14876	2.0
165.12744	1.9
170.67116	0.9
171.11661	1.1
173.13278	2.9
175.14879	3.1
175.75908	1.2
177.12843	2.3
177.16438	1.5
179.14304	44.4
187.14755	1.4
189.16441	2.3
190.71158	1.0
191.14319	3.6
191.18021	1.2
193.15926	2.4
203.88785	1.1
205.15924	1.7
219.17386	1.1
223.20454	1.2
233.19058	2.0
251.20067	15.3
269.13568	26.0
275.20099	3.5
285.25595	1.2
293.21124	9.9
293.28494	2.9
303.26846	18.0
304.27231	2.0
313.25287	1.1
321.27872	3.9
331.26318	61.5
332.26721	4.1
349.27377	78.3
350.27789	4.9
377.17145	1.0
405.30115	6.3
423.31070	100.0
424.31442	6.7
441.20056	2.2
441.30426	1.4
441.36951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
66.73522	0.7
67.05482	1.0
70.38744	1.3
79.01843	2.7
81.90811	0.6
95.08597	0.7
95.10513	0.6
107.01305	4.6
109.02872	2.1
112.13729	0.6
131.08505	0.6
137.02333	60.7
138.02696	0.9
155.01198	0.6
166.49696	0.6
166.51756	0.5
172.05138	1.4
176.50838	0.7
181.08531	0.6
215.07086	0.9
223.07513	1.5
229.08574	1.3
230.09357	5.0
231.06493	3.9
235.07535	1.9
236.08438	0.6
245.08020	3.4
247.07602	0.7
249.09044	0.7
251.07062	2.7
257.08023	1.9
263.06995	2.2
264.07687	0.7
265.08493	1.1
266.09317	1.3
267.10059	0.7
274.08374	12.0
277.08484	3.0
278.09387	1.7
279.06445	2.1
279.09747	0.7
281.08240	0.7
281.11597	1.0
283.09601	1.0
291.06528	3.3
292.07217	1.3
293.07935	1.4
294.05191	0.8
294.08615	1.4
305.04919	0.9
305.07895	3.4
306.08762	8.6
307.06012	3.4
307.09290	1.4
309.11154	4.6
311.20728	0.8
320.06638	1.1
321.07419	3.4
322.08197	4.0
323.09125	1.1
325.10800	0.8
334.08328	1.1
335.05466	1.0
335.09140	2.3
336.09787	4.2
337.10556	3.3
349.06943	0.7
352.09442	1.5
353.10254	2.0
362.07742	1.0
363.08612	2.3
367.11749	2.2
378.07242	1.1
379.08224	0.8
381.09747	2.2
393.09991	0.6
402.46628	0.7
411.10709	100.0
412.11102	5.3
441.28229	1.1
443.13217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05514	3.7
57.03174	3.1
57.03432	29.7
61.02926	12.2
62.70946	1.5
63.04713	1.6
63.71972	1.5
65.03918	2.4
65.47116	1.4
67.05499	5.9
68.05032	4.5
69.03422	28.5
69.07063	4.4
69.31974	9.0
70.06591	3.5
71.01374	2.6
71.04987	6.4
73.02913	55.4
79.05480	9.5
81.03444	4.3
81.07040	8.6
85.02904	42.6
85.10164	3.0
86.09682	3.1
87.04443	2.4
91.05478	17.0
93.07045	11.6
95.06089	76.3
95.08604	22.3
97.02264	2.3
97.02889	48.0
97.03490	3.5
97.07655	3.4
99.04458	2.1
99.83405	2.0
103.99193	1.8
105.07043	8.4
107.08602	4.9
109.02879	6.6
109.07635	2.6
113.07124	45.3
113.08334	1.8
113.09644	11.9
115.03925	34.6
115.05354	1.8
116.06274	2.0
117.07011	7.3
119.08497	2.1
127.03931	12.7
128.06194	4.1
129.07011	21.5
131.08575	41.3
131.10674	100.0
133.04988	11.4
133.10144	5.5
135.04355	3.6
137.05980	5.7
141.07005	10.6
142.07739	6.7
143.08548	19.2
145.04941	13.0
145.10107	15.6
149.09604	6.2
151.04031	1.6
153.06979	7.0
155.08513	17.6
156.09383	4.1
157.06454	3.6
157.10147	4.4
163.06065	6.5
165.07016	13.7
166.07770	22.2
167.08469	2.9
168.09299	4.8
168.13791	2.6
169.10095	2.7
171.08028	5.2
171.11687	31.0
173.13367	2.5
175.07518	2.3
179.08698	1.9
181.10103	64.8
183.11664	3.9
184.08850	1.9
199.07553	2.5
199.11188	36.0
201.09128	3.3
201.12735	7.1
209.09576	10.3
217.12221	39.5
218.12578	2.7
223.05975	4.2
227.10655	58.4
228.10880	1.9
241.07057	3.9
245.11736	17.8
259.08176	2.4
263.12781	34.4
265.19043	2.0
289.19058	2.9
295.10257	3.5
307.20114	22.7
321.21497	4.6
339.22766	19.4
341.12881	2.0
366.27521	38.5
380.28821	3.0
398.25040	3.4
398.30106	45.7
410.26535	6.4
442.29291	2.8
443.18573	3.1
443.29852	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
54.40176	0.5
55.01864	1.6
55.05511	3.6
57.03433	4.6
58.86911	0.4
60.08145	0.5
61.02642	0.7
61.02929	8.6
67.05483	0.8
69.03065	1.0
69.03426	16.2
69.07069	1.1
69.86277	0.7
69.86603	0.8
70.03777	0.4
70.06584	3.0
71.04996	4.5
72.08134	0.8
73.02922	3.5
81.03418	6.2
81.07053	1.4
83.08626	4.9
85.02900	100.0
86.03239	1.6
86.09702	1.4
87.04455	2.6
91.03949	5.7
93.07031	0.6
95.06086	0.6
95.08598	1.4
96.04488	3.9
97.02891	24.8
97.06524	0.6
99.04449	4.3
99.08115	0.5
101.02387	0.7
101.09657	0.9
103.03938	1.3
106.06571	0.9
107.06849	0.5
107.08594	1.2
109.02870	8.3
109.07663	1.0
110.95558	0.5
111.08080	1.5
113.09650	1.4
115.03936	1.9
121.06516	1.1
121.10135	0.7
125.09689	0.6
127.03911	24.0
129.09160	1.3
131.10669	0.7
136.07576	1.1
139.07535	2.1
141.09119	1.3
141.16699	0.5
141.52026	0.5
145.04955	47.5
146.05266	1.0
151.07559	0.8
163.06010	17.9
167.10696	0.7
169.08650	0.7
184.07274	0.5
195.67174	0.6
197.11766	0.6
209.11794	1.5
222.07642	0.6
227.12828	1.9
228.13515	0.7
245.13882	2.3
263.14883	2.6
289.09036	0.7
295.01224	0.5
303.10495	0.6
325.11301	1.4
442.15576	0.6
442.25366	1.7
443.18774	0.8
462.49588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12415	1.4
53.03945	2.4
55.01878	1.8
55.05512	3.5
57.03438	5.8
60.05648	1.7
61.02937	9.6
67.05510	1.7
68.05025	2.3
69.03438	19.5
69.07070	7.1
69.15880	4.2
69.16284	2.7
70.06599	12.6
70.07404	1.5
71.05002	6.2
72.08163	7.1
73.02927	5.1
79.05489	1.2
81.03412	5.8
81.07049	4.7
83.08620	2.7
84.08149	1.6
85.02914	100.0
86.03255	1.2
86.09718	33.9
87.04498	2.0
91.03959	6.8
91.05460	1.4
93.07043	2.5
95.06104	38.4
95.08604	2.9
96.04469	1.5
97.02906	25.6
97.07671	1.4
98.03343	1.1
98.23431	2.5
99.04465	4.8
105.07103	1.9
105.62591	1.2
107.08608	1.4
109.02876	9.0
109.07587	1.2
110.07182	1.5
111.08108	1.2
111.11732	2.5
112.08720	1.5
113.07143	19.8
115.03914	1.7
115.08634	1.4
116.07093	4.9
120.08120	5.4
127.03933	28.4
128.10707	7.6
129.10303	1.4
129.12787	1.9
131.08600	1.2
131.10681	2.4
139.07484	1.2
141.09019	1.2
145.04973	49.6
148.07623	1.2
156.11316	3.7
158.09296	1.9
160.02750	1.3
163.06029	18.8
167.07077	3.6
167.54799	1.4
175.11891	4.4
179.10670	1.6
214.11934	3.3
227.12816	1.8
229.15509	1.5
263.14987	1.5
271.17526	2.1
289.18945	1.3
307.20175	10.8
312.53787	1.2
325.11224	2.1
339.22687	3.9
366.27502	19.9
398.30063	12.7
410.26352	1.3
442.17429	8.9
442.22495	1.7
443.18616	3.8
443.29706	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01864	2.2
55.05513	21.2
57.03452	4.8
61.02919	3.9
67.05511	8.0
69.03429	4.6
69.07059	3.1
70.06574	1.6
71.44766	1.3
73.02910	1.2
79.05494	6.7
79.05871	1.1
81.07043	4.2
83.04980	2.1
83.08623	13.6
85.02911	7.0
85.06564	1.3
86.09697	3.9
91.03920	1.7
91.05467	1.4
93.07050	3.1
93.65110	0.9
95.08630	1.2
95.56274	0.9
97.02893	3.1
97.10171	38.5
99.04363	1.5
105.07018	1.1
107.08609	10.7
109.07658	1.2
109.10172	2.1
117.07095	0.9
120.08089	1.4
121.08535	1.3
125.09637	42.4
127.03899	3.1
132.86333	1.0
135.04396	2.1
135.08052	4.3
143.10643	2.9
145.04936	4.0
153.09125	1.9
171.10158	7.0
177.09134	11.7
189.11209	35.7
227.12773	78.4
228.13153	2.5
231.15051	2.4
238.91621	1.0
245.13846	100.0
246.14139	3.6
259.09671	1.3
263.14972	5.1
313.09506	1.1
400.79605	1.2
407.19299	1.0
442.18378	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.6
55.05513	6.2
57.03437	24.4
58.06594	2.6
60.04528	3.5
61.02925	8.0
67.05508	10.8
68.05034	6.7
69.03427	38.1
69.07064	5.2
69.80784	6.3
70.06590	10.1
71.01331	3.5
71.04993	3.0
71.08627	3.2
72.04521	6.2
73.02917	46.8
74.06091	2.4
79.05498	5.8
80.05024	2.7
81.03423	7.8
81.07061	12.7
82.06601	3.7
84.08133	4.2
85.02905	100.0
86.06052	2.0
87.04463	5.4
91.03957	5.0
91.05486	6.9
93.07043	5.7
95.04955	3.5
95.08606	7.2
96.04510	5.3
97.02893	56.9
97.06559	5.3
97.10164	2.6
98.06052	3.2
98.22816	3.3
99.04455	4.2
100.07620	2.4
100.11260	7.2
105.07020	5.1
107.08613	5.3
109.02865	9.2
109.06550	2.6
109.10172	4.3
110.06030	3.0
114.05489	2.3
115.03926	40.9
116.07127	4.7
119.08620	4.9
120.08141	1.8
121.10160	4.9
127.03912	30.8
129.06960	2.5
130.08647	6.8
131.08673	2.5
132.06569	6.4
133.04980	18.5
133.10129	5.3
134.08096	3.0
136.07509	3.0
145.04959	60.0
145.10060	3.0
146.08141	7.0
147.11746	1.9
150.07634	13.9
150.09181	2.4
154.08617	2.1
162.09064	2.0
163.06010	39.1
168.10233	6.1
170.78784	2.1
174.09222	2.9
178.07159	3.3
186.11255	5.1
192.10335	2.2
198.11316	2.1
200.12877	3.4
204.12317	38.1
208.13385	2.4
210.11234	12.1
211.12041	2.4
211.47798	1.8
214.14380	3.0
223.06041	3.4
224.12794	2.5
226.14417	4.8
228.12424	2.9
236.16457	4.9
241.07164	5.2
254.17488	43.6
255.17955	2.8
259.10037	3.5
264.15924	2.6
275.09845	1.9
275.20068	2.0
282.17050	5.4
291.19528	6.0
295.10416	3.4
300.18051	26.5
318.19159	19.5
378.26913	2.0
396.27402	51.2
397.16608	3.6
397.27634	5.1
397.55795	1.9
424.26791	12.9
442.24316	25.9
442.27936	50.8
443.17026	6.1
443.28369	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.6
55.05513	6.2
57.03437	24.4
58.06594	2.6
60.04528	3.5
61.02925	8.0
67.05508	10.8
68.05034	6.7
69.03427	38.1
69.07064	5.2
69.80784	6.3
70.06590	10.1
71.01331	3.5
71.04993	3.0
71.08627	3.2
72.04521	6.2
73.02917	46.8
74.06091	2.4
79.05498	5.8
80.05024	2.7
81.03423	7.8
81.07061	12.7
82.06601	3.7
84.08133	4.2
85.02905	100.0
86.06052	2.0
87.04463	5.4
91.03957	5.0
91.05486	6.9
93.07043	5.7
95.04955	3.5
95.08606	7.2
96.04510	5.3
97.02893	56.9
97.06559	5.3
97.10164	2.6
98.06052	3.2
98.22816	3.3
99.04455	4.2
100.07620	2.4
100.11260	7.2
105.07020	5.1
107.08613	5.3
109.02865	9.2
109.06550	2.6
109.10172	4.3
110.06030	3.0
114.05489	2.3
115.03926	40.9
116.07127	4.7
119.08620	4.9
120.08141	1.8
121.10160	4.9
127.03912	30.8
129.06960	2.5
130.08647	6.8
131.08673	2.5
132.06569	6.4
133.04980	18.5
133.10129	5.3
134.08096	3.0
136.07509	3.0
145.04959	60.0
145.10060	3.0
146.08141	7.0
147.11746	1.9
150.07634	13.9
150.09181	2.4
154.08617	2.1
162.09064	2.0
163.06010	39.1
168.10233	6.1
170.78784	2.1
174.09222	2.9
178.07159	3.3
186.11255	5.1
192.10335	2.2
198.11316	2.1
200.12877	3.4
204.12317	38.1
208.13385	2.4
210.11234	12.1
211.12041	2.4
211.47798	1.8
214.14380	3.0
223.06041	3.4
224.12794	2.5
226.14417	4.8
228.12424	2.9
236.16457	4.9
241.07164	5.2
254.17488	43.6
255.17955	2.8
259.10037	3.5
264.15924	2.6
275.09845	1.9
275.20068	2.0
282.17050	5.4
291.19528	6.0
295.10416	3.4
300.18051	26.5
318.19159	19.5
378.26913	2.0
396.27402	51.2
397.16608	3.6
397.27634	5.1
397.55795	1.9
424.26791	12.9
442.24316	25.9
442.27936	50.8
443.17026	6.1
443.28369	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76304	0.6
52.25769	0.7
55.01871	2.4
55.05511	10.5
56.05047	1.0
57.03441	1.4
59.04987	0.9
60.04512	1.7
63.99274	0.7
67.05505	7.1
68.05028	4.8
69.03435	4.0
69.07079	4.3
70.06591	1.6
71.04994	1.4
72.04520	2.1
74.06084	2.8
79.05499	5.6
80.05023	3.0
81.03436	5.7
81.07066	8.2
82.06613	1.0
82.55565	0.9
83.04982	2.5
83.08623	6.4
84.08134	1.3
85.02911	2.6
86.06055	2.0
86.09731	0.8
87.04477	1.1
91.05493	3.2
93.07044	3.7
94.06557	1.0
95.04969	2.4
95.08591	3.6
96.04493	2.3
96.08131	0.8
97.02895	2.1
97.06545	2.1
97.10175	10.3
98.06055	8.1
98.23525	1.4
100.07619	1.3
105.07028	2.4
107.04964	1.9
107.08588	4.5
109.06557	1.2
109.10176	2.1
110.06021	0.9
111.04418	1.8
111.08065	1.1
112.07607	1.8
112.11237	0.8
114.05540	0.7
115.03901	1.9
116.07109	5.2
117.07030	1.3
119.08595	2.7
121.10178	1.0
123.08099	2.2
123.11781	0.7
125.09641	7.2
128.07100	2.1
129.06992	0.9
130.08643	2.2
132.06549	4.8
133.05002	1.8
133.10136	2.2
134.08131	12.4
135.08116	1.5
137.09622	0.7
145.05009	0.8
145.10132	1.6
146.08145	10.6
147.08014	0.8
147.11612	1.0
149.09631	1.1
150.07608	1.6
157.10199	1.4
158.08067	0.9
159.11711	1.3
160.09760	1.1
163.11147	1.3
165.09158	1.0
168.10260	2.0
186.11333	1.5
188.09181	0.9
189.11224	2.2
196.13348	1.7
204.12305	12.1
210.11270	1.2
211.13390	1.5
212.09187	37.9
212.58780	0.8
214.14380	16.0
252.16034	0.8
256.15430	2.6
259.09787	0.9
270.16943	1.1
277.37363	0.8
288.18152	4.9
291.19608	2.7
304.41583	1.0
318.15665	0.8
318.19278	2.6
326.03635	0.8
344.20850	1.0
355.19952	3.0
396.27393	7.7
406.26263	1.1
424.26685	6.8
426.13705	0.8
442.28018	100.0
443.22760	1.2
443.28088	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.24
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57821	0.3
67.05500	0.5
68.02728	0.3
69.07056	0.4
70.06587	0.6
71.46811	0.4
81.07043	0.6
91.05445	0.4
93.07025	1.0
105.07036	0.4
107.04941	0.4
108.55646	0.4
113.00022	1.3
119.08557	0.5
159.11673	0.4
169.02641	0.9
175.34393	0.4
186.51448	0.4
202.15955	0.4
226.45070	0.4
271.13120	2.3
272.13605	0.6
275.20215	0.6
326.56976	0.4
388.87051	0.4
425.23264	0.5
443.24020	100.0
444.24405	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01858	1.2
55.05507	4.9
65.03925	0.8
67.05499	6.6
69.03435	0.6
69.07055	1.5
71.04964	0.6
79.05489	2.7
81.07056	3.2
83.04977	9.1
83.08640	0.8
91.05479	5.1
93.07042	6.9
95.04958	2.5
95.08607	9.1
97.06530	1.0
99.72337	0.6
105.07019	6.5
107.08573	4.9
109.06541	1.3
109.10151	3.0
111.04433	4.4
111.08093	4.2
115.05479	0.9
117.07008	1.4
119.08565	7.1
121.06494	1.7
121.10145	2.7
123.08087	1.6
123.11658	0.8
128.06235	2.2
129.06993	4.6
131.08598	3.3
133.06502	3.3
133.10120	4.4
135.08041	1.9
135.11726	0.8
135.65355	0.6
139.07526	1.7
141.06992	1.9
142.07745	2.8
143.08543	4.7
144.09312	0.8
145.06502	1.6
145.10104	3.3
147.08052	2.2
147.11697	2.0
153.07027	1.6
154.07784	1.7
155.08557	7.9
156.09279	3.9
157.06477	8.5
157.10110	4.9
158.07239	0.7
159.08032	1.9
159.11720	2.1
161.09644	3.0
161.13213	1.4
165.06989	3.0
166.07777	1.2
167.08574	2.3
168.09337	1.6
169.06529	1.4
169.10136	6.0
170.10913	1.2
171.08040	2.1
171.11694	5.8
172.08856	0.8
173.09608	1.3
173.13315	0.7
175.11154	1.4
178.07945	0.6
179.08540	3.9
180.09299	1.5
181.06587	1.2
181.10155	3.5
182.07271	0.9
182.10902	1.8
183.08078	2.0
183.11638	2.8
184.08795	2.8
185.09663	1.3
185.13240	1.1
187.11221	2.4
189.12738	1.3
191.08594	2.1
192.09358	1.6
193.10126	3.3
194.07275	0.9
194.10924	2.9
195.08038	4.1
195.11674	3.2
196.08812	1.2
196.12421	0.8
197.09573	4.5
197.13274	2.1
198.10356	0.9
199.11179	23.8
200.11586	1.1
201.12738	0.8
202.07701	0.8
203.08615	1.2
204.09320	1.6
205.10178	3.2
205.12128	0.7
206.10832	2.9
207.08099	1.8
207.11711	5.0
208.08839	0.9
208.12480	1.5
209.09630	4.3
209.13197	4.3
211.11125	1.3
211.14813	2.4
213.12851	1.2
215.08589	0.9
216.09355	1.8
217.10178	3.7
218.10898	2.4
219.08138	1.3
219.11688	4.4
220.08853	0.9
220.12440	2.0
221.09659	1.6
221.13177	5.3
222.10469	1.6
222.13991	0.7
223.11183	1.9
223.14804	1.4
225.12782	1.9
227.14220	0.7
229.10124	2.1
230.10844	2.3
231.08090	2.6
231.11647	4.9
232.08818	1.7
232.12469	1.6
233.09662	2.4
233.13196	2.9
234.10442	1.1
234.13989	0.7
235.11136	3.9
235.14868	1.8
236.11823	1.6
237.12703	6.1
239.14369	2.4
241.10072	0.9
242.10974	1.0
243.11613	3.1
244.12498	2.3
245.09637	3.5
245.13271	4.2
246.10425	4.3
246.13950	1.9
247.11166	4.4
247.14825	3.9
248.11931	1.3
248.15533	0.9
249.12766	7.2
249.16373	0.9
250.13373	1.1
251.14323	5.3
253.10179	0.9
255.11716	1.9
256.12457	0.9
257.09796	1.1
257.13266	2.6
258.10519	1.4
258.14014	1.1
259.11285	5.1
259.14688	3.4
260.12045	3.2
260.15497	2.1
261.12723	7.0
261.16193	2.9
262.13367	1.4
263.14322	4.0
265.15796	1.4
268.12689	0.7
269.13336	2.0
270.10806	1.0
270.14069	1.4
271.11255	2.2
271.14832	2.7
272.11975	2.7
272.15598	1.6
273.12790	4.5
273.16330	2.4
274.13446	2.1
274.17053	0.7
275.14426	2.8
275.18002	2.5
277.15842	2.8
283.11484	0.7
283.14816	1.7
284.15509	1.2
285.12927	1.8
285.16354	1.9
286.13437	2.1
286.16809	1.1
287.14328	7.0
287.17981	2.9
288.15057	1.8
288.18561	0.7
289.15906	3.8
289.19479	1.7
290.16544	0.8
291.17346	1.0
299.14386	1.8
299.17908	1.1
300.14987	0.9
300.18613	0.6
301.15878	5.7
301.19580	3.1
302.16742	2.9
303.17468	6.3
303.20816	0.7
304.18152	2.2
305.18961	2.9
311.17935	1.9
313.19312	0.8
314.16565	1.2
315.17554	2.9
316.18338	1.1
316.21881	1.5
317.19073	1.8
325.15939	1.1
326.20364	0.8
327.17474	1.3
327.21332	0.7
329.18988	9.5
330.19662	1.3
331.20450	2.8
333.22052	1.6
343.20547	2.6
344.21347	5.4
345.21918	1.6
355.20697	1.3
369.22281	0.7
371.15247	0.7
383.19791	1.0
397.25381	2.3
401.21088	2.3
407.23373	1.1
415.26294	38.4
416.26663	3.8
425.24728	12.7
426.24890	1.1
443.25830	100.0
444.26190	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01865	1.3
55.05508	9.1
60.04522	6.8
67.05205	0.6
67.05499	6.8
68.04658	0.8
68.05025	15.5
69.03066	0.7
69.03428	13.7
69.07064	17.6
70.06578	3.1
70.07397	0.5
71.04980	0.9
77.54681	0.6
79.05483	5.2
80.05019	5.1
81.07050	7.4
82.06576	0.5
83.04965	0.9
83.08615	4.7
84.67626	0.5
85.02881	0.9
86.06076	0.6
90.23906	0.5
91.05425	3.3
93.07053	3.1
95.04963	0.7
95.08605	3.3
97.06502	1.3
97.10168	9.4
98.06051	24.2
98.23419	1.7
105.06997	2.8
105.99966	0.5
107.08582	5.8
108.08111	0.5
109.06528	0.7
109.10168	1.6
115.03928	0.5
116.07086	24.5
116.07906	1.2
117.06986	0.6
119.08572	2.4
121.10145	1.0
125.09625	7.8
131.08560	0.9
132.06558	3.2
133.06068	0.9
133.10126	1.6
134.08119	100.0
135.08284	1.2
135.11693	1.0
145.10156	0.6
147.11720	1.3
148.32390	0.6
152.14323	1.1
156.53267	0.6
158.05980	0.5
161.13196	0.9
167.06955	0.8
171.11601	0.8
179.14391	0.5
186.05496	1.9
189.11230	4.2
194.79736	0.5
218.90637	0.5
227.89882	0.6
232.06085	4.4
246.52502	0.5
250.07147	1.4
254.17491	2.5
264.16248	0.8
275.20062	1.6
313.07181	1.2
327.08575	0.6
328.21213	4.5
343.08136	0.7
355.08020	0.6
383.07736	1.1
401.20724	2.8
426.28403	3.3
444.19724	1.8
444.29556	74.7
445.11066	0.5
445.23627	1.4
445.29889	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75753	0.5
55.05512	7.6
56.79188	0.5
57.07066	2.0
58.06590	1.4
67.05489	1.6
69.07064	6.2
70.06590	17.1
70.56262	0.4
72.08157	3.7
79.05470	0.6
81.07047	2.1
83.04949	0.6
83.08611	3.0
84.08131	1.6
86.09698	3.5
88.07630	6.1
89.06030	0.8
93.07057	0.8
94.42085	0.6
95.08604	2.2
95.92890	0.5
97.10174	1.2
98.22697	1.6
102.09163	2.8
105.07039	0.6
112.99997	1.5
114.09097	0.7
116.62933	0.6
119.08615	0.6
132.09267	1.1
132.10202	12.6
145.10156	0.6
146.11760	8.3
147.11700	0.7
151.07547	1.6
169.02652	0.8
177.09129	0.7
181.08606	1.0
254.32007	0.5
256.89053	0.6
294.31586	1.7
320.33203	1.4
338.34186	7.3
339.34320	0.7
344.75085	0.6
382.36774	30.0
383.37192	2.3
444.40463	100.0
445.40778	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1018
Annotation	hexacyclopentacoronene
Peak:m/z	Relative Intensity
56.96567	11.1
59.00474	1.1
67.05529	0.9
69.53925	3.0
70.06584	3.0
71.57486	0.9
72.08170	1.0
73.04746	3.8
84.08112	1.9
84.96037	12.1
86.09698	1.4
91.05807	12.3
98.97580	100.0
102.97036	1.5
107.08433	1.0
109.10200	1.0
110.97562	8.6
112.99130	0.9
116.98617	43.4
117.47946	0.8
121.02867	2.0
128.98616	7.8
129.10233	2.3
131.00180	1.3
131.04938	4.8
134.99661	13.4
137.05980	0.9
146.99658	3.9
149.04517	1.4
154.50426	0.9
158.99652	29.2
159.00977	2.0
161.01196	1.0
167.05476	4.6
170.99699	1.9
177.00717	32.0
177.02168	1.7
179.00122	4.2
189.00667	1.5
193.01743	2.2
195.01767	1.8
195.03354	2.2
197.01260	4.5
201.00763	1.3
205.01775	6.6
207.03342	2.7
210.38762	1.1
211.02885	1.1
219.01778	16.9
223.02774	11.0
225.04321	4.1
235.02779	0.9
237.02815	17.6
237.06750	0.8
238.03291	1.0
241.03851	3.6
247.02907	1.3
265.04004	12.3
265.11224	1.1
279.03912	1.4
283.04883	29.7
284.05099	1.3
301.06107	1.8
323.04333	1.6
325.05997	6.8
342.99655	1.2
349.06024	3.1
359.02823	9.2
363.12067	1.4
367.07245	1.2
375.73868	0.9
385.08011	6.8
395.13556	1.0
403.09094	33.0
445.10159	35.3
446.09949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1622
Annotation	tetracycline zwitterion
Peak:m/z	Relative Intensity
55.05496	3.8
69.50647	13.3
70.96503	3.5
79.39273	3.0
81.07025	3.9
88.46031	4.2
95.08601	4.4
98.23508	4.3
105.95628	3.3
112.77590	3.3
129.07053	3.1
134.08090	8.2
151.07547	4.8
165.09050	3.8
272.47733	3.8
282.50613	3.7
303.19843	4.8
309.64386	4.4
359.02731	3.9
426.69238	3.8
445.16107	100.0
445.29510	9.3
446.16217	4.2
469.11044	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60134	0.4
55.01881	0.4
56.96571	0.5
60.42890	0.5
69.48032	0.8
69.48419	0.9
70.06586	2.2
72.08139	1.5
73.04752	1.7
74.02460	2.8
84.04533	0.5
84.08154	0.8
85.02918	0.6
86.09710	3.0
89.06013	0.5
91.05804	3.1
109.02845	0.4
109.05257	1.3
116.07107	0.4
121.02847	0.4
125.05940	0.4
131.04959	0.7
136.07596	0.8
137.04729	3.8
137.05835	0.7
145.04901	0.4
146.06013	1.5
152.07063	100.0
153.07416	2.3
158.62518	0.4
164.07050	0.7
167.05548	1.4
174.05455	0.7
178.08635	0.6
180.01117	0.6
205.09641	0.4
206.08110	1.8
208.06035	0.6
215.08113	0.7
216.06491	0.5
225.04256	1.0
229.15538	0.6
233.09250	1.7
241.00180	0.5
251.10205	0.9
252.05392	1.2
279.09775	3.8
280.08157	1.3
284.12756	0.5
297.10800	9.1
298.10962	0.4
359.02780	2.5
383.16690	0.4
385.07867	1.0
422.06357	0.7
445.16180	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.1
51.02381	0.2
53.03940	0.2
55.01859	0.1
55.05510	0.1
59.04997	0.1
62.06592	0.1
65.03920	0.7
66.04694	0.2
67.05503	0.5
68.52566	0.1
69.03403	0.1
69.19862	0.3
75.04474	0.8
77.03898	0.6
78.04705	0.7
79.05488	1.6
80.05833	0.1
80.06273	1.0
81.03413	0.1
81.07055	0.2
85.02876	0.1
89.03915	0.3
89.06011	0.1
90.04688	1.0
91.05474	6.3
92.06237	0.2
93.03405	0.3
93.07040	1.0
94.04174	0.2
95.04962	1.1
95.08585	0.2
103.05450	1.1
104.06223	0.2
105.03384	0.6
105.04518	0.3
105.05483	0.3
105.07021	1.8
106.04153	1.1
107.04950	8.3
107.08560	0.2
108.05736	4.3
109.05856	0.1
109.06527	1.4
115.05435	0.6
116.06254	0.2
117.07017	1.0
118.04140	0.8
119.04961	0.7
119.06014	0.4
119.08577	0.2
120.05715	0.8
121.02834	0.4
121.06506	4.1
122.03628	0.2
122.07336	0.5
123.04427	1.0
123.08075	1.6
124.05174	0.2
125.05959	0.2
128.06183	0.5
129.07004	0.7
130.07736	0.1
131.04893	1.2
131.08562	0.4
132.05690	0.5
133.06477	1.5
133.07509	0.2
134.03593	0.1
134.07233	0.4
134.66733	0.1
135.04413	3.0
135.08049	2.3
136.05191	11.0
137.05984	3.5
137.09624	0.3
138.06779	1.6
139.07561	0.8
141.06989	0.2
142.07736	0.1
143.04901	0.3
143.05992	0.1
143.08583	0.4
144.05716	0.4
145.06476	2.6
146.07277	1.7
147.04402	0.5
147.08043	2.5
148.05182	7.6
148.08759	0.2
149.06007	2.0
149.07112	0.2
149.09616	0.5
150.06750	2.6
151.04102	2.2
151.07533	100.0
152.07858	2.9
153.05461	0.6
153.06647	0.1
153.09076	1.0
155.05995	0.1
155.07086	0.1
155.08488	0.1
156.05664	0.3
157.06490	1.1
158.07262	1.4
159.04393	0.3
159.08041	2.8
160.05145	0.3
160.08852	1.1
161.05984	3.0
161.09602	0.7
162.06767	0.8
162.36011	0.1
163.07532	4.5
164.08324	2.8
165.05472	1.8
165.06767	0.1
165.09105	11.5
166.06245	21.4
167.07031	3.3
168.07782	0.7
169.06400	0.1
169.08723	0.4
170.07225	0.2
171.04323	0.1
171.08044	2.6
172.05180	0.1
172.08835	1.5
173.05994	3.1
173.09584	0.7
174.06744	2.4
175.07544	2.0
176.08316	2.8
177.05504	0.4
177.09097	11.1
178.06232	0.3
178.09586	0.6
179.07045	1.1
179.10652	3.1
180.07816	2.3
180.11024	0.1
181.08578	68.4
182.08952	2.4
183.10149	0.7
184.08864	0.1
185.05989	0.2
185.09653	0.4
186.06735	0.4
186.10381	1.0
187.07518	3.7
187.11079	0.1
188.08313	5.0
189.05569	0.4
189.09084	7.1
190.06107	0.2
190.09860	1.6
191.06981	0.6
191.10651	4.7
192.07852	0.4
192.11099	0.2
193.08591	4.8
194.09344	0.7
195.10147	5.0
196.10463	0.1
200.08304	0.3
201.09097	4.6
202.09860	4.6
203.07063	1.0
203.10655	10.4
204.07806	0.5
204.11041	0.5
205.08588	1.2
205.12222	0.1
206.09322	0.3
207.10136	3.2
208.10674	0.1
209.11682	0.7
215.10622	1.3
216.07791	0.1
216.11395	1.5
217.08954	0.7
217.12215	5.3
218.09373	0.8
218.12566	0.2
219.10139	2.0
221.11687	1.7
223.09639	0.1
227.10834	0.1
231.07999	0.1
231.10080	0.9
232.08621	0.1
232.10823	0.4
233.11711	3.1
234.11983	0.1
235.13115	0.1
237.11180	0.2
238.09854	0.1
241.12238	0.2
245.11786	0.2
247.11192	0.2
247.13280	2.6
248.13843	0.1
259.11072	0.1
262.13400	0.1
263.10617	0.2
269.11600	0.1
274.09998	0.1
275.10599	0.2
276.11252	0.1
277.12189	0.2
278.12778	0.1
279.13654	0.1
289.12216	0.3
290.13022	0.3
291.10104	0.2
291.13654	0.1
292.11050	0.1
292.14285	0.1
293.11969	0.1
293.15369	0.6
295.13171	0.2
304.10876	0.1
305.11676	0.1
306.12381	0.2
307.13184	0.5
308.13980	0.1
309.11108	0.1
309.14630	0.1
311.16266	0.2
319.13184	0.1
321.14871	0.9
322.15546	0.8
323.12646	0.4
323.16342	0.5
324.13510	0.1
337.14224	0.2
338.15118	0.4
339.15851	1.0
340.16580	0.3
352.16632	0.1
353.17438	3.0
354.18204	6.3
355.15158	0.5
355.19128	0.8
363.15872	0.2
370.17715	22.0
371.18076	1.6
378.18201	0.3
379.15219	0.1
383.18518	0.6
384.18823	0.1
385.20053	34.6
386.20413	2.2
403.21152	1.4
409.19958	0.3
427.21103	0.3
445.22147	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.9
57.03432	1.0
57.07069	1.8
64.73409	0.5
69.07068	4.6
70.30939	0.4
71.07394	0.5
71.08635	1.5
81.07059	0.7
83.08626	4.9
85.10194	0.6
95.08598	0.5
97.10164	2.9
101.19609	0.4
111.11697	1.0
132.52728	0.4
134.98190	15.9
176.99272	0.7
209.01826	1.9
243.39265	0.5
306.50684	0.4
311.25784	5.8
312.26205	0.7
333.24109	1.2
351.24988	2.7
357.00607	0.4
404.32251	0.5
413.20663	1.6
427.22180	2.9
436.72766	0.4
445.23270	100.0
446.23672	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.2
73.85400	0.1
81.07036	0.4
81.77027	0.2
105.07042	0.2
113.00008	0.7
137.05998	0.4
169.02719	0.4
193.92685	0.1
195.09926	0.4
198.89594	0.1
273.14557	0.3
277.17950	0.3
328.59201	0.2
338.25006	0.2
427.24512	1.8
445.25595	100.0
446.25967	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.05508	5.9
57.07064	3.2
67.05500	15.3
69.07057	4.7
71.45677	3.1
79.05482	13.0
81.07055	69.0
81.37029	3.0
83.08649	3.5
84.08144	5.7
85.02895	4.0
91.02555	2.8
91.05454	17.5
93.07029	18.4
95.04956	7.1
95.08601	32.1
105.07036	46.3
107.04935	3.4
107.08587	34.7
109.06493	4.0
109.10168	13.2
113.06065	3.1
116.70551	2.9
116.98592	3.2
119.08580	66.2
121.01792	3.2
121.10136	15.6
123.04411	6.1
123.11704	31.2
129.07033	5.6
131.04866	4.0
133.10123	34.4
135.08095	3.5
135.11699	16.2
137.05965	30.8
138.06725	9.4
143.08594	3.9
147.11696	17.6
150.06735	3.3
151.07555	3.3
157.06522	8.8
158.15791	2.9
159.11702	10.5
161.05945	5.0
161.13248	70.6
169.28592	3.1
173.13333	2.7
174.06758	3.5
176.08290	4.4
184.92619	2.6
188.08359	7.5
189.09077	17.6
189.14655	5.2
189.16376	100.0
190.16684	6.0
195.82867	3.1
202.09877	4.2
217.15898	19.3
233.11740	5.3
249.18462	37.1
386.17090	3.4
446.18530	12.5
446.24533	4.4
447.10468	6.1
447.26624	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1286
Annotation	Cytisoside
Peak:m/z	Relative Intensity
53.03937	0.4
55.15844	0.3
57.03427	0.8
57.35487	0.3
65.03945	0.6
66.67670	0.3
69.11993	2.1
71.46948	0.3
81.03411	2.4
85.02876	1.0
95.04971	0.7
95.60951	0.3
100.63538	0.3
100.95265	0.3
109.02885	1.0
119.04955	1.5
121.02055	0.6
121.02863	7.3
133.02884	0.5
145.02837	2.3
149.02335	2.3
151.03915	0.4
163.03911	0.6
167.03380	1.0
179.03380	5.3
179.04810	0.5
181.04967	1.5
190.02672	0.6
191.03371	1.2
197.04401	1.4
203.03403	0.5
205.05038	0.6
209.04398	1.5
211.07545	0.5
219.06544	1.5
229.04984	0.5
239.07066	0.7
246.70399	0.3
247.05846	0.6
254.05728	1.1
255.06554	2.4
256.07123	0.4
257.04315	1.7
267.06500	20.0
268.07077	1.2
269.08047	1.9
275.05368	0.6
276.07901	0.5
279.06491	0.6
280.07303	1.5
281.04752	0.6
281.08044	1.6
282.05194	1.8
283.06021	1.3
284.06775	3.2
285.07532	4.0
291.06677	0.3
292.07147	0.4
293.08093	0.4
294.05142	2.4
295.05994	1.4
295.09454	0.4
296.70859	0.3
297.07556	100.0
298.07977	6.8
299.08963	0.5
304.07181	0.9
305.07944	0.5
306.08835	0.6
307.05975	2.6
307.09415	0.5
308.06744	8.9
309.07556	4.7
311.05597	0.7
311.09085	1.9
319.09491	1.8
320.06705	0.5
321.07635	2.4
322.08292	4.0
323.09113	22.7
324.09479	1.0
325.07022	0.6
327.08612	40.0
328.08917	2.4
331.05804	0.4
332.06662	0.4
335.08902	1.5
337.10666	14.3
338.10977	0.8
339.08694	0.4
347.09085	1.9
349.06967	0.4
351.08606	31.8
352.09103	2.0
360.06287	1.3
363.08615	5.8
364.09015	0.4
365.10214	3.2
375.08600	9.6
376.08887	0.7
381.09677	17.6
382.10031	1.0
393.09677	16.0
394.10104	1.6
411.10696	18.9
412.11142	1.3
429.11783	6.4
430.12003	0.5
447.12619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1286
Annotation	Sissotrine
Peak:m/z	Relative Intensity
69.03430	0.1
70.50079	0.1
72.08128	0.1
77.53815	0.1
79.05483	0.2
82.19833	0.1
83.22055	0.1
85.02877	0.2
93.07016	0.1
107.08575	0.1
109.10194	0.1
115.15737	0.1
131.65909	0.1
133.06465	0.8
135.04431	0.1
136.06154	0.1
151.07578	0.1
153.01802	1.0
159.04300	0.1
165.06975	0.1
171.02901	0.1
177.05443	0.1
182.35640	0.1
198.73839	0.1
242.05714	12.6
243.06036	0.5
270.05203	10.7
271.05573	0.5
285.07535	100.0
286.07880	4.9
447.12640	0.8
447.28702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01098	0.4
54.30365	0.4
57.03439	3.0
58.02963	3.6
58.73906	0.4
61.02919	1.5
69.03424	4.3
69.90403	1.3
70.06586	0.9
71.01353	0.5
72.08161	0.6
73.02918	5.1
79.05504	1.0
81.03411	1.5
81.07069	0.5
84.08138	0.5
85.02904	16.8
86.03219	0.4
86.09697	2.2
87.04472	0.6
91.05465	3.4
93.07042	0.7
97.02883	6.2
98.06075	0.4
99.04466	0.9
105.07012	0.6
109.02878	1.3
115.03944	2.6
118.06552	2.5
119.07323	8.6
120.08170	0.4
121.10204	0.5
127.03908	3.7
133.04977	0.7
135.08005	0.6
136.07576	100.0
137.07939	1.2
145.04974	3.1
147.11670	0.5
153.09177	0.4
163.06004	1.2
173.44633	0.4
177.05524	0.6
267.15848	1.2
267.46033	0.5
298.12799	6.0
332.55365	0.4
447.08948	0.9
447.15900	0.8
447.27820	1.2
448.27560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03940	0.3
59.49129	0.3
67.05482	0.3
69.43427	1.3
75.04469	0.6
77.03916	1.4
79.05483	4.2
89.52794	0.3
91.05466	2.4
95.04960	2.4
98.22655	0.5
100.79807	0.3
103.05465	1.0
105.03386	1.6
105.04494	1.3
105.07026	2.7
107.04967	0.6
109.06451	0.3
115.05456	0.7
115.28644	0.3
117.07051	0.9
119.04921	0.8
121.06496	1.1
123.04391	0.8
123.08078	0.5
128.06216	1.2
129.06995	1.5
131.04912	1.9
131.08575	0.6
133.06471	5.4
135.04404	100.0
136.04878	1.4
137.05995	1.5
138.06746	1.0
143.04965	0.5
143.08539	1.8
145.06458	2.2
147.08047	2.2
148.05173	5.0
149.05994	2.3
151.03899	0.8
151.07527	2.9
157.06459	1.7
159.08075	0.7
160.05197	0.5
161.05966	5.3
162.06726	0.3
163.07539	4.6
165.05435	1.0
165.09091	1.1
166.06242	7.5
167.06999	1.3
168.07767	0.4
171.08029	2.0
173.05988	2.0
173.09700	0.4
174.06818	0.5
175.07545	1.7
176.08286	3.1
177.05399	0.5
177.09073	2.0
179.07021	0.8
180.07820	0.5
181.08582	46.9
182.08929	0.8
185.05972	0.4
186.06757	0.8
187.07545	3.6
188.08295	0.7
189.09091	1.9
190.09822	1.5
191.06970	0.5
192.07684	0.5
193.08571	1.9
194.09308	0.3
195.10162	2.7
200.08299	0.4
201.09079	4.4
202.09843	1.4
203.06979	0.5
203.10658	0.9
205.08569	1.6
206.09358	0.6
207.10158	6.3
216.11418	1.1
217.08417	0.4
218.09438	0.4
219.10153	1.1
221.11674	0.8
233.11707	4.4
234.12277	0.3
234.94948	0.3
247.13297	1.5
307.13055	0.3
308.14102	0.4
337.14206	1.0
338.15112	2.3
339.15665	1.1
354.14597	8.4
355.15018	0.4
357.20154	0.4
369.16946	11.4
370.17264	0.5
387.17902	0.9
423.23602	0.3
447.26254	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2482
Annotation	MC-207,110
Peak:m/z	Relative Intensity
55.05508	0.7
57.03432	1.2
57.07072	7.6
67.05508	1.7
67.52241	0.4
69.07067	1.4
69.72316	0.9
70.96349	0.3
71.08631	5.6
81.07056	1.7
83.08627	1.5
85.10168	3.1
95.08603	3.1
97.10159	1.3
98.22760	0.4
98.23313	0.8
109.10162	1.6
123.11718	0.6
134.98183	17.6
176.99268	0.6
189.04758	0.3
194.03203	0.3
209.01848	3.5
239.23744	0.3
242.78958	0.3
249.94830	0.3
282.38480	0.4
313.27353	10.2
313.30890	0.6
335.25815	0.5
353.26596	2.1
415.22281	1.3
429.23895	2.5
447.24817	100.0
448.25150	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01865	1.0
55.05508	6.5
57.03434	8.8
57.07066	1.7
63.51094	0.6
65.03932	1.1
67.05503	23.1
69.07057	5.5
71.04983	1.2
71.08640	0.8
71.23849	0.6
79.05492	15.6
81.07055	21.5
83.08613	4.0
85.06541	0.9
91.05475	9.7
93.07042	24.6
94.98944	0.7
95.04964	1.7
95.08601	19.1
97.10168	2.0
98.98446	2.3
99.08136	0.8
105.07030	8.5
107.08589	13.0
109.10149	8.7
111.08072	1.3
113.00013	100.0
117.06992	1.8
119.08573	8.1
121.10142	11.4
121.11003	1.2
122.36532	0.9
123.11737	3.3
131.08543	5.5
133.10139	6.2
135.11696	8.3
137.00029	1.6
137.09613	1.1
137.13255	0.9
145.10129	5.7
147.11690	3.5
149.09547	0.7
149.13239	5.5
149.94254	0.7
155.01007	1.8
159.11658	4.2
161.13249	3.3
163.14804	4.1
169.02608	61.7
173.13240	4.0
175.14809	1.8
177.16412	1.6
187.03651	9.5
187.14853	2.2
233.22623	1.5
243.21068	7.6
261.22128	19.9
262.22421	1.1
266.94510	0.8
275.23492	0.8
291.23318	0.9
311.25708	1.1
317.24826	4.1
335.25800	32.6
336.26062	2.1
429.24072	3.2
447.24991	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49652	0.6
53.17891	0.7
55.05507	9.3
57.03433	8.0
57.07065	1.8
65.03951	1.1
67.05501	28.8
69.07064	8.3
69.35876	1.6
69.36283	2.3
71.04980	1.2
77.03899	1.0
79.05490	20.1
81.07050	30.6
83.04968	1.1
83.08612	3.6
83.96711	0.7
91.05477	10.2
93.07036	24.2
95.04950	2.0
95.08601	22.2
97.06514	0.9
97.10179	1.2
98.23441	1.7
105.07024	7.9
107.05621	0.6
107.08587	13.5
109.06490	0.7
109.10139	9.3
113.00008	100.0
117.06982	1.9
118.96562	0.8
119.08562	7.7
121.10122	11.7
123.11700	4.3
131.08521	5.8
133.10110	7.1
135.11687	8.0
137.13213	1.8
145.10141	5.1
147.11700	4.7
149.09618	0.8
149.13263	5.0
159.11690	3.7
161.13301	2.6
163.14828	3.6
169.02599	59.6
170.94191	0.7
173.13277	3.1
175.14873	0.9
177.16391	1.5
187.03667	8.9
187.14746	1.8
201.16371	1.4
233.22578	1.1
243.09860	0.7
243.21112	7.6
245.22711	0.8
259.20862	0.7
261.19315	0.8
261.22101	19.1
299.23709	0.9
317.24814	5.3
335.25790	44.4
336.26202	3.2
356.45023	0.7
422.95154	0.9
429.24155	2.5
441.35599	0.9
447.27490	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.68092	0.7
55.05506	8.4
57.03436	8.7
57.07071	1.6
57.92559	0.7
61.47677	0.7
67.05502	31.4
69.07067	8.6
69.31293	2.7
71.04996	1.3
75.04528	0.9
77.03941	0.8
78.45012	0.8
79.05486	20.4
81.06568	1.4
81.07053	30.0
83.08617	3.0
85.06508	0.9
91.05477	9.7
93.07041	21.9
95.04967	1.2
95.08600	24.5
97.06523	1.7
98.98481	1.6
99.11456	0.7
101.79708	0.7
105.07023	8.7
107.08591	13.4
109.10143	9.3
113.00009	100.0
117.07047	2.5
119.08575	6.9
121.10133	9.8
123.11714	6.1
131.08545	5.0
132.08821	0.9
133.10120	6.6
135.11681	8.3
136.99977	1.4
137.13271	2.1
145.10115	4.1
147.11691	3.2
149.13251	5.5
155.01024	1.0
159.11722	3.6
161.13187	4.4
163.14828	3.8
169.02606	48.1
169.38678	0.8
173.13213	3.8
175.14790	1.9
177.16434	1.8
187.03664	8.3
187.14801	2.4
233.22707	1.1
241.66772	0.8
243.21068	7.1
261.22125	19.0
262.22449	1.0
311.25821	1.4
317.24673	4.3
335.25787	51.1
336.26227	4.1
429.24057	2.6
447.25107	1.8
462.31815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2489
Annotation	Artoindonesianin X
Peak:m/z	Relative Intensity
55.05511	0.7
55.35117	0.6
57.03434	0.9
57.07078	4.6
67.05520	1.2
69.07063	1.0
69.50816	1.4
69.51191	1.3
70.06605	1.0
71.08635	2.4
72.40639	0.8
79.56270	0.6
81.07054	2.0
83.08624	0.7
85.10169	1.7
95.08624	1.7
100.45988	0.7
103.08578	0.7
115.75627	0.6
124.07778	0.6
130.08684	0.8
134.98190	12.5
147.27011	0.7
209.01942	2.5
227.36589	0.7
276.08920	0.8
279.16089	0.8
286.06894	0.7
313.27408	7.9
335.26099	0.9
353.26572	1.1
415.21939	0.9
428.55234	0.7
429.23846	1.7
447.24875	100.0
448.25259	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1966
Annotation	Naamidine G
Peak:m/z	Relative Intensity
55.40622	0.4
57.03425	1.3
58.06599	0.8
61.02917	1.1
69.03432	3.8
77.03927	0.4
79.05482	0.6
81.03416	1.4
82.39670	0.3
85.02897	5.6
87.04459	0.7
87.31414	0.3
91.05476	1.5
93.06989	0.5
95.04960	0.9
97.02876	2.3
99.04433	0.6
105.07051	0.9
107.04948	66.4
108.05299	0.7
109.02885	0.6
115.05472	2.5
117.07032	0.9
119.04920	2.6
121.06500	4.7
123.04427	8.3
127.03944	0.6
131.04930	0.9
133.06488	2.4
135.04405	0.8
137.05991	1.3
143.04912	7.5
145.05061	0.7
145.06470	7.7
147.08034	0.6
149.05986	2.3
150.85762	0.4
153.87811	0.4
161.05975	17.0
163.07567	0.6
166.08644	0.9
178.08665	2.1
179.08592	0.8
182.07271	0.5
191.08630	0.6
194.07166	0.5
197.09637	1.6
209.09613	2.1
225.09041	1.2
237.09119	3.3
240.07986	0.7
243.10106	4.4
255.10147	20.1
256.10483	1.0
257.11725	1.6
286.14352	39.4
287.14792	1.4
331.29501	0.5
448.19635	100.0
449.19998	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29425	1.1
52.38041	1.0
53.03954	2.2
55.01868	3.4
55.05513	3.9
57.03431	3.7
59.05001	1.1
61.02936	2.6
65.03950	2.2
67.05512	7.8
67.86105	0.9
68.98283	1.1
69.03429	14.1
69.07078	10.6
70.06596	1.4
71.04996	5.3
73.02927	1.2
77.03925	1.2
79.05492	16.0
81.03418	7.3
81.07068	15.2
83.04986	19.0
85.02909	17.4
85.06549	1.6
87.04466	3.7
91.05479	18.3
93.07050	24.6
95.04976	10.0
95.08609	15.4
97.02895	9.6
97.06534	16.9
99.03903	1.3
99.04450	7.3
105.07037	28.0
107.04964	11.7
107.08600	19.5
109.02881	1.7
109.06518	8.4
109.10176	3.0
111.08090	4.0
115.03953	4.4
117.07038	8.0
119.04931	3.0
119.08588	99.4
120.08953	2.0
121.02862	1.4
121.06516	18.6
121.10135	8.6
123.04485	1.7
123.08076	3.3
123.11727	1.9
125.06001	30.2
125.09606	1.1
127.03963	2.1
128.06261	1.8
129.07060	2.3
130.07790	1.8
131.08572	10.0
133.04984	6.2
133.06497	4.6
133.10147	13.6
135.04449	2.2
135.08076	4.2
135.11690	3.8
137.05986	4.2
137.09602	2.0
139.07523	6.0
141.07057	1.6
143.07050	31.9
143.08546	3.8
144.09398	1.9
145.05017	3.0
145.06502	4.1
145.10132	46.3
146.82298	1.0
147.08041	2.3
147.11696	9.2
149.06076	1.3
149.09636	2.6
150.07684	2.1
151.07547	4.9
151.11201	3.1
155.08531	1.9
157.08667	2.6
157.10159	3.1
158.07288	4.0
159.08076	3.2
159.11694	20.5
161.05902	1.3
161.09727	5.9
161.13264	4.7
163.11189	100.0
164.11568	2.7
167.07111	1.2
169.10143	4.3
171.07988	1.3
171.11740	1.8
172.08829	1.3
173.09636	37.4
173.13266	2.1
174.10048	2.5
175.11206	1.9
177.12759	7.2
179.08557	1.8
179.14421	1.7
181.12238	2.6
187.11189	29.1
187.14799	4.2
188.11592	2.2
189.12787	3.7
191.10667	23.5
193.12303	1.7
194.12558	2.0
197.09619	5.8
201.16463	1.6
203.10750	1.4
205.12236	23.1
205.15881	2.3
205.30481	1.3
209.11751	5.7
215.10698	31.7
215.14050	5.9
227.12842	3.3
233.11734	69.0
233.15219	10.7
234.12003	2.5
237.57071	1.5
251.12791	26.0
251.16716	1.7
268.16486	1.2
269.13763	11.1
271.06046	3.5
282.60062	1.2
287.05527	38.6
300.79163	1.1
309.48019	1.1
448.23093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51780	0.6
53.60843	0.6
55.05506	1.5
57.03432	9.1
59.04995	0.7
61.02911	2.0
69.03420	2.5
69.62205	2.3
71.04987	72.7
73.02908	2.1
75.04459	3.9
81.03410	1.0
83.04976	8.7
85.02899	100.0
87.04455	3.0
91.03934	0.9
91.05480	0.9
97.02881	3.8
98.39516	0.6
99.04452	2.0
103.03932	1.5
105.07009	1.7
107.04987	0.7
109.02864	1.5
111.04433	4.1
120.08040	0.7
127.03916	5.4
129.05467	42.1
130.05780	0.9
133.04950	0.8
133.06543	0.7
145.04930	6.3
146.08119	1.1
147.06512	29.2
161.05978	0.7
163.06015	2.9
163.52827	0.7
164.09171	7.2
207.06624	0.8
233.11685	0.8
237.07542	0.8
255.08702	2.7
273.09741	1.5
285.13391	1.2
309.11740	2.1
448.20862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51432	1.3
53.03934	1.8
55.01870	3.0
55.05511	5.7
57.03421	3.2
59.43340	1.3
59.94676	1.4
61.02906	1.8
61.63784	1.2
65.03922	2.1
66.73145	1.3
67.05493	6.1
69.03432	8.9
69.07070	9.6
71.04991	5.1
71.46982	1.7
79.05487	17.6
81.03417	4.9
81.07063	12.7
83.04984	15.2
83.60650	1.4
85.02904	19.0
85.06570	1.6
86.09705	1.3
87.04468	4.6
91.05478	17.7
93.07045	25.9
95.04956	9.4
95.08599	16.5
97.02888	9.4
97.06543	17.9
99.04427	7.0
103.05469	1.7
105.07034	27.7
107.04935	12.3
107.08588	23.3
109.02831	1.9
109.06520	8.8
109.10159	1.9
111.08089	3.2
112.45232	1.3
115.03923	6.4
117.07005	10.0
119.04967	3.4
119.08577	100.0
120.08915	2.2
121.02894	1.8
121.06505	16.5
121.10130	6.3
123.08051	3.6
123.11724	2.4
125.05992	34.1
125.06900	1.9
127.03886	3.2
130.07785	2.7
131.08600	7.1
133.04967	6.3
133.06499	5.7
133.10149	12.8
135.08092	3.7
135.11668	5.8
137.05966	5.2
137.09602	1.9
139.07565	7.8
141.06995	1.6
143.07045	30.8
143.08241	1.8
143.08464	2.3
145.04898	2.3
145.06450	4.8
145.10121	45.4
146.10416	1.6
147.07985	2.7
147.11722	8.7
150.07607	4.2
151.07588	4.6
151.11139	3.5
155.08504	2.5
157.08656	2.1
157.10030	2.0
158.07266	2.8
159.08012	5.1
159.11693	16.1
161.06000	1.5
161.09618	5.6
161.13257	5.1
163.11179	98.8
164.11511	3.8
169.10103	5.8
171.11653	1.7
173.08173	3.1
173.09605	34.6
173.13222	2.1
177.12735	7.6
181.12244	2.8
185.09587	2.5
187.11179	27.0
187.14777	4.4
189.12726	3.6
191.10661	29.3
197.09634	5.5
203.10655	2.5
205.12241	19.2
205.15909	1.7
209.11722	4.7
215.10645	28.0
215.14252	5.1
221.14999	1.4
227.12813	3.6
233.11732	82.4
233.15160	9.8
234.12051	2.2
251.12787	23.6
251.16693	2.3
268.16977	1.7
269.13882	13.9
287.05536	16.2
297.07498	2.4
298.07877	7.6
299.05493	2.8
328.09027	2.0
338.11075	1.7
352.08847	1.9
366.10483	2.5
377.15625	1.7
382.10159	1.6
394.10278	3.2
412.11002	3.4
430.11435	1.6
432.94067	1.5
448.18225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.4
63.71496	0.2
65.03944	0.4
67.05499	0.4
79.05473	0.7
80.06255	0.5
80.56109	0.3
81.07037	0.3
88.27386	0.3
90.04676	0.3
91.05493	1.7
93.07059	0.6
98.22614	0.5
103.05409	0.3
105.06969	0.4
106.04139	0.4
107.04952	4.6
108.05744	1.8
115.05518	0.3
117.07032	0.4
119.08567	0.3
121.06503	0.9
135.04393	1.4
136.05234	2.1
145.06487	0.4
146.07242	1.1
149.05981	0.4
150.06763	0.6
151.07536	100.0
152.07861	2.3
157.06477	0.4
158.07227	0.5
165.09109	12.5
174.06697	0.5
177.09090	7.7
184.08868	0.7
189.09142	2.4
200.08246	0.6
201.09142	1.6
212.61147	0.3
215.10664	5.0
233.11832	0.6
275.12820	0.4
287.05389	0.5
307.13141	0.4
322.15546	0.9
332.16034	0.5
350.17166	0.8
353.13095	0.5
353.17453	10.4
354.17905	0.7
368.18030	0.4
405.13657	0.3
448.13901	0.7
448.27121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23117	0.5
55.05495	1.8
56.72942	0.5
57.03436	2.9
57.06821	0.8
57.07072	10.4
58.07392	2.6
59.92735	0.6
60.20110	0.5
60.26079	0.6
67.05509	2.8
67.30480	0.5
69.07060	2.2
69.31911	2.8
70.07381	0.7
71.08630	7.1
72.08942	1.8
79.05486	0.6
79.64361	0.6
81.07050	2.5
82.07395	1.4
83.08611	2.5
84.08930	1.1
85.10180	2.7
86.10506	1.2
93.07000	0.7
95.08598	3.1
96.08916	1.1
96.63011	0.6
97.10210	1.1
98.23401	1.4
109.10139	1.6
110.10477	0.8
113.00019	2.6
119.08530	0.6
134.98178	30.5
135.98518	2.0
169.02606	2.1
209.01837	2.0
287.05475	1.2
290.47531	0.6
313.27490	1.1
314.27670	16.5
336.25961	0.8
337.27560	1.0
354.26901	1.1
416.22250	2.0
430.23990	2.1
448.25107	100.0
449.25339	5.1
460.85858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.5
55.01868	4.9
55.05508	7.5
57.07072	14.3
61.02919	7.1
67.05498	15.8
69.03429	14.0
69.07086	11.6
70.59023	6.3
73.02917	17.4
74.48434	3.2
79.05486	23.0
81.03401	3.7
81.07052	65.0
81.07505	5.3
83.04991	9.3
85.02901	37.2
86.09730	3.3
91.03973	4.1
91.05482	19.5
93.07043	45.2
95.04981	7.5
95.08614	59.9
97.02888	12.0
97.06547	11.3
99.04448	6.2
105.07021	40.9
107.04949	3.5
107.08582	41.3
109.06535	9.1
109.10173	7.9
111.08075	5.9
113.05992	4.0
115.03928	5.3
117.07027	7.6
117.68769	3.7
119.08578	23.7
121.02842	3.6
121.06540	9.6
121.10147	66.6
123.08107	3.5
123.11699	16.0
125.05960	8.2
127.03932	15.2
130.83894	3.2
131.08548	15.6
133.10139	15.9
135.08084	4.7
135.11697	4.9
136.65138	3.2
137.06004	4.9
137.13251	67.8
138.13545	3.5
139.07564	4.6
140.14096	3.9
140.52811	3.3
140.89987	3.0
143.07019	10.0
145.04979	30.5
145.10112	35.2
147.11703	13.8
151.07552	3.4
153.01793	7.8
157.10123	9.8
159.11697	29.6
161.13206	4.0
162.59201	3.8
163.06064	10.2
163.11147	22.0
173.09641	14.1
177.09160	6.4
177.12633	3.3
187.11235	7.9
187.14758	29.5
191.10680	6.8
197.13254	4.1
202.80399	3.7
205.12222	6.3
215.10698	9.8
215.14275	15.3
231.06508	5.0
233.11832	24.5
233.15317	44.9
238.60448	3.3
251.12860	12.7
251.16484	7.8
259.08173	3.4
269.13956	5.7
271.05869	3.8
276.91867	4.0
281.02353	3.5
285.03989	5.2
287.05539	31.2
297.07391	3.9
298.07965	11.1
299.05313	4.8
302.04187	11.7
303.05002	3.7
317.06543	100.0
328.09076	4.2
352.09338	4.1
394.09937	4.4
412.11423	3.6
448.28653	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05504	3.4
55.67579	1.5
56.92295	1.4
57.03430	3.1
61.02926	1.9
61.34265	1.3
67.05495	7.0
69.03425	4.0
69.07064	14.2
70.04208	4.3
71.04987	7.5
73.02921	1.7
75.04478	5.4
79.05482	7.9
81.03398	1.7
81.07057	9.9
83.06123	1.4
83.08625	1.6
85.02915	12.0
91.05451	9.3
93.07035	15.9
95.04942	3.6
95.08617	8.6
97.02903	2.6
97.06533	2.6
105.07037	10.7
107.08590	100.0
108.08919	2.5
109.06514	3.3
109.10165	5.6
111.08066	3.0
118.25006	1.6
119.08564	7.1
121.10165	8.3
125.05999	2.1
125.09634	1.7
127.03928	3.7
131.08548	1.8
133.10143	5.1
135.11699	34.1
137.09599	2.6
137.13286	1.4
139.07555	2.1
145.04944	4.0
145.10129	4.7
147.11693	3.5
149.13263	4.8
151.07542	1.7
153.12737	4.3
157.10124	4.2
158.15585	1.5
159.11708	3.9
163.11174	10.2
165.12721	2.9
173.09668	1.4
181.12224	19.5
183.10117	2.1
233.15285	4.2
249.40855	1.4
251.16457	2.8
271.13135	1.9
287.05460	5.8
289.14343	3.5
307.15381	3.2
309.20685	1.5
325.16779	2.2
435.76865	1.6
449.13898	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.5
55.01868	4.9
55.05508	7.5
57.07072	14.3
61.02919	7.1
67.05498	15.8
69.03429	14.0
69.07086	11.6
70.59023	6.3
73.02917	17.4
74.48434	3.2
79.05486	23.0
81.03401	3.7
81.07052	65.0
81.07505	5.3
83.04991	9.3
85.02901	37.2
86.09730	3.3
91.03973	4.1
91.05482	19.5
93.07043	45.2
95.04981	7.5
95.08614	59.9
97.02888	12.0
97.06547	11.3
99.04448	6.2
105.07021	40.9
107.04949	3.5
107.08582	41.3
109.06535	9.1
109.10173	7.9
111.08075	5.9
113.05992	4.0
115.03928	5.3
117.07027	7.6
117.68769	3.7
119.08578	23.7
121.02842	3.6
121.06540	9.6
121.10147	66.6
123.08107	3.5
123.11699	16.0
125.05960	8.2
127.03932	15.2
130.83894	3.2
131.08548	15.6
133.10139	15.9
135.08084	4.7
135.11697	4.9
136.65138	3.2
137.06004	4.9
137.13251	67.8
138.13545	3.5
139.07564	4.6
140.14096	3.9
140.52811	3.3
140.89987	3.0
143.07019	10.0
145.04979	30.5
145.10112	35.2
147.11703	13.8
151.07552	3.4
153.01793	7.8
157.10123	9.8
159.11697	29.6
161.13206	4.0
162.59201	3.8
163.06064	10.2
163.11147	22.0
173.09641	14.1
177.09160	6.4
177.12633	3.3
187.11235	7.9
187.14758	29.5
191.10680	6.8
197.13254	4.1
202.80399	3.7
205.12222	6.3
215.10698	9.8
215.14275	15.3
231.06508	5.0
233.11832	24.5
233.15317	44.9
238.60448	3.3
251.12860	12.7
251.16484	7.8
259.08173	3.4
269.13956	5.7
271.05869	3.8
276.91867	4.0
281.02353	3.5
285.03989	5.2
287.05539	31.2
297.07391	3.9
298.07965	11.1
299.05313	4.8
302.04187	11.7
303.05002	3.7
317.06543	100.0
328.09076	4.2
352.09338	4.1
394.09937	4.4
412.11423	3.6
448.28653	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.34968	0.2
67.05497	0.3
69.07039	0.2
85.08700	0.2
91.23843	0.2
93.07098	0.2
106.06541	0.2
107.07386	0.5
117.05731	0.2
118.06541	2.9
120.08154	0.3
120.91354	0.2
130.06494	1.1
131.07356	0.7
132.08076	2.1
133.08832	0.3
144.08115	0.6
146.09663	3.5
156.06351	0.4
158.09718	0.4
160.11285	0.6
162.09143	5.6
172.11273	0.3
174.09160	0.5
176.10709	4.3
177.11446	1.0
190.12279	8.4
202.15887	0.2
204.13846	1.4
216.17624	0.4
218.15448	0.5
228.17433	0.4
230.15509	0.4
232.17065	0.6
246.18602	0.7
256.17065	0.7
258.18692	0.4
260.16333	0.2
260.20306	0.2
274.18027	0.5
286.17981	0.2
304.19208	0.7
318.20819	0.6
324.27051	0.6
340.26343	1.8
358.27625	0.3
368.25864	4.9
369.26373	0.3
386.26880	3.2
389.15945	0.9
404.27863	0.5
430.29730	0.7
448.30740	100.0
449.31186	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
57.07073	0.5
60.57977	0.2
62.73385	0.2
67.05502	3.4
68.05029	0.5
69.07067	0.8
69.74409	0.8
70.06590	100.0
71.06911	0.9
71.08622	0.3
79.05515	1.0
81.07057	3.1
83.08620	0.6
89.13417	0.2
91.05476	1.1
93.07043	0.9
95.04954	0.2
95.08605	2.2
97.06528	0.4
97.10181	0.4
105.07024	0.5
107.08580	0.6
109.10154	0.8
119.08594	0.6
121.10159	0.7
123.11701	0.3
128.07077	0.7
130.08635	54.1
131.09009	0.8
133.10133	0.5
135.11711	0.3
138.15523	0.2
165.91609	0.2
177.47145	0.2
211.04343	0.2
301.20667	0.2
301.28888	0.5
341.52042	0.2
342.88129	0.2
388.35718	2.1
416.35141	0.2
448.37848	13.6
449.38031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.07074	1.0
66.71329	0.3
67.05503	4.4
68.05042	0.5
69.07058	1.8
69.77356	0.8
69.77710	0.6
70.06589	100.0
71.06931	0.9
71.08636	0.7
78.59708	0.3
79.05485	1.2
81.07054	5.0
83.08613	1.5
91.05477	1.3
93.07039	1.0
95.08610	3.5
97.06520	0.6
97.10175	1.1
98.22913	1.1
105.07023	0.6
107.08556	0.8
109.10160	2.3
109.10767	0.4
111.11618	0.4
113.00045	0.3
119.08536	0.7
121.10142	1.0
123.11691	0.9
128.07065	3.4
130.08635	79.7
131.08974	1.2
133.10121	1.0
147.11653	0.4
160.55948	0.3
161.13293	0.6
165.09140	0.8
175.14839	0.5
189.16444	0.4
301.28906	1.5
319.29941	0.6
385.34763	0.4
388.35712	5.3
414.68188	0.4
416.35132	0.9
448.37836	61.6
449.38141	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
57.03430	2.0
68.99809	2.0
69.69867	2.3
69.70196	1.7
70.06589	2.2
71.04992	2.8
81.03398	2.0
85.02904	4.1
86.09714	1.2
91.05486	1.9
95.04995	1.4
97.02892	1.1
98.23382	1.7
108.18026	0.8
109.02879	2.4
109.45064	1.0
117.03355	1.1
118.08646	1.1
120.08089	1.5
121.02859	2.6
125.09679	1.3
135.04446	4.1
137.01424	0.9
137.02324	5.9
141.01846	2.3
147.04396	3.4
148.04741	1.6
149.02356	1.9
161.02371	3.5
163.03888	3.2
165.01834	14.8
167.03418	3.7
177.01834	2.5
177.05444	1.5
179.03287	1.2
181.04929	1.4
183.02911	4.0
187.03882	1.9
191.03380	1.3
195.02849	1.6
199.65565	1.0
203.53349	1.1
245.04654	1.3
255.06502	1.2
283.05988	6.7
286.04730	3.8
287.05490	11.5
297.07513	6.5
299.05490	100.0
300.06146	13.6
303.04980	8.7
311.05508	11.0
311.08817	1.4
313.07114	2.7
321.07559	2.4
323.05475	2.0
324.06320	1.7
325.03442	2.1
325.06992	22.4
326.07401	2.1
329.06540	66.3
330.06973	1.5
337.07059	3.0
339.08655	13.6
349.07016	4.0
353.06528	35.0
354.06870	1.6
359.53372	1.0
365.06543	10.2
377.06567	6.8
381.60980	1.2
383.07620	21.9
384.07813	1.0
388.13705	2.1
395.07498	16.4
413.08725	18.6
431.09744	13.2
432.10538	1.2
449.10748	8.0
449.16489	1.3
449.19931	2.0
474.11212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03953	0.2
54.19648	0.2
57.03422	0.6
60.16477	0.2
61.02927	6.1
65.03939	0.4
68.99806	0.5
69.03440	1.4
70.06596	0.3
70.70254	0.3
71.04977	0.2
73.02911	1.8
77.71992	0.2
79.05484	0.3
81.03413	0.6
81.07024	0.2
84.08169	0.2
85.02902	6.2
91.03960	3.2
95.05013	0.2
97.02889	3.1
99.04449	0.3
105.03391	0.3
107.04953	0.6
109.02859	0.4
111.00787	0.6
111.04491	0.3
115.03937	0.4
117.88117	0.2
121.02866	3.3
121.06535	0.2
127.03890	0.9
129.62553	0.2
133.02852	0.3
135.08098	0.2
136.07539	0.3
137.02321	1.0
145.04956	0.9
145.06436	0.2
147.04382	0.5
149.87959	0.2
153.01833	4.2
153.15646	0.2
157.06456	0.6
161.05925	0.3
165.01854	2.0
171.04457	0.3
177.05486	0.3
183.02934	1.2
185.05960	0.6
189.33859	0.2
213.05382	1.7
224.24861	0.2
229.05037	0.2
231.06592	0.9
241.04919	1.0
258.05276	1.2
259.06039	0.4
269.04550	0.3
280.30890	0.2
286.04712	0.3
287.05493	100.0
288.05832	4.9
299.05518	2.0
300.06284	0.4
303.04935	0.5
311.05685	0.3
313.07108	0.3
325.07050	0.4
329.06549	1.5
329.10263	0.3
339.08710	0.3
353.06549	1.0
367.08362	0.2
383.07675	0.4
413.08569	0.4
431.09686	0.5
449.10565	0.6
449.19781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01878	0.3
57.03427	0.7
61.02925	7.1
62.11837	0.1
65.03947	0.1
68.99766	0.6
69.03431	1.2
69.85574	0.3
71.04985	0.2
73.02540	0.2
73.02918	2.0
79.05499	0.2
81.03414	0.5
81.07066	0.1
85.02903	6.1
91.03954	3.6
91.05481	0.2
92.04304	0.1
93.07039	0.1
95.04978	0.2
97.02891	3.4
97.06512	0.5
99.04440	0.3
101.02345	0.1
105.01865	0.1
105.03393	0.3
105.07056	0.1
107.04938	0.3
109.02859	0.6
111.00804	0.9
111.04491	0.1
115.03924	0.3
121.02861	3.1
125.35684	0.1
127.03897	1.1
128.00114	0.1
129.07140	0.1
129.87363	0.1
131.08595	0.1
133.02841	0.5
135.04384	0.1
137.02353	0.9
141.07007	0.2
145.04944	0.8
145.06516	0.3
147.04391	0.4
153.01817	4.6
153.03062	0.2
157.06491	0.5
161.05998	0.1
165.01840	2.0
171.04424	0.3
174.20485	0.1
183.02892	0.9
185.05963	0.6
195.13751	0.1
197.05934	0.1
199.03883	0.2
203.03300	0.2
203.07069	0.1
213.05443	1.5
217.04984	0.2
229.04875	0.2
231.06592	0.8
241.04919	1.0
243.06468	0.2
258.05264	1.3
259.05981	0.4
269.04239	0.2
287.05481	100.0
288.02637	0.2
288.05835	4.5
299.05475	0.2
329.06244	0.1
340.29532	0.1
353.06354	0.1
449.18472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.2
55.35591	0.1
57.03429	0.4
61.02635	0.2
61.02926	3.8
67.01852	0.2
68.99794	0.4
69.03416	0.7
69.51315	0.4
73.02910	1.0
79.05479	0.2
81.03407	0.3
81.72232	0.2
85.02903	3.5
86.09745	0.2
91.03954	2.1
97.02896	1.9
99.04465	0.2
107.04944	0.4
109.02872	0.3
111.00777	0.4
115.03940	0.2
121.02853	1.7
127.03934	0.5
133.02859	0.3
135.04393	0.8
137.02336	0.5
137.06018	0.2
139.03764	0.1
145.04929	0.5
145.06480	0.2
147.04361	0.4
147.92636	0.1
153.01813	4.2
154.02180	0.1
157.06453	0.2
161.05983	0.2
165.01874	1.0
171.02817	0.2
174.09155	0.3
175.03902	0.1
183.02876	0.7
184.07507	0.2
185.05994	0.3
197.06071	0.2
213.05457	0.9
219.06543	0.2
231.06520	0.4
241.04977	0.9
258.05322	0.7
259.06064	0.3
269.04425	0.3
287.05481	100.0
288.05807	4.1
299.05511	0.3
431.21921	0.2
449.10681	0.4
449.18164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1427
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
55.22676	0.9
69.03440	2.4
69.82061	3.3
70.06586	4.0
72.08170	1.7
72.37877	0.8
75.07594	0.9
78.84592	1.1
85.02917	2.0
97.02924	1.3
107.04964	16.8
108.05299	5.2
109.02879	1.0
116.07038	1.1
119.05024	0.9
123.04443	2.0
124.04827	1.1
130.31415	0.9
137.05983	1.5
143.04959	1.4
145.06503	1.4
146.06860	1.3
161.06039	3.2
162.06273	2.5
166.65829	0.9
167.07062	5.4
177.05385	1.2
244.10510	1.1
255.10104	3.0
256.10550	3.5
260.12427	1.8
286.14377	3.4
287.05624	5.1
287.14694	9.0
448.19821	2.0
449.14151	100.0
449.20010	33.4
450.14917	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2168
Annotation	CHEBI:67684
Peak:m/z	Relative Intensity
51.02385	0.3
53.03941	0.2
53.63554	0.2
55.01865	0.3
55.05515	0.2
65.03937	0.6
66.04717	0.2
67.05498	0.5
69.03414	0.4
69.69746	0.4
73.06194	0.2
77.03922	0.4
78.04708	1.7
79.05029	0.4
79.05485	3.8
80.06275	0.6
81.07044	0.7
90.04704	0.6
91.05469	4.2
92.05779	0.3
92.06328	0.2
92.06949	0.2
93.07034	0.5
94.04180	0.3
95.04959	1.5
95.08614	0.4
97.06544	0.3
103.05460	6.5
105.03381	0.5
105.04504	0.5
105.07028	2.3
106.04175	1.9
107.04949	13.2
107.08572	0.2
108.05760	3.1
109.06533	1.3
115.05449	1.9
117.07037	1.5
118.04175	0.5
119.04955	0.5
119.06033	0.2
119.08560	0.6
120.05739	0.3
121.06503	2.8
122.03658	0.6
123.04429	4.2
123.08079	1.0
124.05202	2.1
125.05978	0.6
128.06247	0.2
129.06984	0.7
131.04919	10.0
131.08582	0.5
132.05681	0.5
133.06493	1.5
134.03635	0.7
134.07123	0.2
135.04396	2.6
135.08069	2.3
136.05203	3.2
137.05981	5.2
138.06549	0.3
139.07526	0.2
141.07001	0.6
143.04890	0.6
143.08553	0.4
144.05672	0.5
145.06483	2.4
145.10126	0.3
146.07269	5.4
147.04411	0.6
147.08047	2.1
148.05157	0.3
149.06000	1.6
149.09535	0.4
150.06754	2.9
151.07532	100.0
152.04659	1.4
152.07852	2.8
153.05443	1.6
153.08578	0.2
155.06085	0.2
155.08530	0.3
157.06496	0.8
158.07256	1.4
159.08037	1.3
160.05183	0.4
160.08838	0.7
160.89883	0.2
161.05984	1.9
161.09673	0.4
162.06700	0.8
163.07533	21.6
164.08073	0.7
165.05461	0.3
165.09113	8.7
166.06192	0.2
166.09505	0.2
167.07025	59.6
168.07518	2.3
169.06529	0.3
169.08102	0.7
171.08032	0.4
172.05157	0.2
172.08862	0.9
173.05940	0.9
173.09587	0.8
174.06711	1.1
174.10310	0.2
175.07533	1.9
176.08311	1.1
177.09100	27.5
178.09474	0.7
179.07056	0.5
179.10675	1.4
181.08528	1.0
184.08932	0.2
184.60400	0.2
186.10425	0.9
187.07504	1.7
188.08336	1.7
189.09077	4.4
190.09819	0.4
191.10651	2.4
192.07800	0.3
193.08588	2.2
201.09090	3.8
202.09868	1.3
203.10663	2.5
204.07764	0.2
205.08592	0.4
205.12163	0.4
207.10153	0.5
215.10616	0.4
217.10272	0.4
217.12219	3.7
218.09192	0.2
218.12561	0.3
219.10152	1.6
221.11668	0.7
233.09615	0.3
233.11699	2.0
237.11099	0.2
247.11197	0.3
248.11934	0.3
251.12857	0.2
261.09021	0.5
263.10608	0.3
264.11365	0.2
275.10544	0.5
276.11493	0.4
277.08609	0.3
277.12347	0.2
279.13782	0.6
287.05316	0.3
292.10947	0.2
293.11606	0.4
307.13232	2.1
308.14001	1.4
309.14642	0.2
324.13583	0.3
339.15878	7.3
340.16406	0.4
356.16156	2.2
371.14011	0.3
371.18478	5.2
372.18771	0.3
389.19778	1.0
447.18036	0.2
448.30270	0.7
449.21039	0.5
449.30942	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49836	0.6
59.34733	0.6
69.55018	1.4
79.05500	0.6
81.07047	1.0
98.23508	0.8
123.11697	0.7
167.08568	2.2
182.91124	0.6
188.52588	0.5
207.07977	0.9
208.08665	0.8
218.07253	0.7
219.08110	3.0
220.08824	0.9
233.05933	0.9
234.06799	1.2
234.78876	0.6
235.07564	3.3
236.08339	2.3
237.09218	1.6
239.10947	0.6
245.05818	0.9
246.06767	2.0
247.07468	4.8
248.08299	5.7
248.10226	0.5
249.05415	2.0
249.09035	1.7
250.06267	1.8
251.10779	3.5
259.09869	0.7
260.08405	1.2
261.05481	0.7
262.06186	0.7
263.07040	6.6
263.10522	1.1
264.07819	6.0
265.08569	4.0
275.07010	37.2
276.07654	5.9
277.05612	1.0
277.08539	6.1
278.05896	1.3
278.09335	1.8
279.10095	11.2
291.06494	3.6
291.10187	2.9
292.07245	6.1
293.08136	5.5
303.06451	4.0
304.07278	1.3
305.08066	1.5
306.08850	1.0
307.09613	28.1
308.10178	1.8
309.11188	15.6
320.06711	0.9
323.09094	2.4
335.09100	42.4
336.09470	1.9
352.09378	8.4
353.10156	59.9
354.10541	3.4
433.05869	100.0
434.06085	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
69.03416	0.7
69.86188	0.8
70.06580	0.4
74.09716	13.1
85.02885	0.4
96.07879	0.4
97.02886	0.5
98.97601	0.4
107.04967	1.4
108.05302	0.4
114.08914	2.8
115.03901	0.5
116.98575	0.3
117.03391	0.4
140.06819	100.0
141.07156	1.2
145.02812	0.7
145.06458	0.4
167.07037	0.3
177.05484	1.1
264.40289	0.3
286.14484	0.3
288.15063	0.5
295.06543	0.4
391.54602	0.3
406.69171	0.3
450.20245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
55.01875	2.8
57.03439	11.8
59.05000	1.6
61.02932	8.8
65.03921	2.4
69.03434	40.8
70.06602	2.9
71.00131	1.4
71.05003	1.6
72.08170	1.5
73.02920	5.2
76.57894	1.6
78.65338	1.6
81.03415	6.8
85.02908	84.0
86.09717	2.5
87.04469	23.4
91.03963	4.3
91.05483	100.0
92.05804	2.0
97.02262	3.4
97.02894	62.9
97.74289	1.4
99.04465	3.7
101.02357	1.6
105.07013	1.8
109.02892	4.1
110.06071	1.4
115.03113	2.6
115.03937	46.8
117.07043	3.1
121.06510	12.9
127.03925	17.4
133.04977	44.0
133.06485	3.0
140.06854	4.7
145.04985	42.1
145.06503	16.5
150.07626	8.0
151.07597	2.6
157.06552	1.8
159.08063	1.8
161.04489	1.8
163.06046	11.5
163.07565	12.8
171.08073	2.8
175.07507	7.7
177.05681	2.0
177.07849	4.9
178.08240	3.4
181.08591	2.3
187.07590	3.5
189.09103	1.7
192.10191	30.4
192.11803	2.3
193.10562	22.4
193.12180	2.1
205.08632	4.8
217.08600	13.9
229.08580	2.0
235.09697	5.0
253.10750	3.7
287.05316	2.3
288.05823	3.7
288.14120	1.7
289.10822	9.2
295.10101	1.6
391.83133	1.5
432.99316	1.6
450.17688	15.1
450.23016	1.7
451.15982	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	2.5
69.03420	4.4
70.70452	2.6
71.65138	1.4
72.07719	1.4
79.05486	2.1
81.07071	3.4
84.01813	1.4
84.08142	1.5
91.05486	3.0
92.42818	1.4
93.07058	1.9
95.08615	3.9
105.07034	4.7
107.04943	2.3
107.08582	1.7
115.05507	1.9
119.08543	2.8
128.06218	2.2
129.07010	5.9
131.04875	1.8
131.08528	8.9
133.06459	2.6
137.06017	2.2
141.06993	3.3
143.08524	2.4
144.05685	2.5
145.06490	2.8
146.07227	2.4
151.07564	5.9
153.05476	10.6
153.06653	1.5
157.06517	5.0
159.08041	10.5
161.05957	2.4
161.09636	2.4
170.07256	2.2
171.08113	1.8
173.06032	2.5
181.08624	7.2
187.07483	8.9
188.08319	4.3
189.09111	5.0
193.08638	2.1
199.07474	1.7
203.07040	2.6
203.10725	4.6
204.07852	6.1
215.10635	2.6
216.07895	1.7
221.11447	1.9
231.10260	3.1
233.11736	13.3
249.11211	100.0
250.11542	1.8
251.81204	1.5
355.15710	1.7
418.34909	1.4
449.31235	9.1
450.31952	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01864	5.3
55.05516	10.1
57.03429	2.9
57.07076	3.1
58.69305	1.8
67.05500	13.0
69.03429	19.7
69.07070	14.9
70.06574	3.0
71.04992	15.3
73.02905	2.3
73.06538	3.7
79.05492	14.7
81.03425	10.1
81.07053	14.9
83.08617	7.9
84.08127	3.5
85.02901	35.3
87.00828	20.2
87.04466	9.0
91.05483	6.6
93.07034	22.1
95.05026	2.8
95.08610	32.7
96.42336	1.8
97.02888	18.2
97.06518	48.9
98.06091	1.9
99.04446	7.9
105.01856	21.2
105.07025	6.6
106.17996	1.9
107.04955	2.9
107.07413	2.1
107.08579	26.7
109.02887	8.1
109.10161	13.5
119.08601	5.2
121.10153	14.0
123.11704	4.8
127.03909	27.2
131.08559	3.3
132.08012	2.7
133.10104	4.4
135.04402	3.7
137.05966	3.6
145.04919	10.8
147.11754	2.2
149.13251	48.9
149.14433	2.5
150.13554	2.1
151.07556	2.5
159.02866	3.5
161.02327	8.5
163.03883	20.3
165.12766	4.7
167.14310	100.0
168.14644	2.9
173.02312	15.5
184.07545	2.0
215.07014	23.9
231.04868	3.4
249.06026	4.0
259.09653	60.3
272.20074	3.0
288.05997	2.7
328.22659	5.2
346.10693	3.1
346.23828	10.5
364.24872	6.8
414.49640	2.5
450.11627	4.8
450.28348	54.4
451.28711	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03434	3.2
67.05507	11.3
69.03435	11.6
69.07066	15.1
69.11290	5.9
69.11692	11.9
71.04971	14.5
73.06580	2.7
79.05489	12.4
81.03431	8.2
81.07050	16.1
83.08620	5.1
85.02901	33.4
85.06593	4.1
87.00827	15.4
88.05872	2.7
91.05476	7.8
93.07061	17.8
95.04970	3.4
95.08604	32.3
96.40363	2.5
97.02902	13.6
97.06541	23.0
98.23530	4.5
105.01864	13.4
105.07032	6.1
107.04904	2.8
107.08611	18.7
109.02885	7.5
109.06560	3.1
109.10163	10.4
111.04445	4.3
115.64888	2.5
119.08580	7.2
121.10155	12.8
123.11755	5.7
125.63787	2.2
127.03921	13.1
131.08566	4.1
133.10135	4.6
135.04446	2.8
145.02846	3.6
145.04933	6.0
145.10049	2.9
149.13239	29.8
151.07620	4.3
159.03046	2.6
159.11716	3.3
163.03911	13.9
166.78529	2.2
167.07051	4.4
167.14316	100.0
168.14688	3.5
173.02354	9.5
179.14339	4.0
180.70248	2.3
208.29446	2.6
215.07098	7.4
248.08498	2.6
257.15579	2.6
259.09634	25.9
263.07043	3.1
275.07135	8.4
276.07465	3.1
288.05820	4.0
307.09723	8.7
309.11179	4.4
335.09180	11.1
353.10156	14.0
354.10281	3.0
379.17328	2.9
433.05872	28.0
450.21823	4.4
450.28696	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.0
55.01861	5.5
55.05518	4.9
57.03432	2.3
59.97585	1.6
66.97667	1.6
67.05508	7.2
69.03432	14.0
69.07069	14.2
71.04991	11.4
79.05486	8.0
81.03408	10.1
81.07047	10.8
83.08617	3.7
85.02409	2.4
85.02904	31.0
87.00823	16.8
87.04455	11.4
91.05483	6.4
93.07059	16.2
95.04988	3.8
95.08610	18.2
97.02896	18.1
97.06537	24.7
99.04427	4.7
105.01871	18.9
105.07033	6.2
107.07360	3.1
107.08586	17.1
109.02857	9.7
109.10159	9.6
110.07121	1.9
117.06956	2.0
119.08571	4.3
120.08092	3.6
121.10145	16.3
123.11732	5.4
127.03900	21.0
129.01724	1.7
129.06961	2.1
135.04373	1.9
145.04945	12.2
147.11720	2.0
149.13255	44.3
151.07524	2.3
159.02910	4.4
159.11703	2.4
161.02402	5.7
163.03886	11.3
165.12727	4.1
167.14317	65.7
168.14835	2.5
169.10028	1.7
173.02394	9.2
191.19342	2.2
201.05489	2.0
215.07002	12.8
224.28728	2.2
231.05037	5.5
248.08965	2.2
259.09650	34.8
288.05841	2.5
290.73962	2.2
300.23279	2.3
328.22650	10.8
346.10654	1.9
346.23749	17.2
364.24936	11.3
369.27643	2.5
432.10437	2.6
450.11746	3.6
450.28497	100.0
451.28830	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.07072	0.6
64.04180	0.2
64.39444	0.2
67.05496	1.0
67.54524	0.2
68.05024	0.4
69.07072	1.1
70.06586	100.0
71.06920	0.9
79.05477	1.1
81.07060	1.2
83.08623	0.9
85.10200	0.3
93.07043	1.0
95.08606	0.6
97.06528	0.3
97.10158	0.3
107.08581	0.7
109.10123	0.4
121.10150	1.0
128.07118	0.2
130.08629	61.2
131.08994	0.8
135.11681	0.7
172.77269	0.2
185.13780	0.2
298.69489	0.2
390.37399	1.0
418.36560	0.3
450.39392	17.5
451.39853	1.0
478.91855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28258	0.9
55.05508	15.4
56.31004	0.9
57.03429	8.4
57.07071	6.3
67.05501	11.6
69.07063	18.0
69.11549	6.3
69.12251	1.0
71.08633	2.0
79.05491	4.7
81.07047	12.3
83.04986	1.2
83.08613	11.0
85.06573	1.1
85.10181	1.7
89.06047	1.3
93.07022	5.3
95.08595	11.0
97.06541	1.5
97.10170	8.3
107.08572	4.0
109.10151	5.5
110.21972	1.1
111.11716	1.8
113.00011	84.6
121.10098	5.6
123.11652	1.4
123.85740	1.3
135.11685	4.3
149.13205	2.3
169.02602	100.0
187.03680	3.0
265.25305	3.2
289.93231	1.2
339.28900	70.9
401.36426	1.1
433.27127	3.2
451.30518	2.1
472.95285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33237	0.9
53.03945	1.0
55.05510	18.7
57.03425	10.8
57.07073	7.9
67.05494	14.6
69.06709	1.9
69.07064	26.2
69.71381	3.8
69.71707	0.8
71.04977	1.3
71.08616	3.3
79.05503	5.7
81.07052	14.0
81.80545	0.9
83.04958	1.0
83.08611	16.7
85.10147	1.2
91.05497	1.3
93.07037	8.9
95.08598	15.0
97.06488	1.6
97.10161	7.9
98.23540	1.2
107.08603	4.8
109.10142	6.0
109.79375	0.9
111.08132	1.8
111.11687	2.2
112.30524	1.0
113.00009	100.0
121.10134	8.2
123.11729	1.2
135.11630	4.9
139.11159	1.4
149.13269	2.4
169.02602	98.0
187.03665	2.3
235.86911	1.1
247.24335	1.2
265.25220	2.8
339.28906	46.5
340.29367	2.3
396.06665	1.0
433.27139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05255	1.0
55.05506	11.1
57.03428	6.1
57.07061	4.2
67.05499	8.0
69.07065	16.2
69.11630	4.7
70.27340	0.7
71.08637	1.4
77.23170	0.9
79.05489	3.8
81.07056	7.9
83.08614	10.4
93.07034	4.1
93.29446	0.8
95.08600	10.0
97.06501	1.3
97.10167	5.9
100.34787	0.7
107.08573	2.7
109.10149	4.3
111.11707	1.2
113.00007	89.0
121.10130	4.5
123.11659	1.2
131.01042	1.0
134.86803	0.7
135.11662	3.0
149.13264	1.4
151.14786	0.8
154.02634	1.1
169.02599	100.0
187.03603	2.4
198.04305	0.9
265.25259	3.3
294.03873	0.9
339.28909	38.3
340.29352	1.1
433.27094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42776	1.6
55.01871	3.7
56.96574	1.6
57.03442	24.6
59.05003	4.0
59.66479	1.5
60.04519	2.7
61.02949	3.9
69.03432	80.6
70.93341	2.3
73.02925	7.4
75.04483	3.2
81.03418	6.2
83.00513	1.8
85.02911	61.2
85.03417	3.6
85.66966	1.5
87.04469	65.6
87.27104	1.8
91.03957	2.7
97.02893	66.9
103.03958	2.2
107.04985	2.4
109.02882	42.4
115.03937	87.9
123.04465	8.8
127.03947	8.4
133.02855	16.7
133.04968	100.0
137.06003	5.6
141.05466	44.5
141.06593	2.0
145.04965	11.5
147.04399	4.1
150.07625	20.7
151.03932	3.1
153.05533	2.0
163.06058	2.2
165.05493	35.2
177.05486	14.5
179.07072	2.1
183.06577	9.1
189.05482	1.7
190.06473	1.7
191.07007	2.6
207.06563	7.7
219.06528	15.6
237.05380	2.7
237.07600	22.4
240.05515	1.6
241.07114	3.6
249.07588	2.2
255.01746	2.1
259.08069	4.4
264.15372	1.8
267.08743	6.0
273.03000	1.8
295.10339	2.3
357.92044	1.7
359.99329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01869	1.6
56.96557	0.7
57.03442	4.4
59.05009	0.6
61.02927	8.8
69.03062	1.0
69.03427	15.9
71.04994	1.7
71.20457	0.6
73.02919	4.2
76.70847	0.5
81.03424	7.0
83.01335	0.8
85.02902	100.0
86.03241	1.3
87.04475	2.0
91.03964	6.6
97.02891	26.5
98.97598	1.3
99.04449	4.4
103.03922	0.9
109.02879	7.3
112.23319	0.5
115.03932	0.9
116.98634	0.6
127.03917	27.2
140.04134	0.5
145.04953	55.7
159.04468	0.9
163.06017	19.7
177.00987	0.6
177.05476	2.4
180.08684	1.9
216.98695	2.4
219.01913	0.7
228.98602	1.0
234.99866	1.4
235.04425	0.7
252.98642	0.6
259.00043	1.4
270.99866	0.7
282.99976	1.1
289.09164	0.6
301.00867	1.4
325.11307	1.5
328.05588	1.0
351.02271	0.6
411.05151	0.6
429.00659	0.5
453.05246	0.7
471.06451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37480	0.4
55.01862	0.8
62.60406	0.5
67.05486	0.8
68.67611	0.5
69.03391	0.5
70.77626	0.9
71.69878	0.5
76.86330	0.4
77.00153	0.5
77.03915	0.5
78.04684	0.9
79.05486	3.5
81.07059	1.1
82.66105	0.5
91.05457	2.2
93.04674	0.6
93.07043	0.8
94.04181	1.8
95.04958	1.2
97.06522	0.9
103.05464	8.5
105.07023	4.1
106.04184	1.2
107.04951	5.8
107.08595	0.6
109.06521	1.4
115.05450	2.1
117.07026	0.9
121.06510	1.6
121.43546	0.5
122.03634	5.7
123.04473	2.4
123.08039	1.7
124.05210	1.6
128.06271	0.7
129.06984	1.0
131.04919	13.6
133.06474	5.1
135.08031	4.6
137.05971	100.0
138.06288	2.7
141.06989	0.9
143.04910	1.4
143.08569	1.3
144.05655	0.9
145.06468	2.1
147.04404	1.2
147.08067	1.8
149.05966	1.3
151.03894	1.3
151.07533	10.3
152.04700	1.1
153.05470	0.6
157.06516	1.2
158.07262	0.7
159.08049	0.7
160.05183	0.8
161.05937	2.6
163.07536	39.5
164.07872	0.9
165.09151	0.7
167.07030	57.8
168.07436	1.0
171.08060	1.4
172.05241	0.6
173.05963	0.8
173.09570	0.6
174.02740	0.8
174.06827	0.6
175.07549	6.5
177.09068	0.8
179.07043	2.3
181.08556	0.9
181.12221	0.8
187.07533	2.9
188.08276	0.9
189.09123	2.9
193.08580	4.2
201.09045	1.0
203.10609	3.9
205.10258	0.7
207.10147	1.0
219.10162	1.8
221.11691	0.8
233.09621	1.7
233.11722	1.2
259.09735	0.6
260.10092	1.1
261.09207	1.0
263.06921	0.8
265.12311	1.1
275.07056	1.7
278.08920	0.6
293.11688	3.3
295.61176	0.5
307.09628	1.2
309.10681	1.2
325.14328	12.8
326.14709	0.8
335.08990	0.9
337.09695	1.3
353.10043	1.9
355.10645	1.5
357.16928	19.6
358.17416	1.0
375.17957	8.8
390.48260	0.5
435.06070	5.2
452.22424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.8
62.51247	0.8
64.06062	0.8
67.05511	0.8
69.03419	1.1
72.99982	0.8
81.07061	1.5
83.08630	1.1
87.67680	0.8
91.05478	4.2
93.07079	1.1
105.07040	2.3
107.04977	3.8
107.08561	1.3
108.05740	3.3
109.06560	1.2
109.10152	0.9
117.07022	1.4
119.08574	1.4
120.08881	0.9
121.06516	1.6
133.06511	1.2
135.04417	2.5
135.08084	0.9
136.05170	3.9
137.05963	1.7
138.06770	0.8
144.43550	0.8
147.08072	1.9
147.11682	1.8
148.05190	4.4
148.12039	1.2
149.02435	0.8
149.05988	1.0
151.07535	100.0
152.07869	2.1
161.06032	2.5
161.09604	1.0
163.07561	3.2
165.09145	4.8
166.06258	8.2
167.07066	2.8
173.06027	1.0
174.48920	0.8
176.08249	2.1
177.09129	8.2
181.08588	60.6
182.08951	1.3
187.07549	1.2
188.08325	2.3
189.09138	3.6
190.09903	1.1
191.10666	4.4
193.08606	2.5
195.10176	2.2
201.09045	1.4
202.09906	2.3
203.10757	3.4
205.08643	1.3
207.10188	2.8
216.11505	1.5
217.12234	5.4
221.11717	2.1
233.11819	1.8
247.13374	2.9
251.12740	1.3
265.14374	2.0
323.70215	1.0
331.65424	0.8
353.17520	2.3
354.18234	2.8
370.17737	10.4
385.20056	39.7
386.20499	3.0
403.21124	21.5
404.21869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49216	2.1
54.03244	2.1
55.05508	16.3
57.03429	3.5
57.07076	3.0
62.06087	29.2
67.05502	11.4
69.07057	17.7
69.32992	8.6
69.33398	3.7
79.05482	5.4
81.07059	13.5
83.08619	9.4
84.39986	2.0
91.05466	3.8
91.94860	2.4
93.07033	7.2
95.08607	13.4
97.10150	6.1
98.98462	4.4
105.07024	3.9
109.10159	2.9
114.32422	2.2
119.08600	2.3
121.10115	7.0
135.11702	2.9
155.01028	5.4
163.03860	11.1
172.47214	2.7
190.53467	2.3
207.06529	17.9
237.22191	3.0
280.26297	15.5
311.25790	100.0
312.26236	5.8
333.20444	2.3
367.11212	2.7
391.22461	2.7
434.26392	4.7
452.21265	2.6
452.27945	4.7
453.15945	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96636	4.6
54.26688	4.3
54.63801	4.9
55.05521	10.2
57.07087	5.7
66.03053	5.7
67.05519	7.7
69.07070	11.4
69.55399	21.0
71.05010	12.9
79.05490	14.4
80.07526	4.6
80.53987	4.7
81.07069	19.1
83.08640	8.1
85.02905	11.6
87.49773	5.3
89.53867	5.1
91.05518	13.9
93.07059	24.6
95.04999	11.0
95.08624	35.1
97.06556	15.8
100.11287	8.6
105.07034	23.2
107.08614	21.9
109.10171	11.2
119.08620	15.8
121.10159	14.4
123.11738	5.6
125.09640	6.9
133.10104	27.4
137.05988	6.0
143.10681	22.7
145.10150	10.0
147.11729	21.5
149.06003	6.6
149.13315	17.5
151.07568	10.1
151.11198	7.2
159.11729	10.2
163.04007	6.5
167.14333	100.0
169.12297	7.9
186.42720	5.1
201.16441	10.1
219.17485	30.1
237.18588	5.3
260.09967	7.5
352.89417	5.5
453.20972	16.2
453.34250	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.2
57.03443	5.7
59.04996	12.8
59.59799	5.0
65.19707	5.8
67.05505	14.6
69.07082	8.9
70.35684	9.3
71.04996	10.7
75.04493	6.6
79.05491	14.8
81.07055	72.4
83.04996	11.4
83.08623	25.8
84.04530	5.7
84.08172	6.9
85.02927	8.1
85.06570	24.1
91.05489	18.0
93.07046	46.3
95.04980	11.4
95.08601	59.2
97.06553	20.5
99.08094	9.6
100.11266	57.0
101.06028	10.0
105.07026	50.0
107.08595	30.6
109.06563	5.3
109.10170	20.1
111.08077	15.5
113.05981	5.8
119.08564	24.4
121.10169	15.7
123.08091	22.0
123.11716	15.2
124.40353	4.8
125.09619	5.6
127.03909	6.2
128.42303	5.1
131.08553	15.1
133.10155	17.3
135.11699	35.6
137.13266	10.5
141.09087	39.1
145.10127	34.0
147.04381	7.8
147.11682	7.3
149.09599	6.0
149.13257	6.0
151.11206	10.5
159.10179	100.0
159.11668	25.9
161.13293	33.3
162.69476	5.1
163.14847	15.1
167.10663	10.1
169.12238	16.6
173.13293	7.8
179.14240	24.9
182.15392	13.1
187.13316	10.2
189.16360	5.6
201.16405	24.4
209.16559	27.6
209.95230	5.4
210.00143	5.1
210.14931	15.5
219.14055	5.5
219.17422	33.5
226.19054	10.2
237.18520	17.0
435.33182	16.2
452.21210	6.0
453.34418	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.9
55.10868	0.4
57.03439	0.9
57.07069	0.8
58.06608	0.4
66.62135	0.4
67.05510	3.7
69.07062	1.7
75.04490	0.4
79.05493	4.1
80.05008	0.5
81.07054	5.1
83.08628	1.1
83.18591	0.3
87.88110	0.4
89.06016	1.1
89.06606	0.3
91.05486	1.6
93.05779	0.6
93.07057	2.1
94.06571	4.9
95.08603	1.4
96.08131	0.9
97.06539	0.6
105.07031	1.6
107.07345	1.1
107.08605	1.4
108.08123	17.6
109.06512	0.7
109.10111	0.7
110.09727	2.2
110.10385	0.5
113.00021	0.9
117.98333	0.4
119.08601	0.8
120.08104	5.5
121.08866	1.6
122.09669	13.5
131.08588	0.7
133.08669	0.7
134.09676	1.7
136.07603	0.9
136.11235	1.1
138.09135	4.9
140.10677	0.5
145.12233	0.4
146.09671	1.7
148.11232	1.1
150.09158	0.9
150.12677	0.6
152.10709	4.8
162.12817	0.9
163.13503	0.4
164.10738	5.6
166.12251	0.7
166.15953	0.4
178.12236	0.9
194.15372	4.3
206.15395	1.0
208.17053	1.1
239.14790	0.6
246.22154	4.0
274.21667	4.4
276.23331	0.6
292.22748	2.6
296.68985	0.4
304.22699	1.6
332.29370	0.6
336.19339	0.6
360.28922	4.8
366.26434	4.0
378.30029	1.1
396.27530	4.5
452.33716	100.0
453.16824	0.4
453.34122	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16658	2.2
55.05498	6.4
57.03435	18.1
58.10515	2.7
61.02933	3.8
61.77031	2.3
65.03947	3.0
67.05503	90.6
69.03424	24.3
69.07069	5.8
69.22212	16.6
70.06600	9.5
71.01379	2.5
71.05002	9.9
73.02905	17.5
79.05504	8.3
81.03423	8.1
81.07070	10.7
83.04963	4.2
83.08614	10.9
85.02908	16.0
85.06538	22.7
86.09727	4.2
87.04471	3.8
89.06045	4.6
91.05476	6.9
93.07039	5.4
95.08636	2.5
96.53578	2.5
97.02887	42.6
99.04434	2.6
99.08083	3.2
105.07034	6.3
107.08579	12.5
109.10148	100.0
115.03931	14.1
119.08546	5.9
120.08162	2.8
125.02354	5.3
125.09631	9.4
127.03942	8.4
127.11190	67.3
127.12076	4.3
131.08566	3.7
133.10088	4.9
133.79779	2.5
135.11697	3.8
137.09619	3.8
143.10695	7.4
145.04971	3.3
145.10199	3.8
147.11693	3.4
153.12833	2.8
161.04457	15.1
171.11777	3.4
177.05423	2.7
189.12779	8.7
223.13303	3.4
251.12889	3.8
258.75003	2.6
454.14478	2.7
454.21771	8.1
455.14529	4.3
455.22836	4.2
473.52777	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05506	3.6
57.03429	3.8
57.07077	26.5
62.06089	25.7
62.49702	0.8
62.60839	0.9
62.96255	0.8
67.05499	7.1
68.54987	1.0
69.07069	4.8
71.08632	18.1
79.05502	1.2
79.11246	0.7
81.07050	7.4
83.04984	1.0
83.08620	4.4
83.50279	0.8
85.06545	1.1
85.10186	9.0
89.06025	1.4
91.05463	1.6
93.07028	2.7
95.04928	1.1
95.08613	8.9
97.10176	2.5
98.98461	7.7
99.11694	1.0
105.07074	1.4
107.08569	1.8
109.10162	3.5
119.08582	1.0
120.60883	0.9
121.10115	1.1
123.11695	1.5
124.01602	1.5
133.10117	1.3
142.02676	1.0
145.10141	0.9
155.01071	5.1
173.02066	1.1
198.05231	1.6
216.06310	3.0
239.23656	1.9
275.20050	2.4
276.20401	1.0
282.27902	68.8
283.28189	2.3
283.67560	0.9
300.26059	1.0
313.27356	100.0
314.27713	4.6
393.23898	6.4
394.24463	1.2
436.28363	4.0
454.15070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01877	2.9
55.05514	11.5
57.03417	2.0
57.07074	9.6
62.06092	3.2
66.56714	1.5
67.05496	18.7
68.86596	1.9
69.07069	13.4
71.08622	6.4
76.02598	1.7
77.76062	1.7
79.05495	18.5
81.03391	2.2
81.07054	31.2
83.04986	4.0
83.08626	7.2
85.06514	2.7
85.10172	5.2
86.17294	1.6
89.06008	2.8
91.05482	15.9
93.07040	12.6
93.89727	1.5
95.04958	5.2
95.08622	12.2
97.06528	4.5
97.10167	2.3
98.98446	2.3
105.07020	13.7
106.51136	2.1
107.04980	2.2
107.08575	12.1
109.06519	7.0
109.10139	4.0
111.08061	2.6
117.06982	5.4
119.08589	10.7
121.10130	6.4
123.08036	4.7
125.09573	2.1
131.08594	7.5
133.10066	9.3
135.11687	8.3
137.09570	2.5
143.08521	1.6
145.10124	7.8
147.11679	4.7
149.09578	5.1
149.13249	3.4
159.11687	5.8
161.13216	2.4
163.11130	3.0
173.13297	2.1
181.06419	1.6
181.12239	6.8
193.12167	1.8
195.13782	4.6
213.14772	1.8
243.19022	1.7
257.18961	3.7
274.00284	2.0
275.20071	24.6
282.27902	100.0
283.28177	4.1
300.26184	2.8
313.27371	9.4
316.29758	1.7
318.21072	1.7
418.23804	2.3
436.24792	7.1
454.25809	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21702	0.4
62.17610	0.4
67.03160	0.4
70.96336	0.4
112.89609	13.5
130.79509	0.4
156.04205	3.4
158.04060	0.5
200.74332	0.5
296.55078	0.5
305.80038	0.5
309.60831	0.6
353.20502	0.5
369.04037	0.5
400.19934	0.5
455.11630	100.0
456.12033	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03981	0.2
58.64467	0.3
64.87588	0.2
69.78513	0.7
71.69057	0.2
98.23402	0.5
112.89616	3.0
134.29182	0.2
138.79034	0.2
140.54482	0.3
293.06326	0.3
306.70636	0.2
314.31662	0.2
408.79581	0.3
455.11612	100.0
456.11908	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1316
Annotation	Nap-Met-OH
Peak:m/z	Relative Intensity
59.37734	1.0
67.05492	1.2
70.06575	4.3
70.20947	2.7
84.08086	1.5
86.09698	1.8
93.19270	1.1
98.97574	2.2
110.07174	4.7
116.98646	1.2
126.02855	1.0
127.03947	1.0
132.21341	1.1
156.07700	1.7
181.04895	1.2
219.01794	1.2
222.01965	1.7
240.02979	2.9
255.05490	2.7
258.03970	1.7
268.68500	1.0
273.06305	1.7
311.08109	1.5
331.35507	1.0
338.20645	2.3
437.23108	1.2
455.13095	100.0
455.23917	5.0
456.13242	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1469
Annotation	Marchantin G
Peak:m/z	Relative Intensity
67.05498	31.7
69.07061	27.3
70.78461	45.2
79.05517	28.9
81.07044	31.9
85.84245	22.1
93.07057	27.3
95.08585	34.7
98.97580	50.5
107.08646	31.2
116.98600	54.8
134.99567	25.0
135.04419	48.2
365.22321	24.4
395.22577	31.7
455.14044	100.0
464.18900	26.3
467.00980	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16250	0.6
55.05482	2.0
56.96532	0.9
64.23908	0.6
66.62354	0.6
67.05496	1.0
69.07046	0.9
69.20018	1.7
69.20435	2.9
78.63141	0.6
79.05470	1.0
81.07014	1.5
83.04944	0.8
83.08584	1.1
84.04481	1.0
85.02882	1.5
91.05459	1.3
93.07008	1.2
95.08583	1.5
97.02850	0.7
100.02159	1.6
100.11203	1.6
105.06995	1.0
107.08549	1.6
109.06490	0.7
110.46030	0.7
119.08530	1.3
121.10103	0.9
125.09538	1.0
127.03837	0.9
130.04944	1.2
131.37831	0.7
136.07480	2.0
146.02599	1.9
164.03642	1.0
177.05200	0.7
185.04126	1.0
191.14255	1.1
203.05211	0.8
207.13437	1.5
245.06213	2.1
248.74919	0.7
250.14241	2.6
271.04001	0.8
289.05280	6.0
309.13287	0.7
322.07761	0.8
331.18243	2.3
369.18835	6.0
411.19885	23.2
412.19815	1.5
454.33969	1.8
455.18411	100.0
456.18958	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80209	0.5
68.45135	0.6
70.97614	0.6
71.49664	0.8
73.83202	0.5
91.96423	0.6
98.23153	0.7
100.66012	0.5
106.44627	0.5
108.51215	0.6
151.07561	4.7
395.18338	16.5
395.23535	1.0
440.18240	0.7
455.20416	100.0
456.20624	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.204
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
56.96568	1.9
61.68610	0.8
69.03444	0.8
69.59026	1.9
69.59385	1.7
71.04990	1.7
85.02882	1.8
86.03178	0.9
90.00230	0.7
93.07007	0.9
98.97572	1.9
100.55103	1.0
105.07057	0.9
107.08561	0.9
134.47104	1.0
146.02742	1.5
184.72766	0.8
208.97264	1.0
223.10167	1.0
224.45137	0.7
275.11841	1.0
367.14374	2.5
455.20352	100.0
456.20853	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.205
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
55.05520	1.1
55.42387	1.0
64.07035	1.2
69.03417	3.1
69.07071	1.7
69.98383	3.1
70.06592	3.1
70.93914	1.1
81.07035	1.3
84.08147	2.7
85.02883	3.6
86.09691	1.8
91.05486	1.5
93.07077	1.5
95.04977	1.4
95.08612	2.2
97.02879	1.2
98.97581	3.2
105.07037	1.2
109.02851	1.5
109.06542	1.6
113.03503	2.3
116.98689	1.5
117.03400	2.3
119.08608	2.4
127.03894	1.6
131.08566	3.6
133.10097	1.8
135.08009	2.1
135.11696	1.5
137.09618	1.1
145.02872	8.5
147.08061	4.2
151.07527	5.4
168.97372	1.3
171.11685	1.7
177.05478	16.1
189.12747	8.6
191.14346	2.2
207.13805	2.5
214.43626	1.1
227.12791	1.6
229.15538	2.5
277.17609	2.9
283.15363	2.3
297.52451	1.2
307.08118	3.1
385.18344	2.9
455.21182	100.0
456.21103	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2043
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
55.05505	2.0
56.96532	1.6
67.05492	1.5
69.07026	1.1
69.12815	2.6
69.13236	3.9
70.06585	3.1
84.08141	1.8
86.09681	2.8
97.06498	1.2
98.22722	2.6
100.07600	1.0
100.11237	1.6
100.71514	0.9
111.04392	1.2
113.03481	4.0
119.04900	0.9
145.02824	1.6
177.05406	3.5
182.15254	1.3
189.12788	1.2
208.13391	1.5
210.14725	1.4
277.17596	1.7
293.13962	1.0
318.85208	1.0
383.29404	1.3
385.18256	9.3
455.20731	100.0
456.20547	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12865	0.9
55.05507	1.3
65.90742	0.7
67.05490	1.0
70.04240	0.9
79.54409	1.1
82.91473	0.9
91.05485	1.0
93.07050	1.2
98.22935	0.9
105.07098	1.5
109.10155	0.9
111.94675	1.0
113.76729	0.9
119.48291	0.9
139.77254	0.9
155.88493	1.1
351.25375	1.1
369.26169	7.5
393.26227	0.9
411.27173	58.7
412.27646	3.5
455.26227	100.0
456.26617	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05511	4.8
57.07054	1.9
67.05506	5.9
69.07063	6.0
71.22533	0.9
79.05486	4.8
80.87827	0.7
81.07051	14.4
83.08598	1.7
91.05476	4.9
93.07043	10.0
93.86106	0.7
95.04976	1.2
95.08598	20.0
97.06523	1.0
97.10163	5.2
105.07019	11.1
107.08579	15.1
109.06523	1.5
109.10144	11.6
111.08082	2.2
117.06997	1.9
119.08562	12.3
121.10140	10.5
123.11683	5.7
129.07050	1.1
131.08562	5.6
133.10121	9.3
135.11664	4.6
139.11165	1.0
143.08542	3.9
145.10117	17.9
147.08026	1.0
147.11678	8.5
149.13254	5.4
151.11171	2.4
155.08527	2.0
157.10120	8.0
159.11691	9.9
161.13257	4.1
163.11092	0.9
163.14775	2.1
165.12814	1.8
167.14331	0.9
169.10101	7.1
170.10947	1.2
171.11711	5.1
173.13261	5.8
175.14801	3.8
177.12810	2.0
177.16394	2.7
179.14374	1.0
182.10916	0.9
183.11707	5.1
185.13243	3.8
187.14806	11.7
189.16389	2.6
193.15869	1.6
195.11755	0.7
195.13837	1.3
197.13312	2.2
199.14851	2.5
201.16377	3.1
203.17957	1.3
205.15860	6.4
208.87102	0.8
209.13277	1.4
211.14810	2.8
213.16412	3.4
215.14360	1.7
215.17928	2.0
217.15900	1.0
219.17461	1.0
223.14865	1.7
223.16949	4.2
225.16396	2.2
227.17960	3.4
231.17479	0.8
233.19016	2.2
239.17973	3.0
241.19492	3.3
243.20935	1.0
245.18839	1.7
251.17963	2.4
253.19501	6.5
255.21117	2.3
259.20590	2.0
265.19431	1.5
267.21021	1.9
269.22430	0.8
271.20563	2.2
279.21164	1.0
281.22766	1.0
283.17419	0.8
283.20569	2.4
285.22122	8.5
287.23672	2.1
299.23718	2.0
350.99939	0.8
369.97031	0.8
379.30161	1.0
389.32001	1.7
395.22772	1.2
407.32916	5.1
408.48236	0.7
411.32388	1.0
419.33282	3.8
425.34448	1.9
437.34146	7.3
455.20923	2.8
455.35162	100.0
456.30627	0.8
456.35629	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.03936	0.7
55.05519	3.2
57.03414	0.6
57.07076	1.2
67.05505	4.6
69.03415	0.5
69.07066	4.8
74.44806	0.5
77.11765	0.4
79.05482	4.5
81.07054	11.5
83.08633	1.6
83.56513	0.5
91.05479	5.2
93.07045	10.1
95.04950	1.3
95.08604	16.6
97.06509	1.0
97.10170	2.1
98.97603	1.0
105.04527	0.6
105.07028	11.6
107.08590	11.6
109.06518	1.2
109.10159	9.2
111.08089	1.6
111.11697	0.6
117.07034	3.0
119.08585	12.2
121.06439	0.9
121.10143	8.6
123.08066	0.6
123.11702	3.4
125.09683	1.0
128.06212	1.2
129.07066	1.4
129.26659	0.5
131.08563	6.8
133.10121	9.1
135.08080	0.9
135.11699	3.8
141.07028	0.6
142.07819	1.1
143.08533	4.5
145.10121	21.0
146.10512	0.7
147.11696	10.5
149.02344	1.3
149.09634	0.8
149.13266	3.3
150.02655	0.7
151.11174	1.3
155.08585	2.1
156.09294	0.7
157.10104	5.7
159.11705	8.3
161.13242	4.0
163.11285	0.7
163.14828	1.6
169.10138	3.6
170.10876	0.8
171.11681	4.8
172.12421	0.6
173.09605	0.7
173.13235	5.3
175.11301	0.9
175.14804	3.3
177.12772	1.2
177.16409	1.6
179.14336	1.1
181.10406	0.5
182.10913	0.5
183.11719	3.7
185.13206	2.7
187.14798	11.8
189.16403	2.8
191.14383	1.0
193.04994	0.9
193.15857	1.0
194.05399	0.7
195.11803	0.6
195.13809	0.9
196.12482	0.7
197.13310	3.0
199.14879	2.3
201.16356	2.8
203.17992	0.9
205.15889	7.8
207.17506	0.8
209.13245	1.1
211.14836	3.0
213.16362	2.6
215.14433	0.8
215.17982	2.3
217.15778	1.2
219.17467	2.0
223.14926	0.8
223.16869	4.9
225.16431	1.6
227.17986	1.2
229.16031	0.7
229.19449	0.8
231.17535	1.7
231.21054	0.5
233.18979	3.3
237.07602	1.9
237.16501	0.7
238.07840	1.8
239.17986	2.3
241.19537	1.6
245.19075	2.2
249.77795	0.5
251.17882	0.6
253.19482	3.2
255.21133	1.5
257.22742	0.6
259.20618	2.2
265.19565	1.7
267.21054	1.9
271.20523	1.3
273.22171	0.7
274.97479	1.1
281.22751	0.7
283.20709	0.9
285.22104	9.4
287.23700	1.5
292.98679	0.9
299.23706	2.1
379.30057	0.7
389.32205	0.6
401.32379	0.6
407.32983	2.9
419.33221	1.7
425.34018	2.3
437.34128	4.8
455.17114	6.3
455.35199	100.0
456.17047	1.0
456.35580	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05499	1.4
57.03434	6.3
59.04988	1.8
61.02895	0.6
62.65899	0.7
67.05496	2.7
68.05007	0.7
69.03428	19.0
70.06610	1.1
71.04974	1.3
71.08627	18.1
72.08155	1.1
73.02904	0.7
79.05468	0.9
81.03422	2.0
81.03940	0.6
81.07050	1.4
85.02895	15.5
86.09710	0.7
87.04465	13.6
91.05483	1.6
93.07019	0.8
95.08607	1.5
96.04498	1.0
97.02888	13.1
98.09700	0.6
98.97561	1.0
99.08087	28.1
105.07006	1.3
107.08606	1.3
109.02869	1.2
109.06487	1.2
109.10146	2.0
111.22175	0.7
113.07103	1.0
115.03931	16.3
119.04852	0.9
119.08585	1.0
121.10201	0.8
125.91281	0.7
127.03925	2.0
127.11186	27.0
131.12953	0.9
133.04961	16.9
133.10094	1.7
135.04359	0.9
145.04964	2.1
145.12228	100.0
146.12567	1.4
149.09679	0.7
150.07652	1.1
152.21960	0.8
163.03865	0.8
187.05954	0.9
189.12715	3.7
190.13153	3.5
191.14297	1.0
192.10139	1.1
207.13774	1.4
208.13483	2.3
265.11987	0.9
274.97531	1.0
365.17169	0.8
397.19864	1.9
413.17859	1.1
424.24133	1.3
456.22446	12.3
457.15268	3.3
457.24374	9.2
457.42108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03434	9.9
61.02922	2.0
67.05502	3.7
69.03116	0.5
69.03432	6.1
69.07070	2.9
70.06591	2.5
71.01343	0.5
71.04996	2.5
71.46404	0.5
72.08159	0.5
73.02916	9.1
79.05470	0.4
81.03410	1.1
81.07050	1.1
82.21053	0.3
83.08624	5.5
84.04504	0.4
84.08105	0.7
85.02908	8.6
86.09722	0.7
87.04465	0.6
95.06087	0.4
97.02263	0.4
97.02892	8.6
98.97605	0.8
99.04445	0.8
105.07047	0.4
109.02895	1.1
109.10154	34.0
110.07183	0.9
110.10491	0.9
113.59550	0.4
115.03923	5.0
117.71133	0.3
127.03931	2.5
127.11191	100.0
127.90767	0.3
128.11555	2.0
133.04973	1.3
145.05006	1.9
145.12236	26.3
146.12553	0.4
163.05992	0.6
189.42213	0.3
193.05070	0.4
229.15509	0.9
241.07191	0.7
251.45546	0.4
259.08289	0.7
274.97516	0.4
292.34705	0.5
456.23343	1.8
457.20801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49636	0.5
56.96551	0.8
62.06959	0.6
69.51396	2.0
70.06593	0.9
71.47286	0.6
72.08143	0.9
81.07049	0.7
84.96017	1.0
85.02885	0.7
86.09685	0.8
93.07012	0.9
95.08604	0.7
96.04497	0.9
98.97580	6.8
99.85217	0.5
109.10152	0.6
112.99123	2.3
116.98602	2.4
120.08091	1.1
126.19596	0.7
131.00159	2.1
131.12892	2.3
140.98607	0.8
145.12213	0.9
149.01233	1.0
158.99631	2.1
162.17070	0.6
165.09094	1.1
173.01227	1.5
174.39883	0.6
177.00751	1.5
191.02245	1.7
203.05215	3.4
207.31184	0.5
219.01715	0.9
251.09613	2.0
269.10617	2.5
277.17719	11.9
279.19281	7.4
283.11761	1.0
293.10693	1.5
295.18878	1.5
311.11597	2.0
323.11716	0.7
371.16718	1.0
413.15744	4.2
439.13705	0.8
457.14709	46.0
457.23938	100.0
458.15079	2.9
458.24051	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96568	1.8
57.88794	0.7
62.82410	0.7
65.61219	0.7
70.00426	1.8
70.06576	2.2
72.08147	1.6
73.02939	0.7
81.07070	0.9
84.96020	1.4
85.02926	0.9
91.05456	0.9
93.07042	1.3
97.02898	0.8
98.22746	1.4
98.97584	9.3
100.08337	0.8
105.07021	0.8
112.99117	2.3
114.10323	1.0
116.07070	0.8
116.98618	3.9
119.08700	0.7
120.08134	1.5
131.00146	2.9
131.12909	2.2
134.08144	0.9
158.99675	2.4
165.09027	1.1
173.01233	2.4
177.00734	2.2
184.05859	0.7
191.02277	2.2
201.00626	1.6
203.05243	2.7
219.01627	0.9
251.09595	3.3
269.10696	1.9
275.21136	1.2
277.17752	8.8
278.18066	0.8
279.19281	6.0
293.10458	1.7
311.11636	1.8
371.13202	1.0
371.17166	1.1
413.16440	3.3
440.26663	1.1
457.14807	53.5
457.23941	100.0
458.14792	2.2
458.24353	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01870	2.8
55.05499	2.5
57.03430	1.6
61.21480	1.1
63.86819	1.1
67.05505	3.4
69.03425	13.7
69.07074	3.0
69.99653	3.3
73.02906	2.0
79.05494	2.8
81.03413	11.2
81.07061	5.2
83.04993	2.8
85.02910	18.4
87.00813	8.0
91.05486	4.4
93.07054	3.3
95.04971	4.1
95.08626	4.6
97.02903	5.2
99.04449	2.1
103.80529	1.2
105.01851	4.9
105.07022	5.5
107.04924	1.3
107.08588	14.4
108.18963	1.2
109.02880	8.7
109.06525	7.5
109.10151	5.4
119.08559	2.3
121.06473	1.5
121.10126	14.7
122.07267	3.0
123.08080	4.1
123.11699	2.7
127.03915	11.7
130.40143	1.1
131.08525	1.6
133.10120	47.2
135.08061	5.2
137.09613	36.2
144.09343	1.1
145.04944	2.8
147.11659	2.7
149.09679	6.8
149.13251	9.6
151.11176	50.9
159.02885	3.8
165.12741	30.9
167.86427	1.4
173.13287	3.6
189.12654	1.1
191.14313	26.6
193.15884	5.8
201.28180	1.2
209.15364	100.0
210.15665	2.5
231.04991	1.7
357.54276	1.2
457.23969	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01889	1.4
55.05509	3.5
57.07070	2.0
59.04995	1.6
59.21294	0.9
64.76069	0.9
65.03951	1.0
67.05503	5.1
68.85522	0.8
69.03417	13.1
69.07059	8.8
70.70690	1.6
71.04988	5.5
71.84496	0.8
72.21825	1.0
79.05506	5.0
81.03406	4.8
81.07055	9.7
83.04977	11.7
83.08608	2.7
85.02902	9.4
87.00835	3.9
91.05483	3.5
93.07039	7.5
95.04961	3.9
95.08602	22.2
97.02896	2.7
97.06528	3.7
98.97579	1.2
99.04459	1.9
99.08094	5.9
105.01873	2.5
105.07024	7.4
107.04955	0.9
107.08586	38.0
109.02853	3.6
109.06509	9.4
109.10144	18.5
111.08070	1.5
113.09632	1.3
119.08563	4.2
121.06480	5.8
121.09262	2.0
121.10140	36.7
122.07266	1.5
123.08068	6.3
123.11715	2.4
125.09634	13.1
127.03932	4.7
129.06949	1.4
131.08562	5.3
133.10118	25.9
135.08043	14.6
135.11682	3.7
137.09613	18.4
139.11180	5.0
140.73036	0.8
143.08611	1.3
145.04973	2.1
145.10085	2.2
147.11670	10.4
149.09627	13.6
149.13254	22.8
151.11171	97.3
152.11531	3.1
153.09082	3.3
158.10892	2.1
159.02907	2.0
163.14807	16.4
165.12741	6.9
173.13258	14.8
191.14296	97.3
192.14583	2.2
193.15947	1.3
209.15358	100.0
210.15707	3.4
231.05173	0.9
242.27515	0.9
242.44118	0.9
329.26877	1.0
375.29071	1.0
389.14474	1.0
413.15170	1.4
457.14648	14.9
457.21881	13.4
458.14636	1.4
466.28479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05513	2.3
67.05499	2.2
69.03432	6.9
69.07073	1.5
69.55762	2.7
72.08188	0.8
79.05483	6.5
81.03391	1.1
81.07056	5.8
81.96217	0.7
83.04978	1.8
85.02901	3.1
86.09698	1.4
87.00821	1.7
91.05499	4.3
93.07030	3.3
95.08643	1.6
97.02876	1.2
98.23422	1.2
99.04463	1.2
100.30896	0.9
105.01858	1.0
105.07039	5.3
107.04967	3.4
107.07921	1.4
107.08604	17.1
109.02930	1.3
109.06524	4.9
109.10181	5.0
115.05501	1.1
117.07005	1.6
119.08594	1.4
121.06536	1.5
121.10154	9.7
122.07253	4.6
123.08128	1.1
127.03889	3.9
131.08557	3.0
133.10133	100.0
134.10460	1.9
135.08031	8.4
135.11699	1.3
137.09621	57.0
147.11707	2.2
149.09605	1.3
149.13255	8.5
158.10944	1.9
163.14835	2.3
173.13283	5.3
191.14314	51.4
192.14680	1.6
209.15381	3.1
228.24649	0.8
232.07097	4.0
270.59198	0.8
281.33066	0.7
326.24033	1.0
329.40118	0.9
457.14920	2.1
473.52847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2408
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
55.05523	0.3
69.03436	0.4
69.07056	0.3
70.06592	1.4
71.04995	0.3
71.46438	0.2
72.08166	0.3
76.26629	0.2
78.28532	0.2
81.03426	0.5
84.71928	0.2
84.98287	0.2
85.02900	0.4
85.22202	0.2
86.09689	0.8
91.05459	0.3
95.04967	0.3
97.06555	0.3
107.04961	0.3
119.05033	0.2
121.06454	0.2
126.51180	0.2
127.03915	0.5
131.08540	0.4
135.97508	0.2
137.05989	0.6
151.07539	0.8
161.80699	0.2
163.03915	0.3
165.05675	0.2
175.07564	0.3
182.15407	0.3
189.09300	0.3
191.14369	0.3
201.03796	0.5
203.05231	0.5
205.08533	0.3
209.15262	0.4
210.66069	0.2
217.08759	0.3
229.15575	0.3
277.17834	0.8
279.19385	0.7
295.18747	0.6
325.07147	1.4
328.09210	0.3
337.06866	0.3
351.08478	0.3
379.08127	0.9
409.09424	0.3
439.23764	0.6
440.31290	0.3
457.24078	100.0
458.24408	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03933	0.4
55.05496	0.4
61.00308	0.4
67.05500	0.5
69.03429	3.2
69.07082	0.5
69.10335	1.5
69.10747	1.0
79.05491	0.4
81.03410	2.5
81.07043	0.8
84.28234	0.4
85.02898	3.3
86.09710	0.8
87.00824	1.1
91.05500	0.5
93.65871	0.4
95.08604	0.5
97.02880	1.8
97.06561	0.4
98.23527	0.7
99.04432	0.8
105.07023	0.6
107.08582	1.7
109.02872	0.8
109.06520	0.8
121.10123	2.2
122.07297	0.6
123.08126	0.5
127.03921	2.4
133.10138	2.8
137.09647	2.6
145.04988	1.5
147.11682	0.4
149.09653	1.2
149.13274	1.2
151.11157	4.7
159.02919	0.4
165.12759	5.6
173.13228	0.7
189.99976	0.3
191.14258	2.1
193.15897	1.1
203.05347	0.4
209.15361	17.1
209.74170	0.3
277.17822	0.4
295.18814	1.4
295.94858	0.4
300.40240	0.3
347.18469	0.4
369.18997	1.6
371.16727	1.1
397.44501	0.4
439.23148	0.8
457.24091	100.0
458.24197	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2409
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
55.05484	0.3
57.03456	0.3
68.75554	0.3
70.06577	0.5
70.85444	0.4
71.04993	0.6
83.04940	0.3
84.08179	0.3
85.02919	0.6
97.06522	0.3
110.04122	0.2
149.09637	0.8
187.74245	0.3
201.03746	1.8
203.05301	3.2
209.11568	0.3
277.17712	6.4
277.20517	0.5
279.19302	11.7
280.19897	0.4
289.05249	0.6
295.18570	0.4
321.27713	0.3
371.16574	1.0
397.21954	0.3
413.17932	3.2
439.15488	0.4
457.17023	6.6
457.24115	100.0
458.17828	0.5
458.24356	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42239	0.3
62.13290	0.3
64.22137	0.3
65.29030	0.3
69.11991	2.3
70.06577	0.4
71.32308	0.4
80.45269	0.4
81.07045	0.5
84.08024	0.3
165.24332	0.3
191.10490	0.9
203.05241	1.2
209.11432	2.1
225.05128	0.3
237.10864	0.4
245.06429	0.6
253.13861	0.3
277.17691	1.0
295.18750	0.9
371.16708	2.7
413.17764	8.0
414.18082	0.5
433.95352	0.3
439.23126	0.4
457.16812	21.8
457.23938	100.0
458.17068	1.1
458.24280	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21416	0.2
53.03952	0.3
62.69527	0.3
69.03411	0.7
69.07072	0.4
69.27478	0.3
69.91206	0.4
69.91541	0.6
70.06591	0.3
71.04991	0.4
72.08167	0.5
79.05511	0.3
81.03420	0.9
81.07050	0.7
85.02908	0.8
86.09713	0.6
87.00845	0.3
91.05495	0.5
93.07060	0.7
95.04968	0.3
95.08612	0.3
97.02955	0.3
97.06509	0.4
98.23531	0.3
98.97578	0.4
99.04458	0.3
99.61060	0.3
105.07058	0.9
107.08591	0.9
109.02876	0.7
109.06499	0.3
119.08574	0.6
121.10159	0.5
127.03910	0.8
131.08595	0.6
133.10156	2.0
134.08174	0.4
135.08049	0.4
136.07610	0.6
143.08609	0.3
145.10118	0.4
151.11235	0.8
158.99710	0.3
173.13274	1.5
191.14301	1.4
203.05237	1.9
207.13638	0.3
209.15364	2.3
211.53282	0.3
213.12827	0.3
231.04967	0.3
277.17755	6.7
279.19226	1.7
295.18939	1.4
369.18768	1.4
371.16830	1.4
439.10150	0.4
439.23111	1.5
457.24121	100.0
458.24329	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23904	1.6
58.73805	1.7
69.70493	4.3
69.70889	3.3
108.85747	1.7
391.83954	1.8
417.09442	100.0
418.09610	5.1
431.93958	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
57.03425	0.4
61.02930	0.5
67.05512	1.6
69.03439	1.5
69.07069	0.6
70.06576	0.5
79.05489	0.6
81.03413	0.7
81.07052	2.1
83.79814	0.3
84.04503	0.5
85.02910	6.0
85.06554	1.6
86.09682	0.4
91.05463	0.5
92.94939	0.3
93.07039	0.5
95.04945	0.5
95.08590	0.8
97.02885	0.9
97.06512	0.4
105.07006	0.4
107.08627	0.4
109.02887	0.7
109.06550	1.3
109.10141	2.2
110.06825	0.3
119.08565	1.2
121.06534	0.3
127.03915	1.1
127.07562	2.6
132.66406	0.3
133.10136	0.6
135.08075	0.6
137.09599	4.5
145.04965	0.7
151.07544	0.4
153.09091	1.2
165.09108	100.0
166.09459	2.4
180.08739	0.3
191.10657	0.5
191.14401	0.5
192.14600	0.3
194.11720	0.6
196.91879	0.3
203.05020	0.3
210.15265	0.4
212.12819	0.5
212.60863	0.3
217.12216	0.3
237.02856	0.3
243.13799	1.0
254.13817	1.1
261.14853	9.4
262.15204	0.5
279.15900	22.1
280.16324	1.2
291.19434	1.0
312.65945	0.3
317.17123	1.7
336.19058	0.3
363.58957	0.3
440.30023	1.1
458.22247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05665	1.0
55.05506	6.6
57.07072	3.5
59.04993	1.9
59.84356	1.1
67.05504	13.7
69.03417	6.6
69.07062	11.4
70.96646	1.9
71.04997	2.0
77.03921	1.1
79.05494	1.7
81.03411	4.2
81.07055	13.7
83.04977	8.5
83.08597	5.3
85.02892	6.1
85.06528	3.0
87.00837	2.2
87.75541	1.3
91.05462	2.8
93.07027	7.2
95.04953	1.7
95.08016	2.4
95.08601	29.7
95.09209	1.8
97.02880	2.6
97.10155	2.0
99.04468	2.0
99.08093	2.7
100.84180	1.1
105.01852	1.6
105.07024	3.4
107.08603	16.4
109.02859	2.8
109.06511	7.8
109.10154	83.5
110.10478	1.8
111.08060	3.1
119.08580	26.0
121.10144	10.7
123.08070	11.0
123.11698	6.6
127.03899	4.8
127.11163	1.5
133.10121	19.0
134.27129	1.1
135.11688	78.0
136.11996	1.4
137.09616	14.8
139.11198	2.5
142.98981	1.2
147.01527	1.2
149.13235	5.0
151.11165	8.4
151.14813	9.9
152.15100	1.3
153.12727	1.6
159.12802	1.1
165.16360	3.4
175.14825	35.3
175.16362	1.8
175.54965	1.1
182.99757	1.0
188.53874	1.4
193.15880	53.1
209.32681	1.3
211.16925	100.0
212.17261	2.4
254.69145	1.1
318.19351	1.2
359.38416	1.2
393.63995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2533
Annotation	Adenostin A
Peak:m/z	Relative Intensity
52.83064	0.4
53.03941	0.7
55.01869	1.2
55.05511	3.5
64.70023	0.4
67.05500	4.3
69.03426	0.8
69.07055	0.6
69.25446	2.7
77.03937	0.9
78.12589	0.5
79.05498	2.9
79.38461	0.4
81.07054	2.7
83.04524	0.8
83.04985	11.2
83.08614	0.6
91.05476	5.7
93.07041	8.1
95.04990	2.8
95.08600	6.9
97.06558	0.8
98.23412	1.1
99.04465	0.5
105.04520	0.6
105.07030	5.6
107.04937	0.6
107.08583	2.8
109.06508	1.0
109.10115	0.8
111.04466	4.8
111.08095	2.7
111.94317	0.5
112.91851	0.5
115.05449	1.3
117.07014	3.5
119.08578	6.0
121.06510	1.5
121.10159	1.4
121.20494	0.4
123.08064	1.3
125.05986	0.6
128.06224	2.8
129.06984	4.5
130.07774	1.0
131.04906	0.4
131.08577	4.3
133.10141	4.7
135.04416	0.8
135.08055	1.4
135.11670	0.5
137.05858	0.5
139.07550	1.3
141.06982	3.2
141.09106	0.6
142.07776	2.4
143.08542	4.5
144.09331	1.2
145.06485	1.1
145.10118	2.8
147.08044	1.7
147.11664	1.9
147.12808	0.5
149.05974	1.1
152.06242	1.0
153.05495	1.7
153.06992	2.3
154.07805	2.8
155.08548	11.8
156.09360	2.3
157.06508	0.9
157.10104	4.1
158.07114	0.5
159.08038	2.7
159.11674	3.8
161.09627	1.5
165.07063	2.4
166.07793	1.6
167.08575	4.2
168.09335	1.2
169.06451	0.7
169.10120	11.3
170.10866	1.0
171.08023	1.3
171.11678	3.9
172.08752	0.7
173.06021	0.5
173.09650	2.2
173.13225	0.7
175.11198	1.1
178.07780	1.3
179.08530	4.0
180.09348	2.0
181.06477	0.8
181.10121	3.1
182.07295	1.3
182.10924	0.9
183.08136	0.6
183.11703	3.6
185.05934	0.6
185.09671	0.8
185.13304	1.2
187.11180	3.5
191.08577	1.4
192.09320	3.4
193.10144	4.7
194.10863	2.1
195.08072	3.7
195.11690	3.1
196.12402	0.4
197.09601	5.2
197.13313	1.7
199.07558	2.0
202.07722	0.8
203.08604	1.6
204.09373	1.5
205.10110	2.9
206.10883	3.2
207.11696	7.6
208.08881	0.5
208.12448	1.2
209.09628	1.5
209.13226	3.8
211.07581	0.5
211.11243	1.3
213.09062	0.6
213.12737	0.5
215.08598	1.2
215.10648	6.4
216.09413	1.6
217.10204	3.2
218.10989	2.1
219.08058	0.7
219.11676	6.8
220.08864	0.6
220.12515	1.4
221.09641	0.7
221.13203	3.7
222.10497	0.6
222.14091	0.6
223.11188	1.7
223.14865	1.2
224.11800	0.7
225.12839	2.0
227.10738	0.6
228.09354	0.8
229.10124	2.7
229.12227	0.8
230.10995	2.4
231.08102	0.8
231.11707	4.0
232.08763	0.6
232.12360	2.1
233.09685	1.1
233.13252	3.9
234.10486	0.5
234.14053	1.1
235.11208	1.8
235.14850	1.3
237.12758	2.1
241.10115	0.9
242.10875	1.3
243.11752	4.8
244.08810	0.6
244.12437	4.2
245.09610	1.1
245.10802	0.5
245.13228	5.6
245.15331	0.7
246.10500	0.8
246.14001	2.4
247.11201	1.7
247.14793	2.5
248.11856	0.8
248.15617	0.7
249.12811	2.2
251.14323	0.8
253.12334	0.9
255.11571	1.4
255.13860	3.0
256.12534	1.5
257.13251	4.2
258.13983	2.7
259.09744	2.2
259.14798	6.5
260.15604	2.0
261.09143	0.6
261.12808	1.7
261.16159	2.2
263.14343	0.9
265.12280	1.0
267.13968	3.0
268.12244	0.7
269.09418	0.7
269.13269	2.0
270.13947	1.7
271.11261	1.4
271.14838	3.6
272.11942	1.3
272.15649	2.1
273.12827	1.4
273.16428	3.8
274.17136	1.1
275.10922	0.6
275.14337	1.8
275.17953	1.6
277.12311	0.9
277.15732	1.2
281.13214	0.8
282.13849	0.9
283.11249	0.9
283.14813	1.6
284.12146	0.6
284.15604	2.0
285.12775	1.9
285.16415	3.5
286.13599	1.2
286.17010	1.2
287.14337	2.6
287.17975	1.9
288.15189	0.5
289.12262	0.7
289.15829	1.0
289.19370	0.6
295.14590	0.7
297.13080	1.1
297.16327	1.0
299.14319	1.7
299.17953	3.4
300.15149	0.9
300.18607	1.0
301.15884	3.1
301.19482	2.0
302.16605	1.1
303.13895	1.5
303.17294	1.4
303.20804	0.7
304.14600	0.6
305.15454	1.8
309.12961	0.6
309.16547	0.9
311.14343	0.6
311.17740	0.6
312.15128	0.7
313.15836	1.1
314.20288	1.0
315.17468	1.0
315.21140	1.6
316.21896	1.0
317.15714	1.1
318.16083	0.7
319.16937	1.4
320.17764	0.8
321.18628	1.2
325.15964	0.8
325.19672	0.7
327.17429	2.7
328.18027	1.0
329.19037	1.5
330.16061	0.6
331.17001	0.9
331.20624	1.0
333.18521	0.9
341.18866	0.6
342.19586	2.2
343.20221	0.7
345.18491	4.5
346.19122	0.5
347.20035	1.4
349.21548	0.7
359.20309	0.8
360.20880	1.6
395.23544	0.5
399.18903	0.4
399.23495	3.1
400.23715	0.5
413.24783	6.0
415.26703	3.7
423.23215	3.0
431.25558	2.6
441.24265	31.3
442.24597	1.9
459.25305	100.0
460.25690	8.9
465.18454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.8
67.05496	1.6
69.07064	2.3
69.30865	3.1
71.08627	0.8
81.07055	2.7
83.08609	0.7
89.06075	0.8
91.05522	1.0
93.07058	1.2
95.08611	2.3
105.07069	1.1
107.08566	1.4
109.06500	0.7
109.10172	1.1
119.08611	1.3
121.06536	0.7
123.08032	0.6
138.51443	0.7
145.10120	1.0
151.07588	4.9
177.05528	0.7
191.10725	1.4
257.29309	0.6
279.12149	2.2
309.22638	1.2
316.18378	0.7
333.20435	1.0
347.18286	4.7
459.30884	100.0
460.31226	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3076
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
57.07085	2.3
57.96822	1.0
67.05508	1.7
69.07058	3.1
70.52540	1.1
71.40868	1.2
77.52802	1.1
81.07053	3.3
89.06017	2.8
93.07040	3.8
95.08588	2.9
105.07047	2.8
107.08569	2.0
118.06353	1.1
119.08566	1.6
121.06516	1.7
121.10144	2.0
133.08594	1.5
134.98158	1.7
135.08055	5.7
151.07565	9.8
165.09042	1.2
173.09706	1.6
191.10648	30.3
192.11119	1.4
195.12328	1.3
221.72510	1.1
279.12109	2.0
295.17194	1.6
306.12601	1.2
309.22507	1.8
347.18283	5.0
363.31085	2.6
452.64825	1.3
459.30795	100.0
460.31064	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.1
55.01875	9.2
55.05521	2.0
56.12503	1.0
57.03432	5.5
60.04512	1.6
61.02923	4.8
67.05531	1.1
68.99796	3.3
69.03435	28.2
69.80460	2.8
71.04978	3.6
73.02929	7.2
79.05506	3.6
81.03422	27.3
81.03894	1.4
81.07063	2.2
83.01350	0.9
83.04996	1.2
83.08632	1.2
83.11905	1.1
85.02910	76.9
86.03227	1.2
86.17677	1.0
87.00832	29.2
91.03960	1.9
91.05493	2.0
93.07060	1.9
95.04961	2.2
95.08624	1.0
97.02896	28.5
99.04460	11.6
103.03894	1.2
103.05457	2.2
105.01871	24.8
105.07059	5.4
107.04961	37.8
108.04487	8.4
109.02888	26.9
115.03964	1.2
115.05451	1.6
116.03449	1.3
117.01851	4.6
117.07002	1.1
119.08601	1.8
120.03244	1.0
120.05737	1.3
126.05525	4.4
127.03921	47.0
129.01811	2.5
130.29141	0.9
131.08632	2.0
135.08072	10.4
142.33713	1.0
145.04967	26.0
145.07532	1.2
147.02869	1.6
159.02888	17.7
163.07556	37.9
164.07892	1.2
167.07051	13.8
175.07350	1.0
176.05652	1.4
180.07874	2.8
181.31816	1.0
187.07536	2.9
189.03934	2.0
189.09090	1.1
192.07889	1.2
193.08728	1.1
195.10176	100.0
196.10513	2.4
197.09497	1.1
205.08624	2.8
207.10185	3.8
213.03914	3.2
219.10217	1.4
230.06601	2.1
231.05035	10.2
235.09532	1.2
237.11284	2.7
248.07744	6.1
251.28215	0.9
266.08664	1.7
285.11172	2.3
296.07138	1.0
303.12167	1.9
397.53473	1.0
416.24167	6.7
460.27600	5.9
461.20084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	80.2
63.43764	31.8
68.06004	42.9
69.07056	40.5
71.45974	31.6
81.07038	45.6
91.05466	44.8
95.08647	35.1
98.22942	43.2
125.09615	40.0
127.09654	38.7
137.05943	42.0
137.78226	34.0
151.07516	100.0
152.08221	38.2
165.28287	38.7
176.79903	37.6
195.26997	34.4
434.05609	40.8
460.37778	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85664	3.5
56.96560	8.0
60.82487	3.6
63.66728	3.2
63.68268	3.2
67.05499	8.2
69.07058	9.8
69.50803	15.6
81.07050	8.7
88.55193	3.7
95.08635	4.1
101.31079	3.7
102.92594	5.1
110.78293	3.2
118.92072	10.3
119.08574	6.7
136.93147	17.8
150.94630	7.0
154.94144	22.2
162.86501	3.5
168.95741	35.2
172.95216	24.4
173.09564	4.2
177.95889	4.1
186.96782	100.0
190.96289	5.9
204.96027	6.6
204.97844	59.2
209.98355	11.4
210.96794	5.3
224.98355	19.8
227.99612	4.4
228.97795	5.9
242.99422	21.2
266.01117	4.7
311.18790	4.9
326.57999	3.9
405.17078	6.9
443.18594	11.3
447.18335	32.0
461.20306	78.9
461.30865	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37325	1.0
56.96563	9.1
58.13370	0.9
67.05509	1.0
69.48919	3.9
79.05468	1.4
93.07016	1.3
114.12770	1.2
126.96468	0.9
128.98627	1.1
171.03284	1.3
185.04704	1.4
199.06425	1.5
201.04433	1.1
203.05785	1.4
211.06505	1.3
213.07901	1.2
217.07466	2.4
229.07486	7.7
243.09068	2.7
247.08569	3.4
267.09042	1.9
269.10690	1.9
289.11026	3.3
291.09616	1.0
291.12662	2.7
307.12134	5.0
340.88440	1.0
347.81638	1.0
399.21777	1.6
407.18921	1.5
425.19876	5.8
443.20792	23.9
444.21371	1.3
461.22583	100.0
462.23019	6.1
484.23514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02761	0.7
53.03939	1.3
53.33516	0.6
55.01866	1.5
55.05511	5.9
56.65859	0.7
57.03451	1.0
57.07035	0.8
67.05498	2.9
69.03434	5.6
69.06710	1.0
69.07066	13.4
69.57054	1.8
69.57446	1.6
70.06585	1.1
71.04990	3.1
79.05495	3.7
81.03414	2.9
81.07056	11.4
83.08616	7.7
85.02412	0.8
85.02908	9.8
85.06544	2.5
87.00825	3.6
91.05482	2.7
93.07047	10.8
95.04928	0.6
95.08606	27.6
95.09212	1.5
97.02886	3.9
97.10175	4.2
98.23431	1.7
99.04483	1.3
99.08096	20.2
103.05460	0.8
105.01862	6.0
105.07018	2.9
107.08593	29.4
109.02868	1.3
109.10151	6.4
111.08072	7.8
111.11696	0.9
113.09641	1.7
114.12774	1.4
118.63249	0.7
119.08576	1.5
121.10144	50.7
121.27316	0.6
125.09627	5.5
127.03897	4.9
128.37030	0.7
133.10092	0.7
135.11690	9.6
137.13263	6.2
139.11130	0.8
145.04964	2.3
149.13303	3.3
157.66312	0.7
177.16382	100.0
178.16722	2.5
195.17436	23.2
213.18494	39.1
214.18864	1.2
231.05028	1.0
456.88147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
63.05396	0.6
67.05502	2.5
69.03416	0.6
69.07062	1.8
69.09171	3.7
79.05479	1.4
81.03397	0.7
81.07044	2.5
83.04980	1.2
83.08621	0.7
84.08141	1.0
85.02908	1.3
91.05428	0.8
93.07037	1.8
94.48684	0.5
95.04953	1.7
95.08606	1.9
97.02903	0.7
97.06521	1.1
98.23489	1.2
105.07039	1.6
107.08604	1.7
109.06475	0.6
109.10155	1.7
110.07183	0.6
111.11744	0.7
117.07050	1.0
119.08546	1.1
121.10128	1.1
123.11729	0.7
131.08586	0.9
133.06154	0.6
133.10129	1.3
136.06187	5.5
151.07578	1.7
155.08563	0.8
176.09239	1.0
181.06470	0.7
183.08064	0.7
194.11812	1.3
195.08018	0.8
209.06001	1.4
210.14882	1.4
211.07469	1.1
212.08347	0.7
212.12845	1.1
221.05853	0.8
222.06734	1.6
223.07498	1.9
224.08348	1.4
225.05466	2.0
225.09059	0.8
234.06700	0.6
235.07619	1.6
237.05511	2.0
239.06976	2.0
239.10899	0.7
240.07857	2.9
241.08562	0.9
243.06624	0.6
243.10115	6.3
247.16867	1.1
249.05489	0.7
250.06247	1.6
251.07098	2.2
252.04259	1.2
252.07805	4.4
253.04945	5.3
253.08513	0.8
254.13936	2.7
255.06676	1.0
255.10168	2.2
257.07974	1.2
263.06882	0.8
264.07831	1.2
265.05038	2.1
265.08600	1.2
267.06851	4.9
267.10080	6.6
268.07327	8.9
269.08035	0.8
277.05243	0.6
278.05856	0.8
279.06311	1.5
280.07330	2.6
281.04456	7.4
281.07721	1.1
282.04865	0.7
283.09598	1.0
291.02826	0.9
293.04446	1.7
293.08133	2.3
293.21164	1.6
295.06088	2.9
295.09695	5.0
296.06808	9.2
297.07455	1.2
300.06259	2.6
307.02527	0.8
307.06137	1.7
308.03293	1.0
308.06696	1.2
309.03949	8.1
309.07324	1.2
311.09158	11.1
317.17130	2.7
318.15503	0.9
321.04013	1.2
321.07565	0.7
322.04651	0.8
323.05505	9.1
323.09201	2.4
324.06302	2.6
328.05826	3.0
336.06274	1.6
337.03415	18.9
337.07214	1.5
338.04028	1.0
339.08624	21.5
349.07385	0.9
351.04956	1.3
351.08694	8.2
352.05734	18.4
359.02917	0.7
367.08118	62.2
368.08524	1.9
380.05258	0.9
385.09113	3.7
395.07623	100.0
396.07944	3.1
417.24710	1.2
427.10239	36.0
428.10568	0.9
429.09607	0.7
444.26797	0.9
445.11163	2.3
461.27295	1.3
462.27304	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32975	0.6
53.03941	0.9
53.33443	0.6
55.01861	1.3
57.06449	0.6
69.03415	2.4
69.69476	0.8
69.69849	1.1
70.06620	0.7
73.02913	1.1
73.04745	1.7
73.51902	0.5
73.94854	0.6
77.09273	0.5
81.03410	2.3
85.02900	6.3
86.09702	0.8
87.00847	3.3
91.05839	1.6
95.04955	1.0
97.02892	4.8
98.22746	1.3
99.04438	1.3
105.01847	2.0
105.07037	0.7
109.02866	2.3
115.03931	1.9
123.04420	1.6
127.03933	5.3
137.27882	0.7
140.04677	13.3
145.04942	1.8
151.07579	1.3
155.07028	25.6
156.07315	0.7
159.02904	1.2
167.05530	1.1
173.08098	1.3
177.05455	2.4
178.05659	0.7
193.12375	0.7
197.08083	100.0
198.08426	2.8
201.05481	0.9
231.04936	1.1
359.02841	2.0
429.08838	1.1
463.21500	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01881	1.3
57.03439	1.1
61.02939	0.8
69.03424	3.1
69.78333	1.3
69.78725	1.3
73.02919	0.9
73.04748	1.2
73.88672	0.6
81.03413	1.9
85.02904	5.8
86.00406	0.6
86.09726	1.2
87.00829	2.5
91.05407	0.9
91.05849	1.0
95.04993	0.8
97.02919	4.8
98.22746	1.4
99.04446	0.8
99.74933	0.7
102.32201	0.7
105.01875	2.0
105.03413	0.8
105.07062	0.8
105.24462	0.7
109.02864	2.4
115.03939	2.0
121.02898	0.8
123.04455	1.1
127.03913	4.2
131.08647	0.7
137.05998	1.6
140.04684	14.7
140.07930	0.8
141.05046	0.7
141.59814	0.7
145.04935	2.4
155.07036	24.2
159.02934	0.7
161.06001	0.7
167.05553	1.4
173.08101	2.1
173.12778	0.8
177.05415	1.6
178.05855	1.0
179.06845	0.8
197.08098	100.0
198.08444	2.0
226.46439	0.8
291.19846	0.7
359.02856	2.3
429.09253	0.8
463.21460	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05506	2.4
61.02943	1.5
65.03963	1.8
67.05505	3.9
69.03420	11.0
69.11547	10.8
71.04973	3.3
73.04761	2.4
77.76254	1.3
79.05495	4.0
81.03413	3.8
81.07064	4.3
83.04958	3.9
84.08145	2.2
85.02914	14.1
86.09701	5.3
87.00797	1.8
87.04451	1.8
91.05418	4.4
91.05848	4.7
93.07055	10.0
95.04961	7.0
95.08611	4.8
97.02901	5.9
97.06523	2.5
99.04471	2.6
99.13425	1.3
105.07017	12.7
107.04945	1.5
107.08585	9.1
109.02915	3.8
109.06496	7.7
109.10164	3.0
111.04476	7.0
113.06025	2.6
117.07056	2.4
119.08582	21.3
121.02887	3.2
121.06499	6.3
121.10143	5.2
123.08092	4.0
124.04010	1.5
127.03922	3.9
128.06195	1.5
131.08554	9.6
133.06467	3.7
133.10150	5.4
135.08063	8.3
135.11765	1.6
136.07541	2.2
137.09625	3.0
139.03896	1.9
141.06960	1.5
142.07831	2.5
143.08548	4.5
145.02844	2.0
145.06532	2.1
145.10110	8.3
147.04399	1.8
147.08049	7.2
147.11687	2.5
149.09613	13.1
151.07558	2.9
155.08554	1.6
155.10709	1.8
156.09346	3.4
157.10150	5.8
158.07323	3.0
159.08047	8.1
159.11597	7.3
161.09613	10.3
165.09148	4.3
167.05516	3.3
167.10739	3.8
168.09389	3.2
171.08066	2.4
171.11662	3.1
172.08813	3.1
173.09642	4.4
173.13275	5.4
175.07520	12.9
175.11140	3.2
177.05458	2.4
179.10706	2.6
181.10149	3.5
183.11667	2.7
187.11174	8.4
189.09116	7.7
189.12704	1.8
193.08629	2.8
196.08812	3.5
197.11781	13.4
199.11182	23.5
201.12733	7.8
203.10707	6.1
207.10156	6.4
211.11165	6.3
217.12244	16.8
219.13834	3.5
229.12257	9.5
235.13280	4.1
247.13278	65.4
248.13678	2.2
265.14331	100.0
266.14651	3.8
283.15457	5.1
283.52380	1.5
287.05435	4.4
301.03412	2.4
359.02753	4.5
404.64810	1.6
429.08755	2.6
461.35568	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05486	0.6
67.05471	0.8
69.07033	0.7
69.17751	0.3
69.54352	1.3
70.06570	0.4
75.04458	0.4
79.05441	1.0
81.07010	1.2
83.08607	0.3
85.02401	0.3
85.02881	1.7
91.05431	0.5
93.07021	0.7
93.28765	0.3
95.08578	0.6
98.23458	0.8
102.68113	0.3
105.06963	0.9
107.08533	0.6
109.06451	0.5
109.10109	0.6
119.08556	0.7
121.09975	0.4
124.90894	0.3
131.08493	0.4
133.10094	0.7
135.11606	0.3
136.06181	0.6
137.05951	0.8
137.51913	0.3
145.10048	0.4
149.02298	0.6
151.07515	1.5
172.05179	2.7
177.09033	0.4
187.07457	0.6
189.06902	0.3
190.07733	0.4
191.10614	0.6
192.10954	0.4
195.07967	0.9
199.07475	0.4
202.07794	0.6
203.08427	0.5
205.06493	0.9
206.07150	0.6
207.08049	1.2
208.08813	0.5
214.06245	1.2
215.06943	1.1
217.06422	0.5
218.07239	0.8
219.07988	2.3
220.08786	0.8
221.05910	0.9
221.09491	0.6
222.06743	0.9
222.10292	0.5
223.07500	1.6
224.08272	0.6
229.08589	1.2
230.07211	0.7
230.09357	8.4
231.08015	0.9
232.08846	0.4
233.05946	1.2
233.09596	1.1
234.06789	2.0
235.07565	4.7
236.04544	0.4
236.08163	0.9
237.05489	0.5
237.09056	1.2
238.09840	0.9
239.06929	0.5
246.06708	1.0
247.07495	4.3
247.09764	0.6
248.08257	3.3
249.05411	1.1
249.09081	3.6
250.06209	2.1
250.09789	1.6
251.07013	6.9
251.09932	0.6
251.10687	0.6
252.07556	0.6
253.08583	1.8
257.04883	0.3
257.08035	1.2
259.07529	0.9
260.08340	0.7
261.05432	1.2
261.09106	2.1
262.06247	3.0
262.09796	0.6
263.07022	6.5
263.09952	0.6
264.04996	0.5
264.07791	2.8
265.05420	0.5
265.08600	4.7
266.05832	2.9
266.09088	2.0
267.06406	1.0
267.10135	1.1
274.06073	0.6
275.07004	7.8
276.04849	0.5
276.07751	2.7
277.05035	1.1
277.08545	7.3
278.05725	1.6
278.09329	4.3
279.06488	12.1
279.10034	2.7
280.07178	1.9
280.10831	0.7
281.08160	1.7
281.11676	1.4
282.08807	0.3
283.09662	0.4
288.07935	0.5
289.05191	0.7
289.08548	2.2
290.05698	2.5
290.09329	2.4
291.06534	5.4
291.09970	0.9
291.19559	0.5
292.07196	2.0
293.04745	0.7
293.08069	12.2
293.11490	1.2
294.05432	0.5
294.08734	4.5
295.06036	0.9
295.09579	1.5
296.10324	1.1
303.06555	1.3
304.07193	2.4
305.04437	0.6
305.04980	0.3
305.08035	14.6
306.05362	1.0
306.08798	19.0
307.05945	6.3
307.09604	7.3
308.06729	3.0
308.10388	13.1
309.07526	3.1
309.11121	22.7
310.08224	0.4
310.11523	0.8
311.09064	1.0
319.05936	1.5
319.09625	5.3
320.06750	0.6
320.10208	0.4
321.03931	0.5
321.07532	6.9
321.11237	2.0
322.08356	4.9
323.05594	0.6
323.09116	3.4
324.06345	0.8
324.09845	8.3
325.10410	0.5
332.06665	1.2
333.07550	4.6
334.08304	15.0
335.05402	1.0
335.09052	2.4
336.06134	0.4
337.10663	24.0
338.11261	3.3
339.08533	6.8
339.12299	8.4
340.12711	0.5
347.09064	2.9
348.09869	0.6
349.06918	1.2
350.07797	5.5
351.08630	1.5
352.09326	3.6
353.10016	1.0
360.07617	0.4
365.10193	14.5
366.10617	0.5
367.08105	1.9
368.08804	0.5
382.10434	8.8
383.11218	100.0
384.11526	4.1
419.08005	0.7
426.57263	0.3
433.86768	0.3
462.31961	1.2
463.06900	69.6
464.07162	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
56.96565	24.4
57.56464	0.4
67.18327	0.4
70.98112	1.5
71.95267	1.5
81.07077	0.5
91.05511	0.4
98.97582	73.1
113.00000	0.6
113.79054	0.4
116.98620	51.9
128.48981	0.4
134.99652	24.2
140.00204	4.9
151.07532	2.1
153.00723	3.4
153.01767	0.5
158.01256	3.5
181.08598	1.5
321.04303	0.7
347.09158	0.4
349.03674	0.7
363.05508	0.7
365.03311	1.6
366.04166	0.9
367.05023	0.9
377.03412	1.1
379.04813	0.9
381.06644	0.8
383.04272	1.2
391.04822	2.9
393.02609	1.0
394.03354	1.0
395.04193	2.6
397.05981	1.3
399.07373	0.7
405.03098	0.5
407.04019	0.6
409.05951	7.6
411.02948	0.5
411.07550	1.2
413.05646	0.7
415.06931	1.4
419.04440	1.3
423.03928	5.7
424.04633	1.2
425.09085	1.3
427.06995	26.0
428.07355	0.9
432.07779	1.0
433.06268	0.5
434.62262	0.5
441.05026	3.4
445.08215	0.8
447.03915	2.1
448.04346	1.2
450.08624	1.7
451.07104	3.7
463.06979	100.0
463.26569	1.6
464.07294	4.9
465.04910	1.1
469.08218	0.7
481.08038	25.4
482.08142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0871
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03437	0.2
61.02910	0.2
67.01855	0.5
67.05486	0.3
68.99799	0.4
69.03432	0.3
69.07060	0.1
70.06590	0.4
70.35585	0.2
71.05000	0.2
72.08150	0.2
73.04750	0.2
79.05472	0.2
81.03404	0.2
81.07036	0.2
85.02918	0.7
86.09707	0.2
89.03937	0.2
91.03916	0.1
91.05431	0.2
93.07059	0.2
95.04939	0.1
97.02899	0.3
103.05453	0.4
105.07055	0.2
107.04973	0.1
107.08556	0.1
109.02917	0.1
109.10165	0.2
110.07183	0.3
117.03390	0.3
119.08612	0.1
121.10100	0.2
127.03929	0.2
129.01859	0.2
131.04919	0.8
134.21992	0.1
135.04414	1.7
135.11674	0.1
137.02342	0.5
137.05954	0.1
145.04980	0.1
145.10123	0.2
147.04480	0.1
151.03943	0.2
153.01828	5.0
153.03081	0.3
155.10606	0.2
161.02324	0.5
162.10229	0.2
163.07538	0.2
163.11180	0.2
171.02890	0.4
179.03395	0.3
191.10464	0.1
213.05492	0.1
219.06572	0.1
234.14911	0.1
235.11931	0.5
241.04971	0.5
260.93155	0.1
269.04440	0.3
283.15421	0.2
287.05484	100.0
288.05814	4.0
317.06583	0.4
398.73953	0.1
427.23514	0.1
445.24716	0.2
463.08652	3.5
463.14008	0.1
463.20508	1.7
463.26822	0.3
464.08682	0.1
488.39749	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03445	0.8
61.02917	1.0
67.05495	1.1
69.03399	0.7
70.06583	1.0
70.61607	0.8
70.61988	1.1
81.03384	1.3
85.02918	3.6
86.09703	1.1
91.05484	0.9
93.07031	0.8
94.38655	0.8
97.02884	1.5
109.02883	1.5
121.02811	1.8
121.10108	0.9
127.03983	1.1
137.02400	1.0
141.01796	1.2
149.02271	0.8
149.05977	2.0
151.03915	4.4
165.01819	10.8
167.03435	1.8
175.03911	2.5
183.02927	2.4
189.01738	0.8
195.02849	1.4
205.04892	0.9
215.03302	0.7
217.05064	1.0
233.04546	0.9
243.02725	0.8
243.06454	1.2
245.04349	1.2
257.04599	0.8
261.03891	0.7
268.07129	1.2
270.05179	2.8
271.05920	2.7
273.03842	1.0
282.05203	5.2
286.04742	1.7
291.86356	0.7
296.06778	8.3
297.07587	3.6
298.04706	18.6
299.05301	1.0
300.06345	5.9
301.03461	3.4
301.07047	6.9
307.50766	0.8
309.07419	1.4
310.04663	5.5
310.08292	4.0
311.09128	5.6
312.06418	1.3
313.07034	100.0
314.07718	9.0
320.06747	1.1
322.04800	1.3
324.02744	1.6
324.06216	10.7
325.07169	8.0
325.10645	1.8
327.05103	1.5
327.08636	2.8
328.05753	15.5
335.09045	1.2
336.06250	2.7
337.07086	2.3
338.07806	7.0
339.04965	1.7
339.08606	16.5
341.06500	1.3
343.08121	74.8
344.08438	2.4
348.06195	1.9
351.08557	1.0
352.05832	1.6
353.06241	1.6
353.10199	15.5
355.08072	0.8
363.08539	2.6
364.05707	1.5
366.07358	1.5
367.08124	42.8
368.08588	2.1
376.05560	1.8
379.08084	13.1
381.09625	3.2
391.08063	8.9
394.06906	1.9
397.09143	30.9
398.09344	1.4
409.09122	22.5
410.09329	1.0
427.10248	26.3
445.11340	21.4
463.12122	7.5
463.21213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
53.03947	0.6
53.42105	0.5
57.03422	0.8
67.05502	0.9
69.03408	0.6
69.07079	0.5
70.06607	2.7
71.05006	0.5
72.08147	1.0
73.04768	0.7
76.40858	0.5
81.03413	3.6
81.07043	1.0
83.06098	0.6
85.02911	1.6
85.51808	0.5
86.09690	0.9
87.80000	0.5
91.05448	1.1
93.07034	1.0
95.04974	1.3
97.02886	1.1
105.07046	1.2
107.08571	0.6
109.02866	0.9
109.10158	0.6
110.07163	3.0
119.04944	0.8
120.08080	0.7
121.02857	4.9
121.10191	0.6
124.75063	0.5
131.08588	0.8
133.02837	0.6
135.04439	2.5
137.02359	3.6
137.05957	1.7
139.03888	0.6
145.10118	0.5
149.02318	2.9
151.03925	0.9
151.07407	0.6
151.86334	0.5
155.03285	0.5
161.02345	3.7
162.10271	0.8
163.03992	0.9
167.03400	1.7
167.05634	0.6
169.05019	0.5
177.05359	0.7
179.03416	6.0
179.04852	0.9
181.04929	1.9
181.71349	0.5
190.02609	0.8
191.03391	1.7
197.04434	2.1
205.05040	0.7
209.04466	1.4
219.06534	2.0
229.04979	1.0
235.11911	2.5
242.01756	0.5
255.06425	1.1
257.04449	1.4
267.06366	0.7
270.05304	1.2
271.06046	1.8
275.05777	0.6
283.05994	21.6
283.15323	1.0
284.06512	1.2
285.07474	2.6
291.61435	0.6
295.05939	2.5
296.06833	1.3
297.04413	0.5
297.07623	1.6
298.04712	2.1
299.05533	1.7
300.06332	3.1
301.06989	4.1
308.06635	0.6
309.07382	1.1
310.04755	3.3
311.05414	1.6
311.08823	0.9
313.07047	100.0
314.07468	5.1
320.06833	0.8
322.08380	1.0
323.05423	3.3
323.08936	0.9
324.06351	9.8
325.07077	4.7
327.08612	2.3
335.09073	1.2
337.07007	1.9
338.07831	3.3
338.21179	0.6
339.08636	22.5
340.08911	0.8
343.08118	39.4
344.08453	0.8
351.08615	1.6
353.06189	1.1
353.10220	13.9
363.08456	2.7
365.06589	0.6
367.08121	31.1
368.08414	1.4
376.05591	0.9
379.08099	6.8
381.09726	2.2
391.08099	10.8
397.09204	16.3
398.09671	0.8
409.09167	16.9
427.10239	20.4
428.10480	0.7
445.11307	8.0
445.24634	0.9
446.11411	0.7
463.25812	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.59172	0.1
71.17166	0.2
81.07079	0.2
85.02878	0.2
87.20483	0.1
91.05440	0.2
93.06989	0.1
97.02861	0.2
99.42752	0.1
100.11268	0.2
105.06997	0.3
126.31743	0.1
137.06015	0.2
145.38455	0.1
153.01854	0.3
184.73361	0.2
185.13292	0.1
188.11681	0.1
229.04874	0.2
257.04477	0.2
258.05240	13.2
259.05673	0.4
260.04126	0.1
272.84647	0.1
286.04727	34.9
287.05151	0.8
301.07074	100.0
302.07410	3.0
350.51266	0.1
463.12137	1.0
463.32523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	7.1
69.76284	19.2
81.07050	7.4
95.08588	7.8
113.00053	8.5
127.55010	4.7
168.95699	11.4
169.02592	6.1
186.96828	20.2
204.97804	8.5
242.99417	7.4
276.47989	6.1
327.45010	4.9
449.19547	7.6
463.22034	100.0
464.21930	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
52.03192	0.1
53.03930	0.1
53.16571	0.1
54.68664	0.1
55.01839	0.1
56.46449	0.1
61.61549	0.1
64.03155	0.1
65.03917	0.5
66.04708	0.3
67.05492	0.4
69.39313	0.4
73.98562	0.1
75.04467	0.6
77.03922	0.4
78.04687	0.7
79.05488	1.6
80.06258	0.8
81.03420	0.2
81.07033	0.2
89.03908	0.4
90.04688	1.0
90.74934	0.1
91.05471	4.6
92.06261	0.2
93.03409	0.2
93.07028	0.7
94.04200	0.1
95.04965	1.0
98.23464	0.2
103.05451	0.9
104.06209	0.1
105.03386	0.6
105.04507	0.2
105.05486	0.2
105.07023	1.0
106.04163	1.0
107.04945	8.3
107.33878	0.1
108.05733	3.8
109.06528	0.9
110.07259	0.1
113.26867	0.1
115.05431	0.6
117.07014	0.9
118.04140	0.7
119.04935	0.4
119.06064	0.3
119.08559	0.2
120.05726	0.5
121.02821	0.3
121.06506	2.5
122.03633	0.2
122.07301	0.2
123.04431	0.9
123.08064	0.7
124.05170	0.2
128.06203	0.3
129.07010	0.3
131.04903	1.1
131.08577	0.3
132.05719	0.3
133.06479	1.7
134.03613	0.3
134.07239	0.1
135.04401	3.1
135.08029	1.4
136.05185	5.9
137.05968	3.0
138.06752	1.8
139.07533	0.5
141.07005	0.1
142.07808	0.2
143.04927	0.2
143.08554	0.3
144.05695	0.3
145.06464	1.7
146.07274	1.4
147.04356	0.5
147.08035	2.3
148.05176	7.8
148.08817	0.1
149.05989	0.9
149.07068	0.1
149.09587	0.4
150.06731	1.1
151.07527	100.0
152.04706	0.1
152.07852	2.1
153.05458	0.3
153.09067	0.4
154.06285	0.1
156.05638	0.1
157.06451	0.5
158.07207	0.6
159.08038	1.3
160.05174	0.3
160.08818	1.1
161.05969	3.5
161.09593	0.7
162.06781	0.6
163.07526	4.7
164.08304	0.9
165.05438	1.1
165.09093	5.3
166.06244	10.5
167.03258	0.1
167.07042	2.8
168.07774	0.4
169.08620	0.2
170.07227	0.1
171.08041	1.1
172.08827	1.0
173.05984	1.3
173.09532	0.5
174.06770	1.2
174.10315	0.2
175.07526	1.6
176.08311	2.8
177.05556	0.3
177.09097	9.5
178.09763	0.4
179.07031	0.8
179.10643	1.6
180.07817	0.8
181.08575	59.0
182.08951	1.5
183.10095	0.2
185.09610	0.3
186.06760	0.2
186.10419	0.9
187.07500	1.6
187.10965	0.1
188.08313	2.7
189.09081	3.5
189.10822	0.2
190.09845	1.3
191.07033	0.6
191.10651	4.6
192.07756	0.4
192.11115	0.1
193.08582	3.0
194.09375	0.5
195.10136	2.2
200.08199	0.2
201.09087	1.6
202.09869	2.6
203.07011	0.4
203.10652	4.9
204.07863	0.2
204.11272	0.2
205.08575	0.9
205.12282	0.3
206.09320	0.4
207.10147	2.7
208.10811	0.1
209.11604	0.4
215.10670	0.3
216.11407	1.1
217.08652	0.4
217.12206	4.5
218.09393	0.3
218.12532	0.2
219.10143	0.7
221.11691	2.0
229.12093	0.1
231.10225	0.2
232.10913	0.2
233.11682	1.6
235.13211	0.4
247.13252	1.8
251.12724	0.2
263.10663	0.1
279.13730	0.1
290.12958	0.1
291.10358	0.1
293.15329	0.2
307.13339	0.2
311.16559	0.2
321.14798	0.4
322.15659	0.3
323.16461	0.3
325.14529	0.1
325.18369	0.1
338.15280	0.3
339.15860	0.5
340.16397	0.2
351.25415	0.1
353.17447	1.3
354.18198	3.3
355.15210	0.3
355.18930	0.4
370.17712	13.7
371.17960	0.7
383.18384	0.2
385.20044	11.0
386.20511	0.6
388.18494	0.1
403.21188	1.2
404.21490	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24763	1.4
55.01867	4.3
55.05505	13.9
57.03423	6.7
57.07064	2.5
67.05502	37.3
69.07063	11.4
70.00051	3.7
71.04971	1.9
71.08627	38.9
78.53629	1.4
79.05493	29.4
81.03411	5.9
81.07054	35.9
82.28419	1.5
83.04966	6.3
83.08598	7.9
85.06534	2.9
91.05474	21.9
93.07041	38.5
95.04957	6.8
95.08598	21.8
97.06538	11.2
97.10168	3.2
97.35960	1.4
99.08089	27.7
103.85652	1.3
105.07027	19.3
107.04957	6.5
107.08591	21.1
109.06506	3.1
109.10124	7.7
111.08032	2.0
113.00013	100.0
113.09628	2.0
117.07014	4.2
119.08574	10.8
120.85679	1.4
121.10152	16.4
123.08031	2.9
123.11671	1.9
129.06953	2.1
131.08533	4.4
133.10132	9.8
135.08133	1.7
135.11685	18.5
137.09579	1.7
143.08539	1.7
145.06487	1.5
145.10092	6.6
147.11687	5.2
149.13290	5.3
151.07561	5.2
151.11156	16.0
153.09187	2.0
159.11696	3.2
161.13264	12.8
163.11185	8.9
169.02602	46.1
171.11649	1.7
175.11317	1.7
175.14737	2.5
177.12749	2.6
179.14305	66.7
180.14526	1.8
181.08691	2.1
185.13258	2.3
187.03680	9.5
189.12830	2.5
231.21040	2.8
235.16901	2.9
241.19484	4.0
259.20554	9.4
277.18591	3.0
277.21616	54.5
278.21851	2.0
333.23926	1.8
347.16272	8.0
351.25281	92.1
352.25565	5.5
405.10706	1.8
444.78149	1.5
445.23602	14.1
463.14053	3.9
463.30576	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.303
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
50.74656	0.3
55.05526	0.3
57.50176	0.3
64.94804	0.3
67.05492	0.8
67.06756	0.3
69.69228	0.5
69.69617	0.6
71.08616	0.3
73.53137	0.3
79.05490	0.3
81.07074	0.4
84.41689	0.3
93.07038	0.5
95.04980	0.4
95.08578	0.4
97.06553	0.4
107.08523	0.4
113.00014	1.5
116.25434	0.3
165.30623	0.3
169.02657	0.5
179.14226	0.6
199.89503	0.3
205.85226	0.3
259.20239	0.4
266.87402	0.3
277.21652	0.8
293.06873	0.3
351.25104	1.4
445.29449	0.5
463.30286	100.0
464.30618	5.9
464.36780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3035
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
52.30766	0.2
67.05524	0.4
69.07093	0.2
71.08630	0.3
79.05494	0.5
81.07055	0.6
87.09605	0.2
91.05482	0.4
93.07054	0.5
95.08614	0.3
105.07064	0.3
109.10189	0.2
113.00008	0.7
121.16833	0.2
151.07542	0.5
153.18190	0.2
165.09183	0.2
169.02640	0.3
179.14322	0.5
181.08659	0.4
221.66847	0.2
236.68315	0.2
277.21729	0.4
351.25351	0.9
409.95602	0.2
445.29568	0.3
454.02011	0.3
463.30319	100.0
464.30682	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03436	35.5
59.04993	1.3
59.61599	1.1
59.66473	1.4
61.02923	10.6
65.03933	2.3
69.03426	37.0
70.06573	1.5
71.01357	4.3
73.02916	69.2
74.03267	1.2
79.05485	2.6
81.03413	5.7
81.07052	2.4
82.77625	1.3
85.02902	46.0
86.09699	1.7
87.04453	4.1
91.03959	1.4
91.05465	2.9
95.04980	3.0
97.02892	56.4
99.04458	1.3
103.05452	1.4
105.07024	3.0
109.02877	3.5
110.07142	2.2
115.03928	55.8
120.01163	1.2
120.08102	2.7
121.02868	60.8
127.03918	18.3
131.04910	1.5
133.04962	19.9
134.08162	1.5
137.05966	32.4
145.04944	17.0
147.04398	2.0
149.05948	2.0
153.05466	100.0
154.05722	1.8
161.05965	1.8
163.06038	5.5
163.07370	1.4
163.11235	1.7
163.37256	1.3
193.04915	1.3
213.64784	1.4
223.06116	4.3
241.07037	6.2
249.14999	2.1
259.08215	3.3
267.16174	1.9
285.16891	2.9
290.14505	1.5
303.04971	8.9
361.02472	1.3
464.21625	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01874	2.3
57.03441	4.7
60.04535	0.8
61.02926	7.6
69.03436	16.7
69.44900	2.4
70.06588	1.9
71.04995	2.4
73.02922	4.5
79.05508	1.1
81.03423	6.2
81.07082	1.1
84.08172	0.7
85.02911	100.0
86.03253	0.8
86.09721	1.3
87.04478	2.1
91.03960	4.9
91.05486	2.2
92.77481	0.7
95.04982	1.4
97.02899	26.2
98.03235	0.6
98.06026	0.7
99.04464	3.9
103.03971	0.9
105.03423	1.2
105.07030	7.0
109.02889	8.1
115.03939	2.0
119.04970	2.4
120.08131	1.3
123.42962	0.7
127.03923	27.3
129.06972	0.7
131.04958	0.7
133.04994	0.9
133.06487	1.2
134.72240	0.6
135.04428	21.6
137.06006	2.5
145.04970	53.8
147.04436	1.0
147.07985	1.3
149.05981	1.3
151.07573	1.9
161.05937	1.2
163.06027	27.4
175.07475	1.2
179.07036	0.9
189.09088	1.2
231.10196	2.2
243.08766	2.8
244.09615	1.6
249.11295	1.5
267.12305	0.8
285.13379	3.9
323.48386	0.8
325.11325	2.1
378.15634	1.2
464.25336	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01879	2.5
57.03438	4.5
61.02927	7.8
68.05008	0.5
69.02341	0.5
69.03431	15.9
70.06590	1.0
71.04977	1.4
73.02921	3.3
79.05482	0.6
81.03415	6.6
84.08141	1.2
85.02902	100.0
86.03246	0.7
86.09693	1.0
87.04459	2.5
91.03957	5.9
91.05463	1.1
93.07045	0.9
95.04977	1.1
97.02892	23.3
99.04437	4.3
101.02408	1.0
103.03963	0.5
103.05460	1.4
105.07037	3.4
109.02886	7.0
110.07160	0.8
115.03923	1.3
116.07058	0.6
119.04947	0.9
119.08571	0.7
120.08133	1.3
121.06481	0.9
121.10136	0.7
127.03909	23.8
129.10274	0.7
131.04932	3.7
133.06470	0.6
134.08134	2.4
135.04422	1.0
135.08049	0.6
137.05995	1.9
139.64720	0.5
140.05672	0.5
145.04953	52.2
146.05273	0.7
147.08031	0.8
149.05988	0.8
155.06960	0.7
161.06073	1.0
162.06743	0.8
163.06026	24.3
163.07478	2.4
177.05533	0.6
180.08713	1.0
189.09108	0.7
193.12367	0.6
197.08167	1.7
198.08395	0.8
199.08682	0.9
203.85301	0.6
210.91934	0.5
230.07376	0.5
231.10112	1.0
249.11353	0.9
267.12250	1.7
267.15784	0.6
285.13312	2.4
285.16922	0.7
303.04980	1.8
325.11356	2.3
464.21506	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70513	1.2
67.05465	1.4
71.61361	1.1
112.99986	1.4
114.38192	1.3
123.04436	2.2
125.11885	1.1
132.06203	1.1
134.09758	1.1
137.05986	1.6
146.07442	1.3
151.07545	4.8
157.06529	1.6
159.08080	2.6
167.07030	4.1
169.06467	2.3
172.08829	5.9
173.06023	3.1
174.10391	4.4
181.04973	1.5
184.08830	5.2
186.58447	1.2
187.07498	1.4
188.08339	16.7
189.09030	3.7
190.09859	1.9
200.08337	2.9
202.56917	1.2
203.10667	21.7
205.12263	6.0
215.10657	11.7
233.11714	100.0
234.12051	3.9
303.04553	1.5
342.35724	1.3
390.83957	1.2
464.29462	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04123	7.2
53.26591	5.9
55.05518	10.2
59.04255	8.6
67.05507	14.3
69.12199	45.1
79.05487	11.6
93.07022	10.2
105.07037	11.5
116.66972	6.6
118.09145	7.2
131.04926	9.9
135.04411	100.0
137.05972	12.9
139.11171	9.3
140.05821	6.8
151.07458	9.2
151.11235	12.3
161.05902	7.6
163.07579	28.7
167.07040	53.3
181.08563	6.5
201.09076	7.8
219.10091	8.6
293.21152	13.6
323.12851	12.3
355.15323	34.2
373.16501	8.7
464.29523	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01871	0.3
57.03422	0.5
61.02926	6.4
65.03926	0.2
67.05486	0.3
68.99791	0.7
69.03435	1.3
69.27160	0.6
69.27557	0.3
69.97670	0.1
71.01341	0.2
71.04981	0.2
72.08146	0.2
73.02927	1.7
73.27048	0.2
78.95537	0.2
79.05502	0.4
80.01668	0.2
81.03406	2.5
83.08595	0.6
85.02899	6.2
86.09693	0.5
91.03957	3.4
91.05471	0.4
93.03373	0.3
93.07037	0.3
95.04949	0.6
95.08643	0.2
97.02888	3.3
98.23393	0.4
99.04452	0.3
101.94636	0.1
103.37831	0.2
105.07046	0.3
107.04941	0.3
107.08569	0.3
109.02864	1.0
110.07124	0.4
110.87894	0.1
111.00807	1.1
115.03903	0.4
119.08589	0.3
120.08095	0.7
121.02853	1.3
123.04445	0.5
127.03937	1.2
129.07028	0.3
131.08519	0.3
133.10143	0.2
135.04469	0.4
137.02339	4.3
137.03360	0.2
145.04944	0.6
145.06413	0.4
147.11708	0.3
149.02353	0.5
149.09695	0.2
153.01836	3.9
155.04939	0.2
157.06409	0.2
157.10173	0.3
161.05954	0.3
163.03915	0.8
165.01826	2.4
166.02664	0.3
173.06003	0.4
175.11230	0.3
177.05432	0.2
177.93558	0.2
183.02914	0.7
183.04414	0.5
187.03900	0.4
191.03436	0.2
193.12202	1.1
194.14993	0.2
195.02895	0.4
195.83836	0.1
201.05450	2.1
205.04996	0.3
211.13350	0.2
219.06454	0.3
228.04147	0.2
229.04970	4.7
239.03458	0.2
247.05995	0.7
257.04440	2.7
267.15860	0.9
274.04752	0.9
285.03882	1.3
285.16946	1.0
299.05457	0.3
302.32874	0.2
303.04968	100.0
304.05273	3.0
313.07104	0.3
314.07388	0.2
315.04523	1.3
315.07721	0.5
327.05002	0.4
341.06473	0.3
345.05875	1.2
355.07758	0.2
369.05499	0.8
429.08102	0.2
447.09192	0.5
465.10074	0.7
465.26721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03438	0.4
60.75233	0.2
61.02923	6.4
68.99783	1.0
69.00113	0.2
69.03426	1.3
70.73847	0.3
73.02931	1.5
81.03412	0.5
83.05949	0.2
85.02905	6.3
86.58174	0.2
91.03960	4.2
95.04964	0.3
96.33560	0.2
97.02896	3.3
99.04452	0.4
109.02869	0.3
109.85510	0.2
110.07161	0.3
111.00791	0.8
115.03941	0.4
121.02891	1.0
127.03957	1.4
135.04549	0.3
137.02341	3.5
145.04962	0.8
149.02339	0.5
153.01822	3.5
161.05922	0.3
163.03879	0.9
165.01810	2.3
166.02652	0.3
168.11842	0.2
173.05946	0.4
183.02904	1.0
183.04420	0.4
201.05513	1.6
219.06598	0.4
229.04942	4.5
235.11874	0.3
247.06044	0.7
257.04462	2.4
274.04703	0.6
285.03964	1.4
303.04974	100.0
304.05298	3.7
465.13608	0.4
465.27127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.98386	0.2
53.03941	0.3
55.01855	0.4
57.03433	0.6
61.02632	0.4
61.02924	5.3
68.99799	0.5
69.03429	1.5
70.06598	0.5
71.04977	0.3
72.08136	0.4
73.02912	1.2
81.03412	1.1
81.07064	0.4
85.02905	7.5
86.09709	0.6
91.03947	3.4
91.05484	0.2
92.36023	0.2
93.07024	0.4
95.04964	0.4
95.08638	0.3
97.02891	4.0
99.04441	0.2
105.06978	0.3
107.08588	0.3
108.24873	0.2
109.02856	0.9
110.07173	0.9
111.00802	1.0
115.03926	0.4
119.08538	0.3
120.08107	0.8
121.02888	0.8
121.06586	0.2
121.10168	0.2
123.04437	0.5
124.65645	0.2
127.03948	1.5
131.08606	0.2
134.08012	0.2
137.02333	3.5
145.04982	1.2
146.06010	0.4
149.02298	0.5
153.01825	4.2
153.07401	0.2
161.05931	0.7
163.03911	0.7
165.01817	2.2
166.02626	0.3
170.73865	0.2
173.06003	0.6
179.03445	0.2
183.02888	0.8
183.04379	0.5
187.03911	0.5
191.03522	0.3
195.02936	0.3
200.71443	0.2
201.05507	2.0
213.05536	0.2
219.06506	0.3
229.02953	0.4
229.04971	3.6
235.11880	0.6
236.12227	0.4
247.05933	0.8
250.19406	0.2
257.04379	2.8
267.15897	0.4
274.04724	0.9
285.03946	1.6
299.05563	0.3
303.04971	100.0
304.05292	3.3
315.04987	0.8
322.21326	0.3
327.04840	0.4
345.05969	0.8
369.06094	0.4
447.09164	0.5
447.26544	0.3
464.25800	1.4
465.09811	0.5
465.27042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1377
Annotation	Keyakinol
Peak:m/z	Relative Intensity
50.83182	0.4
51.75041	0.4
52.71465	0.4
55.23766	0.4
63.71585	0.4
64.90131	0.4
67.05489	0.6
69.07061	0.5
69.33557	1.5
69.33973	0.9
73.87515	0.4
78.90601	0.4
79.05489	0.5
81.07069	0.9
85.02880	0.6
87.04479	0.5
92.79739	0.4
93.07037	0.5
95.08591	0.7
97.02893	0.5
105.07067	0.7
115.68859	0.4
119.08556	0.5
122.16181	0.4
127.00024	0.6
139.98151	0.4
201.05261	1.9
216.07582	19.4
217.08331	7.3
227.05295	1.4
267.15948	0.5
271.04147	2.3
285.17007	0.9
302.08185	1.0
303.05106	0.7
307.06186	0.5
317.06619	0.5
345.09891	2.2
346.07132	0.9
353.28717	0.4
361.09348	0.7
373.09451	0.5
379.13550	3.1
389.08859	0.7
420.10828	1.5
421.14700	23.2
422.14975	0.7
448.10114	2.0
450.11163	0.5
465.13571	100.0
466.13828	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3004
Annotation	Perovskone B
Peak:m/z	Relative Intensity
50.86818	0.7
53.03936	0.9
55.01865	1.2
55.05512	6.1
57.03444	0.9
57.89952	0.8
60.67028	0.8
61.33081	0.8
65.87241	0.7
67.05505	9.5
69.07070	6.7
69.28690	3.6
71.04996	1.0
73.67110	0.8
79.05512	4.9
81.07065	9.3
82.44711	0.8
83.04994	4.4
83.08620	2.5
85.02895	0.8
85.06536	1.7
91.05478	6.9
93.07052	12.4
94.07372	0.9
95.04979	2.3
95.08608	17.5
97.06507	2.0
97.10162	1.0
99.04435	1.0
105.07031	14.2
107.08605	11.8
109.06522	2.3
109.10184	6.1
111.04453	2.4
111.08068	4.0
113.00005	2.0
115.05415	1.1
117.07024	2.8
119.08582	14.9
121.06514	2.2
121.09323	1.4
121.10137	8.5
123.08046	4.2
123.11681	1.1
127.07523	0.9
128.06238	1.8
129.07004	5.6
130.07790	0.9
131.08583	7.6
133.10127	8.4
135.08049	3.1
135.11705	3.8
139.07513	1.9
141.07025	1.7
141.09114	1.2
142.07811	3.9
143.08568	11.2
144.09329	1.2
145.10136	13.2
147.08054	2.1
147.11659	4.4
149.09573	1.6
149.13268	1.0
151.07561	0.8
154.07738	1.0
155.01109	0.9
155.08563	10.0
156.09340	3.5
157.10132	16.0
159.08128	1.5
159.11703	11.0
161.09630	5.0
161.13268	1.4
163.11179	2.5
165.07016	2.0
165.09146	1.4
167.08543	3.2
168.09381	2.6
169.02664	1.4
169.10138	18.0
170.10875	1.5
171.08043	1.2
171.11700	9.7
173.09685	1.7
173.13303	2.8
175.11183	1.7
175.14806	1.2
177.09134	1.3
179.08484	2.0
179.10738	3.3
180.09361	1.5
181.10112	7.8
182.10904	2.3
183.08090	1.2
183.11694	14.2
185.09677	2.5
185.13225	4.9
187.11209	2.8
187.14856	1.0
189.12787	1.2
191.10695	1.3
193.10143	4.1
194.10995	2.3
195.11656	9.6
196.12508	2.5
197.09651	2.6
197.13283	10.6
198.14081	1.2
199.11180	3.4
199.14870	2.6
201.12735	1.6
205.12238	2.1
207.11693	6.0
207.13525	1.2
208.12418	2.3
209.09677	1.3
209.13252	16.2
210.13934	1.5
211.11270	3.3
211.14838	6.7
213.12779	1.8
215.10687	1.2
215.14203	1.0
217.12274	1.8
219.11678	2.1
219.13759	0.9
220.12640	1.0
221.13248	5.5
222.13977	1.9
223.11192	1.9
223.14801	10.3
225.12843	2.5
225.16321	4.2
227.10751	2.9
227.14352	2.0
227.17970	1.2
229.12361	1.4
232.12436	0.9
233.13213	2.9
233.15331	1.5
235.14868	3.2
237.12746	2.3
237.16393	3.3
238.16873	1.0
239.14424	1.7
239.17903	1.2
241.12283	2.6
241.15916	1.1
243.13789	2.0
245.15498	1.4
247.14835	2.8
249.12799	1.5
249.16516	1.8
251.14227	6.1
251.17979	2.7
253.15921	2.3
255.13844	1.8
257.15411	2.0
259.16974	2.7
261.16428	1.4
263.14371	1.8
263.17880	1.4
265.16043	4.4
265.19299	4.2
267.17459	2.0
269.15402	7.0
269.18542	1.4
271.16934	5.9
277.15997	1.7
279.17410	2.3
279.20804	1.0
281.15424	1.0
283.17099	2.2
285.18506	2.9
287.20135	1.7
289.19440	1.8
291.17636	1.2
293.18900	1.1
295.17212	1.2
297.18716	3.8
303.17731	0.9
305.19025	1.7
307.20432	5.8
309.18509	1.2
311.20114	2.0
311.25879	1.4
319.20581	1.4
325.21649	18.0
326.21863	1.1
327.23257	1.4
331.20645	0.9
333.22028	3.0
353.26712	1.1
366.25629	3.2
387.23013	1.4
405.23862	1.4
405.28412	1.3
411.26880	1.9
419.29593	4.4
429.27914	7.2
447.29025	12.1
448.29163	1.0
465.30017	100.0
466.30386	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47799	1.4
55.01879	1.7
55.54153	1.4
57.03438	16.5
59.05003	4.4
60.04522	1.9
61.02930	3.3
64.65311	1.3
66.92772	1.6
67.51998	1.4
69.03425	58.2
69.09695	1.8
69.69595	2.8
69.69987	2.9
70.06575	3.6
73.02920	2.4
73.30895	1.3
81.03403	4.1
84.04491	2.6
84.08154	2.2
85.02899	44.3
87.03914	1.6
87.04458	41.3
95.04964	7.1
97.02883	50.8
98.22772	3.0
102.12811	4.5
107.04939	4.4
109.02867	2.1
110.07214	1.5
112.77842	1.5
114.42036	1.9
115.03926	57.8
121.06480	2.0
123.04415	27.3
124.05204	6.7
126.95541	1.4
127.03912	6.1
130.05020	2.2
130.06514	22.4
133.04953	70.6
136.05217	1.8
137.05978	16.2
140.04691	2.7
140.06815	1.5
145.05023	4.2
147.07646	2.5
147.08859	1.6
149.02335	2.6
150.07610	18.1
151.07533	15.1
152.07048	2.1
153.05438	4.5
155.07016	100.0
156.07524	2.1
161.95988	1.7
163.06044	1.9
163.20601	1.7
164.04666	16.9
165.05498	1.9
167.07042	6.0
168.89099	1.8
169.04990	1.8
172.07552	1.6
177.05405	2.4
179.07021	79.4
182.05782	6.1
191.07048	11.8
197.08104	17.0
206.05791	1.7
221.08098	8.7
233.08072	14.7
241.07188	2.2
251.09140	36.8
259.08176	2.1
265.14636	1.5
277.09460	2.0
281.10297	6.4
287.11502	1.7
304.05356	5.6
304.12817	6.0
381.04993	1.7
466.14645	3.5
466.26920	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
66.43150	0.6
67.55249	0.5
69.23550	1.1
69.23952	2.2
78.04701	1.3
79.05487	1.6
81.07082	0.6
90.04716	0.7
91.05463	3.6
95.04970	0.8
98.23374	1.2
103.05463	3.1
105.07030	1.5
106.04163	1.6
107.04947	6.8
107.38865	0.6
108.05760	2.9
115.05418	0.7
117.07008	1.7
119.04936	0.9
121.06529	2.3
122.03658	0.9
123.04443	3.0
123.08069	0.8
124.05212	1.7
131.04926	2.0
131.08578	1.0
131.17596	0.7
132.11581	0.6
133.06480	2.9
134.03629	0.9
135.04387	1.7
135.08032	1.6
136.05231	3.1
137.05963	11.9
139.07550	1.3
145.06525	1.5
146.07269	3.7
147.04411	1.3
147.08032	1.4
148.05104	0.9
149.06046	1.1
150.06749	2.2
151.07541	100.0
152.04720	3.2
152.07904	1.5
157.06493	0.9
158.07278	1.1
159.08078	1.7
161.06000	1.6
162.06761	1.1
163.07549	17.0
165.09102	5.5
166.06274	1.0
167.07037	53.9
172.08835	1.1
173.05965	1.1
173.09573	1.0
175.07545	2.4
176.08258	0.9
177.09111	17.9
179.07118	1.2
181.08607	7.0
186.10410	0.7
187.07568	2.5
188.08310	2.3
189.09093	2.8
191.10674	1.7
193.08617	2.9
201.09100	3.1
202.09912	1.7
203.10611	4.3
217.12207	3.0
218.83803	0.7
219.10197	1.9
221.11653	0.7
233.11765	1.7
236.00740	0.6
308.13824	0.7
339.15845	6.3
356.16098	3.2
371.18518	37.0
372.18839	1.1
387.20648	0.8
389.19638	10.9
390.19855	0.7
456.96027	0.6
466.11783	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56909	0.7
55.01869	0.7
55.05517	0.6
57.03435	6.1
60.05656	0.8
61.02931	1.5
67.05504	1.9
69.03430	6.1
69.07072	1.3
69.90980	2.2
70.06566	0.6
73.02916	13.8
79.05494	6.0
81.03417	1.7
81.07057	100.0
82.07373	1.4
85.02905	14.1
87.04483	0.9
93.07051	1.3
95.08606	8.2
97.02893	12.4
98.22803	0.7
99.04461	1.0
105.07051	1.2
107.08582	1.9
109.02902	1.6
109.10173	1.5
115.03935	11.5
127.03895	6.0
128.66133	0.7
133.04987	3.4
133.10181	0.8
134.09676	0.9
135.11711	0.8
137.13255	29.5
145.04974	6.1
145.10133	1.5
150.07672	0.6
151.93550	0.7
163.06013	4.6
187.96089	0.7
223.06088	1.1
241.07056	1.6
259.08282	3.5
273.18549	1.5
291.19693	1.1
295.10242	7.7
299.18723	0.9
317.19733	1.1
466.31741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87361	0.3
53.03938	0.9
54.20325	0.3
55.05513	0.8
57.03438	5.0
57.07074	1.4
61.02923	2.8
67.05500	3.1
69.03426	6.6
69.07072	3.0
69.20321	1.5
71.01370	0.6
73.02918	13.7
74.38876	0.3
77.53786	0.3
79.05499	7.5
81.03413	0.8
81.07056	100.0
82.07388	0.9
85.02906	11.9
87.04459	0.6
91.03963	0.5
93.07046	1.3
95.08603	14.5
96.08901	0.4
97.02892	11.7
99.04478	0.5
103.03946	0.3
109.02893	1.1
109.10154	1.1
115.03931	11.4
127.03907	4.9
133.04951	4.7
137.13249	21.8
138.13655	0.4
145.04948	4.4
150.07617	0.4
154.15889	0.6
163.06042	3.3
180.08653	0.3
181.05057	0.3
198.09702	0.4
217.07292	0.3
223.06039	1.4
241.07106	1.9
259.08170	2.5
295.10220	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01878	0.7
55.05502	1.7
57.03435	4.7
57.78160	0.7
61.02921	2.7
67.05489	4.5
69.03432	7.3
69.07062	2.9
69.64835	2.8
73.02920	8.8
79.05487	8.6
81.03394	2.8
81.07053	100.0
81.34389	0.8
82.07384	1.3
82.96920	0.9
83.04963	0.8
85.02889	10.1
87.04460	1.5
91.05463	1.7
93.07040	1.8
95.04987	0.9
95.08595	14.2
97.02890	10.4
105.07041	1.9
105.07751	0.7
107.08557	1.5
109.02843	1.2
109.10139	2.2
115.03934	10.9
121.10131	0.8
122.79057	0.8
127.03901	5.2
131.08575	1.2
133.04970	3.2
133.10127	1.2
137.13242	20.3
145.04938	3.8
145.10139	1.0
154.15912	1.3
159.11662	1.2
163.05997	3.2
171.23897	0.8
201.16333	1.1
241.06944	1.9
250.34102	0.8
254.94511	0.7
259.08139	3.1
295.10187	2.9
336.95422	0.9
466.31345	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08981	1.0
57.07078	1.8
62.63891	0.9
67.05499	5.8
69.07062	1.8
69.33788	2.0
69.34190	4.6
70.06587	100.0
71.06923	1.6
71.08616	1.5
71.25231	1.0
79.05487	1.1
81.07042	6.1
83.08624	1.8
85.10190	1.3
90.52381	1.4
91.05404	1.0
92.31365	1.1
93.07079	1.1
95.08593	4.3
98.22591	1.1
102.93546	0.8
109.10164	3.1
110.07425	1.0
130.08629	77.1
131.09016	1.4
301.28909	2.2
406.36783	3.1
430.92780	1.2
448.37772	6.1
466.38809	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2146
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
50.70659	0.3
62.98258	19.5
67.05500	0.8
69.07077	0.7
69.23676	1.8
81.07057	0.5
89.05984	0.3
91.05486	0.3
93.07050	0.4
98.98457	0.3
109.10204	0.3
113.00021	1.3
113.48982	0.3
124.93768	26.1
135.11908	0.3
142.94904	0.4
156.96379	28.0
169.02637	1.1
182.97885	0.7
191.00787	0.5
197.99089	0.3
198.97432	1.8
212.98996	3.9
215.26637	0.3
231.00061	1.1
252.84900	0.3
299.19650	2.2
313.27414	0.4
339.28867	0.9
435.18839	31.8
436.19055	1.2
467.21457	100.0
468.15448	0.3
468.21786	4.2
476.21677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.9
53.03942	11.5
55.01877	16.5
55.05515	13.8
57.03434	10.8
57.07063	2.9
61.02921	9.9
65.03965	3.3
67.05497	24.1
67.89912	2.5
68.99790	6.6
69.03426	54.7
69.07062	9.1
71.04985	13.2
73.02913	8.8
78.04642	2.7
79.05483	33.7
79.05898	4.1
81.03414	61.3
81.07051	86.5
83.04977	4.5
83.08620	4.9
85.02902	93.9
87.00827	38.8
87.19932	2.5
91.03970	4.2
91.04935	5.4
91.05473	46.3
93.07040	56.6
95.04971	11.1
95.08595	56.3
97.02895	36.3
97.06540	10.9
99.04447	25.7
100.11309	6.1
103.05508	3.4
105.01854	24.8
105.04501	3.4
105.07024	82.8
107.08588	100.0
109.02874	55.4
109.06528	7.5
109.10131	26.8
111.04464	4.9
114.09187	7.7
115.03950	3.4
115.05442	6.9
117.01814	7.0
117.07021	20.6
119.08577	64.1
119.09418	3.9
121.06494	3.2
121.10141	62.9
123.04479	3.7
123.08068	4.3
123.11718	3.7
127.03913	80.6
129.01842	5.6
129.06999	9.8
130.07787	9.7
131.08551	34.1
133.10135	36.2
135.11707	10.3
142.08669	3.6
143.08582	12.3
144.09322	7.2
145.02977	2.6
145.04933	23.9
145.10112	95.8
146.10838	3.5
147.02908	8.1
147.11685	28.9
149.09602	5.2
151.11142	3.8
157.10120	15.2
159.02850	27.2
159.11690	86.7
161.09544	2.7
161.13264	39.4
163.03920	4.9
163.11151	3.6
163.14867	8.2
169.10126	4.5
171.11681	9.1
173.09608	2.9
173.13257	22.5
175.14935	6.9
182.15465	7.9
183.11687	2.8
185.13412	4.8
187.14862	4.8
191.17940	3.2
197.13368	5.5
199.14845	8.9
201.16385	96.9
202.16621	4.7
203.17946	15.2
210.14926	6.7
211.14731	5.0
213.16409	5.0
217.15894	8.0
219.17429	33.9
229.15842	5.2
231.05008	11.2
231.17374	4.8
243.17494	5.9
258.21692	3.5
259.09802	14.0
261.18683	4.5
309.18442	6.3
327.19458	3.8
431.20633	5.9
449.21732	9.2
449.34698	3.5
467.22510	12.4
467.36185	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.2
55.01877	16.5
55.05508	18.0
57.03427	13.7
59.05038	3.4
61.02925	13.0
65.03936	6.8
67.05504	35.1
68.99779	14.5
69.03435	63.9
69.07065	19.2
70.06583	6.0
71.04995	18.5
73.74466	3.0
79.05497	46.1
81.03416	48.8
81.07058	100.0
83.04976	8.9
83.08617	7.9
85.02910	89.3
85.06543	5.9
87.00829	43.2
91.05489	44.9
93.07050	87.3
95.04975	40.2
95.08608	67.7
95.80521	3.2
97.02906	31.2
97.06529	14.7
97.10190	5.0
99.04446	15.3
103.03947	7.1
105.01871	28.9
105.04524	5.8
105.07038	95.2
107.04953	11.5
107.08591	77.1
107.09261	6.6
109.02885	29.3
109.06519	27.2
109.10171	39.3
111.04436	13.2
111.08095	5.7
113.02348	3.5
115.03937	8.4
117.07028	17.6
119.08582	64.1
121.06503	20.3
121.10152	48.1
123.04420	11.4
123.08069	14.7
123.11694	12.0
125.06039	5.0
125.18189	3.1
127.03917	52.5
128.06223	6.3
129.01849	15.3
129.06984	13.2
130.07793	8.5
131.08563	47.4
133.06461	6.9
133.10121	54.3
135.04453	3.6
135.08063	7.8
135.11685	42.6
137.05988	12.3
137.09634	6.9
139.07536	3.9
139.11191	4.9
141.06992	5.2
142.07753	5.9
143.08565	21.4
144.09326	6.2
145.04970	9.9
145.06480	4.3
145.10121	78.3
147.02870	10.8
147.04485	3.1
147.08034	11.1
147.11694	27.6
149.09601	19.2
149.13249	26.0
151.07538	8.2
151.11134	5.8
155.08525	9.7
156.09332	4.2
157.10165	22.6
159.02879	5.4
159.08031	8.2
159.11700	56.6
161.09619	8.7
161.13272	53.0
163.07544	13.9
163.11186	10.8
163.14827	24.5
165.06981	4.6
167.07069	3.6
169.10109	19.0
171.08107	3.9
171.11642	17.6
173.09618	7.5
173.13252	38.9
175.07591	3.2
175.14850	13.3
177.09120	4.3
177.12602	3.4
178.07703	3.5
179.07066	3.8
181.08594	5.0
181.10101	6.0
183.10318	3.1
183.11652	14.8
185.09648	4.7
185.13263	15.3
187.11182	4.4
187.14806	13.9
189.03917	10.7
189.12782	3.7
189.16342	11.1
191.10628	5.0
191.17946	13.1
197.08115	4.9
197.13269	8.6
199.14822	24.1
201.16385	69.6
201.18126	6.3
203.14244	4.7
207.11618	5.1
209.13182	3.8
211.14877	11.1
213.12622	3.6
213.16379	13.2
215.09120	6.3
215.14275	4.7
215.17879	4.7
217.15907	14.7
219.17384	32.9
223.14861	7.0
225.12845	3.9
225.16364	6.6
227.14238	5.1
229.07567	3.5
229.15974	5.5
231.05003	10.6
231.17496	6.6
237.16493	4.5
239.18063	4.7
241.15887	5.1
243.17470	10.8
255.17192	4.9
259.17059	4.3
281.19028	4.6
285.18567	6.2
291.17358	4.7
294.53183	3.5
299.31369	3.0
309.18600	15.7
311.54852	3.5
327.19528	14.4
345.20746	4.5
363.21637	6.5
369.19669	5.3
381.22653	4.9
413.19644	6.1
431.20621	5.6
449.21600	20.1
453.08539	5.9
467.22113	26.8
467.32562	7.2
468.10934	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01860	1.0
55.05511	0.9
58.06593	1.0
66.46796	0.6
67.05518	0.7
69.03423	3.0
69.07072	0.8
70.61459	1.0
71.05000	1.4
72.08151	7.1
72.32384	0.6
81.03417	7.6
81.07047	2.5
83.04990	1.7
85.02911	1.6
89.03918	3.0
91.05469	4.2
93.07044	1.7
95.08614	2.4
97.06528	1.5
99.04469	3.2
104.10744	1.2
105.07035	1.4
107.08604	1.2
109.02878	3.3
109.06511	1.3
111.08081	1.0
112.11248	2.2
117.03381	11.7
119.04952	10.9
119.08564	0.9
121.02842	0.9
121.06501	3.0
127.03888	1.3
129.13872	1.9
133.10135	0.8
134.03580	0.8
139.07542	1.0
143.07089	0.8
145.02841	41.0
146.03261	1.1
146.16484	1.7
147.04401	65.0
147.09172	1.9
147.11685	1.2
148.04744	1.3
149.05989	3.2
155.11821	0.9
163.03951	2.0
173.07104	2.3
175.08681	3.2
175.11197	1.4
177.05458	58.6
178.05829	1.2
184.07364	0.8
187.07544	0.8
189.12675	1.4
191.08148	29.0
193.12206	1.6
199.11252	1.2
200.04613	1.0
203.11855	1.3
204.10199	44.5
205.10564	0.9
211.13303	1.2
215.06969	0.7
217.12289	2.9
218.11835	2.0
221.12950	1.4
234.11240	14.4
234.13455	1.0
235.13335	4.7
248.12843	3.8
253.14316	8.8
259.09650	3.2
271.15454	2.7
275.17566	2.9
289.11850	2.9
289.16544	2.2
292.20169	4.1
301.31842	0.7
305.18469	1.0
307.12857	8.6
318.18140	1.1
322.21222	5.2
325.13882	13.1
331.12857	2.0
349.13916	2.2
354.23486	0.8
371.15833	0.9
397.13907	2.5
415.14868	3.4
433.16049	5.1
450.23776	1.0
451.17038	4.5
451.22592	1.9
468.24927	100.0
469.25497	4.3
469.34174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
60.56463	0.4
63.64419	0.4
69.76516	0.5
70.70127	0.9
75.04461	0.7
79.05495	0.9
81.07065	0.7
85.02908	0.5
87.00829	0.6
91.05487	1.9
93.07052	0.6
95.04970	0.9
105.05518	0.6
105.07028	1.8
106.04128	0.6
107.04962	1.2
109.10194	0.6
117.07024	1.0
118.04142	0.6
119.08574	0.5
120.05693	0.8
121.06507	1.4
123.04375	1.1
131.04904	0.7
133.06464	1.4
135.08018	0.8
136.05180	3.5
137.05991	3.4
138.06781	1.4
140.06845	0.7
141.66258	0.4
145.02785	0.5
145.06476	0.8
147.04376	0.9
148.05190	12.7
149.09601	0.6
151.03909	1.8
151.07549	4.5
152.08208	0.5
153.09077	0.6
159.08167	1.0
161.05962	1.9
163.07504	1.3
165.05492	1.0
165.09103	1.7
166.06248	11.3
167.07063	2.7
168.07854	0.6
173.05992	0.6
173.09641	0.5
175.07503	1.5
176.08328	2.8
177.05368	0.7
177.09082	5.7
180.07806	1.9
181.08594	100.0
182.08992	2.2
186.06810	0.6
187.07549	1.2
189.09163	1.4
190.09871	1.9
191.07039	1.2
191.10599	2.9
193.08614	5.5
194.09341	0.5
195.10161	5.8
201.09068	1.5
202.09865	2.5
203.07057	1.6
203.10689	1.3
205.08609	1.0
206.09428	1.8
207.10173	7.2
209.11855	0.8
209.72415	0.5
216.11455	2.8
217.08464	1.2
218.09401	1.0
219.10225	1.1
221.11734	2.3
232.11093	0.8
233.11766	4.8
235.13234	0.7
247.13289	4.0
251.12796	4.9
265.14343	1.7
369.16971	0.8
383.18604	3.2
384.19058	3.0
400.18820	5.7
401.19498	1.2
415.21170	16.5
416.21283	1.1
433.22238	12.7
434.22220	0.7
468.24902	1.1
468.32831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1681
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
56.94470	0.3
57.03422	0.4
57.10497	0.3
62.00860	0.3
62.61526	0.3
67.05495	0.9
69.03415	0.4
69.07059	0.4
70.06589	1.6
71.46494	0.4
79.05511	0.4
81.07049	0.9
83.01084	0.8
83.06078	0.4
84.01887	1.0
84.08168	0.4
85.02895	1.1
86.09706	0.7
93.04534	0.4
93.07027	0.4
95.01075	2.8
95.04959	0.4
95.06069	0.5
95.08603	0.4
96.01879	0.9
97.02860	0.4
97.06529	1.2
105.06990	0.5
109.10149	1.2
110.07155	2.4
112.01349	1.7
113.02125	3.8
121.10155	0.5
126.02884	0.8
127.11195	1.0
141.01585	0.4
145.04901	0.4
147.04433	0.5
150.10248	0.4
157.04738	0.8
163.03922	0.7
167.03204	0.5
167.07072	0.5
169.04890	0.5
173.02524	0.5
175.44728	0.4
185.04222	4.4
201.03674	1.8
202.04504	0.6
203.05267	1.1
209.02721	1.2
215.06982	1.1
217.04744	2.0
232.07060	18.0
233.07741	1.0
243.08488	0.6
259.07852	2.1
259.09793	1.5
268.72693	0.4
275.08960	1.5
277.10614	1.1
307.11627	0.6
322.21149	1.2
368.21884	0.6
409.09796	0.6
409.17191	0.5
438.14987	1.8
439.15723	1.9
451.25412	0.5
469.16782	100.0
470.17136	5.7
470.24152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.3
51.50868	0.3
53.03948	3.7
55.01884	1.6
55.05495	1.0
56.07906	0.3
57.03443	1.5
59.05001	0.7
66.50922	0.3
67.13811	0.3
69.03065	0.5
69.03428	9.9
69.13464	2.1
69.13804	0.4
71.01340	0.6
71.04991	4.2
72.08125	0.3
73.02911	0.8
81.03416	24.3
81.07054	0.4
82.03780	0.3
83.04980	4.5
85.02911	1.8
98.22672	0.4
99.04452	11.5
103.03939	1.9
109.02883	8.7
117.03384	0.9
117.05498	2.6
117.82894	0.3
118.06538	2.2
119.04948	0.5
120.05248	0.4
120.08087	0.3
124.60791	0.3
127.03896	2.7
136.07521	0.4
145.02823	1.7
145.07617	3.6
146.03168	0.9
147.04405	3.0
147.09160	7.8
148.04718	1.5
162.07855	0.8
163.08687	1.4
165.24188	0.3
173.07097	9.0
175.08656	10.8
176.09341	0.3
177.05473	2.3
178.05803	1.3
190.07416	0.8
191.08144	100.0
192.08534	2.5
198.14861	0.4
199.08606	0.7
203.08101	1.0
204.08615	0.6
204.10451	1.4
205.10669	0.6
210.14861	0.6
213.10172	0.5
215.11830	0.5
231.11189	1.0
233.09155	1.0
234.11292	0.5
235.11440	0.3
243.11279	0.8
271.10736	1.9
289.11783	8.1
307.12863	32.0
308.13266	1.6
325.13928	30.8
326.14203	0.9
331.12881	8.8
349.13916	6.8
371.16010	1.7
389.17075	3.0
391.14771	0.5
397.13953	4.8
407.18109	0.8
415.15015	10.6
416.15158	0.5
433.16010	12.2
434.16226	0.5
451.17102	11.2
452.17288	0.5
453.34546	0.3
469.19019	0.5
469.25266	5.8
469.31586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01874	2.5
55.05508	0.3
56.05026	0.2
57.03434	1.5
59.04994	0.4
69.03423	10.1
69.50514	0.9
70.06579	0.4
71.01339	0.5
71.04990	7.3
73.02898	0.7
79.05486	0.2
81.03410	10.0
83.04977	1.5
85.02885	0.5
91.05457	0.5
93.07005	0.2
97.06531	1.5
99.03806	0.4
99.04453	5.0
103.03963	0.2
105.06995	0.4
109.02876	3.3
117.05472	1.5
118.06522	2.4
120.08115	0.2
127.03874	0.6
135.04445	0.2
137.05975	0.9
145.06476	0.5
145.07593	5.1
147.04420	0.3
147.08058	0.3
147.09167	3.9
149.05902	0.3
161.06004	0.3
163.03879	0.8
163.08626	0.7
173.02344	0.3
173.07101	9.4
175.07266	0.4
175.08682	4.3
187.07582	0.3
191.08136	100.0
192.08475	2.6
215.07002	1.0
226.03883	0.2
231.11356	0.5
233.09357	0.4
243.11229	0.3
259.09579	1.7
262.55698	0.3
271.10825	0.7
271.22556	0.3
288.27991	0.2
289.11777	4.1
307.12851	71.1
308.13171	2.5
325.13928	18.7
326.14069	0.3
389.17078	0.4
397.13870	0.7
407.18030	1.3
409.16022	1.4
415.15146	1.7
433.09961	0.3
433.16049	6.1
451.17184	1.0
469.19727	0.9
469.25797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1837
Annotation	Acidissimin
Peak:m/z	Relative Intensity
56.96558	1.1
60.50660	0.4
61.90580	0.4
66.11781	0.5
70.34015	0.5
72.78923	0.4
79.05492	0.5
83.01102	0.6
85.12910	0.5
87.35609	0.4
90.34014	0.4
98.23064	0.5
135.04405	2.9
140.66733	0.5
147.04356	0.6
147.85406	0.4
166.25217	0.5
169.10471	0.5
176.62018	0.4
178.70872	0.5
181.08675	1.2
196.98459	0.5
250.59261	0.4
276.99149	0.5
294.00809	0.4
379.04733	0.8
397.05881	4.3
409.16251	13.9
409.21643	0.8
410.16470	0.9
415.07260	1.0
433.07901	1.8
445.08182	0.8
469.07706	2.6
469.18372	100.0
470.18668	4.0
487.09293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68052	0.5
55.05525	1.1
62.98263	23.0
67.05495	1.1
69.07056	1.1
69.76006	2.2
71.08650	0.7
73.76897	0.6
79.05471	0.6
81.07050	1.0
82.07398	0.7
83.08623	1.0
89.06032	1.3
93.07051	0.7
93.11034	0.5
95.08608	0.9
96.08913	0.6
98.22665	0.6
107.08601	0.8
109.10165	0.7
112.71043	0.5
113.00027	5.5
121.10135	0.9
124.93779	23.6
134.98161	0.9
147.48894	0.6
151.59525	0.6
156.96388	33.2
169.02612	7.2
170.03065	1.1
172.98399	0.6
212.99152	2.9
253.14786	0.7
285.47440	0.5
340.29318	4.8
437.20453	36.0
438.21124	0.9
468.12811	0.8
469.23090	100.0
470.23550	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.1
57.03444	3.3
67.05502	14.2
69.07053	2.4
71.08276	0.6
79.05488	8.4
81.07058	12.3
83.08632	1.0
91.05481	4.1
93.07040	8.3
95.04962	0.9
95.08605	10.3
98.73006	0.5
105.07017	2.1
107.08588	3.3
109.10174	2.5
117.07095	0.6
119.08579	1.4
121.10151	2.2
131.08557	1.5
133.10120	1.2
134.98184	38.6
135.11679	1.5
144.18678	0.5
145.10104	0.6
147.11668	0.6
170.99091	0.9
176.00957	0.8
190.94545	0.6
209.01868	2.7
209.51761	0.5
299.89468	0.6
335.25793	12.9
357.24060	6.7
375.25046	2.5
422.46500	0.6
437.20657	1.5
451.21814	2.5
469.23254	100.0
470.23581	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03940	4.2
54.67718	1.4
55.01872	7.3
55.05505	16.4
57.03446	2.4
57.07067	2.9
58.20334	1.6
61.02921	3.0
65.03929	2.9
67.05154	3.2
67.05499	37.0
68.99796	3.4
69.03428	12.2
69.07065	16.4
71.04987	3.5
73.02901	3.0
77.03926	2.6
79.05502	16.2
81.03413	11.8
81.07051	44.8
83.04981	6.3
83.08611	7.9
85.02899	20.7
85.06538	3.5
87.00827	10.7
91.04939	2.4
91.05480	32.3
91.30179	1.4
93.07043	100.0
95.04965	12.3
95.08600	49.5
97.02894	10.7
97.06505	3.5
97.10164	2.8
99.04425	3.4
103.03928	2.9
103.05470	3.8
105.01866	6.6
105.04520	3.7
105.07019	50.7
106.07303	1.6
107.04977	1.6
107.08589	55.3
109.02849	11.5
109.06484	8.3
109.10150	78.8
110.10455	2.0
111.04445	3.2
111.08072	25.4
115.03953	3.8
117.07022	5.2
119.08585	44.1
121.06490	3.4
121.10131	24.1
123.04429	1.6
123.08047	4.5
123.11696	8.1
124.72710	1.6
125.09640	7.0
127.03903	12.6
127.07458	1.6
129.01817	2.0
129.05418	1.6
129.06999	2.1
131.08574	7.3
133.06548	1.7
133.10129	24.8
135.08098	2.6
135.11688	40.7
137.06033	2.5
137.09613	4.6
143.08540	5.8
145.04932	6.1
145.10133	10.0
147.08112	2.5
147.11678	48.7
148.12090	1.7
149.09630	2.2
149.13210	2.6
151.11197	3.1
153.09024	2.4
157.10098	4.8
159.02887	5.5
159.11708	8.6
161.09547	3.8
161.13258	12.4
163.11214	3.6
165.09241	1.8
165.12811	2.3
169.10097	3.5
171.08156	1.9
171.11787	4.1
173.13268	4.0
175.11171	2.9
175.14789	3.0
177.09111	1.8
177.12744	2.1
177.16412	2.2
181.08606	1.8
183.11691	4.5
185.13268	4.8
187.11198	2.2
187.14868	1.7
189.03929	3.1
189.16399	2.2
191.10626	3.8
195.11780	1.8
199.14726	2.0
201.16417	4.5
203.17958	33.7
210.14798	2.3
213.16451	3.5
215.17921	3.2
219.17455	4.1
221.19009	5.9
225.16348	2.2
227.17915	2.0
231.05000	2.1
231.17462	2.7
233.18983	2.3
241.24797	1.5
243.17339	2.3
245.18948	3.1
257.18872	2.1
277.53067	1.6
311.20111	4.8
329.21112	4.6
331.31180	1.7
347.22119	2.7
388.02811	1.6
415.21274	2.6
433.22031	4.3
451.23544	3.6
469.24408	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.4
53.68708	1.2
55.01871	13.0
55.05506	18.3
57.03430	9.7
57.07073	4.5
57.28552	1.3
59.05006	1.8
61.02935	7.8
65.03920	2.6
67.05502	20.7
68.99792	6.2
69.03063	2.9
69.03426	47.2
69.07067	16.0
70.06989	2.1
70.07320	2.0
71.05006	7.2
71.08625	1.7
73.02902	8.0
79.05493	20.0
81.03048	0.8
81.03415	52.0
81.07053	59.5
83.04973	4.7
83.08615	11.1
85.02903	75.0
85.06533	2.8
87.00827	39.0
91.03938	2.7
91.05476	30.2
93.07042	47.3
95.04967	7.9
95.08601	44.5
97.02888	33.0
97.06535	4.9
97.10179	5.3
99.04453	15.7
99.08089	1.5
101.02440	1.4
103.03950	2.6
103.05462	1.6
104.37493	1.6
105.01862	20.4
105.04539	2.1
105.07024	97.0
106.07321	1.6
107.04890	1.6
107.08591	100.0
109.02876	40.1
109.06535	6.8
109.10148	36.1
111.04397	2.6
111.08107	1.6
115.03917	4.3
117.01861	5.4
117.07023	4.0
119.06062	1.8
119.08571	65.7
120.08858	1.9
121.06476	2.9
121.10138	30.0
123.04475	2.7
123.08062	2.5
123.11700	16.9
125.09614	1.6
127.03905	59.3
129.01869	7.0
129.06915	1.3
131.08553	10.9
133.10124	42.4
135.08073	2.6
135.11682	38.3
137.06024	1.8
143.08620	3.2
145.04950	18.4
145.06194	1.6
145.06566	1.7
145.10114	14.3
146.10799	1.9
147.02890	4.2
147.08035	1.9
147.11678	51.1
149.09564	1.9
149.13243	11.3
151.11174	7.7
155.08589	1.7
157.10162	4.7
159.02895	26.4
159.08052	1.7
159.11690	12.5
160.12477	1.9
161.13261	21.2
163.07491	1.8
163.14816	30.5
163.16167	1.5
165.09154	1.6
169.10071	3.2
171.11676	4.1
173.13214	7.0
175.14816	12.9
181.08582	2.1
183.11758	2.9
185.13234	2.4
187.14856	3.7
189.03893	1.8
189.16368	5.1
195.11696	1.8
199.14842	2.1
201.03992	1.7
201.16417	7.7
203.17943	72.3
204.18236	1.9
205.19469	5.5
209.13217	1.8
213.03958	3.3
213.16396	5.4
215.17911	3.5
217.15797	1.7
219.17403	4.3
221.18961	13.7
227.17906	2.3
231.04939	9.4
233.19093	2.1
239.17879	1.4
243.17502	1.5
245.19057	4.3
265.19467	1.4
269.19119	2.5
293.18936	1.9
300.17062	1.5
303.10727	1.7
311.20038	5.3
329.21204	6.9
347.22253	1.9
391.11298	1.4
415.21225	3.2
423.24411	1.6
433.02744	1.6
433.22180	5.8
438.16470	2.4
439.17282	2.8
451.23123	6.3
469.18372	4.1
469.24243	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01878	15.7
55.05510	27.8
57.03431	12.0
57.07073	11.4
59.04989	2.9
61.02923	13.3
65.03945	4.5
66.15876	2.5
67.05497	37.6
68.99786	10.9
69.03426	53.6
69.07059	30.6
69.34954	12.5
69.35364	5.8
71.01354	4.0
71.04994	33.2
71.08657	2.8
73.02922	4.9
79.05493	31.9
81.03413	37.6
81.07056	100.0
83.04978	10.6
83.08613	17.5
85.02901	65.0
85.06524	4.7
87.00837	33.4
87.04475	3.3
91.05481	30.0
93.07037	64.8
95.04965	22.7
95.08604	86.5
97.02884	32.7
97.06548	15.7
97.10181	11.6
99.04450	13.9
99.08098	4.9
103.03951	10.6
105.01856	15.3
105.07027	73.0
107.04968	7.5
107.08588	60.3
109.02875	22.0
109.06522	12.6
109.10149	68.0
111.04446	14.6
111.08074	5.7
111.11732	6.9
113.09641	4.6
115.03947	19.2
116.44775	2.5
117.01817	3.9
117.07012	12.8
119.04932	3.5
119.08575	82.0
119.09424	5.3
121.06513	15.3
121.09275	3.4
121.10143	61.6
123.04438	12.0
123.08038	9.4
123.11703	31.6
125.05972	3.1
125.09638	8.2
127.03918	35.8
127.11191	36.1
128.06229	7.3
129.01817	13.7
129.05513	3.0
129.07002	8.5
130.07825	3.5
131.08556	23.5
133.06509	7.5
133.10121	47.3
135.04407	5.1
135.08058	10.5
135.11690	45.4
137.05994	5.6
137.09625	12.8
137.13278	16.3
139.07588	3.4
139.11255	4.3
141.05452	5.4
141.07004	2.9
142.07753	7.4
143.08572	15.3
144.09314	4.9
145.04919	3.6
145.06500	4.5
145.10117	48.6
147.08051	8.9
147.11690	38.9
149.09589	5.2
149.13266	27.9
151.07640	4.8
151.11230	7.0
153.09137	3.5
153.12758	6.9
155.08578	9.3
156.09279	4.6
157.10127	30.3
159.02911	12.1
159.08060	3.3
159.11679	51.3
161.09647	9.6
161.13248	23.2
163.07565	3.5
163.11180	6.3
163.14857	6.8
165.12776	7.9
167.08575	7.5
168.09344	3.1
169.10135	14.0
171.02847	2.9
171.08066	5.6
171.11690	25.5
173.09645	6.4
173.13229	16.3
175.11212	13.2
175.14804	15.6
177.08998	3.9
177.12787	6.7
177.16359	9.0
181.08665	3.6
181.10136	7.1
183.11684	11.7
185.09532	6.5
185.13275	10.1
187.11250	4.8
187.14806	15.6
189.03952	9.6
189.09146	6.7
189.12778	8.4
189.16362	18.1
191.14297	10.3
191.18021	6.0
193.15912	6.2
193.19553	7.4
195.11736	7.9
195.17503	3.9
197.13277	8.1
197.80779	3.2
199.11215	4.3
199.14868	6.9
201.03951	11.3
201.12741	7.5
201.16357	19.7
203.14246	4.7
203.17958	34.4
205.12236	3.6
205.15742	3.5
205.19559	4.8
207.11732	9.4
209.13284	4.8
211.14867	3.1
213.12746	3.8
213.16402	12.3
215.14394	6.2
215.17946	8.4
217.15927	4.1
219.05031	6.9
219.13702	3.4
219.17444	17.3
221.13367	3.7
221.18985	20.5
223.14842	6.9
225.12753	12.2
225.16411	6.6
227.17976	11.2
231.04953	5.7
231.17484	8.2
233.19041	9.9
239.17860	3.4
241.15944	7.4
243.13750	7.4
243.17461	6.9
245.18987	15.2
255.17732	4.9
257.19012	10.8
259.09665	8.0
259.16867	4.7
260.10114	2.9
261.18405	5.4
263.20120	9.0
269.19077	6.7
269.46417	2.8
275.20139	6.8
283.20520	5.3
287.20151	8.2
293.18997	9.3
301.21713	3.6
311.19980	28.6
329.21115	21.2
347.22116	7.7
365.15829	3.6
397.19775	2.7
405.22723	3.6
415.21112	8.7
433.22171	15.2
451.23306	33.4
469.24420	35.6
479.18799	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
55.01874	17.1
55.05508	22.6
57.03424	10.3
57.07076	7.3
60.01503	2.7
61.02935	14.9
65.03941	5.7
67.05505	38.0
68.99785	10.2
69.03429	55.0
69.07061	34.1
69.30351	10.0
69.30755	7.6
71.01321	3.5
71.04990	50.4
71.53760	3.1
73.02917	6.3
77.03919	4.3
79.05495	43.3
81.03412	42.8
81.07053	100.0
83.04974	13.7
83.08618	11.3
85.02901	73.6
85.06549	7.3
87.00829	40.2
91.05476	42.1
93.07043	74.8
95.04966	22.9
95.08605	55.6
97.02889	29.3
97.06532	37.9
97.10172	7.5
99.04443	16.5
99.08082	10.4
103.03939	17.7
103.05434	3.4
105.01855	10.8
105.07027	92.3
107.04949	11.7
107.08588	70.6
109.02872	27.4
109.06474	16.2
109.10155	93.1
110.10497	3.4
111.04459	14.8
111.08096	3.2
111.11726	3.6
115.03931	15.2
117.01859	4.7
117.07011	19.9
119.04913	5.0
119.08573	85.6
121.06492	17.5
121.10142	70.1
123.04407	17.5
123.08063	14.2
123.11706	27.6
125.05950	3.4
125.09625	13.6
127.03916	21.3
127.11192	55.1
128.06216	8.9
129.01848	14.3
129.05504	3.1
129.07002	14.7
130.07765	3.6
131.08554	40.1
133.06485	5.6
133.10126	78.5
135.04451	5.4
135.08015	16.0
135.11690	49.6
137.06010	4.3
137.09633	8.7
137.13249	7.6
139.07506	5.6
141.05499	4.9
141.07014	6.3
142.07793	10.2
143.08559	31.4
144.09291	7.3
145.02776	6.5
145.04941	4.7
145.06538	5.0
145.10110	57.6
147.02863	6.4
147.04453	4.5
147.08051	15.6
147.11681	49.7
149.09636	10.7
149.13223	16.7
151.11140	7.7
153.12746	18.9
155.08554	13.2
156.09332	7.3
157.06508	3.9
157.10143	34.7
159.02905	13.3
159.08061	9.8
159.11688	79.0
161.02313	4.8
161.09631	14.3
161.13232	27.0
163.03938	20.2
163.07550	5.2
163.11166	5.4
163.14880	3.5
165.07001	4.0
165.09087	6.3
167.08522	6.4
168.09389	3.3
169.10139	12.1
171.02959	4.9
171.08022	6.3
171.11696	30.0
173.02354	10.9
173.09598	8.5
173.13251	17.9
175.11163	8.7
175.14868	12.1
177.12743	12.7
177.16354	8.6
179.10707	3.4
180.09172	2.9
181.08687	3.8
181.10162	8.9
182.10918	3.5
183.11711	15.2
185.09610	10.6
185.13196	17.2
187.11232	7.5
187.14812	13.2
189.03935	11.6
189.08983	6.7
189.12810	5.4
189.16333	25.9
193.08612	5.0
193.15854	8.6
195.11742	9.4
195.17474	6.2
197.13278	14.9
199.11066	6.3
199.14838	5.7
201.03925	3.9
201.12752	14.2
201.16393	27.7
203.14293	8.6
203.17903	26.6
205.12401	3.6
205.19475	3.9
207.11682	13.1
207.13625	4.0
207.17355	3.9
209.13254	4.5
211.14754	6.3
213.12790	7.6
213.16446	7.4
215.07025	25.2
215.14328	5.7
215.17972	5.1
219.13829	4.9
219.17412	13.3
221.13301	4.6
221.15431	5.6
221.19057	16.7
223.11154	3.3
223.14771	7.4
225.12720	26.4
227.17986	11.8
231.17412	8.4
233.18933	5.8
239.17751	4.1
241.15866	9.7
243.13782	7.9
243.17570	9.3
245.18935	23.7
254.14749	3.8
257.19031	5.8
259.09659	32.2
259.17026	5.3
260.09949	7.5
261.18494	4.7
263.12320	3.2
263.19989	14.6
269.19083	8.3
277.10672	22.9
283.20087	3.7
287.20059	7.6
293.18961	12.5
303.10550	5.1
305.21176	6.2
311.20007	41.0
329.21133	21.1
347.14893	5.0
347.22314	5.9
383.16968	4.4
415.21103	9.2
433.22281	18.1
451.23196	28.9
469.24628	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	2.6
55.05510	8.8
57.03436	6.3
57.07085	0.8
61.02925	8.5
67.05505	1.3
68.76850	0.6
69.03430	17.5
69.07068	54.9
69.22354	1.6
69.22750	3.3
70.07405	0.9
71.04995	2.0
73.02922	2.5
79.05503	1.0
81.03423	5.8
81.07044	2.4
83.01308	0.8
85.02905	100.0
86.03241	1.2
87.04473	3.2
91.03957	4.2
91.05489	1.0
92.79256	0.6
93.07023	0.9
95.04961	0.7
95.08601	1.0
97.02897	20.9
97.06529	2.3
98.06895	0.7
98.23473	1.2
99.04476	4.7
103.03970	1.6
105.07018	1.4
109.02863	8.7
109.10136	1.5
111.11722	27.7
115.03922	1.4
119.08529	1.2
123.04410	0.7
127.03918	25.9
145.04964	45.1
146.16687	0.8
147.04482	0.9
163.03984	1.5
163.06018	25.7
164.04349	0.6
164.06395	0.9
173.02370	1.1
237.14865	1.5
255.15965	0.8
260.09998	2.1
278.11121	1.0
325.11322	1.5
349.66528	0.7
470.14017	1.1
470.25391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1781
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
50.75584	9.6
52.07020	8.1
58.88624	9.4
66.84115	8.6
69.53391	36.1
70.76469	9.4
75.63737	9.1
80.95438	9.8
98.23441	18.1
130.42172	9.6
131.46289	9.2
134.57549	9.3
152.47925	9.5
178.93498	8.6
184.89432	9.5
202.35495	10.3
219.06717	11.3
471.17645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.8
71.46237	1.0
73.20240	0.7
74.09681	0.7
81.07041	2.2
95.08575	1.0
98.98440	0.8
109.10139	1.1
135.62108	0.7
140.06821	3.8
151.07518	1.5
167.07059	2.5
214.96599	0.8
224.11096	1.2
242.12109	0.7
345.14783	0.7
387.70273	0.8
411.17764	15.9
456.17096	1.0
471.19855	100.0
472.20383	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
57.03436	2.3
61.02935	1.2
67.05508	2.2
68.05053	0.8
69.03439	3.4
69.07069	1.1
71.04992	2.0
73.02917	1.6
75.04477	9.2
79.05502	0.8
81.03426	1.7
81.07069	2.6
83.04990	2.2
84.08157	1.0
84.45746	0.7
85.02908	12.1
86.04795	0.7
91.05463	1.0
95.08606	1.0
97.02904	2.9
98.23502	1.7
99.04469	0.9
101.06048	2.2
102.84926	0.7
105.07018	1.2
107.08614	1.8
108.08124	0.8
109.02908	1.3
109.10157	1.9
117.07008	1.0
119.08622	1.4
127.03936	3.0
129.05487	1.6
133.10184	2.2
135.04494	0.9
135.08095	0.9
145.04988	5.9
147.11761	1.0
149.09471	0.8
163.06020	0.8
165.09094	1.4
175.91014	0.8
201.03586	0.7
203.05350	1.2
223.16930	0.9
298.62164	0.8
304.09183	0.9
333.07938	38.5
334.08344	1.5
335.09506	22.4
335.13257	1.5
471.22128	100.0
472.22226	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27788	0.5
55.05513	5.8
57.03447	3.2
57.07070	0.9
58.14096	0.5
67.05502	12.2
69.07063	6.7
69.45168	1.1
69.45583	1.5
71.04977	0.5
79.05489	3.0
81.07055	12.5
83.08621	3.3
87.58812	0.5
91.05487	1.0
93.07035	2.7
95.08607	8.6
97.06514	0.6
97.10172	0.7
105.07034	1.6
107.08578	2.4
109.10159	3.2
111.62000	0.5
119.08582	1.6
121.10111	1.5
123.11714	1.2
127.83719	0.5
133.10127	1.4
134.98184	38.2
147.11739	0.9
149.13289	0.7
175.14894	0.7
176.77261	0.6
209.01913	3.0
237.11279	0.5
241.22363	0.5
337.27374	11.7
359.25531	3.6
377.26730	2.6
439.22180	1.6
453.23776	2.4
471.24823	100.0
472.25204	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.05505	11.6
57.03420	1.2
57.07066	2.1
59.05002	2.2
65.25630	1.2
67.05505	14.9
69.03418	11.6
69.07072	12.8
71.04991	38.4
73.06554	3.2
79.05493	9.2
81.07050	18.2
83.04967	2.7
83.08623	6.7
85.06552	7.8
91.05478	10.7
93.07035	19.3
95.04964	4.2
95.08605	22.9
97.06528	6.9
97.10158	4.5
98.23421	3.6
99.08095	16.3
105.07030	20.8
107.08584	32.0
109.06516	5.5
109.10152	35.5
110.10519	1.6
111.08073	26.1
113.09647	9.7
115.05479	1.5
117.06294	1.4
117.06998	6.5
119.08575	22.7
121.06475	2.2
121.10135	11.1
123.08063	4.4
123.11724	3.9
125.09626	41.0
127.07588	9.1
127.11192	56.5
128.06227	2.3
129.07019	5.4
130.07793	3.7
131.08562	16.1
133.10123	21.8
135.08055	2.5
135.11658	8.0
137.09601	10.3
137.13239	1.9
139.11194	2.3
141.06952	2.7
141.09090	2.3
142.07826	6.4
143.08539	7.2
143.10666	27.3
144.09291	2.5
145.10126	35.2
146.10423	1.4
147.11674	17.1
149.09587	2.7
149.13271	2.7
151.11217	4.0
153.12682	1.8
155.08578	8.0
155.10657	100.0
156.09377	2.4
157.10124	18.8
159.11694	35.7
161.09651	2.6
161.13281	4.1
163.11166	5.3
165.07033	1.5
165.12782	2.9
167.08618	2.6
169.10052	9.7
169.12276	4.4
170.10863	2.4
171.11682	13.0
173.09619	2.3
173.13232	11.2
175.11243	2.2
175.14886	3.9
177.12743	2.0
181.10217	4.6
181.12251	11.4
182.10870	3.3
183.11719	7.4
183.13780	7.2
184.12337	1.8
185.13269	13.5
187.11206	2.7
187.14861	5.1
189.12776	2.6
189.16348	1.8
191.14302	4.5
193.15816	2.8
195.11731	4.1
196.12479	3.1
197.13242	25.3
199.14790	13.2
201.12810	3.3
201.16339	2.7
203.14302	2.8
207.11716	3.0
207.13599	1.5
209.13292	6.4
209.15385	8.0
211.14853	19.4
211.16893	3.6
212.15288	1.8
213.16434	5.4
215.14307	5.3
217.15919	3.2
221.13170	2.5
223.14789	4.9
225.16389	4.7
227.14232	2.0
227.17938	2.2
229.15923	2.7
235.14891	1.4
237.16533	1.5
239.17853	3.2
241.15996	2.7
241.19609	1.5
243.17424	3.2
245.19102	5.4
249.16258	1.5
251.17969	3.0
253.19489	2.7
255.21118	1.3
263.17834	2.9
263.20322	2.8
265.19489	7.3
269.19040	2.0
271.20605	4.1
277.19357	1.7
279.21088	2.7
281.19070	2.0
283.20526	15.4
285.22073	9.6
289.21576	7.3
297.22119	10.3
301.21567	21.1
303.23239	6.3
311.23563	1.7
313.21561	2.4
315.23163	18.6
325.21744	1.6
325.25192	1.4
327.23376	1.8
337.25113	2.2
349.25299	5.0
355.26181	2.7
367.26355	6.1
411.32898	2.2
417.31155	2.4
435.32663	13.6
453.33679	35.3
454.33908	3.3
471.34692	63.0
472.34875	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05258	0.4
55.05510	6.3
56.05027	0.6
56.29915	0.4
57.03435	5.2
57.07070	1.3
58.06599	34.3
59.04991	0.3
59.07114	0.6
59.07383	9.6
60.04284	0.3
60.04524	3.7
60.07873	0.6
60.08163	11.0
67.05500	4.7
69.07069	7.8
70.14275	1.1
71.08630	0.7
73.02895	0.8
73.98197	0.3
74.08167	0.3
74.13737	0.3
75.04477	2.4
76.15525	0.3
79.05495	2.6
80.51991	0.4
81.07056	5.2
83.08619	3.8
84.08127	1.2
85.02893	2.2
87.04467	4.4
91.05456	0.8
93.07045	1.5
95.04989	0.4
95.08596	4.1
97.06535	0.8
97.10159	1.7
100.11235	0.6
103.03933	0.8
105.05502	1.1
107.08577	1.2
109.10137	1.3
111.08043	0.5
113.05984	1.1
121.10145	1.7
123.11674	0.6
129.05499	0.5
130.08638	0.7
131.07059	1.9
135.11665	0.8
144.10196	8.8
162.11246	1.4
167.99028	0.4
198.14769	0.5
200.12801	0.4
216.15897	1.7
218.13857	0.6
218.55673	0.4
236.14912	89.3
237.15146	2.0
264.02386	0.4
282.27975	0.5
297.41275	0.4
300.28989	1.2
311.25797	1.2
355.40015	0.4
367.28421	0.6
410.36285	1.2
454.35251	23.0
455.35709	1.0
472.36209	100.0
473.36606	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.106
Annotation	Tetracenomycin C
Peak:m/z	Relative Intensity
56.72022	2.7
56.96560	3.2
62.82212	2.7
98.97606	4.2
132.10211	3.6
151.95253	2.7
160.60341	3.2
313.50980	3.0
345.17990	3.0
394.11307	4.0
397.50647	3.5
414.12009	4.0
473.10529	100.0
498.27515	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66430	1.6
53.34379	1.8
70.06568	2.2
70.98951	1.6
71.44949	2.2
90.08485	1.7
90.42475	1.7
94.93026	3.8
112.89594	2.2
116.66365	1.9
126.81186	1.8
156.04228	17.6
157.04623	2.1
158.04018	5.0
206.20708	1.8
211.54361	2.0
305.14230	2.1
473.10571	100.0
474.10791	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1292
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.49093	0.4
55.05506	0.4
57.03428	0.7
62.79381	0.4
68.17027	0.4
69.03431	3.2
70.06591	3.3
72.08138	1.9
72.45170	0.4
73.02890	0.4
76.06630	0.4
84.04503	0.8
84.08137	1.3
85.02895	3.2
86.09698	3.3
87.04488	2.2
95.04929	0.4
96.06876	0.5
97.02892	2.4
97.07624	0.4
105.07047	0.5
107.08485	0.4
109.07652	0.6
113.16081	0.4
115.03929	1.8
123.04430	7.1
126.10306	0.6
129.10260	0.9
133.02869	5.5
133.04955	1.4
135.04411	1.5
136.07541	2.7
141.82196	0.4
146.02711	0.5
151.03888	3.0
164.03761	0.5
179.03389	100.0
180.03734	1.7
182.83385	0.5
193.62994	0.4
213.12268	0.5
230.93501	0.4
272.15732	0.6
294.38791	0.5
341.08688	11.0
469.05911	0.5
472.26572	1.3
472.33597	0.9
473.14529	0.7
473.23434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43152	0.9
50.49294	0.7
53.03942	3.2
55.01866	4.0
55.05505	2.8
57.03419	2.8
59.04988	3.0
61.02908	2.7
66.64056	1.0
67.05486	2.6
68.99776	1.2
69.03426	19.8
69.07062	3.3
69.63432	0.8
69.70993	1.2
69.71344	2.5
70.06600	4.5
71.04995	5.2
71.05330	1.2
72.08138	2.1
73.02908	2.1
77.03937	0.8
79.05487	3.1
81.03407	11.5
81.07047	6.2
83.04971	3.2
83.08585	1.0
84.04463	1.8
84.08105	2.0
85.02899	35.3
85.03416	2.0
85.06536	1.3
86.09692	3.3
87.00824	16.3
87.04471	3.8
91.05474	7.7
93.07037	10.1
95.04959	4.0
95.08596	3.9
97.02887	12.9
97.06536	2.8
98.22755	1.9
98.97556	1.0
99.04446	6.2
103.03960	0.9
103.05447	2.0
105.01849	14.6
105.07036	14.3
107.04961	1.5
107.08592	14.8
109.02867	10.0
109.06515	38.8
109.10144	3.9
111.08017	1.5
115.05468	1.1
116.07133	0.9
117.01846	1.2
117.06992	2.3
119.08573	16.6
120.08089	1.2
121.06527	1.3
121.10133	16.9
122.07258	1.0
122.10415	0.9
123.08054	14.6
123.11713	2.8
125.06023	1.4
125.09621	3.1
127.03911	22.1
129.06973	3.6
130.07770	2.5
131.08549	6.6
133.06503	1.2
133.10095	5.4
134.08136	1.0
135.08093	4.2
135.11679	7.2
137.05989	2.4
137.09601	8.7
137.13275	2.6
139.11151	1.6
141.06963	1.6
143.08533	5.5
145.04945	6.9
145.10123	18.6
147.02945	0.9
147.04405	1.1
147.08073	9.9
147.11688	20.8
148.05965	1.2
149.09612	100.0
150.09982	2.7
151.07532	4.0
151.11174	1.8
153.09087	1.2
155.08572	1.5
156.09335	12.7
157.09834	1.3
159.02869	3.6
159.08070	1.8
159.11766	5.0
161.09557	2.1
161.13240	8.7
163.11169	23.5
165.09145	1.9
165.12766	5.8
167.10695	3.5
171.11687	18.5
174.07024	0.9
174.10402	2.7
177.05441	1.8
179.14297	7.2
181.12204	1.3
189.12737	73.7
190.13052	1.9
191.14212	1.4
207.13791	71.7
208.14137	1.4
225.14838	51.4
226.15211	1.8
231.05013	3.0
245.18538	1.0
327.12277	3.0
413.18332	1.6
429.20850	1.0
436.24359	0.9
473.13959	2.7
473.20590	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54192	0.9
53.03944	1.4
55.01874	1.8
55.05520	4.4
57.07077	2.5
59.05000	1.4
65.03942	1.0
67.05509	24.6
69.03438	6.6
69.07098	2.1
73.02916	1.2
79.05519	1.9
81.03432	3.9
81.07069	2.9
81.21297	0.9
83.05009	2.2
85.02901	11.8
85.06550	12.2
86.09723	4.0
87.00855	4.9
91.05486	2.8
93.07053	7.2
95.04986	3.1
95.08611	100.0
96.08969	1.5
97.02882	4.7
105.01869	7.8
105.07029	6.7
107.08600	10.1
109.02888	3.9
109.06573	1.1
109.10207	1.6
111.08138	1.4
112.67901	1.2
113.06007	12.2
119.08591	17.4
121.06511	1.5
121.10179	7.9
123.08074	30.7
123.11721	2.3
127.03928	8.2
133.10144	3.0
135.11705	12.1
136.69815	1.0
137.09637	4.2
145.04987	2.9
145.10133	1.2
147.08054	1.8
147.11700	7.3
149.09625	30.6
150.09982	1.0
151.07579	2.1
151.14836	4.4
159.45018	1.0
161.13240	12.5
163.11215	7.6
165.09192	1.2
165.12773	9.0
171.11620	2.2
174.10408	1.8
179.14308	4.2
182.04987	3.9
189.12730	19.6
207.13814	68.1
208.02907	3.7
208.14180	2.8
225.14951	1.2
231.04961	1.7
251.14874	1.3
258.17810	1.0
273.28845	1.0
290.00873	1.2
341.10120	1.6
407.44931	1.1
473.18927	5.0
473.23334	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01876	1.5
55.05512	3.0
57.07075	2.7
59.04992	1.3
65.03938	1.9
67.05504	23.7
68.05493	1.0
68.11127	1.2
69.03419	8.4
69.07060	1.6
71.05020	1.7
71.46614	1.2
72.40896	1.2
77.02019	1.2
79.05502	3.4
81.03397	3.0
81.07046	3.9
83.04979	1.9
83.31773	1.2
85.02901	11.1
85.06540	10.7
86.09708	2.9
87.00826	5.8
91.05479	4.1
93.07040	10.2
95.04964	2.9
95.08603	100.0
97.02882	4.8
105.01852	7.1
105.07007	8.8
107.08603	12.0
109.02871	3.9
109.06534	3.2
109.10135	1.8
113.06029	11.3
116.07079	1.5
119.08589	17.5
121.06528	3.0
121.10126	8.9
123.08061	29.1
123.11636	1.2
124.01900	1.2
127.03918	8.4
131.08553	1.8
133.06509	1.4
133.10129	2.7
135.02950	1.9
135.11691	13.6
137.09628	4.3
137.13286	1.6
147.08022	1.2
147.11696	6.7
149.09618	32.9
151.07591	2.9
151.14830	2.8
159.02840	1.5
161.13255	12.9
161.57494	1.1
163.11221	9.4
165.09103	2.7
165.12790	8.5
171.11641	2.2
177.05507	2.0
179.14297	5.9
182.04924	2.0
189.12735	18.3
207.13802	69.1
208.02925	2.7
225.14925	2.8
242.62810	1.5
249.05988	1.7
293.16733	1.5
311.18625	1.4
414.35349	1.4
429.15250	1.5
473.13840	4.9
473.23096	31.4
474.14337	1.8
474.23181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2151
Annotation	Terretonin A
Peak:m/z	Relative Intensity
55.80011	0.4
57.99216	0.4
58.04288	0.4
59.98109	0.3
64.46566	0.3
65.59051	0.3
71.46018	0.4
71.46390	0.4
133.72269	0.3
151.07518	2.6
189.05240	2.5
219.05031	1.2
220.05804	0.6
223.04611	0.7
237.06100	1.5
268.70197	0.4
309.52661	0.4
458.19180	1.9
473.21393	100.0
474.21698	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86663	1.8
53.03943	1.4
53.99100	1.6
55.05509	11.5
57.03430	2.9
57.07076	3.1
67.05502	22.0
68.99791	2.1
69.03425	10.1
69.07064	16.6
70.06557	2.5
71.04990	2.0
76.02254	1.9
79.05489	8.5
81.03423	6.6
81.07054	23.9
83.04990	9.3
83.08619	6.7
85.02904	8.7
85.06535	5.7
86.09686	2.2
91.05486	6.8
93.07039	14.2
95.04919	2.2
95.08607	36.4
97.02906	3.7
97.06508	2.4
97.10180	3.4
99.08106	5.6
100.11250	2.5
101.02396	10.6
105.07035	7.8
107.08598	23.6
109.02900	4.8
109.06506	12.9
109.10149	88.2
111.08096	4.7
113.09660	2.8
116.01691	2.5
119.03420	14.1
119.08566	34.3
121.06498	2.0
121.10123	14.1
123.08048	16.0
123.11714	7.2
125.09586	3.5
127.03910	6.0
131.08533	1.9
133.10138	17.8
135.11688	88.0
137.05978	3.7
137.09634	16.2
145.10066	2.9
147.11671	3.3
149.13263	7.5
151.11206	5.4
151.14819	12.0
153.12781	3.5
161.61830	1.6
162.02190	5.3
165.09106	2.2
165.16342	3.6
173.04483	2.2
175.14809	40.4
179.04793	1.7
193.15883	49.0
211.16917	100.0
212.17325	2.8
225.32809	2.0
277.21594	11.2
363.08890	2.0
473.27423	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.1
52.86190	0.9
53.03946	11.7
55.01865	3.3
55.05501	2.0
56.05023	1.3
57.03440	2.0
57.07052	1.0
61.02931	1.2
67.01862	3.2
67.05497	4.7
68.99796	2.4
69.03436	30.9
69.07066	2.6
71.04998	12.2
73.02940	1.9
74.11714	1.1
79.05485	4.5
80.05028	1.7
81.03421	43.5
81.07052	7.1
83.04989	2.1
83.08610	3.0
84.04504	5.9
84.08124	1.1
85.02905	17.5
85.06541	15.2
86.09699	3.3
87.00836	22.8
91.05489	3.9
93.07051	8.4
95.04987	2.8
95.08606	4.2
96.04490	4.4
97.02893	26.3
97.06558	4.9
97.10175	1.2
99.04469	12.9
99.08100	1.3
100.02293	1.2
105.01882	16.2
105.07038	12.3
107.08604	9.8
108.29615	1.0
109.02883	59.7
109.06538	7.4
109.10148	3.6
110.03189	1.1
111.08091	3.3
117.01806	1.4
119.08553	5.4
121.10143	11.2
122.10529	1.2
123.08060	4.8
124.03964	1.4
124.64904	1.1
127.03919	100.0
128.04240	1.5
129.01819	4.2
130.05014	6.4
131.08578	6.4
133.10115	4.9
135.08064	8.4
145.04996	7.1
145.10144	3.3
146.02658	1.5
147.02853	1.9
147.07655	5.3
147.11693	2.7
148.08000	1.0
149.09634	3.7
149.13242	2.9
158.10846	1.3
159.02911	7.6
164.03802	1.4
173.13232	9.5
175.14879	1.2
184.13350	1.2
191.14316	30.4
196.60544	1.2
204.14059	1.6
206.15273	1.1
209.15358	4.8
209.35339	1.0
209.39043	1.0
213.03935	19.0
222.15076	1.1
223.15199	1.6
231.04993	27.9
249.06062	1.7
250.14343	8.8
251.14740	5.5
268.15515	2.3
269.15723	3.1
291.19565	7.3
292.19885	6.2
299.04031	4.0
307.68628	1.0
317.05038	18.8
318.05225	1.5
331.18497	3.2
332.19046	1.7
335.06052	11.0
456.30203	1.9
474.28015	3.1
475.21277	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01860	2.2
55.05511	1.1
57.03428	2.1
61.02916	2.3
67.01859	2.7
67.05518	3.6
68.99786	2.8
69.03429	27.2
69.42575	3.1
71.04987	7.9
73.02905	2.5
79.05473	1.9
81.03415	38.7
81.07055	2.3
83.01343	0.8
83.04966	1.5
83.08630	1.1
84.04500	2.1
85.02902	16.8
85.06541	9.1
86.09671	1.2
87.00827	22.4
91.05479	1.4
93.07041	2.9
95.04980	1.7
95.07182	0.8
95.08604	2.2
96.04487	1.6
97.02891	25.5
97.06544	1.7
98.23404	1.8
99.04447	13.0
100.02219	1.6
103.05443	0.7
105.01862	14.5
105.07030	11.1
107.08592	6.2
109.02876	52.6
109.06501	2.2
109.10155	1.2
111.08086	2.0
115.03941	1.8
117.01857	1.0
117.07024	1.5
119.08589	1.3
121.10152	5.6
123.08062	2.2
127.03910	100.0
128.04231	1.1
129.01830	2.4
130.04991	1.9
131.08569	3.2
133.10124	1.8
135.08057	3.3
137.05872	0.8
145.04951	5.3
145.10077	0.9
146.02727	3.5
147.02875	2.5
147.07716	0.9
147.11746	0.9
149.09596	1.0
151.03886	0.7
151.07605	0.9
159.02890	6.8
163.07570	0.8
164.03793	1.4
173.13257	4.8
184.13460	0.8
185.05783	0.7
191.14307	15.4
209.15419	1.0
213.03931	21.5
229.11806	1.3
231.04987	29.1
232.05365	0.8
246.14551	1.0
249.06056	1.9
250.14383	3.1
251.14680	2.5
268.15503	1.4
291.19507	2.0
292.19870	1.9
299.04007	4.4
317.05032	21.1
331.18634	1.7
332.18942	1.5
335.06085	10.3
408.22919	0.8
458.50241	0.7
475.21307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02155	1.0
53.03946	1.9
53.87643	1.1
55.01862	2.2
57.03425	1.7
67.05510	6.7
69.03425	6.4
69.07061	2.0
71.04979	5.6
73.02924	1.4
79.05486	4.5
81.03409	4.8
81.07044	4.9
83.04996	1.8
83.08590	1.2
84.04498	3.0
85.02903	13.6
85.06532	2.5
87.00832	4.2
91.05465	6.1
93.07033	5.3
95.04955	4.7
95.08603	5.8
96.04461	1.8
97.02896	4.5
97.06525	2.4
98.66882	1.0
98.99685	1.0
99.04470	2.2
102.78605	1.0
105.01869	4.4
105.07029	11.5
107.08598	10.5
109.02877	3.8
109.06512	87.0
109.10148	20.9
110.06867	1.2
111.08046	2.4
117.07011	1.6
119.08615	3.9
121.10133	6.7
123.08066	12.6
127.03896	8.1
130.04939	1.3
131.08568	16.3
133.10129	32.5
135.08051	38.4
143.08549	1.5
145.04974	3.5
145.10153	4.0
147.11702	3.9
149.09645	5.2
149.13254	1.1
153.09109	3.5
158.10934	2.7
159.02936	1.7
166.69710	1.1
173.13254	33.2
191.14304	100.0
192.14549	1.9
209.15358	67.3
210.15697	2.1
250.14378	6.1
251.14612	1.4
268.15421	2.5
291.19495	1.2
295.82349	1.2
297.61105	1.2
332.17056	4.4
341.25363	1.1
352.67032	1.3
362.37631	1.2
415.15421	1.6
456.28821	0.9
457.21423	1.2
474.16571	1.7
474.27658	1.4
474.34149	1.2
475.32376	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74306	1.8
53.03937	2.0
55.05513	16.3
57.88280	1.4
67.05505	26.9
67.70910	1.3
69.07076	14.3
69.14025	8.9
72.37531	1.4
79.05038	3.6
79.05497	57.2
81.07059	30.1
83.08630	7.8
85.06548	1.8
89.04940	1.5
91.05484	27.4
93.07049	76.6
95.04975	8.6
95.08607	21.0
97.06544	2.2
97.10174	3.1
97.90189	1.4
98.22681	3.5
98.23386	5.4
105.04512	3.8
105.07018	13.4
107.08602	39.6
109.10168	13.4
111.08073	1.9
117.07069	2.6
119.08590	11.3
121.10155	37.3
123.11703	3.5
131.08589	5.4
133.10136	14.4
135.08145	1.9
135.11700	40.2
145.10143	2.7
146.09674	2.6
147.11705	7.3
149.13266	15.9
151.07530	3.2
159.11728	3.0
161.13290	3.3
163.14871	5.0
167.10765	2.0
171.11678	3.0
173.13240	2.5
174.00134	1.7
185.13336	1.8
195.13861	2.3
202.16048	2.1
211.16679	1.7
213.16432	2.0
221.15414	3.3
235.16959	3.7
241.19463	2.3
259.20544	2.5
275.12909	1.9
277.21640	100.0
278.21991	3.6
279.55261	1.6
340.26410	3.2
349.90497	1.6
355.15182	1.7
368.25958	5.2
386.27075	5.3
404.28027	2.7
433.08972	2.0
474.35883	71.4
475.35754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31233	2.6
55.05507	11.0
55.50299	2.3
56.85815	2.4
57.03438	23.7
67.05503	24.4
69.07065	13.2
69.30216	16.6
71.08630	30.2
74.46836	2.9
79.05482	9.8
81.07063	22.8
83.08611	15.8
85.06523	6.9
91.05462	7.2
93.07037	14.4
95.04987	3.7
95.08621	17.1
97.06522	10.4
97.10160	4.1
98.98472	7.1
99.04463	21.5
99.08081	32.5
105.07059	6.3
107.08583	13.2
109.06490	4.1
109.10137	10.0
111.08060	9.1
117.09145	7.2
119.08547	5.6
121.10110	8.2
128.58653	3.1
133.10109	3.1
135.11687	5.1
149.13263	14.9
159.11696	4.3
167.14233	5.6
173.11731	100.0
195.13748	3.6
225.18501	41.5
231.15855	6.7
243.19513	17.9
249.18468	14.0
267.19498	16.4
269.17487	6.9
338.27802	3.8
341.23169	30.2
439.30554	58.9
440.31015	3.7
474.26770	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57601	0.8
55.05501	5.3
57.03432	2.6
57.07067	1.5
67.05499	6.4
69.07065	8.8
69.62545	3.0
71.08631	8.2
79.05487	2.8
81.07056	10.0
83.08613	5.8
85.06542	2.1
91.05442	1.2
91.46101	0.9
93.07045	6.2
95.08576	3.9
97.06531	3.5
97.10160	1.9
98.98463	3.2
99.08104	6.1
101.05981	0.9
105.07030	1.4
107.08598	4.6
109.10151	2.2
111.08098	2.5
117.07015	0.9
121.10166	2.1
125.09555	1.1
133.10078	1.0
135.04433	1.0
144.35786	0.8
149.13290	5.4
155.01036	1.9
167.14301	2.9
171.13800	100.0
172.14209	1.2
230.32240	0.8
231.15822	4.4
269.17468	27.1
287.18539	3.6
290.52002	0.9
405.16074	1.4
474.26929	2.4
474.38150	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	1.2
57.03433	4.8
57.07071	7.4
58.06598	34.8
59.04977	0.4
59.07380	10.3
60.08162	10.0
67.05501	2.7
69.07065	1.6
69.25002	1.3
69.25400	0.6
71.08276	0.3
71.08624	5.7
73.02887	1.0
75.04475	3.2
79.05463	0.9
81.07051	3.2
83.04935	0.3
83.08620	1.6
84.08112	0.8
85.02903	1.9
85.10178	2.9
86.09683	0.5
87.04470	4.1
91.05451	0.6
93.05509	0.4
93.07032	0.6
95.08607	3.7
97.10133	1.1
100.11236	0.4
105.05512	0.8
105.06987	0.5
107.08518	0.4
109.10190	1.5
111.11531	0.3
113.05977	0.9
123.11691	0.5
124.21822	0.3
131.07088	1.9
132.74278	0.3
144.09045	0.6
144.10178	9.5
159.06519	0.7
162.11221	2.0
200.12791	0.6
218.13823	0.9
236.14905	92.8
237.15169	1.6
313.27362	1.9
315.09036	0.4
369.29935	0.4
412.37842	1.1
456.36816	22.1
457.37421	0.8
474.37875	100.0
475.38171	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02397	0.7
53.03952	0.7
55.01876	0.5
63.02383	0.2
65.03951	0.6
67.05516	0.6
69.48639	0.2
69.48962	0.9
77.03915	2.3
78.04707	2.9
79.05495	7.5
81.07060	0.8
83.04990	0.2
91.05482	5.7
91.06056	0.3
93.07041	0.9
94.04190	0.7
95.04968	4.2
96.01872	0.2
96.05767	0.3
103.05468	10.6
105.03393	2.3
105.04499	1.9
105.07040	3.6
106.04176	1.2
107.04958	7.5
108.05738	0.7
109.06518	1.3
111.08049	0.2
115.05452	5.1
116.06244	0.4
117.07012	2.1
118.04189	0.3
119.04935	1.9
119.08601	0.2
120.05701	0.4
121.06505	2.7
122.03664	0.9
123.04433	5.7
123.08067	1.9
124.05210	2.2
125.05985	0.5
128.06221	3.3
129.07013	3.7
130.07776	0.5
131.04930	17.0
131.08571	1.8
132.05707	0.4
133.06497	4.9
134.03654	0.7
135.04413	100.0
135.07968	2.1
136.04674	2.0
137.05974	8.7
138.06256	0.3
141.06956	2.0
143.04933	3.6
143.08560	4.8
144.05690	1.4
145.06493	4.5
145.10100	0.5
147.04367	0.4
147.08051	1.0
148.05188	0.6
149.05977	16.1
150.06407	0.3
151.02809	0.2
151.03944	1.2
151.07539	13.8
152.04677	2.0
152.07907	0.2
153.05412	0.4
153.06963	0.3
155.04883	0.6
155.06052	0.6
155.08563	0.4
156.05699	0.3
157.06497	2.9
158.07283	2.1
159.04408	0.5
159.08066	3.0
160.05202	1.2
161.05978	15.6
162.06459	0.3
163.07544	18.4
164.07898	0.3
166.06177	0.4
167.07036	65.9
168.07373	1.4
169.06477	1.1
169.07622	0.3
171.04271	0.4
171.08063	4.6
172.05247	1.3
172.08784	0.8
173.05989	9.3
173.09621	1.6
174.06636	0.4
175.07545	4.4
177.05539	0.4
179.07056	0.4
181.07007	0.2
181.08604	3.9
185.05981	18.0
186.06709	2.2
187.07536	9.7
187.09253	0.4
188.07910	0.4
189.09096	0.3
190.07748	1.4
191.06923	0.4
193.08594	4.0
195.10129	1.0
199.07559	2.2
201.09103	12.0
202.07846	0.4
202.09564	0.3
203.06953	0.4
203.08574	1.0
204.07765	0.5
205.06940	0.2
205.08522	0.9
205.10127	2.6
206.08989	0.3
207.08191	0.4
207.10146	1.7
210.06883	0.3
215.08556	1.8
217.08517	0.5
217.10315	0.3
218.07257	1.4
218.09253	0.4
219.08008	0.6
219.10115	5.0
222.06834	0.3
223.07494	0.5
231.08101	0.4
232.08797	0.3
233.09561	4.4
233.11711	7.3
234.06795	0.2
235.07510	0.7
236.08199	0.4
243.07948	0.3
245.09682	0.3
247.07457	0.2
248.08275	0.5
249.09198	0.4
250.09846	0.4
260.08237	0.2
261.09106	2.9
262.09592	0.3
263.06894	0.3
263.07611	0.3
263.10608	2.6
265.12207	1.2
273.09134	1.3
275.10416	0.2
276.07742	0.5
291.06876	0.4
291.10147	8.5
292.10660	0.7
293.11624	2.1
295.13220	0.5
305.11658	0.7
308.10373	0.8
323.12784	16.9
324.13074	0.8
325.14246	1.3
337.14291	0.4
340.12866	0.3
353.13812	0.3
355.15390	11.7
356.15503	0.4
373.16394	0.9
412.39114	0.2
436.51208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.88317	0.9
55.01861	2.9
55.05506	2.4
57.03421	3.0
58.87732	1.0
61.02934	2.2
67.05490	2.3
69.03432	12.0
69.07053	1.7
70.06584	5.0
71.05000	4.6
72.08153	2.0
72.83952	1.0
73.02895	2.2
79.05472	3.2
81.03416	9.8
81.07047	3.8
83.04980	2.3
83.08611	1.2
83.44621	0.8
85.02404	1.9
85.02905	33.0
85.06551	2.7
86.09718	1.3
87.00831	16.3
91.05485	4.9
93.07059	7.0
95.04948	1.4
95.08613	5.7
97.02888	12.8
97.06524	2.8
99.04455	8.6
105.01866	15.1
105.07030	14.3
107.08590	9.4
109.02866	10.7
109.06508	3.1
109.10148	3.9
111.08051	1.6
111.42205	1.1
115.07455	1.0
115.15583	1.0
117.07022	2.2
118.07733	0.9
119.08595	5.6
120.04455	1.9
120.08127	1.4
121.06490	1.6
121.10143	10.3
123.08099	2.4
123.11739	1.4
125.09643	1.4
127.03922	19.3
128.95834	0.9
129.01842	1.7
130.88698	0.9
131.04886	1.9
131.08572	13.6
132.07532	0.9
133.10127	100.0
134.10455	2.5
135.08052	2.6
135.11670	4.5
137.05995	3.1
137.09610	1.3
143.08524	2.6
145.04951	7.1
145.10132	5.8
147.02884	1.3
147.11688	3.9
149.09615	47.9
149.13284	5.1
151.03862	1.2
151.07567	4.4
151.11176	8.3
157.10078	1.3
158.10881	4.4
159.02916	2.6
163.11148	1.2
163.14812	5.2
171.11650	1.5
173.13255	46.2
175.14818	3.6
177.05714	1.1
186.07545	1.0
189.03946	1.0
191.14305	48.6
192.14612	1.5
209.15361	35.0
210.15729	1.5
210.78886	0.9
213.03848	1.7
227.16402	11.5
231.04927	5.1
263.13956	1.3
313.16556	1.8
474.84628	1.1
475.21078	5.8
475.32513	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.1
53.03941	0.1
55.01867	0.1
58.91388	0.1
65.03914	0.6
66.04720	0.2
67.05498	0.3
69.16534	0.4
69.70824	0.1
71.13773	0.1
75.04469	0.4
77.03926	0.3
78.04704	0.3
79.05491	1.2
80.06264	0.9
81.07059	0.1
89.03925	0.2
90.04686	0.9
91.05473	4.7
92.05759	0.1
92.06277	0.2
93.07035	0.7
94.04211	0.1
95.04958	0.7
98.22657	0.2
103.05455	0.7
105.03373	0.5
105.04510	0.2
105.07021	1.0
106.04157	0.9
106.67361	0.1
107.04948	7.1
107.08593	0.3
108.05746	3.0
109.06523	1.0
115.05418	0.6
116.06215	0.1
117.06972	0.5
118.04140	0.4
119.04930	0.4
119.06047	0.5
119.08544	0.2
119.43083	0.1
120.05700	0.3
121.02890	0.1
121.06499	2.9
122.03641	0.2
122.07274	0.2
123.04450	0.3
123.08083	0.8
124.05199	0.1
128.06180	0.4
129.06970	0.8
131.04909	0.8
131.08548	0.3
133.06491	1.8
133.07495	0.2
134.07216	0.3
135.04410	3.4
135.08041	2.2
135.09062	0.2
136.05188	12.7
137.05978	3.9
137.09563	0.2
138.06749	0.7
139.07524	0.4
141.07019	0.1
142.07838	0.2
143.04912	0.7
143.08568	0.3
144.05704	0.4
145.06473	1.4
146.07257	1.3
147.04416	0.2
147.08040	3.3
148.05170	2.2
149.06009	0.9
149.07074	0.2
149.09605	0.3
150.06747	3.4
151.07529	100.0
152.07851	2.1
153.09096	0.7
155.06111	0.1
156.05672	0.2
157.06497	1.2
157.10069	0.2
158.07234	0.8
159.04373	0.2
159.08044	1.5
160.05190	0.4
160.08839	1.0
161.05981	0.8
161.09604	0.5
162.06731	0.4
163.07533	2.0
164.08322	1.5
165.05476	0.5
165.09100	12.6
166.06244	4.2
166.09570	0.4
167.07022	0.5
167.10585	0.1
169.06451	0.2
170.07281	0.2
171.08022	1.4
172.05200	0.1
172.08852	1.0
173.05972	1.2
173.09575	0.5
174.06749	1.3
175.07510	1.8
176.08315	1.0
177.09100	6.1
178.06215	0.1
178.09613	0.2
179.07014	0.3
179.10643	1.7
180.07835	0.6
181.08580	14.4
182.09007	0.4
185.09647	0.4
186.06755	0.3
186.10390	1.5
187.07521	2.3
187.11012	0.1
188.08307	4.1
189.09085	4.8
190.09839	0.6
191.06921	0.1
191.10657	3.1
191.12401	0.2
193.08597	1.5
194.09283	0.1
195.10135	2.0
200.08122	0.1
201.09088	2.2
201.10791	0.2
202.09869	3.0
203.07098	0.6
203.10654	5.2
204.07794	0.2
204.10989	0.3
205.08488	0.2
205.12132	0.2
207.10150	1.1
215.10623	0.4
216.11378	0.3
217.08675	0.4
217.12218	9.2
218.09337	0.3
218.12546	0.3
219.10141	0.6
221.11664	0.3
231.10187	0.6
233.09604	0.1
233.11694	1.8
238.09651	0.1
245.09503	0.1
247.13277	0.3
259.11124	0.1
262.09833	0.1
265.12024	0.1
276.11340	0.1
277.12277	0.3
291.13806	0.5
292.14481	0.3
293.11575	0.2
308.14139	0.2
309.14758	0.6
323.16382	1.9
324.16934	0.4
325.14227	0.2
340.16663	15.5
341.17072	0.9
351.15939	0.2
352.16934	0.2
353.17392	0.6
355.19003	10.2
356.19415	0.6
369.16956	0.1
373.20059	0.3
379.18961	0.3
383.18488	0.6
384.19244	0.6
400.18768	2.2
401.19278	0.1
415.21118	4.5
416.21341	0.2
433.22110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01877	3.9
57.03436	2.0
60.04525	0.8
61.02913	0.8
68.99761	0.8
69.03416	5.3
70.06580	1.3
71.04993	1.4
71.25947	0.7
72.08153	1.1
73.02911	2.0
79.05475	4.0
81.03413	6.5
85.02900	15.4
86.09707	2.0
87.00340	0.9
87.00826	6.1
91.05458	1.5
95.04963	1.1
97.02887	7.3
99.04430	2.9
103.05444	4.5
105.01865	4.8
105.07024	39.2
106.07379	1.2
108.04475	3.1
109.02866	5.3
115.05457	8.4
117.01807	1.4
118.04185	3.2
119.04965	1.1
126.05542	1.8
127.03923	9.7
131.04950	1.5
131.08717	0.8
133.06485	43.0
137.02292	1.0
143.05003	0.9
143.06003	3.3
145.04945	4.5
147.04393	1.4
149.05907	1.0
151.07527	0.8
159.02809	4.1
161.05968	89.1
162.06332	2.3
163.03845	1.4
166.81396	0.6
193.08586	100.0
194.08858	2.7
196.06160	0.7
211.09679	1.8
230.06572	1.0
231.04965	1.1
242.68243	0.7
248.07600	2.2
259.09860	0.8
266.08588	1.2
315.04929	3.3
406.18839	0.7
476.16409	3.4
476.25333	2.0
477.17490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.47914	1.8
57.03438	13.0
59.05000	2.0
60.04527	3.2
69.03434	54.5
69.03809	4.2
70.06596	8.3
71.02003	1.9
72.08156	6.3
73.02902	4.1
81.03442	3.9
84.08147	6.0
85.02905	36.9
86.09703	12.2
87.04469	37.9
91.05486	5.9
95.08604	2.2
97.02890	46.1
99.04456	3.2
105.07002	8.5
109.02879	3.0
110.07187	2.1
111.04462	3.0
115.03933	65.5
118.08652	2.0
119.04947	16.3
123.04510	1.9
127.03939	5.8
133.04970	62.2
133.06483	4.2
145.04968	4.6
147.04399	100.0
148.04758	2.6
150.07631	22.0
156.13861	1.9
161.05954	12.1
165.05472	69.2
174.14919	2.9
177.05528	4.0
180.08704	2.7
189.05482	6.2
193.08585	11.8
193.36224	2.0
207.06564	8.3
211.13358	3.3
230.11380	2.5
243.06523	3.8
261.07553	3.0
274.46039	1.9
277.09280	1.7
279.08560	3.9
312.12927	2.3
315.04883	8.7
475.25299	4.1
476.14801	2.8
476.20764	7.0
476.26398	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65190	3.1
55.05507	9.4
56.04001	3.2
60.15997	3.0
67.05501	16.6
69.07047	5.3
70.17902	3.4
79.05502	10.4
81.07050	18.8
91.05519	5.4
93.07056	9.2
95.08613	12.0
98.06071	12.9
98.37119	3.4
107.04935	5.9
107.08608	6.5
109.06552	4.1
111.04514	3.3
121.06477	5.3
121.10174	6.1
137.06026	8.5
139.03870	4.6
145.06561	4.2
151.07536	36.5
152.08318	11.5
153.05490	23.4
154.06232	29.8
165.09116	6.1
167.07063	6.9
188.08337	5.3
189.08842	4.5
191.06992	4.1
202.09612	4.0
203.10641	8.7
205.08629	6.8
215.10667	6.3
216.11031	11.1
218.09166	3.9
234.12105	4.5
275.12775	12.8
276.13171	22.1
296.13544	4.2
303.86304	3.2
304.26328	100.0
324.13330	3.4
356.15762	5.0
475.36182	8.9
476.20013	5.2
476.26651	9.7
476.35623	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16132	0.7
70.06588	0.7
70.52842	0.7
70.53152	0.9
72.08138	0.9
79.05518	0.7
84.08138	1.7
91.05448	0.7
93.07056	1.3
98.97582	1.0
100.52538	0.6
103.05463	5.9
107.04961	1.8
120.08099	100.0
121.08429	1.7
129.10237	1.6
130.97379	0.6
131.04968	2.9
135.55145	0.7
140.06841	2.6
149.05948	1.4
165.05472	0.6
166.08624	49.9
167.08980	1.0
206.06146	0.7
310.59647	0.8
458.27551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.54361	1.7
55.05506	5.7
57.03434	21.5
57.07057	3.7
59.05000	5.7
60.04494	1.7
61.02922	2.4
62.13193	1.5
67.05492	4.1
69.03426	57.7
69.07057	8.7
69.30882	3.6
69.31286	4.9
71.04996	4.3
73.02923	4.2
79.05484	12.1
81.03424	3.9
81.07067	9.9
85.02901	41.3
85.06512	2.1
87.03961	3.6
87.04465	39.9
91.05467	10.1
93.07043	15.4
95.04977	3.8
95.08607	25.5
97.02884	46.6
97.03484	3.4
99.04450	3.4
99.08106	7.1
105.07027	50.5
107.04949	100.0
107.08587	26.2
109.02876	4.6
109.06509	3.0
109.10152	2.5
113.09594	2.9
115.03925	70.3
117.07014	2.0
119.08572	54.4
121.10145	3.8
123.11735	4.5
123.90529	1.5
124.05196	8.3
127.03924	9.4
131.04936	2.1
131.08545	2.0
133.04962	72.8
133.06508	5.5
133.10126	56.6
135.11693	33.7
137.05963	11.7
137.09636	4.2
145.04976	8.6
147.11688	4.1
150.07651	9.4
163.06064	2.3
165.09111	27.4
172.73689	1.7
175.14807	91.0
176.15167	2.1
180.08667	2.0
189.09096	3.0
193.15883	12.8
201.09206	2.1
203.73297	1.6
231.05081	1.8
241.06956	2.5
259.07962	2.1
277.09076	2.3
341.80615	1.7
476.32489	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03276	1.2
60.51327	0.9
62.08319	0.9
69.26057	4.7
71.63370	1.0
77.03916	1.8
78.04678	1.1
79.05465	2.7
79.95766	1.0
91.05469	4.1
103.05455	2.3
105.03407	2.1
105.07019	3.2
107.04955	7.0
108.05713	4.0
111.64886	1.0
115.05421	1.4
117.07021	3.0
121.06500	7.1
123.08055	1.4
128.06219	2.9
129.06973	2.6
131.04922	4.5
133.06500	11.2
133.44876	1.2
135.04413	84.7
135.08080	1.4
136.05235	6.9
137.05977	2.8
143.08540	3.5
145.06462	4.0
146.07253	4.5
147.08015	3.9
149.05971	7.0
150.06761	3.5
151.07536	100.0
152.07896	3.0
157.06502	3.1
161.05942	2.6
162.06746	1.6
163.07526	11.9
165.09085	13.6
171.08105	5.1
173.05978	4.2
174.06702	2.6
175.07512	1.8
176.08180	1.5
177.09102	26.9
179.10718	1.5
186.10390	1.8
187.07556	6.4
188.08273	3.9
189.09062	6.0
191.10672	2.4
201.09114	12.7
202.09781	2.4
203.10645	9.3
217.12231	6.4
307.13269	2.4
308.13937	1.3
309.14682	6.6
321.14752	2.0
324.13489	4.0
339.15900	37.3
340.16202	3.0
399.43585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.6
57.03432	19.7
57.07070	4.2
57.94435	2.0
59.01960	2.4
59.04984	2.4
67.00887	2.1
67.05521	2.6
69.03062	4.0
69.03426	52.4
69.07045	7.1
70.73673	3.4
70.73998	3.0
70.80623	2.7
71.04988	2.6
73.02897	4.3
77.03956	2.2
79.05481	9.0
81.03410	5.4
81.07069	12.5
85.02893	39.5
87.04465	36.9
91.05466	5.4
93.07037	19.6
95.04961	3.6
95.08588	19.3
97.02877	39.8
99.08083	8.8
105.07022	60.8
107.04955	89.7
107.08588	29.5
109.02882	4.5
109.10136	4.0
113.09668	3.3
115.03917	53.0
119.08572	61.4
121.10137	3.8
123.11740	5.4
124.03946	2.3
124.05171	6.1
127.03917	8.6
133.04950	60.2
133.06451	3.9
133.10121	70.5
135.11687	43.2
137.05968	12.9
137.09596	5.4
145.04961	8.8
147.11552	2.2
150.07646	7.2
151.07491	2.5
152.82896	2.2
154.40524	2.6
159.30373	2.8
161.94023	2.4
165.09102	26.8
175.14813	100.0
176.15121	3.1
181.99141	2.6
189.09100	2.8
193.15875	16.4
221.91353	3.3
319.10062	2.3
476.32761	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01867	0.7
55.05510	1.6
57.03430	0.9
57.07076	0.5
58.90595	0.2
60.67289	0.2
61.02925	0.6
63.30843	0.3
67.05478	0.9
68.99804	0.4
69.03426	2.9
69.07063	5.7
69.12502	1.8
69.12904	0.5
70.09778	0.3
71.01344	0.3
71.04972	1.2
72.74556	0.3
73.02914	0.6
79.05473	0.9
81.03412	2.9
81.07050	1.3
83.08608	1.1
85.02906	7.4
87.00822	3.6
91.05470	3.0
93.07036	1.8
95.08601	4.4
97.02889	4.0
99.04448	1.3
103.05424	0.3
105.01868	2.9
105.07026	6.5
107.08588	2.6
109.02867	2.8
109.10153	2.0
115.03925	0.4
117.01849	0.5
117.06976	0.7
117.19698	0.4
119.08576	25.8
120.08864	0.4
121.10146	2.6
124.20354	0.3
127.03905	4.6
131.08543	0.5
133.10120	24.0
134.10507	0.5
135.11676	1.8
137.09598	0.8
145.04977	3.0
145.10149	1.9
147.02864	0.4
147.11652	3.6
159.02904	1.7
160.12451	0.7
173.13249	1.0
175.14812	100.0
176.15138	3.4
177.16402	2.0
187.07545	0.5
193.15866	5.2
231.05003	1.5
249.06085	0.4
280.24713	0.3
305.54327	0.3
344.52609	0.3
410.33749	0.4
476.32693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16761	0.7
53.03940	1.5
55.01863	1.4
55.05511	2.8
57.03449	1.0
61.02908	1.5
67.05489	2.7
69.03434	5.0
69.07066	2.6
69.63280	3.6
70.89808	0.9
71.04976	2.3
73.02893	1.2
79.05486	1.7
81.03403	3.7
81.07053	8.7
83.04960	0.9
83.08591	1.3
85.02905	15.3
87.00834	7.1
91.05464	3.5
93.07047	4.6
95.08611	12.7
97.02872	6.9
99.04453	2.1
99.08089	6.6
100.11256	1.1
104.17136	0.9
105.01856	6.9
105.07024	7.6
107.08575	9.3
109.02862	4.8
109.06489	1.3
109.10170	5.7
113.09635	1.7
117.07008	0.9
119.08575	57.4
119.56911	0.8
121.10138	2.2
123.11713	4.7
127.03923	10.5
128.07054	0.9
133.10120	97.7
134.10468	2.1
135.11682	22.8
137.09669	1.0
145.04953	4.5
147.11670	2.7
159.02878	2.5
160.12564	0.9
161.05995	0.9
175.14810	100.0
176.15094	2.2
193.15860	27.1
211.16908	36.2
231.04803	2.1
243.91211	1.0
250.79578	0.9
417.09189	1.1
475.82678	18.2
476.32800	7.7
476.82553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95099	1.0
55.05508	6.5
57.03445	1.4
62.06096	15.7
65.03907	1.5
67.05514	20.3
69.07075	6.0
70.73351	1.5
70.73692	1.2
79.05087	1.8
79.05495	12.3
81.07056	18.5
83.08625	2.4
85.05268	2.6
86.06094	1.1
91.05503	7.4
93.07047	10.1
95.04958	1.5
95.08606	13.5
97.10172	1.4
98.06071	12.1
98.23230	1.7
98.98461	5.1
105.07032	5.8
107.04967	2.5
107.08620	5.8
109.10149	3.9
112.52926	1.0
117.07034	3.2
119.08564	2.5
121.06535	2.4
121.09373	1.1
121.10117	5.2
123.08105	1.5
123.11730	1.9
129.07005	1.1
131.04932	1.2
131.08588	1.5
133.06497	5.7
133.10133	3.1
135.04425	43.6
136.05206	3.5
137.06026	2.5
145.06444	2.7
146.23991	1.1
147.08076	2.1
149.05978	1.9
149.13319	1.4
150.06738	2.4
151.07547	48.4
163.07552	6.8
165.09119	8.7
171.08002	2.6
173.05933	1.6
177.09126	13.0
187.07591	2.7
189.09001	2.5
198.05206	1.2
201.09117	5.9
203.10802	6.1
216.06381	2.0
217.12241	3.6
247.18617	1.2
261.22211	1.9
304.26358	100.0
305.26666	4.6
306.59525	1.1
309.14865	3.4
321.15057	1.4
324.13553	3.3
335.25827	37.6
339.15912	18.3
458.26584	2.1
476.27551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41559	0.6
67.05494	2.5
69.07066	1.4
70.06589	100.0
70.84192	1.1
79.05473	0.8
81.07051	3.1
81.75821	0.6
83.08635	0.9
91.05483	1.2
94.99073	0.6
95.08611	1.7
98.51266	0.6
101.16413	0.6
121.10154	0.9
122.59928	0.6
128.07100	1.5
130.08636	86.7
131.08975	1.2
161.13159	0.8
207.66843	0.6
236.31758	0.6
242.66516	0.7
416.38974	3.2
476.40955	30.1
477.41077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
67.05496	1.5
68.05009	1.1
70.06586	100.0
70.46510	0.6
70.78970	0.9
71.06905	0.5
79.05473	0.8
81.07047	1.5
83.08650	0.7
83.11469	0.5
86.70718	0.5
93.06998	0.6
95.08614	1.7
95.79886	0.5
103.69007	0.6
107.08677	0.6
113.98402	0.5
115.89187	0.6
121.10122	0.5
130.08632	68.1
131.09023	0.5
146.84000	0.5
182.82892	0.6
187.27802	0.5
416.38876	2.1
437.44861	0.6
476.40961	24.4
477.41074	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2124
Annotation	Norcaesalpinin D
Peak:m/z	Relative Intensity
51.02396	0.6
53.03963	0.4
55.01876	0.9
59.40174	0.2
60.48318	0.2
63.02383	0.4
65.03945	0.5
66.04720	0.8
67.05508	1.0
71.45539	0.4
77.03921	0.8
78.04710	1.9
79.05486	5.3
81.07056	1.7
83.05022	0.4
91.05476	5.4
93.07041	0.8
94.04184	3.9
95.04980	2.5
95.08622	1.1
96.05747	0.3
97.06504	0.3
103.05470	12.7
105.03393	0.5
105.04526	0.9
105.07037	3.7
106.04198	1.6
107.04961	8.3
108.05757	1.4
109.02795	0.3
109.06513	2.5
111.04459	0.6
115.05454	6.9
117.07027	2.3
118.06535	0.3
119.04958	1.7
119.08546	0.5
121.06526	3.0
122.03654	10.7
123.04437	5.7
123.08067	3.4
124.05235	2.9
125.06030	0.6
128.06230	2.4
129.07004	2.4
131.04932	17.1
131.08565	1.5
132.05733	0.5
133.06488	5.1
134.03676	0.6
135.04411	0.6
135.08061	3.1
136.04274	0.2
136.05200	1.7
137.05981	100.0
138.06284	1.9
138.88538	0.2
141.07033	2.1
143.04927	5.8
143.08578	2.7
144.05740	2.2
145.06491	4.0
145.10152	0.8
146.07272	0.7
147.04410	0.8
147.08084	1.5
148.05246	0.3
149.05962	1.3
151.03941	0.9
151.07544	42.1
152.04700	1.7
152.07913	0.4
153.05475	1.1
153.06854	0.2
155.05983	0.6
157.06479	3.3
158.07332	2.1
159.04440	0.5
159.08072	2.3
160.05202	4.1
161.05984	2.5
162.06630	0.4
163.07549	44.8
164.07889	0.8
165.05516	0.5
165.09142	1.0
166.06241	0.3
167.07040	66.9
168.07468	2.3
169.06465	1.0
169.07816	0.5
171.08052	3.5
172.05176	2.1
172.08798	1.1
173.06007	2.0
173.09631	2.1
174.06723	2.7
175.07549	27.3
176.07971	0.6
177.09161	1.3
179.07001	1.5
181.06473	0.3
181.08583	2.5
184.07455	0.3
186.06786	0.7
187.07538	13.3
188.08327	2.7
189.09105	6.4
190.07739	1.2
190.09383	0.5
191.06938	0.4
191.08514	0.3
192.07848	0.3
193.08630	3.9
200.08253	0.3
201.09126	5.9
203.08855	0.6
203.10670	15.0
204.06512	0.3
204.09381	0.4
205.08382	1.2
205.10222	2.3
206.09059	0.4
207.08199	0.6
207.10147	0.7
209.09749	0.3
212.08321	0.5
215.08575	1.9
215.92963	0.3
217.08499	0.4
218.07356	1.0
218.09282	0.3
219.08087	0.5
219.10097	2.6
221.09653	0.5
221.11700	0.7
222.10350	0.3
225.09047	0.4
231.08119	0.4
232.08769	0.6
233.09573	4.8
233.11737	8.1
235.07635	0.4
237.09106	0.5
239.10666	0.4
243.07933	0.4
249.09012	0.4
250.09917	0.8
251.10634	0.5
253.12349	0.4
255.13837	0.6
260.08194	0.4
261.09094	4.4
261.11658	0.3
264.11768	0.3
265.12253	5.3
272.20029	0.3
275.10556	1.6
278.09256	0.7
279.10187	0.3
279.13803	1.1
290.21094	0.5
292.11084	0.3
293.11722	10.6
294.12201	0.7
297.11853	0.3
297.14795	1.6
307.13293	2.0
310.12128	0.4
325.14337	23.7
326.14725	1.0
331.06866	0.3
339.15851	0.3
342.14719	0.3
343.15466	2.6
355.15292	0.6
356.16006	0.3
357.16956	12.1
358.17334	0.6
367.15244	0.3
375.18073	1.2
385.16284	0.4
417.18723	0.3
431.33459	0.3
445.18155	0.7
476.33368	0.4
477.24039	0.5
477.34113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
63.33777	1.1
67.05508	1.2
71.46394	1.3
79.05513	1.6
81.07065	1.7
85.06503	0.9
91.05507	3.1
92.67060	0.8
93.07067	1.7
95.08634	1.9
105.07054	1.7
115.05476	2.3
117.05798	1.6
117.07063	2.3
118.06535	42.5
119.06898	0.9
123.09217	1.1
125.09715	0.8
130.06638	1.3
131.07381	1.7
132.08063	6.3
133.08913	1.0
134.09688	1.8
142.06569	3.6
143.07350	2.2
144.08081	17.0
146.05998	71.3
146.09622	5.2
147.06499	1.2
156.08495	0.9
160.07565	1.0
160.11281	1.1
162.38499	1.0
168.08569	0.9
170.06024	5.9
174.12894	1.3
183.99452	0.8
188.07054	37.1
244.20662	1.9
272.20084	46.5
273.20477	1.0
290.21112	100.0
291.21698	3.0
298.72055	0.9
330.20822	2.8
348.21765	2.1
364.41391	1.0
412.96274	1.0
431.33344	1.1
459.24075	1.8
467.60379	0.9
477.27673	87.2
478.27917	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2751
Annotation	Emetamine
Peak:m/z	Relative Intensity
55.05527	0.9
60.49905	0.9
67.05502	1.0
69.39912	0.8
79.05508	1.2
81.07060	2.0
91.05476	3.0
95.05028	0.9
95.08621	1.3
95.37273	0.8
105.07047	2.1
107.08585	1.1
115.05447	1.5
117.05757	1.2
117.07008	2.0
118.06552	36.7
119.08525	1.1
121.10101	0.9
123.08127	0.9
123.09134	0.9
125.09610	0.9
130.06555	1.8
131.07317	1.9
132.08130	6.3
133.08862	2.3
137.05975	1.1
142.06520	2.8
143.07301	2.8
144.08105	17.2
146.06013	63.2
146.09656	4.1
151.07556	1.4
157.10272	0.9
160.11211	1.6
170.06020	4.4
188.07074	30.9
244.20590	2.0
265.19800	1.2
265.25595	0.9
272.20090	44.3
273.20313	2.0
290.21152	100.0
291.21478	1.8
330.20721	2.3
348.21768	2.3
459.11209	1.1
459.23453	2.7
477.27777	70.1
478.28110	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14397	1.5
70.90019	2.2
79.32108	1.9
84.08124	2.3
84.51849	1.6
86.09702	2.3
98.97601	5.0
116.98606	2.3
119.01912	2.7
123.96814	1.5
125.76750	1.5
131.01927	3.1
134.99800	2.5
136.06143	2.1
137.19870	1.6
145.02859	2.2
147.04395	2.9
151.45213	1.9
153.72224	1.8
154.08662	1.7
155.01891	2.9
158.99973	2.0
174.87589	1.6
177.00954	25.8
177.05486	4.1
177.83931	1.5
178.05759	1.7
179.46298	1.7
189.39107	1.6
197.02986	9.5
201.00911	26.0
203.02574	5.2
205.00505	7.0
213.00941	5.2
215.02533	5.4
216.98636	2.3
219.01990	85.5
220.02158	8.0
221.01741	2.3
225.01140	2.2
227.02496	11.9
229.00476	3.8
229.04100	3.5
231.02019	5.7
237.00972	5.1
239.02539	2.0
241.03978	2.5
242.03743	1.9
243.01978	47.7
244.01904	3.5
245.03612	8.7
246.03680	1.8
247.01465	3.4
255.02007	51.3
256.02200	3.2
258.99585	1.7
261.03055	40.9
262.03259	2.8
267.02017	6.1
269.03592	6.8
273.03006	24.8
274.03262	3.2
276.04572	1.6
279.01987	3.8
281.03467	2.8
285.03040	16.0
285.17377	1.7
291.79803	1.6
293.03653	12.2
295.59717	1.7
297.03085	42.5
298.03314	2.7
303.04047	12.1
307.05191	1.8
309.03091	3.0
311.04593	8.6
312.03806	2.0
317.03564	4.0
327.04092	2.3
335.04694	19.2
336.07684	1.9
345.05109	12.6
347.04599	8.3
353.05862	2.1
354.05130	2.6
363.06433	3.7
365.05795	8.1
377.05826	2.3
395.06674	2.8
398.07648	1.9
436.04196	2.0
437.07687	10.1
455.08850	100.0
456.08926	9.8
473.09946	36.9
474.09940	4.6
478.11124	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03434	20.0
59.04995	3.2
59.30223	1.7
60.04520	4.3
61.02917	2.6
62.06075	1.9
65.54797	1.6
66.85913	1.6
69.03427	86.8
69.76660	5.4
70.06580	6.2
70.08738	1.4
72.08160	2.0
72.49211	1.3
73.02889	2.3
75.04482	2.1
80.99424	1.3
81.03406	2.5
83.04965	3.3
85.02406	3.3
85.02903	61.4
85.03413	3.0
87.04463	57.3
91.03959	1.8
91.33927	1.3
97.02892	60.7
99.04464	3.3
107.04939	14.1
109.02862	2.7
111.04414	1.9
115.03931	88.7
117.03111	2.2
118.08558	2.2
121.06508	2.4
127.03938	7.9
128.10649	1.6
131.04930	10.8
133.04965	100.0
137.05998	2.0
145.04977	12.8
145.06496	3.0
149.05975	15.6
150.07617	27.6
151.34370	1.6
163.06030	2.6
165.05490	2.5
167.07063	12.1
169.05078	2.5
173.05972	16.9
174.14905	1.9
180.08641	4.6
191.07063	10.7
203.07030	4.4
215.07045	3.8
233.08121	2.6
241.06943	2.4
245.08124	5.8
259.08151	4.8
275.09222	2.1
295.10080	2.6
312.12894	2.8
315.04944	3.6
316.05338	7.6
317.06436	5.5
346.15094	1.7
479.17542	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19046	2.2
51.95388	2.2
54.76012	2.0
66.86157	2.1
69.03429	10.7
69.66063	6.7
79.05492	3.0
85.02901	7.9
86.09685	2.4
90.76965	2.5
91.05472	5.3
92.76640	2.2
97.02885	7.2
100.02200	4.3
107.08593	3.6
109.06520	12.0
111.04443	6.8
115.03929	5.4
119.08596	7.8
121.06492	5.0
133.05014	4.7
133.10155	5.0
135.08035	4.2
137.05966	4.1
140.06773	2.9
145.10184	5.1
147.08037	14.2
159.08044	5.9
161.09596	15.2
167.22112	2.3
173.09602	4.6
189.09067	17.3
199.11150	4.0
201.09096	4.2
202.09698	2.7
207.10159	83.6
208.10414	3.2
215.10706	3.1
219.10260	4.9
227.10689	2.7
245.11548	3.4
256.40527	2.3
263.12747	8.5
281.13828	100.0
282.14273	3.2
328.42847	2.1
341.45264	2.1
451.59219	2.5
478.19165	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98014	0.3
62.07066	0.3
65.03947	0.6
69.26985	2.0
79.05483	1.9
80.06297	0.4
81.07054	0.8
90.04686	0.4
91.05475	4.5
93.07070	0.6
94.04200	2.2
95.04987	0.5
103.05470	1.3
105.07034	2.0
107.04960	4.7
108.05751	2.1
109.06519	1.4
115.05468	0.7
117.07040	1.3
118.04097	0.6
119.04911	0.7
121.06499	5.3
122.03644	5.6
123.08010	0.5
128.06233	1.3
129.06998	1.1
131.04910	2.1
133.06485	12.1
133.07498	0.7
135.04442	1.9
135.08046	1.3
136.05211	8.2
137.05975	77.0
138.06334	1.5
143.04897	1.2
143.08530	2.7
145.06476	2.2
146.07260	1.7
147.08051	4.2
149.05975	0.6
150.06763	2.7
151.07539	100.0
152.07927	1.4
153.09073	0.7
157.06514	2.8
158.07202	0.6
159.08084	0.9
160.08841	0.9
162.06787	0.7
163.07520	6.0
165.09106	7.9
166.09436	0.6
171.08058	4.8
172.08823	0.8
173.05948	0.7
174.06764	2.4
175.07545	2.5
176.08336	0.5
177.09109	15.5
179.07018	0.6
179.10677	1.1
185.09639	0.6
186.10345	0.9
187.07542	1.6
188.08344	4.2
189.09099	8.3
191.10666	2.3
193.08682	0.4
201.09076	1.6
202.09874	1.7
203.10667	15.4
217.10255	0.7
217.12221	7.3
262.09854	0.4
263.10760	0.4
277.12134	1.1
278.12964	1.2
309.14822	15.3
310.15259	0.6
326.15121	6.0
339.15701	0.8
341.17468	32.0
342.17755	1.5
356.62366	0.4
359.18509	0.8
372.85461	0.5
383.18378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.3
51.02370	0.3
53.03940	0.4
65.03932	0.6
66.04739	0.4
70.71157	0.6
70.82131	0.2
75.04478	0.4
77.03917	0.3
78.04700	0.3
78.20541	0.2
79.05502	1.4
80.06292	0.4
81.07056	0.9
83.25878	0.3
90.04702	0.5
91.05473	4.6
93.07031	0.7
94.04189	1.8
95.04958	1.1
101.24906	0.3
103.05460	1.8
103.18333	0.3
103.34739	0.3
105.07040	2.2
106.04164	0.4
107.04950	7.0
108.05739	2.0
109.06519	1.8
115.05479	0.7
117.07024	1.4
119.04939	0.7
119.06036	0.4
119.08594	0.3
121.06509	6.7
122.03639	5.6
123.08087	0.7
128.06236	1.2
129.06998	1.5
131.04933	2.3
132.05678	0.3
133.06487	14.8
135.04420	1.8
135.08070	2.1
136.05197	9.0
137.05969	87.4
138.06314	1.3
139.07597	0.5
143.04904	1.0
143.08562	2.1
144.05759	0.5
145.06462	2.3
146.07274	2.8
147.08055	5.4
149.05986	0.5
150.06746	4.1
150.79581	0.3
151.07533	100.0
152.07872	2.0
153.09047	0.5
155.06041	0.4
157.06497	3.1
158.07263	1.0
159.04434	0.6
159.08055	1.2
160.05190	0.5
160.08771	0.5
161.06058	0.6
161.37985	0.3
162.06750	0.8
163.07526	7.2
165.07695	0.5
165.09109	11.3
166.09328	0.3
171.08025	3.7
172.08765	1.2
173.05943	0.8
174.06754	3.3
175.07536	4.1
176.08289	0.8
177.09097	19.3
178.09517	0.3
179.07024	0.5
179.10657	0.6
185.09610	0.5
186.10419	1.1
187.07506	2.2
188.08293	3.5
189.09088	8.8
191.10661	1.8
193.08661	0.7
193.29903	0.3
201.09082	1.4
202.09920	1.8
203.10652	15.5
204.11003	0.5
205.12279	0.4
217.12227	8.9
245.09555	0.6
249.12779	0.4
259.11221	0.3
262.09903	0.4
263.10736	0.5
271.82330	0.3
277.12201	1.3
278.12979	1.2
294.12366	0.4
298.65189	0.3
306.53311	0.3
309.14819	20.3
310.15335	0.7
326.15097	6.5
339.15790	0.9
341.17450	31.7
342.17767	1.3
359.18344	0.7
383.18451	0.5
401.19299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05512	5.9
57.03437	2.6
59.18732	1.7
61.02935	1.3
67.05505	19.5
69.07069	4.7
70.04158	4.1
79.05492	22.5
81.03416	2.7
81.07059	13.5
83.04977	4.7
83.08629	2.9
85.02917	4.4
91.03956	1.3
91.05471	20.0
91.05978	1.6
93.07040	29.9
95.04984	7.4
95.08602	9.8
97.02886	1.5
97.06499	1.7
98.22771	2.3
105.04523	1.9
105.07026	13.1
107.08600	8.4
107.96845	1.3
109.06532	3.7
109.10184	2.6
110.08390	1.8
110.83934	1.4
117.07029	3.2
119.08582	8.0
121.06484	1.8
121.10123	2.6
123.08101	4.5
123.09202	1.8
127.03924	2.7
129.06998	5.7
131.08533	1.5
133.10159	4.7
135.08086	1.4
137.05978	1.5
138.10252	1.8
143.08594	3.3
145.10124	6.2
147.11678	15.5
149.13264	2.8
151.07562	14.7
161.09628	3.2
161.13257	4.3
171.11647	13.3
176.07094	4.6
176.10715	5.8
177.09145	3.0
189.12782	5.8
191.10670	13.3
195.13887	1.6
204.10326	2.4
205.10771	6.7
207.13820	9.9
210.15057	1.5
210.84335	1.4
281.17468	100.0
282.17810	3.6
285.07831	1.5
299.18555	3.1
342.14755	1.3
416.24380	16.9
460.27057	6.4
478.31720	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24664	0.5
53.72400	0.5
54.15112	0.4
55.05267	0.9
55.05515	13.8
57.03181	0.7
57.03439	6.9
57.07063	1.9
62.06090	1.2
64.33932	0.5
65.03953	1.1
67.05505	25.2
69.06710	1.0
69.07068	15.8
71.04978	0.6
71.08633	0.9
71.22419	0.6
79.05496	6.8
81.07053	26.0
83.08616	8.2
85.05293	0.5
85.06549	0.6
86.06061	0.6
91.05489	4.2
93.07038	6.3
95.04980	0.8
95.08604	19.6
95.15398	0.5
97.06527	1.5
97.10152	2.8
98.06053	4.8
98.98466	0.7
105.07026	2.5
107.08595	3.7
109.10152	6.0
111.08082	0.6
112.07677	0.6
119.08565	2.9
121.10145	2.7
123.11708	2.6
125.09657	0.7
133.10121	2.1
135.11638	1.4
137.13277	1.0
147.11705	1.6
161.13216	1.3
168.13933	0.6
175.14755	0.6
196.16922	0.6
218.19023	0.5
263.23749	1.3
291.91302	0.6
306.27890	50.4
307.28253	2.0
337.27353	100.0
338.27737	3.7
397.81198	0.5
479.29898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.01864	0.4
55.05511	4.7
57.07092	0.5
61.44387	0.4
62.06081	2.6
62.33078	0.3
67.05504	6.7
67.05858	0.4
68.59605	0.3
69.06710	0.5
69.07066	5.5
70.07948	0.4
70.08259	0.5
71.08646	0.4
75.90333	0.4
79.05477	1.7
81.07048	5.6
83.04990	0.5
83.08618	2.1
85.05282	1.8
85.59853	0.3
86.06068	0.8
91.05479	0.9
93.07050	1.8
95.08613	3.8
97.10133	0.8
98.06050	10.4
98.98441	0.7
105.07027	0.9
107.08600	1.0
108.16402	0.4
109.10136	1.3
112.07629	1.1
119.08585	0.7
121.10142	0.4
124.07552	0.4
133.10106	0.5
154.12245	0.8
165.73978	0.3
168.13795	0.5
192.75812	0.4
196.16908	0.7
208.16922	0.6
222.18571	0.4
248.96368	0.4
306.27890	100.0
307.28198	2.8
324.29007	1.0
337.27255	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05511	9.0
55.99435	0.8
57.03437	3.4
57.07072	2.2
60.72353	0.8
62.06090	31.5
67.05157	1.8
67.05505	25.3
67.05865	1.6
69.07068	12.0
69.28819	5.5
71.04979	1.1
71.08673	1.0
74.46939	0.9
79.05482	7.5
80.58411	0.9
81.07055	24.4
83.04991	1.6
83.08630	4.9
85.07979	0.8
91.05490	3.4
93.07046	8.0
95.08604	20.0
97.10149	1.9
98.06055	3.9
98.22767	1.7
98.98466	8.9
105.07047	2.3
107.08596	4.0
109.10157	7.1
111.11734	1.1
119.08602	2.3
121.10147	3.3
123.11696	3.1
124.01595	2.3
133.10164	1.6
135.11707	2.2
142.02689	1.3
147.11641	1.9
155.00996	6.8
161.13304	1.5
165.16499	1.0
173.02132	2.9
175.14854	0.8
198.05286	2.3
216.06294	3.5
240.35056	1.0
245.22566	2.1
263.23669	7.5
306.27911	40.0
307.28717	1.0
337.27347	100.0
338.27679	3.3
393.50766	1.0
417.23804	1.3
423.44250	1.0
458.21439	1.0
460.28195	6.5
478.29239	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.07064	0.6
62.82343	0.4
63.18828	0.4
67.05502	1.9
67.07748	0.4
68.05028	0.6
69.07070	1.4
69.70257	1.5
70.06590	100.0
71.06911	0.5
75.32403	0.4
79.05503	0.9
81.07052	1.7
83.08630	0.8
93.07033	1.6
95.08620	1.3
97.10179	0.5
107.08574	0.8
109.10183	0.6
112.73997	0.4
114.96792	0.4
121.10156	1.5
130.08636	64.4
131.09062	0.5
135.11670	0.7
140.13606	0.4
149.13229	0.5
203.09720	0.4
418.40344	0.9
478.42560	23.2
479.42847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52821	1.7
59.01151	1.8
69.60288	4.0
69.60684	3.9
85.56609	1.8
94.93014	22.1
98.23465	3.5
104.10754	2.0
110.59270	1.7
112.89600	5.1
114.89318	4.4
136.94016	93.3
148.94012	18.9
150.95601	2.4
155.37001	1.8
156.04222	13.9
166.95085	32.0
176.11557	1.7
178.95074	7.7
194.94530	2.4
196.95305	8.7
202.89070	4.6
208.97406	2.3
214.89450	3.3
214.96271	3.5
222.02203	1.9
226.96196	5.0
232.92320	2.0
238.97090	4.4
248.89684	4.0
256.90466	4.3
256.98221	20.4
263.95282	2.9
280.94962	3.3
298.99045	9.3
306.90027	2.0
332.46780	1.8
343.89310	2.1
344.85751	3.9
379.45966	1.7
381.07916	100.0
382.08252	3.3
393.88748	2.2
404.46225	1.8
419.03464	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.29236	0.2
55.01873	0.5
57.03429	0.7
57.87462	0.2
61.02927	4.5
65.03936	0.3
67.05503	0.4
68.99800	0.3
69.03426	2.8
70.06573	0.6
71.04984	0.4
72.08140	0.5
73.02922	1.2
79.05487	0.3
81.03397	1.3
81.07066	0.4
85.02406	0.5
85.02904	7.5
85.03416	0.4
86.09694	0.7
87.04460	0.3
91.03938	2.1
92.02614	0.8
93.03405	0.9
93.07003	0.4
97.02891	3.8
99.04442	0.4
105.07018	0.3
107.08558	0.3
109.02864	0.8
111.00787	0.3
115.03902	0.3
120.08096	0.6
121.02873	0.8
121.10158	0.3
126.03119	0.3
127.03934	1.4
130.70584	0.2
136.07613	0.3
137.05963	0.5
139.03897	0.9
145.04929	1.4
151.03903	0.8
153.01823	6.6
165.01833	1.0
177.05415	0.3
183.02948	0.3
201.05472	0.6
203.03517	0.4
217.04973	0.8
218.05838	0.4
228.04167	1.1
229.04941	2.9
245.04526	1.1
246.05266	1.7
256.03796	0.3
257.04474	2.0
260.03226	0.4
273.03970	1.3
274.04694	3.8
285.03964	3.4
286.04715	0.3
298.27570	0.4
299.05502	0.4
301.03592	0.5
302.04184	12.6
303.04752	0.4
316.28381	0.5
317.06537	100.0
318.06891	3.6
329.06598	0.9
359.07678	0.6
383.07333	0.4
461.11218	0.3
478.33749	1.4
479.11182	0.4
479.19107	0.4
479.26309	0.2
479.34036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03948	0.6
55.01867	0.4
56.91333	0.2
57.03434	0.9
61.02930	1.5
65.03934	0.3
67.39857	0.2
69.03428	3.3
69.85526	0.7
71.47357	0.2
73.02917	0.7
81.03418	1.6
85.02901	9.6
87.04479	0.3
87.34219	0.2
91.03944	0.7
92.02623	1.0
93.03392	1.4
97.02889	3.9
99.04454	0.7
109.02862	1.2
121.02827	0.7
126.03123	0.3
127.03930	1.8
139.03918	0.5
145.04933	1.7
151.03906	0.7
153.01820	7.2
163.71352	0.2
165.01796	0.7
173.05896	0.3
180.17216	0.3
197.47543	0.2
200.04677	0.3
201.05466	0.7
203.03461	0.5
215.35388	0.2
217.04980	0.6
218.05710	0.5
219.02914	0.5
228.04140	1.5
229.04951	3.3
230.05501	0.3
245.04413	1.1
246.05228	1.5
257.04428	2.7
260.03119	0.4
261.07443	0.3
273.03900	1.6
274.04706	3.8
284.03299	0.3
285.03897	4.0
302.04190	11.9
303.04678	0.3
317.06534	100.0
318.06870	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03432	0.5
61.02929	6.6
65.03955	0.2
67.05509	0.1
68.99799	0.2
69.03429	1.2
69.32545	0.5
69.32947	0.2
70.06585	0.5
71.04991	0.2
72.08139	0.2
73.02920	1.9
79.05499	0.2
81.03413	0.5
81.07057	0.2
82.05291	0.1
85.02908	6.1
86.09731	0.2
91.03963	3.1
92.02621	0.7
93.03417	1.0
93.07056	0.2
95.04977	0.2
95.08614	0.2
97.02895	3.3
98.06014	0.1
98.23417	0.3
99.04450	0.4
105.07023	0.1
107.08598	0.3
109.02904	0.4
109.06541	0.1
110.07156	1.3
111.00781	0.2
115.03937	0.3
120.08067	0.2
121.02875	0.8
126.03131	0.3
127.03903	1.0
135.11592	0.1
137.06001	0.1
139.03926	0.8
145.04936	0.9
147.05511	0.2
150.03003	0.2
151.03923	0.6
151.04997	0.2
153.01830	6.9
162.10275	0.2
165.01767	0.7
166.06227	0.1
177.05437	0.3
183.02902	0.2
189.95044	0.1
199.44598	0.1
200.04681	0.2
201.05499	0.6
203.03381	0.4
217.04939	0.8
218.05827	0.5
219.02921	0.2
222.92023	0.1
228.04141	1.1
229.04993	2.8
231.02785	0.3
235.11919	1.0
245.04486	1.1
246.05211	1.7
254.17046	0.1
256.03717	0.3
257.04431	2.4
260.03189	0.2
261.07733	0.3
273.03946	1.8
274.04733	4.1
284.03229	0.4
285.03943	3.8
286.04599	0.2
288.06497	0.2
301.03561	0.2
302.04208	11.8
304.20190	0.3
315.17081	0.3
317.06552	100.0
318.06894	3.1
329.06476	0.5
359.07587	0.4
366.31833	0.1
383.07700	0.3
411.23700	0.4
413.09213	0.1
429.24948	0.7
443.09717	0.3
447.26038	1.7
479.11743	0.2
479.18747	0.8
479.28989	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30566	0.1
53.03934	0.3
53.72773	0.1
57.03419	0.5
61.02924	6.5
65.03909	0.2
69.03421	1.1
69.11270	0.3
69.11683	0.6
70.35556	0.2
73.02918	1.4
80.31276	0.1
80.48252	0.1
81.03401	0.5
85.02900	6.2
85.03416	0.3
91.03951	3.9
92.02604	0.9
93.03407	1.1
97.02886	3.5
97.67619	0.1
98.23444	0.3
99.04431	0.2
99.82680	0.1
100.02170	0.1
105.95117	0.1
109.02841	0.2
115.03915	0.4
121.02866	0.9
122.03703	0.1
126.03175	0.4
127.03916	0.8
135.04408	0.2
137.02335	0.4
139.03891	1.0
145.04980	0.7
151.03902	0.7
153.01819	7.6
163.03912	0.2
164.73711	0.2
165.01836	0.7
166.02617	0.2
183.02910	0.3
187.03789	0.2
194.50835	0.2
200.04684	0.2
201.05351	0.8
203.03395	0.5
215.07034	0.2
217.04980	0.9
218.05754	0.5
219.02829	0.2
228.04114	1.4
229.04944	3.0
231.02904	0.6
239.03363	0.2
245.04474	1.1
246.05234	1.4
256.03690	0.2
257.04431	2.3
260.03238	0.3
261.07629	0.2
271.06085	0.3
273.03931	1.7
274.04697	4.1
284.03140	0.4
285.03922	4.1
286.04248	0.2
288.06125	0.2
301.03259	0.2
302.04184	12.6
303.04288	0.2
317.06525	100.0
318.06870	3.5
329.06378	0.2
421.60464	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
67.05486	0.9
70.61600	0.8
79.05481	0.9
81.03411	0.7
81.07067	1.2
83.08624	0.6
85.02909	2.1
91.05500	1.0
93.07044	1.6
95.04999	0.5
95.08618	1.6
97.02889	0.7
105.07038	1.2
107.08607	1.5
109.10180	0.6
111.60104	0.5
117.06965	0.6
119.08569	0.9
121.10104	1.3
122.49989	0.5
131.08595	0.5
133.10135	0.7
135.08075	0.7
135.11755	1.1
137.09642	0.6
145.10129	1.3
153.01860	1.0
157.10114	0.8
159.11676	0.7
161.09526	0.5
163.11209	1.7
173.09427	0.6
175.07455	0.4
219.10216	0.6
227.12775	2.2
231.13583	1.2
265.15256	3.7
265.17725	0.6
271.04276	1.3
274.04599	0.6
283.15414	2.9
289.05423	1.1
302.04251	0.8
317.06537	8.8
318.06741	0.9
375.17700	0.9
393.18796	4.9
435.19858	25.9
436.20105	1.3
461.16821	0.6
479.18869	100.0
480.19379	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17902	0.5
67.05497	0.6
69.03407	1.0
71.04990	0.7
71.06738	0.9
78.61554	0.5
79.05498	0.8
81.03411	0.6
81.07057	1.0
85.02898	1.4
91.05479	0.7
93.07053	1.3
95.08607	0.8
97.02863	0.5
104.04160	0.4
105.07054	0.7
107.08590	1.1
109.10155	1.2
119.08566	1.7
121.10152	1.5
123.11781	0.4
127.03959	0.7
133.10114	0.8
135.11676	0.7
137.05942	0.6
176.15150	0.5
177.16309	0.6
195.17433	1.2
197.11681	1.3
213.18510	2.8
231.13525	3.8
243.04933	0.6
245.06361	1.1
271.04257	1.7
289.05136	2.8
291.14606	0.9
299.59079	0.5
307.45651	0.5
317.06369	4.4
333.15396	0.5
375.17624	0.8
393.18677	6.5
393.26245	0.5
417.18729	1.3
435.19818	21.2
436.20367	0.7
479.18854	100.0
480.18985	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01867	7.9
55.05511	15.5
57.03429	5.7
57.07086	1.8
66.56516	1.3
67.05161	1.7
67.05500	20.0
69.03428	2.0
69.07069	14.9
71.08624	16.0
79.05486	10.9
81.03410	4.3
81.07042	16.4
83.04980	3.9
83.08624	6.3
84.91193	7.8
85.06536	1.7
85.10221	1.5
91.05480	10.8
93.07033	13.5
95.04961	6.0
95.08602	10.6
97.06545	3.3
97.10153	6.8
99.08091	13.8
105.07008	7.4
107.04958	5.1
107.08595	8.8
109.06518	3.3
109.10136	8.8
111.04405	2.3
111.08082	2.4
113.00008	100.0
117.07011	3.5
119.08596	3.3
121.06496	4.9
121.10146	4.8
123.08074	4.0
123.11712	2.2
125.09630	10.1
131.08546	4.1
133.06583	1.4
133.10114	8.9
135.04379	1.3
135.08043	2.8
135.11696	2.5
139.11147	1.5
140.37984	1.3
145.10095	2.5
147.11673	1.4
149.09563	1.7
149.13263	2.7
151.07544	9.6
151.11148	7.4
152.07970	1.7
153.09126	1.9
159.11739	2.0
161.09628	2.2
163.11238	1.6
165.09019	1.8
165.12770	2.2
167.10622	1.3
169.02599	29.3
169.03949	1.9
177.12706	5.2
179.10693	1.5
181.08575	3.7
187.03653	8.8
189.11201	3.4
191.14363	1.8
195.13777	3.2
211.38129	1.2
227.12837	3.1
239.87444	1.2
243.13834	1.2
247.20535	3.5
251.17288	1.2
253.14297	6.4
257.18970	2.8
265.21756	1.4
275.20050	14.5
293.21078	88.8
294.21408	3.4
319.12964	1.8
349.23730	8.3
367.24762	48.0
368.25070	2.7
385.19971	3.5
393.09738	4.7
429.19873	1.7
435.14194	3.9
443.21909	26.9
453.15591	2.0
461.22986	17.9
479.17068	4.1
479.30148	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25560	1.2
54.15452	1.3
55.05486	1.9
61.58744	1.3
67.05502	2.1
69.07072	2.0
70.06580	1.8
71.46573	1.7
81.07053	2.3
83.08624	1.4
86.09690	2.7
88.07618	3.3
93.07030	2.5
99.42107	1.3
102.09155	1.9
104.10738	3.5
107.08636	2.1
109.10145	1.4
121.10090	1.4
124.99944	1.5
137.09415	1.5
151.07498	5.0
153.01579	14.6
160.05156	1.7
161.05977	3.8
163.03966	3.3
166.09583	2.4
178.06146	1.3
181.08609	2.2
184.07402	3.7
195.09924	100.0
196.10468	1.5
206.12784	5.1
207.06487	2.3
221.08089	6.8
223.13016	2.5
235.13051	70.5
236.13414	3.2
251.12511	4.2
256.26401	2.6
261.14664	1.6
263.12711	3.2
265.24899	1.3
277.14294	2.5
307.15112	2.2
349.23517	1.5
385.20197	1.5
461.25571	1.8
479.26068	8.4
479.30026	6.3
480.33417	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81976	1.1
55.07653	1.2
55.89485	1.0
66.07011	1.2
67.05526	1.9
69.82709	2.3
73.40531	1.0
79.05476	1.4
81.07040	1.2
93.07059	1.8
104.10724	1.6
137.09387	2.0
151.07597	5.5
152.07942	1.8
153.01604	10.9
159.11847	1.1
163.03929	1.5
181.08620	1.9
195.09932	100.0
196.10358	2.4
206.12834	4.7
221.11525	3.0
223.13058	1.7
235.13054	66.8
236.13312	1.4
251.12569	3.2
297.13129	1.2
305.26828	1.6
306.26373	1.2
307.15363	2.0
338.26660	1.4
435.27213	9.8
479.25546	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41124	1.7
67.05484	2.2
69.07080	3.0
71.46693	2.2
77.89862	1.8
79.05476	3.8
81.07056	4.5
86.09679	2.3
91.00320	1.6
93.07025	3.6
95.08576	3.0
97.06535	7.7
99.67670	1.8
105.07021	3.0
144.75333	1.8
145.10074	1.7
151.07567	7.2
153.01550	2.9
170.69040	1.8
195.09915	30.9
229.08490	1.8
235.13013	18.2
247.07645	2.3
249.09038	3.0
257.08102	2.4
263.07077	7.8
275.07016	2.5
278.09479	2.5
279.06589	2.5
289.08621	2.2
305.08191	2.6
306.08807	4.0
307.06061	2.4
307.09451	2.7
309.11276	4.8
333.07645	2.6
347.09247	4.6
353.10260	3.3
360.13663	3.1
365.10196	6.0
375.12509	2.9
376.13025	2.5
378.07281	5.6
383.11218	4.6
393.09641	25.4
435.14349	35.6
436.14465	3.1
453.15405	13.8
461.15952	14.9
461.29099	2.2
479.17361	36.1
479.27737	100.0
480.17548	3.5
480.27979	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68547	2.1
55.05498	4.8
57.07068	2.2
57.55029	1.9
58.06581	2.0
60.08155	4.1
67.05493	6.2
69.07064	4.0
70.53849	1.9
78.76699	2.4
79.05476	3.4
81.07034	6.3
83.08598	2.4
86.09713	13.4
87.10047	2.1
91.71037	1.9
93.07014	3.7
94.50864	2.1
95.08598	7.6
96.08920	2.6
98.06010	2.1
98.98492	2.1
104.10740	25.9
105.11063	3.9
107.08527	1.9
113.00022	16.1
119.08530	2.4
122.62506	2.0
124.99981	6.8
144.10219	2.9
151.07536	3.6
169.02611	8.7
170.02951	2.6
181.08472	2.0
184.07368	19.8
185.07779	3.6
187.03508	1.8
207.02287	2.3
297.16666	3.9
308.29474	46.9
317.06647	2.0
336.26126	10.0
336.35547	2.3
393.22260	6.7
463.99805	2.3
479.27826	100.0
479.36560	5.7
480.28314	4.5
480.36407	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30047	2.0
55.05509	2.5
59.33913	2.5
71.47217	2.7
79.05480	5.1
81.07069	8.4
83.08611	2.8
84.19971	2.4
91.05492	4.2
93.07049	3.4
95.08605	3.6
97.06542	3.5
104.96159	2.6
105.07015	3.9
105.58714	2.3
107.04989	4.2
119.08588	2.4
135.04405	3.3
136.42430	2.3
137.05983	3.9
151.07567	18.7
153.05504	4.8
155.77838	2.3
173.05978	3.0
181.08592	6.6
183.06419	2.6
191.07011	3.4
195.09927	6.0
207.06473	3.7
221.08081	7.8
257.08212	3.1
257.31403	2.5
263.07327	2.4
317.13690	2.6
325.10306	2.7
331.15543	3.9
385.20227	4.0
393.09814	6.6
403.21600	3.4
435.14368	10.8
444.30807	2.8
453.15524	6.3
461.28406	3.1
462.55533	2.9
479.17731	13.1
479.27612	100.0
499.64374	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09417	0.5
60.91748	0.5
76.44593	0.5
76.62562	0.5
82.62078	0.6
89.32108	0.5
105.07021	0.6
114.02682	0.5
151.07567	1.7
182.07584	0.5
233.91273	0.6
269.34512	0.6
280.68387	0.5
387.24869	0.5
393.22516	9.7
447.14536	0.5
461.28726	28.0
462.29214	1.3
479.29800	100.0
480.30063	5.2
494.70911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07867	0.6
50.18808	0.6
53.03960	0.8
55.05500	2.0
67.05500	5.6
69.03424	1.3
69.07057	2.0
76.96308	0.7
77.03947	0.7
79.05487	3.2
81.07052	7.2
83.05013	1.0
83.08633	1.0
85.02900	1.1
91.05486	2.1
93.07065	3.4
95.04982	1.1
95.08595	11.0
97.06515	0.8
97.10152	1.0
101.69706	0.7
105.07031	2.7
107.08585	2.4
108.05711	0.8
109.10124	3.8
111.04426	2.7
117.07007	1.1
119.08556	1.3
121.06529	2.0
121.10134	1.3
123.08068	11.9
123.11681	2.3
127.03899	0.8
131.08604	1.9
133.10097	1.4
135.08009	4.4
135.11678	0.9
145.10138	2.3
147.08104	0.8
149.09587	2.5
149.13205	0.9
151.07535	100.0
151.14766	0.8
152.07881	4.1
159.08017	2.0
159.11626	2.1
162.06746	1.1
163.11124	3.6
165.09137	3.1
171.07542	0.8
173.09547	3.6
176.08305	4.3
177.07547	0.9
177.09094	17.6
177.12529	0.8
178.09448	0.8
187.11078	0.8
189.09070	1.0
190.09912	1.0
191.10654	69.5
192.11053	3.5
193.12234	0.7
205.12236	33.4
206.12590	0.8
210.38182	0.8
219.13797	2.0
233.05954	1.0
251.23619	1.5
261.05347	1.4
317.06787	1.1
347.05432	3.0
415.31998	2.0
417.24829	1.9
461.27707	1.0
461.32626	5.1
462.32968	1.1
479.19025	1.5
479.26291	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29569	0.8
55.05510	0.8
56.72215	0.7
67.05486	1.1
69.03413	0.8
69.07062	0.9
77.63292	0.7
80.86652	0.6
81.03416	1.5
81.07057	2.1
82.00877	0.7
85.02911	1.8
86.03122	0.7
90.43860	0.6
91.05466	1.2
93.07061	1.2
93.97057	0.7
97.02852	1.3
98.22707	2.0
102.12319	0.7
109.02844	0.8
109.10159	1.2
124.07633	0.8
127.03915	2.0
131.08565	0.9
151.07509	2.2
172.05211	1.7
187.07552	0.8
199.07658	0.7
206.07306	0.8
215.07074	1.1
220.08832	1.1
229.08679	1.1
230.09346	6.0
235.07532	3.2
247.07529	2.0
248.08377	2.5
249.05496	0.9
249.09079	2.6
249.11378	2.9
251.06990	4.9
253.08522	1.4
257.07965	1.0
261.05481	0.9
261.08957	0.8
262.06277	2.0
263.07053	4.3
264.07767	1.7
265.08664	1.7
266.05838	1.3
267.10056	0.9
275.07056	5.4
276.07657	1.8
277.05716	1.0
277.08496	4.5
278.06003	0.7
278.09396	3.1
279.06531	7.8
279.09866	1.3
280.07205	1.6
281.08267	1.1
281.11542	1.1
283.09729	0.8
289.05078	1.2
289.08777	1.3
290.05869	1.6
290.09344	1.2
291.06448	3.6
292.07306	1.0
293.08124	7.7
294.08856	3.5
295.06192	1.3
295.09549	1.7
304.07285	1.8
305.08066	12.6
306.05441	0.9
306.08795	13.3
307.06039	4.2
307.09625	6.3
308.06772	2.1
308.10452	9.7
309.07538	1.7
309.11133	17.6
310.11722	1.4
319.06265	1.3
319.09723	4.1
321.07593	5.4
321.11212	1.8
321.93399	0.8
322.08417	3.4
323.09250	2.4
324.09848	7.2
333.07593	4.0
334.08249	14.1
335.09195	1.9
337.10672	22.2
338.11255	4.2
339.08533	4.2
339.12378	6.0
347.09061	2.2
349.07330	0.9
350.07822	4.1
351.08496	1.2
352.09558	2.6
365.10184	12.3
367.08133	1.7
382.10373	5.8
383.11240	48.4
384.11627	2.6
412.98978	0.8
463.06903	100.0
464.07211	4.1
479.26212	1.0
480.19287	0.9
480.26981	1.2
480.33078	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
52.62850	1.0
53.03944	1.3
55.01861	3.3
58.81694	1.0
59.87297	0.9
64.83885	0.9
65.03935	3.0
67.05504	2.1
69.58182	4.1
70.06586	1.3
70.47611	0.9
77.03958	1.3
79.05495	6.8
81.07060	2.2
85.02892	1.9
85.63183	1.0
89.03934	1.0
91.05479	51.6
93.07048	2.9
94.04200	2.7
95.04952	4.4
97.02911	1.9
98.23464	2.0
102.04659	1.1
103.05473	6.7
105.03402	11.5
105.04486	1.2
105.07024	10.7
107.04944	6.2
109.06528	13.6
111.08209	0.9
115.05474	2.0
117.07072	1.8
118.04144	1.1
119.04942	77.8
119.08608	1.7
120.05321	1.4
120.08164	1.0
121.06497	5.4
122.03652	3.8
123.08059	5.0
129.06961	1.8
131.04927	6.1
133.02773	1.0
133.06476	11.4
135.08018	2.8
136.05220	1.4
137.05975	100.0
138.06265	1.8
143.06116	1.0
143.49869	1.1
145.06490	1.8
147.04405	29.4
147.08061	2.8
149.05965	7.1
150.06769	2.1
151.07549	41.0
157.06444	1.5
159.08031	3.6
160.05190	1.5
161.05986	29.4
162.06749	13.5
163.07521	3.9
165.05447	2.2
173.06018	1.3
175.07542	22.0
177.09065	1.2
178.00746	1.6
179.07027	44.4
180.07443	1.2
187.07509	13.3
190.06223	1.3
191.08612	1.9
193.03204	8.5
193.08603	9.3
203.08531	1.3
205.08604	16.4
207.08139	1.3
217.08656	2.1
219.08116	3.9
231.08046	1.9
235.09592	5.4
247.07591	2.4
248.08327	1.0
249.09029	1.1
251.10728	2.1
255.75995	1.2
259.07455	1.5
263.10773	1.3
279.10260	5.2
291.10175	4.3
297.11127	1.0
309.11212	18.5
311.12799	7.7
323.12634	2.1
329.13852	3.9
341.13806	9.0
480.18515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
57.03438	1.6
57.81174	1.1
62.73909	1.0
65.03941	3.2
65.83501	1.1
67.05507	1.8
67.79810	1.0
69.03422	2.9
69.51127	3.1
70.06611	1.1
76.72037	1.0
77.03945	1.0
79.05489	7.2
81.07043	2.9
85.02901	3.2
86.09706	1.5
87.04470	1.6
91.05474	52.8
93.07046	4.3
94.04176	2.5
95.04984	4.0
95.08544	1.2
97.02878	2.7
98.22657	1.9
103.05482	8.3
105.03378	11.1
105.04512	2.1
105.07017	11.3
107.04940	6.3
108.05725	1.5
109.06520	10.8
110.07122	1.3
112.01576	1.2
115.03922	3.0
115.05483	2.7
117.07018	2.7
118.04121	2.2
119.04939	77.5
119.08584	2.1
121.05737	1.0
121.06483	7.0
122.03667	3.8
123.08061	4.7
123.11627	1.2
129.06981	2.0
130.04143	1.9
131.04939	6.6
131.06055	1.4
133.02875	1.4
133.04982	1.8
133.06487	10.0
133.10117	2.7
135.04405	1.7
135.08046	2.5
136.05196	1.3
137.02365	3.3
137.05971	100.0
138.06300	1.5
145.06439	2.6
147.04399	30.2
147.08064	2.7
149.05962	10.3
150.06725	2.0
151.07533	43.4
151.08748	2.2
151.11200	2.3
159.08081	3.1
161.05978	33.4
162.06754	14.1
163.07452	2.5
165.05489	3.2
169.05025	2.5
169.12236	3.8
175.07541	23.3
177.05634	1.3
178.00896	1.8
179.07021	44.1
180.07407	1.5
187.07527	12.5
191.08575	1.6
193.03198	11.0
193.08647	7.1
197.11710	1.3
205.08577	19.0
217.08708	2.8
219.08070	4.4
231.08093	2.8
235.09529	5.1
236.08279	1.3
244.09418	1.7
245.09769	1.3
247.07567	2.5
251.10646	2.7
263.10641	1.5
279.10104	5.6
282.08105	1.6
291.10199	3.9
296.10501	2.2
297.11475	1.3
309.11172	15.9
311.12756	7.6
323.12878	1.3
329.13828	4.9
341.13821	8.7
350.57578	1.1
359.14807	1.5
380.16492	2.3
383.14853	1.9
397.09119	1.1
479.32114	11.6
480.26385	1.8
480.32458	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01875	4.3
57.03432	5.5
61.02931	8.5
64.80815	0.8
66.34686	0.9
69.03429	17.4
70.47514	1.6
73.02925	3.7
77.49682	0.7
81.03414	7.0
83.01376	1.1
85.02903	100.0
86.03225	1.0
87.04475	3.5
87.98048	0.8
91.03952	5.1
91.05479	2.2
93.07044	2.4
95.04983	1.1
97.02890	27.3
99.04483	4.3
103.03952	1.5
103.05449	1.7
109.02876	7.5
115.03965	1.5
121.06504	68.4
127.03912	23.5
131.08594	1.8
141.07063	1.4
145.04961	48.6
145.06425	2.8
146.05354	0.8
150.45772	0.7
151.07564	1.2
155.08604	0.8
157.06546	1.7
159.08040	5.1
163.06026	20.3
163.07266	0.8
169.06384	0.9
171.08057	0.9
175.07529	2.7
179.07057	3.6
179.47168	0.8
183.08173	1.1
185.05951	2.0
187.07538	25.1
187.55241	0.8
201.09157	2.0
205.08607	21.5
211.07564	0.9
217.08559	2.2
229.08598	11.9
235.09651	2.0
239.16791	0.9
247.09657	12.3
265.10690	12.1
289.09143	1.1
301.12891	3.1
309.92160	1.0
325.11209	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.05513	3.3
57.03438	1.7
61.02916	1.6
63.80330	0.5
67.05495	3.9
69.03416	1.1
69.07059	2.5
71.04986	1.0
73.02905	1.0
77.03899	0.6
79.05491	8.9
81.03407	1.0
81.07050	6.3
83.04990	0.9
83.08614	3.4
85.02894	2.5
89.60426	0.4
91.03960	0.8
91.05478	1.9
93.07042	12.9
95.04982	2.6
95.08603	14.6
97.02885	2.9
97.06499	1.0
99.04456	2.6
105.07021	2.4
105.53340	0.5
107.04927	2.7
107.08593	11.7
109.06510	1.3
109.10152	2.1
111.04435	0.7
111.16266	0.5
117.07002	2.7
119.08593	4.7
121.06501	2.6
121.10144	6.8
125.05984	1.4
127.07629	0.5
133.10097	1.2
135.08025	1.0
135.11690	23.7
136.12022	0.7
139.07550	1.3
145.10117	13.6
153.12834	0.5
163.11179	33.3
164.11624	0.9
173.09641	0.8
181.12215	7.4
209.11734	1.4
227.12769	48.3
228.13075	1.0
283.15387	100.0
284.15707	3.8
301.16498	2.9
327.41641	0.5
334.26266	0.5
394.18961	0.7
436.20300	1.5
480.19153	6.0
481.19183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00595	3.1
56.96568	10.0
63.74586	2.5
69.03426	5.4
69.07082	4.7
70.06583	3.6
71.18208	2.5
71.45049	2.2
72.86105	2.8
79.05518	4.5
81.03419	3.5
81.07069	7.8
84.97997	3.2
85.02943	3.3
91.05476	4.4
93.07025	3.4
95.08624	7.4
97.02880	5.1
98.97569	3.6
100.11263	5.6
103.05476	5.6
105.07036	5.0
107.04987	7.8
107.08578	3.6
109.06555	3.2
109.10162	4.6
121.06525	5.2
123.04446	6.2
127.03947	8.3
131.04955	9.6
133.90024	2.8
135.11681	5.0
136.05225	3.8
137.05981	7.4
141.10027	3.2
146.07301	5.8
151.07552	100.0
151.08739	5.7
153.05476	3.6
158.07448	2.8
163.07529	22.0
165.09149	10.5
167.07048	80.5
177.09113	34.4
181.08662	6.4
183.89708	3.2
187.07521	3.8
191.10696	4.8
196.13362	6.3
201.09157	4.5
210.14911	5.5
217.12279	6.9
219.10231	3.2
225.11609	2.8
233.11734	3.4
237.18497	6.1
240.55656	2.9
249.11708	2.9
255.19473	4.8
267.12714	3.4
283.18939	4.6
307.13611	5.0
327.00482	3.1
339.15948	23.4
356.16174	4.7
371.18497	42.2
389.19537	28.5
411.82208	2.9
421.18988	5.4
439.19989	13.0
480.26041	4.6
481.20877	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
53.03941	1.6
55.05516	13.7
57.03439	10.4
57.07065	2.7
67.05508	36.8
69.07076	21.3
71.04975	1.4
71.08642	3.7
79.05491	12.0
81.07059	35.6
82.07394	1.2
83.04978	1.7
83.08632	6.7
85.06577	2.5
85.10159	1.5
89.06028	1.6
91.05489	6.5
93.07058	11.5
95.04964	2.1
95.08609	23.2
97.06546	2.5
97.10138	5.4
98.23431	2.2
98.98495	1.4
104.39749	1.2
105.07033	5.4
107.04935	1.4
107.08601	6.5
109.10159	13.3
111.08022	1.5
113.00018	75.5
118.96899	1.3
119.08574	6.2
121.10154	5.1
123.11732	4.6
124.27753	1.0
133.10139	4.0
135.11700	4.5
137.13324	1.4
141.42099	1.4
145.10121	1.8
147.11673	2.7
149.13225	2.4
151.07565	9.9
161.13220	1.4
169.02620	78.5
181.08601	6.8
187.03751	8.4
189.16293	1.2
245.22693	3.5
263.23709	7.6
291.19537	3.3
296.05530	1.2
303.01608	1.3
308.29401	7.5
337.27362	100.0
338.27725	4.2
385.20245	3.2
403.21091	1.4
431.25919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1835
Annotation	Maculansin A
Peak:m/z	Relative Intensity
57.22957	0.2
58.51147	0.2
59.03264	0.2
69.71488	0.6
118.46561	0.2
118.67197	0.2
133.06538	0.3
134.01642	0.2
135.04411	2.8
151.07533	2.6
152.07858	0.3
165.09097	0.3
165.86324	0.2
177.09096	0.4
197.39063	0.2
203.10741	0.3
207.06622	0.2
215.07841	0.2
217.12175	0.2
234.39426	0.2
326.33475	0.2
339.16025	0.2
379.15085	0.6
421.16254	2.4
481.18304	100.0
482.18646	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23698	1.8
53.08572	2.1
55.01871	2.2
57.03439	2.6
61.01905	2.4
67.05500	6.4
69.03438	5.1
70.06593	8.7
79.05084	2.0
79.05499	9.2
81.03421	17.5
81.07050	8.8
83.08599	3.3
83.33730	1.9
85.02906	3.6
86.09698	5.0
87.04485	2.4
91.05000	3.8
91.05487	29.8
93.07049	8.0
94.21478	2.2
95.04960	10.5
103.03957	3.5
103.05480	18.6
105.07040	19.5
107.04969	37.4
107.08618	4.9
109.06510	6.7
110.07176	5.2
110.48359	1.9
115.03955	3.5
115.05446	5.0
117.07025	3.5
119.04942	25.8
119.08595	4.1
121.06508	9.3
121.10159	7.2
122.03653	6.1
122.07314	3.0
123.08110	2.7
129.07013	11.6
130.04219	2.2
131.04944	21.3
131.08578	6.0
133.04955	2.5
133.06508	10.0
133.10139	9.8
135.08052	12.6
137.05988	100.0
138.06303	3.0
146.07257	4.3
147.04416	22.7
147.08118	2.9
147.11684	6.6
148.05147	3.9
149.06012	11.7
149.09645	6.0
151.07555	53.3
153.09117	6.5
157.06511	4.1
161.05991	91.3
161.09607	21.4
162.06772	14.9
163.07558	56.8
167.08519	4.8
171.10182	3.7
174.06805	4.5
175.07590	11.4
175.11191	9.7
177.09192	2.9
179.07072	7.5
181.08598	16.8
187.68216	2.1
189.09135	58.8
191.07254	2.5
193.03169	14.6
193.08665	2.5
193.12254	17.7
195.08064	6.1
207.10173	88.3
211.40195	2.1
219.10124	10.7
221.05989	4.1
221.09583	4.4
223.07545	5.0
224.08426	3.1
225.09082	3.8
227.10638	10.8
229.13033	2.3
238.03842	2.2
247.19139	2.4
253.08665	7.6
253.12285	5.7
255.10080	10.5
265.08688	3.3
267.10281	3.3
267.15909	34.3
281.11670	3.9
285.11328	10.8
285.17004	22.0
287.12799	37.7
297.11264	5.3
299.12564	6.9
299.35440	2.4
311.12839	20.4
313.14407	34.8
325.14603	2.7
331.15411	49.4
343.15289	7.5
465.86609	2.6
483.14523	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37231	1.5
55.01865	3.1
55.05511	1.9
57.03419	1.9
65.03956	2.3
67.05495	4.4
69.03420	3.3
69.07097	1.8
70.06587	3.1
71.04959	1.8
79.05479	8.3
81.03415	5.5
81.07067	5.3
84.08097	1.6
85.02906	2.1
91.05475	30.0
93.07044	5.5
94.04154	2.1
95.04949	6.0
97.06564	2.2
103.05471	17.8
105.07047	13.3
107.04949	41.0
107.08558	2.1
109.06517	3.9
110.07156	4.6
115.05419	4.5
116.40697	1.7
117.07040	3.5
119.04939	27.0
121.06464	8.3
121.10204	2.0
122.03629	5.7
122.04679	1.5
122.07327	2.4
129.07002	8.7
130.04155	2.1
131.04916	20.5
131.08554	4.0
133.02820	2.9
133.06491	8.6
133.10095	4.1
135.08047	12.1
137.05968	100.0
138.06284	2.0
143.04959	1.7
145.06467	1.8
146.03607	2.6
146.67847	1.6
147.04401	21.4
147.08099	3.0
147.11685	3.2
148.05200	2.9
149.00546	2.0
149.05972	8.6
149.09596	2.8
150.06775	2.7
151.07536	55.3
157.06480	5.2
157.10104	2.5
161.05972	97.2
161.09602	23.0
162.06781	14.6
163.07545	59.8
165.09148	2.1
167.08539	4.1
174.06772	3.7
175.07558	12.8
175.11212	3.1
177.05540	2.0
177.09134	2.4
177.77615	1.6
178.07816	2.3
179.06992	7.8
181.08578	18.9
189.09096	54.5
193.03165	16.3
193.06564	1.8
193.12270	6.9
195.08052	7.0
207.10156	97.8
208.10573	2.5
210.06822	1.8
211.07550	2.0
219.10211	9.8
221.05933	3.6
221.09602	3.1
223.07576	3.7
225.09160	2.9
227.10689	11.1
235.07338	1.7
237.08978	2.7
239.06915	2.0
249.09157	4.4
253.08582	5.1
253.12231	4.4
255.10187	10.5
265.08594	3.0
267.10168	2.3
267.15955	11.9
281.11676	3.5
285.11340	9.4
285.16855	7.9
287.12759	34.7
293.11560	2.1
297.11157	4.3
299.12769	6.4
301.14365	2.6
311.12778	18.2
313.14297	34.0
325.14206	3.1
331.15353	53.5
343.15359	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
55.43353	1.1
57.03434	6.9
59.04977	1.7
60.46459	1.0
61.02908	2.0
65.03940	6.5
67.01875	1.1
67.05508	1.4
68.98659	1.0
68.99789	1.6
69.03074	1.4
69.03431	24.9
69.87627	2.7
69.87953	1.4
70.76051	1.1
79.05482	1.9
81.03409	5.0
83.04975	5.0
85.02902	21.9
87.04469	20.1
93.03410	3.6
94.24333	1.1
97.02886	20.9
103.03970	1.6
105.06939	1.4
107.04952	11.5
109.02850	1.4
110.07151	7.6
111.04440	28.0
115.03925	22.8
117.03372	2.0
121.03972	5.3
121.06456	3.4
123.04442	4.2
125.05978	1.9
127.03918	3.1
133.04965	27.1
135.04388	4.3
137.05995	2.0
139.03897	75.0
140.06818	3.8
140.29752	1.2
145.04953	3.2
150.07613	3.4
153.05353	1.6
163.03915	21.5
168.06630	1.7
171.06522	100.0
177.05453	4.6
178.13300	1.5
180.04199	6.2
181.04909	8.5
183.06537	9.3
195.06514	32.0
205.08745	2.2
207.06558	6.1
209.08167	1.2
213.07571	23.0
221.08134	2.0
223.15540	2.2
235.05858	1.1
237.07579	8.5
241.06927	1.3
249.07523	10.5
249.71526	1.1
251.15123	1.3
267.08643	22.6
268.08978	1.5
279.08585	1.9
283.03986	1.2
285.09644	3.2
297.09659	5.0
321.12973	2.8
401.81686	1.5
482.27054	2.4
483.18155	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01874	1.9
55.05505	0.7
56.34452	0.5
57.03429	1.1
57.07064	0.7
61.02921	1.5
67.01862	2.2
67.05492	0.8
68.99792	3.0
69.03426	27.0
69.07071	1.2
69.97376	1.0
71.04994	4.9
73.02935	1.2
76.96830	0.5
81.03416	35.2
81.07038	0.6
83.08628	0.6
85.02402	1.1
85.02899	17.0
87.00829	18.5
91.03960	0.5
93.07050	0.8
95.05022	0.5
95.08609	0.6
97.02892	21.7
98.97605	0.5
99.04453	13.2
100.11240	1.3
105.01869	10.6
107.08617	0.6
109.02875	48.4
110.03178	0.9
115.03967	0.7
117.01800	0.7
127.03912	100.0
128.04233	1.0
129.01807	3.2
145.04953	4.0
147.02818	2.7
159.02866	4.6
171.02899	1.0
173.09673	0.7
189.03845	0.8
195.02951	1.1
212.16335	0.6
213.01866	0.6
213.03926	17.4
231.04994	26.6
233.15474	1.2
234.15700	1.6
299.03961	4.9
317.04987	20.6
335.06100	10.1
408.62796	0.6
458.08279	0.8
482.27612	0.8
482.34543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89610	0.6
53.03949	7.6
55.01859	0.9
55.05500	1.3
56.96560	0.8
57.03435	1.4
61.02916	1.9
61.85515	0.6
67.01849	1.8
68.99776	4.0
69.03428	30.1
70.67747	0.6
71.04988	3.9
71.46122	0.7
72.08186	0.6
73.02921	0.8
81.03411	31.7
81.07048	0.8
83.08604	1.3
85.02903	19.5
87.00822	14.7
95.08613	1.1
97.02888	17.0
98.97607	0.7
99.04449	13.0
100.11251	2.0
105.01859	8.1
109.02876	42.8
113.00064	0.8
114.91285	0.6
117.01823	0.8
127.03908	100.0
128.04260	1.3
129.01820	4.6
134.40726	0.6
137.05952	1.8
142.43996	0.6
145.04955	4.2
145.10136	0.9
147.02890	2.8
153.01779	1.3
159.02829	4.0
171.02885	0.7
182.00143	0.6
189.03964	1.1
193.04074	0.6
195.02966	1.0
199.20644	0.9
210.14897	1.5
213.03918	17.0
231.04979	34.3
233.15350	1.2
234.15652	1.4
278.18369	1.4
299.03964	5.7
309.52576	0.7
317.05026	22.5
335.06055	11.4
352.21869	1.1
458.07892	1.2
482.08466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01874	1.9
55.05505	0.7
56.34452	0.5
57.03429	1.1
57.07064	0.7
61.02921	1.5
67.01862	2.2
67.05492	0.8
68.99792	3.0
69.03426	27.0
69.07071	1.2
69.97376	1.0
71.04994	4.9
73.02935	1.2
76.96830	0.5
81.03416	35.2
81.07038	0.6
83.08628	0.6
85.02402	1.1
85.02899	17.0
87.00829	18.5
91.03960	0.5
93.07050	0.8
95.05022	0.5
95.08609	0.6
97.02892	21.7
98.97605	0.5
99.04453	13.2
100.11240	1.3
105.01869	10.6
107.08617	0.6
109.02875	48.4
110.03178	0.9
115.03967	0.7
117.01800	0.7
127.03912	100.0
128.04233	1.0
129.01807	3.2
145.04953	4.0
147.02818	2.7
159.02866	4.6
171.02899	1.0
173.09673	0.7
189.03845	0.8
195.02951	1.1
212.16335	0.6
213.01866	0.6
213.03926	17.4
231.04994	26.6
233.15474	1.2
234.15700	1.6
299.03961	4.9
317.04987	20.6
335.06100	10.1
408.62796	0.6
458.08279	0.8
482.27612	0.8
482.34543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01868	5.1
55.05507	7.0
57.03434	2.4
57.07071	13.1
59.04997	3.0
68.14436	1.7
69.03432	15.8
69.06710	3.3
69.07069	51.1
69.07449	3.5
69.45776	8.1
71.04993	6.5
71.08615	10.2
73.02914	4.1
73.06552	9.3
79.42131	1.8
79.74595	1.7
81.03418	17.8
81.07051	3.3
83.08603	2.1
85.02902	50.1
85.10184	3.2
87.00822	19.7
89.06026	26.4
97.02888	27.7
97.20573	1.8
99.04447	8.1
105.01867	38.9
107.08553	1.6
109.02882	15.0
111.11717	70.7
117.01866	3.2
127.03899	38.5
129.12752	100.0
135.04413	3.9
145.04951	17.9
159.02879	7.8
187.07545	4.4
199.16905	19.7
208.05463	1.7
213.03851	2.3
217.18001	15.8
219.13724	2.8
231.04999	13.1
249.05885	3.4
249.09149	1.9
309.41315	1.7
359.17218	2.1
482.23642	3.0
482.30029	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05511	8.2
57.03434	9.8
57.07079	2.3
59.04992	2.8
61.02922	4.2
67.05502	6.2
69.03431	25.7
69.07067	10.8
70.75500	3.2
71.04990	12.6
73.02927	10.3
73.03269	2.1
73.06535	2.4
75.97491	1.7
79.05492	13.4
81.03416	10.8
81.07053	34.0
83.04971	4.5
83.08605	6.9
85.02412	1.6
85.02904	22.4
85.06518	3.2
86.03244	1.6
87.04453	8.5
91.05474	9.8
93.07050	58.9
95.04977	7.0
95.06102	1.8
95.08604	28.5
97.02899	22.0
97.06524	10.8
99.04470	2.0
105.04484	1.4
105.07032	5.8
107.04866	1.4
107.08588	47.2
109.02895	2.7
109.06498	2.6
109.10123	5.1
110.07137	8.6
111.08083	4.2
115.03939	19.0
117.03385	1.7
119.08559	4.0
121.06505	3.8
123.11658	3.8
124.90723	1.9
125.09595	1.4
127.03900	6.0
129.07025	2.1
131.08542	2.3
133.04935	13.8
133.10124	2.5
135.08046	2.0
135.11688	36.7
137.05966	3.8
144.38075	1.5
145.02850	4.7
145.04924	4.6
145.10156	2.3
147.11679	5.5
153.12738	90.3
156.07721	4.0
161.33965	1.6
165.12727	1.7
171.13800	100.0
172.14105	2.0
175.11140	4.3
177.05472	6.0
193.12242	8.8
203.49303	1.6
211.13301	5.7
223.06137	1.9
235.13242	2.1
253.14342	3.7
267.15875	8.4
275.05096	2.0
285.16971	18.3
303.04587	2.6
304.04739	2.6
305.04791	3.3
317.06461	4.5
318.06897	16.7
319.07016	10.4
320.07413	28.9
348.59155	1.6
419.85461	1.6
454.23062	2.0
482.22961	4.7
482.29263	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16680	1.4
53.03953	1.6
55.01871	2.6
55.05504	11.3
57.03435	9.8
59.04983	1.6
61.02924	6.1
63.48365	1.2
65.41076	1.4
67.05504	12.4
69.03429	10.6
69.07063	7.9
70.00838	3.1
71.04991	8.9
73.02914	1.9
73.06543	3.2
76.78619	1.3
79.05493	14.7
81.03415	42.6
81.07052	21.2
83.04967	10.7
83.08620	17.3
85.02901	22.4
85.06509	2.3
85.63250	1.4
87.04456	6.8
91.03955	1.5
91.05486	17.0
93.07032	14.4
95.04967	17.5
95.08599	7.2
97.02896	13.2
97.06529	2.6
97.10162	2.6
105.07014	10.8
107.04950	4.0
107.08580	7.7
109.02888	1.5
109.06513	3.6
109.10149	1.7
111.04451	3.1
111.08052	7.8
115.03919	12.8
115.05402	1.4
119.08594	9.1
121.06523	1.9
121.10143	5.4
123.08082	1.7
127.03935	1.9
129.07008	5.7
131.08586	7.3
133.04965	12.2
133.06483	3.0
133.10143	4.9
135.11703	9.7
137.05994	2.7
145.02846	2.6
145.04910	2.2
147.08026	1.9
147.11670	9.0
149.09586	3.8
153.12743	52.3
157.10106	10.5
165.12801	2.7
171.13837	1.6
175.11163	13.0
177.05421	3.6
191.33850	1.4
192.28644	1.9
193.12247	50.3
194.12468	1.6
198.13921	1.5
211.13283	41.4
267.15921	24.8
285.16953	100.0
286.17197	2.1
295.10193	3.4
303.04517	1.6
317.06451	2.4
318.06891	11.0
319.07166	10.9
320.07330	13.8
321.07190	1.7
481.82465	1.7
482.22961	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.6
57.03432	12.2
62.64775	3.3
67.05500	6.5
69.03432	36.3
69.07071	14.5
71.04996	13.5
73.02921	16.9
79.05494	12.9
81.03410	6.3
81.07070	23.9
82.58650	4.3
83.08630	7.4
85.02908	46.0
86.09725	5.9
87.04461	23.9
91.05476	11.2
93.07052	31.3
95.08610	15.2
97.02892	45.1
97.06525	5.0
97.66522	3.2
99.04509	3.4
103.03947	6.2
104.10764	9.3
105.07027	5.2
105.74779	3.1
105.80557	3.7
107.08587	34.2
109.02870	4.2
109.06508	5.5
109.10168	6.1
110.61893	4.5
113.66627	3.2
115.03928	45.8
119.08595	11.9
121.10194	3.8
125.13279	5.0
125.14248	3.8
127.03929	9.4
127.04823	4.1
128.58511	3.4
133.04948	37.6
135.11697	39.6
136.07568	6.0
137.06010	5.6
145.04988	12.3
153.12740	100.0
157.10144	4.9
165.54770	3.4
177.12758	4.3
184.07285	3.9
233.67311	3.4
235.74060	4.3
267.16043	6.8
285.16974	12.4
295.10281	6.7
315.18005	7.3
346.74142	3.8
353.76733	3.7
457.96097	4.6
482.21667	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94242	2.0
53.03936	2.3
55.01874	4.3
55.05505	22.0
57.03426	3.9
57.07077	7.0
59.04998	2.5
62.82033	1.9
65.03933	3.2
65.62360	1.9
67.05500	76.3
68.05851	2.4
69.03428	1.8
69.07064	21.1
69.74036	5.0
69.74383	3.6
71.04986	3.1
71.08614	2.4
79.05492	18.0
81.03413	5.6
81.07058	52.2
83.04984	2.7
83.08616	22.2
85.06519	3.6
85.10215	2.2
89.06038	3.5
91.05470	22.8
93.07046	18.6
95.01233	2.1
95.04954	13.2
95.08598	19.7
97.06514	5.5
97.10180	7.4
98.22740	3.0
98.98484	10.0
104.10732	2.4
105.04487	2.1
105.07037	24.2
107.04973	8.9
107.08579	11.1
108.05701	2.1
108.08101	1.8
109.06502	12.8
109.10146	66.6
111.08118	4.2
111.11761	2.1
112.99950	2.1
117.07033	6.6
119.08595	19.5
121.06537	5.2
121.10136	10.0
123.08062	5.1
123.11706	4.0
125.09644	3.0
129.06984	3.8
131.08553	9.8
133.08658	2.7
133.10139	12.9
135.08043	2.7
135.11699	4.1
137.09613	6.4
143.08588	3.8
145.10110	8.7
147.11679	13.5
149.09628	8.2
151.11095	4.7
155.01001	9.7
155.10640	9.8
157.10049	3.0
159.11713	6.4
161.09660	2.3
161.13219	3.5
163.11176	7.1
165.12779	6.1
171.11638	2.0
173.11737	39.6
173.13242	4.4
183.11700	1.9
187.11198	2.0
189.11179	2.1
197.13287	2.3
201.12801	3.8
223.13306	5.8
229.19608	2.9
237.56372	2.1
239.17934	3.4
247.20508	2.8
256.15259	2.7
257.19046	9.4
275.20044	100.0
276.20398	3.5
283.17499	3.3
293.21097	60.6
311.25812	33.1
339.28146	3.6
447.25021	5.9
447.31180	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01873	4.6
55.05508	17.3
57.03426	2.4
57.07067	3.9
59.04984	1.1
65.03909	1.9
66.84947	1.1
67.05499	34.2
69.07067	8.5
69.21605	5.9
71.04998	3.1
71.08618	4.4
71.74514	1.2
73.97058	1.0
77.03911	1.6
79.05484	17.0
79.42888	1.0
81.03410	4.7
81.07056	25.7
83.04974	3.7
83.08617	13.9
85.06543	1.7
85.10210	1.4
89.06024	4.2
91.05473	20.6
93.07044	18.5
95.04968	21.1
95.08598	12.6
97.06519	4.4
97.10178	4.7
105.04529	1.5
105.07020	22.2
107.04953	7.1
107.08586	13.4
109.06537	4.0
109.10148	17.8
111.08086	3.8
111.11707	1.3
117.06988	6.4
119.08567	17.9
121.06489	4.0
121.10111	8.4
123.08067	3.6
123.11688	3.3
125.09630	3.7
129.06972	2.1
131.08560	9.0
133.08604	3.5
133.10126	16.8
135.08075	4.4
135.11720	3.4
137.09589	2.7
139.99577	1.2
143.08548	2.5
145.10103	16.1
147.08026	2.1
147.11685	11.5
149.09616	19.7
151.11189	3.0
155.08569	1.4
155.10689	2.4
157.10104	3.1
159.11705	5.8
161.13243	2.0
163.11180	18.0
165.12785	3.1
169.10085	1.9
169.12250	1.5
171.11700	2.1
173.09618	3.2
173.11745	10.6
173.13258	2.7
175.11177	1.7
177.11130	2.2
177.12730	1.8
183.11661	2.3
187.11179	1.3
189.11290	2.3
197.13289	3.0
205.12321	1.4
213.16289	1.5
215.17975	1.4
223.13266	16.3
229.19551	2.6
239.17871	6.9
247.20477	2.7
256.15451	1.7
257.19022	12.2
266.94937	1.3
275.20047	100.0
276.20456	3.6
283.17429	2.7
293.21072	46.8
355.15790	1.2
368.45486	1.2
447.31128	1.9
465.37769	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.2
57.07079	63.8
58.34383	1.2
69.07062	7.9
71.07433	1.4
71.08636	59.1
73.06563	2.5
79.05483	1.1
81.07051	2.2
81.33747	1.0
83.08615	2.5
84.99712	0.9
85.10187	33.6
87.04481	1.3
89.06035	100.0
90.06378	1.1
91.78242	1.1
93.63570	1.0
94.22326	1.0
97.10181	3.1
99.11726	5.6
107.07079	2.9
111.11734	3.5
112.99999	1.7
113.13274	6.7
116.59171	1.1
117.09120	2.2
125.13229	1.1
127.14813	3.3
130.08626	2.0
133.08609	61.3
143.94588	1.0
151.09608	1.2
177.11232	26.9
195.12282	4.1
221.13895	4.1
239.14923	3.9
271.26315	3.5
283.17538	34.5
284.17944	1.5
315.28925	4.4
319.27246	1.1
377.32510	1.8
421.35202	2.2
432.61945	1.1
459.79242	1.1
465.37915	41.2
466.38226	2.1
482.36273	1.4
483.18686	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1841
Annotation	6-O-(4-Methoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
56.96542	0.8
61.69296	0.7
70.00340	0.7
72.86327	0.8
78.39454	0.7
94.19826	0.7
94.72419	0.7
102.26131	0.8
120.08149	0.7
125.72483	0.7
126.05520	1.5
160.06529	0.9
185.04221	1.0
189.01483	0.8
303.12094	4.3
321.13055	60.8
322.13379	1.5
348.08698	0.7
472.21982	0.7
483.18411	100.0
484.18723	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05503	2.1
57.03424	3.9
62.09009	1.2
67.05490	4.6
69.03400	3.6
69.07063	15.6
69.27380	6.4
70.06594	9.0
71.04979	4.1
72.37285	1.1
79.05493	18.5
81.03423	1.2
81.07053	12.3
82.07396	1.8
83.04984	1.6
85.02898	2.7
85.06536	2.1
91.05484	3.9
93.07035	4.9
95.04962	3.0
95.08599	3.4
97.02863	1.8
97.06528	47.0
105.04508	1.7
105.07014	5.1
107.04945	1.8
107.08584	4.9
109.06509	2.3
109.10120	2.3
110.07185	1.2
111.04440	1.3
111.08102	6.1
111.08733	1.2
112.07576	3.9
112.08828	2.4
117.03345	2.4
119.08575	4.3
121.06514	1.5
121.10152	3.0
127.03905	1.3
127.11138	1.1
129.06995	1.5
129.09111	3.2
131.08554	2.5
133.02832	5.2
133.10136	10.7
133.31938	1.4
135.04404	4.9
137.05931	1.4
143.07407	1.2
143.08517	2.4
145.02890	5.9
145.10132	1.4
147.04372	1.4
147.11641	1.8
149.09602	3.0
151.11176	1.5
155.04239	2.7
157.10135	2.5
159.04422	4.2
159.11769	3.0
161.02386	7.6
161.09634	1.9
163.03897	34.3
167.08574	1.2
167.10660	1.8
173.02341	66.2
177.05473	6.8
185.05957	3.8
187.03854	2.6
187.07495	1.8
191.03412	7.4
195.08070	2.0
199.03882	1.8
213.09081	3.8
215.07011	68.5
217.15950	1.9
223.07593	2.5
233.08038	4.2
233.11688	1.4
234.11984	2.2
235.16832	1.5
241.08580	38.0
244.01355	1.4
259.09644	64.8
260.09802	1.5
273.11206	100.0
274.11688	2.0
275.09070	2.0
285.45538	1.3
291.12143	7.0
291.19427	1.4
308.84143	1.2
322.78189	1.4
333.19919	1.9
351.08728	2.0
359.21793	3.3
439.22659	1.7
483.07227	8.0
483.21255	6.0
483.31741	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74833	0.8
55.01868	2.4
55.05523	2.8
57.03426	2.4
61.02924	2.0
67.05500	3.8
69.03424	2.0
69.07068	20.5
69.13205	5.4
70.06587	1.7
71.04974	1.0
77.72235	0.8
79.05495	10.5
81.03412	1.1
81.07040	4.1
83.04961	2.7
85.02904	0.9
85.06550	1.0
87.00824	0.9
87.08102	1.7
89.03929	3.0
89.33310	0.8
91.05474	2.1
93.07017	2.6
95.04968	1.9
95.08565	1.5
95.99560	0.8
97.06527	76.0
97.93661	0.8
98.06857	1.1
105.07019	2.5
107.05003	1.4
107.08576	1.6
109.10166	1.1
111.08078	2.4
112.07600	1.0
117.03362	3.5
117.06990	0.8
119.08591	1.6
120.08124	1.7
121.10250	1.0
127.03962	1.3
129.09109	2.2
131.04915	0.8
131.08521	1.7
133.02849	2.0
133.10139	2.2
135.04416	5.6
145.02824	5.2
153.35139	0.8
157.06471	1.2
159.04387	7.6
159.08105	1.1
159.11693	1.1
161.02345	22.6
161.09676	1.4
163.03897	49.7
168.58875	0.7
169.06459	1.1
173.02350	44.6
174.02608	1.4
177.05521	1.4
185.05960	4.3
187.07530	1.8
191.03371	8.1
213.09047	1.3
215.07024	82.8
216.07408	1.3
217.15913	1.8
223.07367	0.9
233.07999	3.9
235.16824	1.0
241.08588	13.7
259.09631	28.0
273.11200	14.3
291.12244	100.0
292.12656	2.4
461.48904	0.8
482.31461	0.9
483.17981	1.0
483.25189	1.9
483.31448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41655	1.1
55.05524	1.1
57.07072	7.6
65.38784	1.0
67.05519	1.9
69.07059	1.6
69.33029	3.9
69.33440	2.5
71.08634	5.7
73.06532	1.4
77.75224	1.0
78.95635	3.3
81.07013	1.1
83.08601	1.4
85.10165	3.9
86.95111	1.0
87.04452	1.8
89.06026	93.9
90.06351	5.9
93.07026	1.2
98.22726	2.3
98.23371	2.1
98.60546	1.0
102.13766	1.1
107.07059	2.9
107.08533	1.1
109.10118	1.2
113.83096	1.0
118.28101	1.1
130.08653	1.7
133.08597	43.3
134.08926	3.2
151.09598	1.5
172.93832	1.8
176.41100	1.2
177.11209	13.9
178.11536	2.1
195.12300	3.5
239.14899	3.7
246.21986	1.2
281.07922	1.3
283.17502	53.0
284.17841	11.4
310.31076	3.3
311.31482	2.8
343.09286	1.1
451.16165	6.8
465.38242	1.5
482.36716	3.4
483.18805	100.0
483.33777	3.9
484.19022	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1995
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
54.50195	0.3
58.22519	0.4
62.08232	0.4
70.70150	0.7
74.97917	0.3
97.46890	0.4
98.23026	0.6
103.60828	0.4
118.45609	0.4
132.33014	0.4
136.05194	0.4
137.06018	3.0
144.18246	0.4
151.07550	2.9
185.19032	0.4
189.09232	0.4
315.12509	0.5
372.45883	0.4
381.16635	0.8
423.17850	3.6
483.19925	100.0
484.20355	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84677	0.5
60.86744	0.6
69.89135	0.9
69.89437	0.8
98.22794	0.9
137.05994	4.1
143.08513	0.5
151.07552	4.3
314.55435	0.6
381.16678	1.3
423.17838	5.8
483.19901	100.0
484.20306	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32074	0.2
67.05492	0.3
68.26640	0.3
69.54234	0.8
81.07073	0.3
91.05499	0.3
93.07072	0.3
156.15462	0.2
196.67178	0.3
291.19296	0.3
297.80640	0.3
321.16617	1.4
389.20233	0.3
483.21976	100.0
484.22424	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.8
55.01870	1.8
55.05259	1.5
55.05513	21.8
57.03440	6.6
57.07078	7.4
67.05492	3.1
69.07070	22.4
69.34337	1.0
69.34657	3.5
71.08647	6.4
79.05479	2.1
81.07085	3.6
83.08622	20.6
85.10182	2.5
93.07047	3.7
95.04944	0.9
95.08614	3.3
97.06535	1.8
97.10174	13.0
98.23467	1.7
98.38400	0.8
98.98471	39.0
107.08584	1.8
109.10178	1.3
111.08029	1.1
111.11726	3.9
116.99564	0.9
121.10147	3.3
124.61532	0.9
125.09590	1.2
132.31908	0.8
135.11731	2.1
136.99980	1.6
155.01050	25.3
173.02063	1.9
211.03613	1.0
219.21088	1.2
229.04745	1.3
237.22206	4.3
247.05728	1.4
311.25797	100.0
312.26205	4.5
320.64987	0.9
348.32690	0.7
353.00980	0.7
391.22369	1.6
400.64539	0.9
447.25159	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15522	0.7
55.01860	2.0
55.05259	1.5
55.05509	19.5
57.03437	7.2
57.07082	8.8
57.71536	0.7
58.35506	0.7
67.05490	3.9
68.93226	0.6
69.06708	1.4
69.07064	21.5
69.44365	3.5
71.08627	5.8
73.02908	1.0
74.18407	0.8
75.04453	0.6
77.90844	0.6
79.05486	2.3
81.07047	5.2
83.04927	0.7
83.08617	20.7
85.10176	1.5
93.07054	2.2
95.08611	3.0
97.06534	1.8
97.10159	13.6
98.98463	38.7
105.06992	1.1
106.48225	0.9
107.08575	1.8
109.10188	1.5
111.08044	0.9
111.11761	3.7
111.12384	0.7
116.00007	0.7
121.10139	3.1
123.11602	0.9
135.11681	2.1
136.99918	1.6
155.01022	25.3
165.14230	0.7
173.02118	2.8
176.80235	0.7
186.14891	0.8
211.03630	1.0
219.21051	1.5
229.04680	3.2
237.22122	5.4
247.05786	1.4
247.13101	0.7
272.93674	0.8
276.20184	0.9
302.29755	0.8
311.25781	100.0
312.26242	3.7
347.39465	0.9
391.22556	1.2
430.49384	0.9
447.25085	16.9
483.18677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.2
51.02380	1.3
52.20408	1.1
53.03941	4.6
55.01875	4.2
57.03429	2.7
61.02923	3.9
64.21210	1.3
64.93083	1.2
65.03938	3.2
67.05503	9.1
69.03421	14.5
71.01380	2.7
71.06650	2.2
72.77966	1.2
73.02901	1.4
77.03924	2.7
79.05487	27.0
81.03412	14.1
81.07050	34.2
83.04964	1.8
85.02902	21.2
87.04463	1.7
91.04003	1.5
91.05476	52.5
93.07056	4.2
95.04962	24.8
97.02886	14.7
97.06509	1.6
97.48454	1.2
103.05500	2.2
105.03388	100.0
105.04523	4.7
105.07053	1.5
106.03781	1.6
107.04945	8.6
109.02866	3.8
109.06509	21.6
111.04459	2.9
119.04936	48.2
121.02857	22.3
121.06549	1.5
121.10104	1.2
123.04421	18.4
125.06013	1.1
127.03941	3.3
135.04416	6.0
137.05969	25.6
139.03847	2.2
140.06723	1.3
145.02847	1.6
145.04968	4.5
147.04381	14.3
153.05492	2.3
163.04137	1.6
165.05472	69.5
177.05473	1.6
183.06517	68.6
194.47333	1.0
204.32146	1.0
227.66441	1.2
269.08081	15.9
287.09143	12.9
401.66455	1.5
458.20892	1.3
484.24313	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40423	0.5
58.06594	0.8
58.65987	0.5
59.91774	0.4
63.02358	0.6
64.25809	0.4
67.05495	0.7
69.03422	1.7
69.59724	1.5
70.06572	1.5
71.04972	0.5
72.07797	0.6
72.08155	9.4
75.09233	0.9
79.05488	0.5
81.03374	0.7
81.07082	0.6
84.04462	0.7
84.08123	1.5
85.02888	2.1
86.09690	2.0
87.00752	0.5
89.03924	5.8
93.65644	0.4
95.04955	0.8
97.02885	1.3
98.23526	0.5
98.97571	0.6
99.04451	0.6
104.10724	1.3
107.04949	1.3
107.08578	0.9
109.02851	0.9
110.09689	0.5
110.56734	0.5
112.11238	4.0
117.03373	16.9
127.03906	0.9
129.13857	2.0
130.04991	0.9
134.03661	0.9
135.03476	0.6
135.04417	7.4
137.06036	2.3
143.10675	0.6
145.02844	53.7
146.16490	1.8
147.07643	1.2
149.05997	4.8
155.11790	1.6
161.06020	1.1
163.03902	61.7
164.04195	1.0
177.05467	64.8
178.05788	1.0
184.07430	1.0
195.10130	0.6
199.53397	0.6
219.11314	0.8
220.09686	38.3
233.13031	0.6
234.11253	23.0
237.02956	0.5
237.12173	0.5
248.12820	3.3
263.09537	0.7
281.10529	1.2
291.17090	2.6
299.11526	0.6
305.18558	1.7
308.19702	6.1
322.21240	8.7
400.87885	0.5
425.14780	0.8
443.15634	0.8
456.64642	0.5
466.23358	0.9
467.21887	1.2
484.24408	100.0
485.19144	0.5
485.24918	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
54.87392	0.8
55.01869	2.3
57.03423	1.0
57.07064	1.0
63.31666	0.8
68.24660	0.8
69.03429	5.1
71.04999	1.1
71.08633	2.7
81.03413	3.3
81.07040	1.4
85.02900	15.7
87.00806	5.7
88.47948	0.8
91.05473	3.2
95.08630	1.1
97.02871	4.8
98.27875	0.8
99.04429	1.7
103.03944	0.7
105.01863	8.5
105.07016	10.0
105.07655	1.2
109.02864	4.4
109.10190	1.2
117.07011	3.5
119.08575	13.7
127.03903	11.4
129.07008	1.1
130.07787	3.7
131.08566	9.7
143.08545	1.5
144.09282	1.5
145.04970	6.7
145.10118	100.0
146.10503	1.1
157.10300	1.1
159.02917	3.1
159.11697	11.4
189.04037	0.9
201.14447	1.7
201.16368	26.3
231.04997	4.0
249.06178	2.1
256.15591	1.0
380.80789	0.9
484.20612	2.2
484.27240	2.0
485.21521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54095	0.3
50.86063	0.2
55.05516	1.7
56.05835	0.3
56.96564	1.1
57.07069	0.4
64.00837	0.3
64.42572	0.3
67.05498	1.4
67.53991	0.3
67.79710	0.3
69.07069	1.6
69.13952	0.3
69.68361	0.9
71.05009	0.4
71.08644	0.3
79.05488	0.5
81.07072	1.4
83.08627	1.3
84.08923	0.4
93.07051	0.9
95.08612	0.6
97.10129	0.4
98.23366	0.6
98.98480	1.1
103.31682	0.3
109.10197	0.5
118.92098	0.4
122.40075	0.3
130.06544	0.6
131.07339	1.4
132.08087	0.8
136.93147	1.1
142.06451	0.3
142.44449	0.3
143.07350	0.5
144.08110	2.5
145.08855	0.9
146.09657	1.1
150.94576	0.4
150.95599	1.0
154.94170	1.7
155.01048	0.5
155.07303	0.5
156.08121	1.1
157.08894	1.0
158.09668	1.9
159.10449	1.1
160.11261	0.4
168.08163	0.4
168.95753	2.4
169.08821	0.7
170.09634	2.1
171.10434	1.1
172.11232	1.3
172.95279	1.3
174.12827	0.6
182.09734	0.8
183.10469	0.7
184.11238	3.4
185.12006	0.6
186.12708	0.7
186.96797	5.9
188.14319	0.4
196.11256	0.4
198.12775	2.6
204.97859	2.8
209.98523	0.5
210.12756	0.4
212.14343	1.7
226.15956	1.0
226.99797	0.5
227.16449	0.3
228.17525	0.6
228.97832	0.6
240.17526	1.2
242.99509	1.0
254.19048	0.6
256.16891	1.7
256.20651	0.5
268.17014	2.4
274.17960	1.5
282.18634	0.9
284.20084	0.8
286.18121	3.0
288.19565	0.5
294.18646	0.7
296.20236	0.5
300.19708	1.0
302.21320	0.5
308.20157	1.4
311.25894	0.9
312.19742	2.7
312.26184	3.6
314.21002	0.7
317.17911	5.3
322.21545	0.4
324.19727	0.4
326.21170	3.0
328.22794	1.3
335.18845	1.5
340.22797	2.3
342.24274	0.5
343.66568	0.3
354.24197	0.7
357.40451	0.3
358.20456	0.8
368.25821	0.6
411.15701	0.3
425.17813	0.4
436.28238	0.3
438.33289	0.5
448.25494	0.5
448.32080	0.7
453.17175	2.0
454.29355	0.3
466.33200	7.5
467.18555	0.4
471.18185	2.8
484.34238	100.0
485.20013	4.3
485.34531	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12313	1.7
55.05510	4.4
57.07086	4.2
57.12577	1.6
64.08714	2.2
67.05509	4.9
71.19710	1.9
78.41105	1.8
79.05509	4.5
81.07070	7.4
83.04978	6.3
83.08599	2.5
83.96133	1.9
85.10153	2.0
89.06039	4.9
91.05482	46.5
93.07035	7.4
95.08619	13.5
104.06215	3.3
105.07036	13.5
106.23535	2.1
107.08596	8.0
109.10154	5.3
111.04458	4.5
111.08085	5.4
117.07031	3.5
119.08588	8.6
121.06497	2.5
121.10164	2.9
123.08067	2.3
125.09550	2.1
131.08556	3.8
131.87602	2.0
133.10138	100.0
133.11156	4.8
135.11664	2.8
140.98389	1.7
143.08493	3.4
145.10091	8.2
147.08067	3.5
147.11676	4.6
149.09592	2.9
153.09134	2.6
155.08508	2.0
156.09314	2.4
157.10138	7.2
159.11684	6.4
161.09653	1.9
161.13245	2.4
169.10167	3.8
171.10219	2.7
171.11678	6.5
173.13287	3.8
181.10103	2.4
183.11655	4.2
185.13202	6.7
189.12776	2.8
195.11691	3.9
197.13214	4.1
199.14799	3.4
207.11784	2.2
207.13676	2.3
209.13234	3.4
211.14833	3.6
213.12773	2.4
213.16339	2.5
215.14287	2.8
217.12177	2.1
233.15318	3.1
235.14909	3.5
255.17284	2.2
257.18707	2.1
291.21143	2.6
309.22147	3.1
313.27417	2.6
351.23001	2.1
368.26886	3.0
407.29315	12.1
421.30991	6.4
431.29443	29.3
449.30484	40.8
467.31601	33.2
484.19202	9.5
484.30298	3.4
484.47162	4.8
485.20395	10.2
485.26309	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01933	0.4
55.01830	0.8
55.05508	3.6
57.03434	4.3
57.07057	0.5
58.06598	30.5
58.06861	1.7
59.07382	9.0
59.07654	0.7
60.08163	9.4
67.05501	11.2
69.07069	2.4
70.10517	0.5
70.44765	0.8
72.80710	0.5
75.04484	2.9
79.05500	2.3
81.07054	7.9
81.12979	0.4
83.04936	0.6
83.08574	1.2
84.08107	1.2
85.02867	1.4
87.04453	3.3
91.05438	1.5
93.05482	0.4
93.06983	1.7
95.04958	0.6
95.08600	5.9
97.06427	0.5
105.05466	1.0
105.06985	1.2
107.08519	1.4
109.10132	2.3
113.05932	1.0
119.08530	0.9
119.96684	0.5
123.11625	1.2
131.07013	1.9
133.10069	0.8
135.11662	0.7
144.08127	0.6
144.09235	0.6
144.10191	8.4
156.08090	0.5
162.11156	1.6
198.12682	0.7
218.13870	0.7
226.16045	0.5
234.29021	0.5
236.14911	80.4
237.15239	1.1
268.16852	0.8
306.15573	0.5
316.46857	0.5
326.21240	0.7
379.28882	0.6
422.36374	0.9
466.35297	20.1
467.35422	0.7
484.36279	100.0
485.36603	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13067	1.4
55.05502	9.0
57.03439	3.3
57.07076	22.9
57.07340	2.5
58.86484	1.3
59.41069	1.5
67.05503	21.0
69.07076	11.9
69.32224	8.7
71.08637	12.0
79.05498	9.7
81.03426	5.6
81.07047	14.7
83.04988	4.6
83.08633	5.7
85.10176	27.6
89.06022	4.0
91.05491	12.0
91.74368	1.5
93.07031	11.0
95.04964	7.4
95.08591	14.8
95.09055	1.4
97.10211	3.9
98.22712	3.0
98.23386	4.9
98.98486	10.6
105.07026	10.7
107.04951	8.6
107.08605	5.2
109.06493	2.3
109.10128	8.8
111.08072	1.7
113.09649	26.9
119.08607	5.2
121.10155	5.2
123.08047	1.9
129.07007	2.3
131.08566	2.8
133.10138	8.3
135.11769	2.0
139.10092	1.8
147.11687	7.1
149.09607	5.2
149.13284	1.6
151.11168	3.8
155.01027	5.5
163.11185	5.5
165.12743	29.6
173.11784	4.0
175.11156	3.6
179.14384	1.7
191.78853	1.5
241.19539	2.7
257.98624	1.6
259.20605	4.4
277.21649	49.1
278.94012	1.6
284.17914	2.0
295.22675	100.0
296.22940	3.7
313.27377	42.2
484.18915	5.9
484.46909	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1632
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
51.41407	0.6
56.96558	2.7
66.92618	0.7
70.06618	0.6
70.98101	0.7
84.15622	0.6
98.97587	1.8
99.77640	0.6
110.97561	0.9
124.77539	0.7
128.70860	0.7
140.06784	1.1
145.02803	1.7
149.29309	0.7
161.01379	0.7
177.05518	2.4
188.78818	0.7
210.77592	0.7
221.01366	0.7
225.04431	1.0
235.99969	0.8
237.02875	1.0
265.03665	1.0
269.03363	4.0
287.04202	3.3
311.04446	1.9
323.10919	8.3
443.04510	1.2
485.16275	100.0
486.16544	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
56.96288	0.8
56.96565	14.8
60.98430	0.6
67.05494	0.8
69.03423	0.6
70.06580	1.3
71.04959	0.5
72.08150	1.0
78.09235	0.6
81.07055	0.6
84.08165	0.6
84.16782	0.6
84.96063	0.6
85.02885	0.8
86.09702	0.6
95.06097	0.8
97.02909	0.6
98.97579	100.0
109.10166	0.6
110.07165	2.5
110.97567	2.9
115.00717	0.7
116.98615	37.0
119.01942	0.7
124.99127	1.0
125.07048	0.6
127.03876	0.7
128.98582	2.8
134.99675	7.1
136.07593	5.2
140.00168	1.2
141.78119	0.6
143.00157	2.3
143.01863	0.9
144.08034	0.8
146.99626	1.2
158.99643	9.8
161.01244	1.5
161.02945	0.9
169.12302	0.6
177.00714	9.4
179.03786	1.0
183.03206	0.9
184.07307	0.8
187.02853	0.8
189.12721	2.1
193.05418	0.9
197.04913	1.1
200.02394	0.7
207.03255	1.3
211.06458	1.2
214.14182	0.6
219.01787	5.5
219.06886	1.9
221.08397	1.1
223.06497	0.9
225.04555	0.9
229.07352	1.0
236.03542	0.6
237.02795	4.4
237.08020	1.5
239.09593	2.3
245.08578	3.3
263.09546	24.5
279.03738	1.6
281.10590	20.4
287.09500	0.9
299.11642	2.5
305.10565	26.7
306.10681	0.6
323.11646	30.2
324.12015	1.1
341.12744	5.8
346.13220	1.3
365.12686	19.6
366.12787	0.8
368.21786	1.0
381.19901	0.6
386.22507	0.9
425.14789	72.9
426.15219	2.1
443.15900	6.7
485.17072	8.8
485.24103	1.1
485.29895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01869	2.5
55.05511	6.8
57.03421	0.9
57.07076	1.3
61.02914	1.4
65.03940	1.9
67.05156	1.2
67.05501	18.2
67.05862	1.0
69.03426	6.2
69.07067	7.6
69.71095	2.5
70.06575	0.9
71.04993	2.5
73.02928	0.7
77.03948	0.9
79.05490	25.3
81.03430	4.3
81.07053	100.0
82.07391	1.0
83.04969	1.5
83.08614	3.0
85.02894	7.1
85.06532	1.9
86.09683	0.8
87.00829	2.6
91.05473	12.9
91.06045	0.9
93.07040	27.2
95.04966	5.1
95.08606	20.4
97.02893	4.4
97.06532	9.8
97.10166	1.9
99.04464	1.5
103.05447	0.8
105.01870	2.6
105.04522	1.2
105.07026	25.5
107.04957	1.0
107.08591	27.3
108.17827	0.6
108.46233	0.6
109.02868	3.2
109.06506	6.4
109.10159	21.2
111.08080	6.1
117.07029	5.2
119.08578	21.8
121.06484	1.7
121.10142	19.1
121.10993	1.4
123.04418	0.8
123.08064	8.1
123.11707	2.6
123.12532	0.7
125.09640	1.9
127.03910	6.0
127.07546	0.9
128.06172	0.9
129.07002	1.7
130.07784	2.6
131.08566	10.7
133.10124	17.4
135.04408	0.9
135.08058	2.8
135.11700	6.6
137.09618	5.4
137.37273	0.7
139.11182	0.8
143.08597	1.5
144.09332	1.2
145.02827	0.7
145.04971	1.7
145.10118	25.0
147.11687	8.2
149.09593	5.0
149.13235	4.0
151.11180	5.7
157.10176	1.8
159.02917	2.4
159.11679	16.9
161.13228	7.9
163.03923	1.8
163.11166	15.2
163.12430	1.3
165.12756	3.2
173.02315	1.4
173.13266	5.4
175.14883	3.8
177.12825	3.0
177.16393	2.1
181.19629	0.7
184.88460	0.7
191.14337	0.9
191.18002	1.4
199.14993	0.8
201.16370	24.3
215.07021	2.2
219.17430	19.8
220.17816	0.7
237.18526	1.8
259.09665	6.9
269.17465	1.0
270.17844	1.1
485.19318	2.8
485.24609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
57.03432	5.4
57.07074	27.1
62.05766	0.5
62.33990	0.6
67.05499	5.9
69.07067	5.1
69.34732	0.7
69.71893	1.7
71.08629	18.4
71.52229	0.5
75.04494	0.6
79.05498	0.7
81.07061	7.5
82.07272	0.6
83.08611	4.7
85.10172	10.3
89.90533	0.6
93.07049	0.8
93.64762	0.6
95.08599	11.6
97.10158	3.6
98.22762	1.0
98.23405	1.5
98.98461	23.7
106.36158	0.6
109.10172	4.9
111.11739	0.9
123.11695	1.8
133.66875	0.6
137.13213	0.7
155.01019	12.3
164.35283	0.6
173.02118	2.4
190.51729	0.6
229.04736	1.1
239.23741	1.7
244.87224	0.7
257.25000	0.7
274.35837	0.7
313.27341	100.0
314.27679	3.7
349.32788	0.7
393.24261	2.9
449.26605	6.1
502.85760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90258	0.5
55.02460	0.5
55.05514	2.6
57.03440	5.1
57.07080	23.7
67.05515	4.3
69.07069	4.5
70.74358	0.7
71.08634	17.0
79.05518	0.7
79.66112	0.5
81.07058	6.7
83.08621	5.6
85.10192	10.2
85.77538	0.5
89.06030	0.8
93.07049	0.5
95.08606	9.9
97.10175	3.0
98.98475	20.7
103.07574	0.6
109.10143	4.4
123.11710	1.5
133.10124	0.6
137.13245	0.9
140.55345	0.5
155.01053	11.3
173.02130	2.0
200.79810	0.5
221.22542	0.5
229.04735	0.7
239.23782	1.8
247.05869	1.3
257.24777	0.8
264.00812	0.5
313.27374	100.0
314.27689	3.4
393.24057	1.8
417.30051	0.6
449.26614	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
57.03439	4.9
57.07080	22.3
64.04073	0.5
67.05515	3.9
69.07070	3.5
69.44416	1.8
71.08635	15.5
76.16829	0.5
81.07065	6.4
83.08621	4.9
85.10189	7.7
89.06046	1.2
95.08612	8.6
97.10186	1.8
98.98472	20.7
99.11739	0.7
109.10151	4.0
123.11723	0.8
135.93645	0.6
137.13330	0.6
139.14850	0.6
151.14836	0.7
155.01050	11.6
173.02127	2.0
185.98927	0.5
203.21056	0.5
229.04797	1.1
239.23700	1.5
247.05859	0.9
313.27374	100.0
314.27676	2.3
393.23984	2.2
449.26727	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3628
Annotation	Methyl kulonate
Peak:m/z	Relative Intensity
51.62986	2.4
55.05511	6.7
56.21119	2.2
57.07067	9.9
62.74607	2.1
67.05511	14.0
69.07059	9.4
70.50438	2.4
71.08600	6.1
71.16326	2.3
71.46860	2.6
75.41985	2.5
79.05479	8.5
81.07054	24.9
83.08604	5.8
85.06535	5.0
85.10220	2.7
87.04462	6.3
91.04968	2.5
91.05480	9.9
93.07031	14.7
94.65586	2.2
95.04963	3.5
95.08603	49.4
97.10168	5.8
98.98473	8.2
105.07022	38.8
107.08584	21.6
109.06537	7.8
109.10148	37.5
111.08074	5.4
119.08569	42.9
121.06494	2.6
121.10146	19.3
123.08042	6.6
123.11710	6.7
124.65128	2.6
131.08580	6.7
133.10117	41.9
135.08046	5.2
135.11684	20.6
137.13232	4.0
143.08510	6.0
145.10156	7.7
147.08047	4.6
147.11679	16.0
149.09612	2.8
149.13268	10.0
149.39510	2.4
154.93137	2.4
155.01091	3.2
157.10139	5.8
159.07999	5.0
159.11719	7.4
161.09642	7.9
161.13240	13.8
163.14798	17.9
171.11697	6.2
173.09576	4.0
173.13281	12.2
175.11282	3.7
175.14809	43.0
177.16338	5.5
185.13312	5.2
187.14813	5.0
189.16364	67.0
189.18005	4.7
191.17934	2.8
193.15894	8.9
199.14941	6.0
201.16383	3.7
203.14317	25.0
203.18033	6.8
207.17450	34.0
213.16397	13.4
215.17996	4.7
217.15884	19.8
219.17442	7.4
227.17874	3.9
231.17464	10.0
233.18933	3.5
241.19545	8.7
269.19058	4.2
288.59265	3.0
297.22171	9.7
313.27350	32.4
389.32040	6.8
391.33588	3.2
397.31268	4.1
403.28589	2.4
407.33014	23.7
409.34778	7.9
425.34131	100.0
426.34747	4.5
435.32574	10.6
449.34015	5.8
453.17957	2.4
467.35223	3.7
485.20502	26.8
485.26895	4.9
485.36261	77.5
486.36966	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	27.3
55.01884	1.7
57.03421	3.1
60.08169	3.2
61.02919	5.0
67.01865	6.0
69.03432	29.3
70.06609	7.2
71.04993	4.7
72.08161	4.4
73.02917	2.2
79.05502	1.3
81.03417	51.8
83.01494	1.3
83.04994	2.1
83.78415	1.2
84.08144	3.1
85.02911	33.1
86.09706	14.3
91.05479	11.2
92.05827	1.7
95.04953	1.4
97.02895	39.2
98.97587	1.6
99.04458	14.2
103.03943	4.9
104.10746	25.7
108.04459	1.3
109.02881	100.0
110.15501	1.5
111.04454	1.5
111.11729	1.2
115.03928	2.6
116.07063	1.7
116.98585	1.4
118.53727	1.3
124.99997	7.8
127.03921	99.1
127.11179	2.1
128.04282	1.7
130.06537	3.0
133.04979	2.0
137.05949	1.3
139.03935	3.0
145.04977	10.8
151.03897	1.6
161.02902	2.4
161.06030	2.0
162.03154	1.7
168.30913	1.2
169.04973	19.6
169.06320	1.7
175.04001	1.4
176.07088	2.3
177.05515	2.4
180.82614	1.2
184.07330	22.2
185.02808	1.2
187.06021	87.0
189.05556	1.8
193.04991	2.1
197.05920	2.7
200.04689	3.3
205.07071	25.0
215.07069	6.7
229.07072	8.9
235.06195	1.5
247.05746	2.6
247.08130	27.5
259.09641	11.7
289.09116	2.2
295.08548	1.6
301.11838	1.3
312.09924	3.4
354.11057	3.7
355.10425	2.4
432.21265	1.6
433.13574	6.0
450.16736	1.9
450.22440	11.9
468.17245	1.6
468.23782	1.3
486.14493	2.8
486.24734	1.9
487.15744	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	27.3
55.01884	1.7
57.03421	3.1
60.08169	3.2
61.02919	5.0
67.01865	6.0
69.03432	29.3
70.06609	7.2
71.04993	4.7
72.08161	4.4
73.02917	2.2
79.05502	1.3
81.03417	51.8
83.01494	1.3
83.04994	2.1
83.78415	1.2
84.08144	3.1
85.02911	33.1
86.09706	14.3
91.05479	11.2
92.05827	1.7
95.04953	1.4
97.02895	39.2
98.97587	1.6
99.04458	14.2
103.03943	4.9
104.10746	25.7
108.04459	1.3
109.02881	100.0
110.15501	1.5
111.04454	1.5
111.11729	1.2
115.03928	2.6
116.07063	1.7
116.98585	1.4
118.53727	1.3
124.99997	7.8
127.03921	99.1
127.11179	2.1
128.04282	1.7
130.06537	3.0
133.04979	2.0
137.05949	1.3
139.03935	3.0
145.04977	10.8
151.03897	1.6
161.02902	2.4
161.06030	2.0
162.03154	1.7
168.30913	1.2
169.04973	19.6
169.06320	1.7
175.04001	1.4
176.07088	2.3
177.05515	2.4
180.82614	1.2
184.07330	22.2
185.02808	1.2
187.06021	87.0
189.05556	1.8
193.04991	2.1
197.05920	2.7
200.04689	3.3
205.07071	25.0
215.07069	6.7
229.07072	8.9
235.06195	1.5
247.05746	2.6
247.08130	27.5
259.09641	11.7
289.09116	2.2
295.08548	1.6
301.11838	1.3
312.09924	3.4
354.11057	3.7
355.10425	2.4
432.21265	1.6
433.13574	6.0
450.16736	1.9
450.22440	11.9
468.17245	1.6
468.23782	1.3
486.14493	2.8
486.24734	1.9
487.15744	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05515	2.5
57.03443	4.0
59.05005	1.0
59.37462	0.9
61.02914	3.2
65.03924	1.3
67.05504	14.6
69.03404	2.7
69.07063	5.8
69.15585	0.8
69.61443	1.6
69.61830	1.5
70.06586	4.5
71.04994	1.6
72.08150	2.1
74.81527	0.8
79.05492	4.5
81.03413	1.5
81.07059	8.8
83.04976	2.3
83.08604	1.1
84.08144	3.4
85.02908	4.1
85.06506	1.5
86.09695	5.2
91.05476	15.1
93.07068	5.5
95.04955	4.1
95.08605	1.4
97.02900	2.9
97.06528	9.7
99.04465	1.5
99.08078	1.1
100.11241	1.0
105.07029	10.8
107.08593	7.9
109.06516	2.0
109.10152	22.4
113.06029	1.8
114.09158	2.5
117.05509	1.0
117.07011	3.0
119.08569	3.8
121.10110	1.1
123.11691	3.8
124.69881	0.8
127.03955	2.2
128.06198	1.2
129.10258	1.8
131.08571	1.2
133.10126	42.2
134.10446	1.8
135.04396	1.2
135.08063	0.9
135.11726	1.0
136.07550	1.5
137.09641	1.8
140.06863	1.9
143.08556	3.3
145.04939	1.4
145.12227	1.3
151.11176	25.0
151.12405	1.3
155.10654	1.4
161.02281	1.1
161.09615	11.3
163.03816	4.8
169.06537	1.0
169.12227	3.6
173.02292	2.3
173.11732	3.9
179.10692	9.9
182.15486	1.1
189.05441	3.0
197.11774	3.8
215.07028	5.9
215.12752	15.5
231.05211	1.1
231.10191	2.6
249.11224	1.1
253.14362	7.8
259.09680	15.1
271.15369	31.7
285.10294	1.0
289.16431	100.0
290.16800	3.5
307.17526	3.1
333.07962	2.4
335.09457	11.2
338.13751	0.9
389.03937	0.9
396.14667	0.9
427.16507	1.1
486.18829	1.9
486.24863	1.2
486.34009	1.5
487.21472	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01886	7.3
55.05261	1.4
55.05522	19.6
56.96566	2.9
57.03427	2.1
59.10333	1.3
67.05502	9.8
69.03424	3.9
69.07077	6.1
71.04973	1.8
75.62611	1.3
79.05506	11.4
81.03420	5.8
81.07059	15.4
81.34471	1.5
83.04979	2.2
83.08614	15.1
85.02911	4.2
91.05498	11.2
93.07046	12.4
95.01347	9.3
95.04984	4.9
95.08627	11.2
95.69933	1.6
97.02919	1.8
97.06571	2.2
97.10148	1.8
105.07030	10.0
107.04976	4.2
107.08618	4.7
109.02869	2.9
109.06546	4.2
109.10159	4.9
111.04440	2.1
111.08080	5.1
115.05436	2.2
117.07033	4.4
119.08582	6.5
121.06532	3.1
121.10172	6.9
123.04384	3.6
123.08081	6.4
125.02357	2.1
129.07002	3.9
130.06528	1.8
131.08574	6.0
133.06482	3.6
133.10150	4.4
135.04410	2.4
135.08022	2.5
137.06012	2.2
139.03896	2.2
141.06992	4.2
143.08607	4.3
145.06493	3.9
145.10150	4.4
147.08073	3.4
147.11693	5.0
149.06035	1.8
149.09659	1.8
151.03925	3.8
155.03384	2.3
155.08574	1.8
157.06511	2.5
157.10158	4.4
159.08047	4.2
159.11742	3.4
161.09644	5.4
161.13243	1.6
163.03912	2.8
163.11269	2.6
165.12732	4.2
167.08507	1.9
169.10110	3.2
171.03331	2.2
171.08067	2.1
171.11694	3.3
173.06021	3.9
173.09619	2.7
175.03996	2.1
175.11081	2.5
177.05421	1.4
179.03384	2.3
179.08582	2.2
181.10164	1.7
183.08109	2.0
185.09659	2.3
187.03963	1.3
187.07501	2.0
187.11218	4.2
189.09145	4.7
197.04530	2.9
197.09685	3.8
199.11169	2.4
200.14383	5.3
201.09204	2.4
203.10623	2.4
215.10701	5.9
217.08675	4.4
217.12233	2.1
225.09224	6.7
227.10687	2.2
227.68108	1.4
229.08600	2.8
231.10129	2.4
233.11699	2.5
243.10202	8.1
245.11732	3.3
253.08600	3.4
256.21066	1.6
257.18930	3.0
258.17062	1.7
259.09625	1.8
261.11145	10.2
263.09708	1.6
271.09653	5.5
275.20065	5.9
281.10574	15.1
287.12943	2.2
289.10736	24.1
294.21808	2.7
299.11877	6.5
305.13889	3.9
307.11810	16.6
315.19742	3.1
321.13354	1.7
325.12881	4.8
333.20633	3.4
357.51303	1.6
367.17560	1.8
369.20462	3.4
377.15897	3.0
379.18723	1.9
385.19998	2.0
387.21823	2.1
389.23141	2.1
395.16943	5.8
397.20041	4.7
405.22623	2.8
415.21155	14.6
423.23718	3.1
433.22226	45.5
434.22495	1.9
451.23288	100.0
452.23724	3.4
469.24472	11.2
486.13623	1.9
486.21521	2.3
486.36038	22.3
487.23831	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68020	1.9
55.01871	4.4
55.05526	12.0
67.05501	6.4
69.03427	2.9
69.07061	3.4
69.50537	6.8
79.05483	7.5
81.07055	5.6
83.08624	10.3
91.05476	9.5
93.07036	9.8
95.01319	9.8
95.04984	4.2
95.08612	9.5
97.06545	3.2
97.71368	2.4
101.70094	1.9
105.03383	4.9
105.07018	5.3
107.08589	4.8
109.06535	3.0
109.10160	6.8
111.08121	2.9
117.07027	3.2
118.08073	2.1
119.08585	5.4
121.06480	2.2
121.10124	5.8
123.08090	2.6
125.02346	3.5
127.11190	7.9
129.07019	2.6
131.08557	6.4
133.06563	2.4
133.10114	2.9
141.07048	2.4
143.08551	4.9
145.06528	3.0
145.10095	3.0
147.08037	4.0
151.03902	2.6
159.11723	4.8
161.09602	3.4
163.03879	3.4
169.10059	2.4
171.08083	2.5
171.11766	3.0
173.06078	4.4
173.09618	4.7
177.01799	6.3
181.10149	2.3
187.11188	7.5
189.05348	3.3
189.09093	3.1
197.09552	5.2
201.05426	3.3
201.09138	2.9
203.07101	3.6
203.10780	2.1
215.10637	10.0
225.09126	5.2
233.08073	2.6
237.11169	3.7
237.38911	2.3
243.10173	14.0
261.11273	10.6
271.09622	3.2
275.19916	2.5
279.12158	3.0
289.10748	10.9
307.11728	16.3
325.12781	100.0
326.13367	2.1
405.22836	3.3
415.21402	3.7
433.22281	17.1
451.23227	50.6
486.11917	2.8
486.35794	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
56.96544	1.1
57.03434	5.9
57.07072	8.8
58.06598	32.2
58.07382	1.8
59.07378	9.0
60.08161	9.0
61.85280	0.5
65.41444	0.5
67.05497	5.6
69.07060	6.8
71.08627	5.6
72.08971	0.9
73.03418	0.4
75.04483	2.6
79.05451	2.4
81.07050	6.1
82.07379	0.7
83.08611	4.6
84.08107	0.8
84.08933	0.8
85.02880	2.2
85.10152	2.3
86.10493	1.0
87.04463	4.5
91.05470	1.1
93.05505	0.6
93.07013	2.6
95.08601	7.1
96.08906	1.2
96.53716	0.6
97.10134	2.1
98.98470	5.2
102.05527	0.6
105.05510	0.8
107.08543	1.9
109.10156	2.6
110.10452	0.8
111.08106	0.6
113.06009	0.9
119.48347	0.5
121.10094	2.0
123.11670	0.7
125.09601	0.6
131.06981	1.9
135.11687	1.4
136.93069	1.2
144.10196	8.4
149.13200	0.7
150.95557	2.3
154.94153	1.7
155.00992	2.5
162.11241	0.8
163.45546	0.5
168.95714	2.6
172.95271	0.9
186.96829	5.5
204.97832	2.0
209.98352	0.7
218.13882	0.7
224.98369	0.9
228.97981	0.6
236.14909	84.5
237.15227	1.6
240.24139	1.2
242.99420	0.7
258.24991	0.6
313.27399	4.9
314.27692	30.1
315.28070	1.2
319.19473	1.8
325.27341	1.1
337.20544	2.6
341.65775	0.5
360.22354	0.7
450.26822	1.5
455.18604	0.8
468.36847	23.0
468.43594	1.2
469.37576	0.8
473.19864	3.7
486.37885	100.0
487.21692	5.5
487.38254	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
59.14577	0.2
67.05505	0.2
69.07066	0.2
72.08157	0.3
79.05482	0.5
84.08171	0.3
86.09709	0.5
91.05487	0.3
97.06532	1.3
98.06865	0.5
98.23616	0.4
105.07065	0.3
107.08604	0.3
124.68322	0.3
136.07564	0.3
137.05981	0.5
163.03940	0.6
164.04344	0.3
173.02350	0.5
174.02776	0.4
203.05371	0.3
215.07045	0.3
216.07323	0.4
259.09637	1.0
260.09998	1.8
275.07297	0.3
325.16150	0.4
333.07971	0.4
335.09479	8.3
336.09775	0.4
355.17450	1.3
385.44495	0.2
414.81775	0.3
469.20816	0.4
487.21484	100.0
488.21814	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.01860	0.4
55.05520	0.3
64.68958	0.4
67.05518	0.6
69.03417	0.4
69.07072	0.9
70.02052	0.9
70.51602	0.3
72.08144	0.4
76.90044	0.4
77.97183	0.3
79.05520	0.7
81.07076	0.5
84.04530	0.4
86.09718	1.7
94.60556	0.4
95.04970	0.5
95.36275	0.3
97.06519	3.1
98.06875	1.1
101.28767	0.3
105.07066	0.5
142.43178	0.3
145.02850	0.4
161.02344	0.6
163.03909	1.6
163.26297	0.4
164.04300	0.6
173.02400	0.9
174.02777	0.6
181.28204	0.3
185.04326	0.5
215.07074	0.8
216.07372	1.9
230.81622	0.4
232.10693	0.4
259.09729	1.7
260.10028	4.3
269.12515	0.5
307.15317	0.6
314.80859	0.3
325.16116	2.6
335.09277	0.7
464.77570	0.5
469.20383	8.8
471.13840	1.0
487.21530	100.0
488.21967	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43016	0.3
56.96561	17.1
69.71808	0.7
71.95253	0.4
72.96011	0.4
74.97591	0.4
79.05450	0.4
81.07042	0.3
84.96009	0.4
97.96794	0.6
100.34335	0.3
105.00119	0.8
110.97552	0.7
115.00671	0.5
119.01688	0.6
123.01125	1.1
127.00639	0.5
128.98549	0.5
137.02698	1.0
139.00662	3.1
141.02197	0.7
146.99677	0.4
151.00670	1.5
153.02226	8.1
155.03751	1.0
157.01694	1.9
159.03287	0.7
163.02931	0.3
163.04309	0.8
165.02214	0.9
167.03809	3.2
169.01709	1.8
171.03279	10.9
173.04836	1.5
179.03754	1.2
181.05386	2.7
183.03282	0.9
185.04846	7.4
187.02769	0.5
187.06369	0.3
189.04326	2.2
191.05856	0.5
191.07381	0.4
193.05357	0.4
194.04836	0.7
195.03162	0.5
197.04875	2.4
199.06401	6.3
201.04366	0.6
203.05862	5.1
203.07498	0.6
207.06934	1.8
209.08430	1.1
211.02739	0.4
211.06403	0.6
215.05873	1.2
217.05481	0.5
217.07426	3.8
219.10576	0.6
221.08522	1.7
225.07977	3.4
227.09492	0.9
233.08618	1.6
235.10048	2.4
237.07986	1.3
237.11655	0.6
239.05765	0.4
239.09491	0.5
243.09053	0.8
245.08443	2.2
249.07928	0.4
251.09564	3.6
253.11143	2.8
255.08992	0.7
263.09482	16.0
264.09924	0.9
267.09094	0.4
269.10507	1.5
281.10583	100.0
282.10956	3.0
299.11639	51.4
300.12076	1.3
304.12152	9.9
305.12656	0.6
322.13284	2.2
396.73334	0.4
487.23654	40.1
488.23688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.5
53.03933	4.3
55.01874	3.2
55.05508	12.4
57.03439	3.2
57.07074	3.7
60.18835	2.2
61.02908	2.5
66.09949	2.2
67.05518	9.4
69.03414	14.4
69.07064	14.0
70.06581	5.4
71.05003	20.7
79.05497	19.2
81.03416	6.7
81.07051	74.9
83.08629	9.2
84.08137	2.6
85.02905	20.9
85.06555	5.0
86.09695	2.3
87.00831	7.0
91.05499	13.7
92.75977	2.6
93.07047	40.7
95.04968	6.8
95.08610	31.0
97.02895	11.4
97.06534	3.1
97.10175	5.1
99.04484	3.8
99.08101	4.4
105.01877	9.2
105.07023	30.6
107.08588	59.4
107.09258	4.4
109.02911	3.5
109.06527	2.9
109.10146	26.3
111.11741	3.4
119.08581	39.5
121.10142	17.2
123.11718	21.1
125.09629	10.5
127.03902	10.7
127.11204	9.1
130.55028	2.5
131.08563	5.2
133.10124	35.3
134.41061	2.6
135.11687	100.0
137.13252	5.8
140.51994	2.1
141.73769	2.8
143.08514	3.7
143.10670	21.9
145.05019	3.6
145.10136	4.6
147.11671	22.3
149.13266	10.2
153.12721	5.2
159.02910	2.9
159.11700	6.8
161.06004	2.2
161.13252	12.3
163.14824	2.5
165.12770	3.3
171.11644	2.7
173.09680	2.9
177.16434	2.6
203.17943	45.4
205.19476	6.1
220.04500	2.5
221.19000	39.2
231.05046	3.1
259.09619	3.6
260.10056	4.3
375.89035	2.4
448.97144	2.6
487.10855	22.3
487.21375	36.0
488.14670	3.4
488.22171	2.9
504.50662	2.5
510.71536	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01864	5.8
55.05506	15.9
56.87511	3.2
57.03430	5.7
57.07067	4.6
57.83367	3.3
66.25586	3.0
67.05500	14.7
69.03426	24.1
69.07062	18.7
71.04975	17.7
75.04478	10.4
79.05470	17.8
81.03422	16.4
81.07053	52.1
83.05009	4.2
83.08620	9.0
85.02897	33.0
87.00813	21.8
91.05464	16.3
93.07043	29.4
95.04960	9.0
95.08592	32.3
95.26072	3.2
96.35418	3.5
97.02904	18.9
97.06504	6.5
99.04431	8.3
99.08078	5.7
105.01835	11.0
105.07015	31.3
107.08588	44.6
109.02875	10.6
109.06451	5.0
109.10153	31.7
111.04411	4.3
111.05162	3.4
115.03967	4.3
119.08570	46.2
120.90186	3.1
121.06543	4.3
121.10131	17.7
123.11687	18.8
125.09591	4.5
127.03915	21.4
127.11174	13.5
131.08566	8.4
133.10127	30.0
135.10658	4.1
135.11676	56.5
143.10634	7.7
145.04996	8.8
145.10074	4.3
147.11731	18.1
149.13303	6.2
150.41304	3.6
151.07507	10.5
157.10092	3.8
159.02881	4.4
159.11739	8.9
161.13203	8.1
165.09105	4.3
181.08588	4.3
189.05177	7.5
197.13365	3.7
203.10890	4.8
203.17918	47.5
205.19528	5.4
221.18988	24.3
235.06862	3.3
260.10013	6.5
288.48495	3.7
311.20020	4.8
412.14642	4.2
427.16986	6.6
487.19934	100.0
488.20712	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.02385	3.3
53.03946	24.5
55.01875	17.2
55.05518	34.2
55.37541	2.9
57.03451	3.5
57.95430	2.7
61.84963	3.1
62.01040	2.9
65.03931	5.2
66.26869	2.6
67.05161	5.9
67.05508	92.7
69.07071	25.3
69.24238	19.0
71.05025	4.0
79.05493	68.5
81.03411	45.8
81.07058	74.6
83.04984	16.9
83.08608	16.9
85.02912	4.1
85.06546	4.7
91.05483	53.9
93.07042	60.1
95.04973	39.0
95.08602	37.0
97.06547	22.7
97.10147	9.5
98.23277	13.5
103.05467	4.0
105.07027	36.3
107.04957	60.4
107.08596	35.9
109.06510	19.6
109.10173	17.3
111.08046	4.4
115.05455	5.4
117.07028	39.2
119.08587	30.1
119.87757	3.3
121.06512	7.7
121.10155	43.0
123.11709	6.6
125.09607	11.0
128.06216	7.7
129.07001	19.0
131.04901	8.5
131.08563	38.1
133.06500	5.3
133.10120	20.0
135.08076	5.0
135.11723	22.0
141.06880	4.8
142.07820	3.4
143.08562	16.5
145.06476	24.6
145.10109	57.5
147.08081	7.2
147.11720	10.1
149.09596	16.3
149.13225	5.4
153.06966	4.2
155.08554	46.7
157.10109	13.6
159.08058	4.3
159.11685	11.9
163.11183	51.1
169.10054	7.3
171.11714	11.7
173.09622	100.0
173.11705	6.1
173.13206	6.9
175.11217	6.4
177.12744	4.1
181.12195	12.4
183.11697	5.0
185.13257	7.7
186.96785	9.3
187.11197	3.6
191.10669	74.0
195.13795	3.1
197.13298	4.5
199.14870	3.4
209.11734	29.2
213.12665	3.9
217.15909	4.7
223.15010	3.2
227.12779	18.7
236.14906	5.3
256.01694	3.0
277.21552	3.1
287.20184	4.1
301.21738	6.7
319.18396	3.7
415.29819	7.0
433.30795	12.1
451.31839	30.7
452.85242	3.6
469.33017	41.3
487.20209	14.4
487.34171	68.8
488.33728	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3439
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
53.03934	1.9
55.01876	3.3
55.05512	20.4
56.96563	6.0
57.03434	2.9
57.07073	9.2
65.03936	1.8
66.39156	1.2
67.05156	2.7
67.05504	38.3
69.03419	2.3
69.07067	14.8
70.88857	1.2
71.04977	4.0
71.08634	3.6
77.03935	1.3
79.05491	27.5
81.07056	39.1
83.04988	5.4
83.08628	8.3
85.06542	3.3
85.10185	2.7
87.04462	25.5
88.04819	5.5
91.05471	33.9
93.07043	32.2
95.04961	8.0
95.08607	25.0
97.06522	3.4
97.10167	6.3
98.98466	6.2
99.08125	2.1
102.92612	1.8
103.05514	1.4
105.04512	2.6
105.07030	27.6
107.04947	5.2
107.08585	15.9
109.06543	7.6
109.10150	11.2
111.08080	3.6
115.05436	2.7
117.07025	12.7
118.92078	2.3
119.05001	1.5
119.08582	17.2
121.06501	8.5
121.10142	10.7
123.08046	2.4
123.11723	4.4
125.09651	2.2
128.06244	3.9
129.07002	15.0
131.08569	22.5
133.06459	7.1
133.10115	18.4
135.08058	5.1
135.11696	7.2
136.93112	10.0
137.09657	2.0
141.06953	7.1
142.07774	2.3
143.08539	16.4
144.09322	1.4
145.06476	8.7
145.10107	17.4
147.08047	9.6
147.11699	6.1
149.09633	7.3
149.13293	1.6
150.94704	5.4
151.11235	2.0
153.06992	1.7
154.94176	12.6
155.01039	1.5
155.08560	13.1
156.09256	1.6
157.06520	4.2
157.10121	14.1
158.07291	1.9
159.08049	8.3
159.11690	10.8
161.09642	5.6
161.13319	2.2
163.11214	5.1
167.08603	4.5
168.09370	1.9
168.95755	16.5
169.10110	9.7
171.08041	4.6
171.11691	9.4
172.95222	10.7
173.09642	5.6
173.13303	3.0
175.11223	5.2
177.12801	4.1
179.08630	1.9
181.10118	6.8
182.10892	1.5
183.11714	8.7
185.09648	4.5
185.13242	8.5
186.96783	46.3
187.11267	6.5
187.12679	1.5
187.14857	2.5
187.32944	1.4
189.12817	1.5
190.96358	4.0
191.97357	1.8
193.10143	1.8
195.11717	5.6
197.13277	6.2
199.11224	4.0
199.14827	3.6
201.12762	4.2
204.97850	20.0
209.13306	3.7
209.98439	7.1
210.96828	2.9
211.14847	4.3
213.12793	3.8
213.16484	1.7
215.14188	1.8
221.21638	1.5
223.14838	4.3
224.98438	4.3
225.12755	2.1
227.14365	3.3
227.99522	2.4
228.97931	4.2
235.14888	2.7
239.14333	2.3
241.15967	2.6
241.19450	1.5
242.99471	7.1
246.99022	1.8
253.15968	1.7
269.18860	1.7
271.17017	2.8
275.20218	3.0
295.20621	2.2
297.22360	1.4
301.21539	2.1
311.19998	1.7
313.21616	5.0
313.27469	6.9
314.27710	4.0
315.27994	13.6
319.19437	13.6
337.20444	16.6
339.23285	3.5
360.22089	3.6
383.25772	1.9
405.31870	3.2
413.17422	2.3
415.29779	4.0
423.32809	8.2
427.19299	4.0
431.18796	1.9
433.31012	33.0
434.31189	1.9
441.33209	2.1
451.32101	93.2
452.32407	5.3
455.18939	5.7
466.93976	1.6
469.33112	100.0
470.33426	3.8
473.19800	25.9
474.20102	2.4
487.21921	61.5
487.35059	38.8
488.22424	3.1
496.21475	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	EUSCAPHIC ACID B
Peak:m/z	Relative Intensity
50.63437	1.8
55.00507	2.1
55.01870	5.4
55.05507	19.7
56.05883	1.9
56.96557	9.4
57.03437	4.0
57.07071	15.0
58.07407	3.1
61.91871	2.1
65.03921	4.0
67.05501	42.3
69.07068	18.7
71.08624	10.9
72.08984	2.8
75.97044	2.0
79.05487	32.1
81.07051	39.9
83.04974	3.8
83.08604	10.1
84.96046	2.4
85.06536	3.4
85.10180	2.4
90.97183	2.2
91.05470	32.6
92.42045	1.9
93.07037	31.5
95.04978	6.3
95.08602	26.6
95.72189	2.1
96.08943	2.2
97.06555	3.4
97.10184	6.9
98.22711	4.2
98.98463	14.2
102.92633	2.0
105.04527	2.7
105.05507	1.9
105.07032	28.8
107.04964	4.9
107.08590	16.4
109.06528	5.0
109.10153	15.0
111.08096	2.0
115.05464	3.7
117.06998	12.3
118.92110	5.8
119.08588	22.6
121.06512	8.2
121.10168	9.0
123.08046	2.7
123.11723	3.4
128.06244	6.6
129.06982	15.2
131.08554	25.2
133.06506	6.2
133.10114	16.9
135.08076	6.5
135.11714	3.0
136.93095	13.6
141.07027	5.2
143.08562	16.8
145.06494	8.4
145.10115	17.3
147.08073	8.5
147.11711	5.8
149.09616	5.7
149.13260	4.0
150.93655	1.8
150.94591	3.3
150.95657	10.4
154.94168	18.7
155.01019	4.3
155.08527	15.7
156.09358	2.9
157.06499	5.6
157.09033	2.1
157.10138	13.4
159.08041	11.2
159.11674	12.5
161.09683	5.6
161.13321	2.7
163.11234	2.8
167.08493	2.3
168.95731	27.7
169.10129	12.6
171.08023	4.9
171.11700	10.0
172.95259	16.1
173.09624	7.7
173.13295	5.0
175.11234	2.7
177.12769	3.2
177.95738	3.1
179.08566	2.8
181.10184	6.8
183.08186	2.6
183.11655	9.9
185.09671	4.3
185.13278	8.4
186.96794	63.3
187.11269	4.3
187.14970	2.2
190.96295	4.5
193.10168	3.2
195.11794	7.5
197.09634	3.5
197.13281	6.7
199.11201	3.2
199.14850	3.3
204.97807	22.9
209.13211	4.4
209.98451	8.4
210.96783	4.4
211.14719	3.2
215.14430	3.5
217.15782	2.3
223.14832	2.9
224.98405	6.5
225.16473	2.0
228.97910	7.1
242.99483	8.0
248.00146	2.1
271.16779	3.1
279.21280	2.3
295.20541	4.4
313.21631	4.2
313.27280	17.9
314.27603	9.4
315.27954	33.6
319.19424	21.8
321.22049	2.7
337.20526	22.1
337.27216	2.1
360.22177	4.8
366.50708	2.3
383.26047	4.3
405.31409	2.4
413.17670	4.9
415.30017	4.1
423.32642	7.4
427.19443	3.8
431.18848	3.8
433.31061	29.3
451.32086	98.0
452.32559	4.7
455.18823	6.7
469.20471	6.6
469.33102	100.0
470.33566	4.3
473.19717	37.4
487.21851	73.8
487.34769	19.9
488.22339	4.1
496.21310	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01873	2.4
55.05513	6.2
57.03436	15.4
59.04996	0.6
61.02925	7.5
67.05503	0.8
69.03426	14.2
69.25496	0.6
71.01351	1.4
71.04990	11.7
71.72762	0.7
73.02913	13.2
75.04478	80.9
76.13042	0.6
79.05502	0.8
81.03407	5.7
81.07049	1.0
83.04983	16.9
85.02901	100.0
87.04477	3.0
91.03951	5.3
95.04974	0.7
97.02888	21.0
98.23436	1.3
99.04472	4.7
100.11222	0.7
101.06018	7.0
109.02872	7.5
111.04441	14.6
117.03277	0.5
121.06492	0.6
127.03912	22.1
129.05475	17.5
139.03793	0.7
145.04951	38.0
147.06516	13.1
151.03903	1.6
163.06021	12.8
181.04909	1.0
199.05940	3.8
213.07385	0.6
217.07147	4.6
237.07521	2.7
255.08670	3.5
273.09659	5.1
291.10611	1.7
291.19574	0.8
309.11575	1.7
325.11151	1.8
393.16235	0.7
488.19199	0.9
488.33145	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.6
57.07091	4.1
64.79126	2.2
65.03950	2.4
65.37043	2.0
67.05512	25.5
69.03441	2.6
69.07068	21.1
69.96036	5.0
69.96397	4.8
79.05486	13.6
81.07068	27.2
83.04994	10.5
83.08636	6.8
91.05468	17.2
93.07043	32.8
95.04969	6.2
95.08609	50.3
97.06545	3.7
97.10210	4.5
98.23474	4.1
105.07040	34.5
105.28188	2.2
107.08611	29.9
109.06501	5.3
109.10171	15.5
111.04468	5.0
111.08105	7.7
113.06062	2.6
113.55691	2.2
115.05498	3.0
117.07018	12.5
119.08589	38.6
121.06532	5.5
121.10137	17.1
123.08040	14.7
123.11704	7.6
124.89680	2.2
125.09603	3.8
128.06276	5.0
129.07027	7.7
131.08583	18.9
133.06551	2.1
133.10149	26.4
135.08084	5.0
135.11711	6.7
137.09596	6.0
139.07584	3.1
141.07056	3.4
141.09102	4.4
142.07814	5.8
143.08557	26.4
144.09372	3.8
145.10133	31.7
147.08098	5.0
147.11703	19.0
149.09619	6.1
149.13225	3.9
154.07719	2.5
155.08575	8.8
156.09393	6.9
157.10146	36.6
158.10902	3.3
159.08058	3.3
159.11700	30.4
161.09608	11.9
161.13266	14.2
163.11226	6.6
163.14822	2.8
169.10107	12.5
170.10963	5.1
171.08060	4.0
171.11707	28.8
172.12358	3.3
173.09697	7.2
173.11929	4.1
173.13292	18.5
175.11215	10.2
175.14815	6.0
179.10712	3.6
181.10121	6.6
182.10939	2.3
183.11699	11.4
184.12511	4.0
185.09639	3.8
185.13284	22.3
187.11215	8.0
187.14804	19.5
189.12715	7.1
189.16379	3.5
191.10667	2.3
193.10226	2.2
194.10892	2.8
195.11739	6.4
196.12546	4.1
197.13258	11.7
198.14037	3.4
199.11226	4.4
199.14839	15.5
201.12712	5.4
201.16344	4.6
203.10591	2.4
203.18033	3.0
209.13326	6.1
210.13953	2.4
211.14812	12.7
213.12807	6.7
213.16428	8.3
215.14317	8.9
216.14671	2.2
219.11696	3.6
221.13196	3.3
223.14905	4.8
225.12840	4.4
225.16466	7.1
227.14340	9.9
227.17924	18.4
229.15865	10.4
231.17392	3.8
237.16382	2.8
239.14326	2.4
239.17976	4.1
241.15845	4.7
241.19455	12.3
243.21100	7.2
251.18073	7.1
253.15936	3.1
255.17461	4.7
267.17480	6.3
267.21097	4.3
269.18951	20.1
295.20590	7.5
299.20306	2.5
321.18536	2.7
349.24991	4.3
351.23151	9.6
363.26816	5.4
367.26349	41.0
368.26605	2.4
369.24222	31.8
373.25211	4.6
381.27844	15.5
383.29544	3.5
385.27481	3.7
391.26208	18.4
409.27371	100.0
410.27560	6.5
417.24377	4.0
435.25537	4.7
488.42963	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01871	11.4
55.05511	57.5
57.03440	9.1
57.07079	3.2
57.28097	3.1
59.05001	6.8
67.05502	100.0
69.03426	4.3
69.07069	14.6
71.01354	4.4
71.04980	5.6
72.04539	3.0
73.02919	3.5
73.67916	3.0
79.05488	33.2
81.03423	21.8
81.07056	51.3
83.04984	13.4
83.08607	29.2
84.06477	3.0
85.02899	20.7
85.06531	5.2
87.04475	10.4
89.08411	3.1
91.05475	34.0
92.05814	3.8
93.07036	39.3
95.04977	9.4
95.08611	31.3
97.02904	4.1
97.06535	9.0
97.10172	35.6
105.07026	11.5
107.04971	6.9
107.08583	32.8
109.06514	4.9
109.10155	64.8
111.08086	8.0
113.00021	9.9
117.07021	7.8
119.08591	16.6
121.06510	4.8
121.10155	13.9
123.08044	4.4
123.11690	5.1
125.09633	44.0
129.06987	4.7
131.08580	13.9
133.10153	10.8
135.11690	17.8
137.09668	4.5
143.10678	7.1
145.10138	12.9
147.07965	4.2
147.11722	6.2
149.09592	5.4
149.13234	11.4
150.95631	6.4
153.12724	7.6
155.08510	3.5
155.10687	10.5
157.12267	6.5
159.11691	7.6
163.11176	20.7
164.11545	3.6
168.95813	5.1
171.13866	6.2
173.09688	12.0
173.11734	67.1
177.12790	5.2
181.12210	3.9
186.96788	7.4
187.13277	11.2
191.10684	9.6
193.12277	7.6
195.13808	29.7
209.11679	18.5
210.11909	3.2
213.14848	9.5
223.13179	3.3
227.12819	11.1
445.79907	4.0
452.58719	3.3
470.32693	4.4
470.38354	8.8
474.20016	3.5
488.21686	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02390	0.5
52.20788	0.1
53.03936	0.4
55.01866	0.3
63.02357	0.2
64.29089	0.1
65.03918	0.4
67.05492	0.4
69.68042	0.3
75.04472	0.8
77.03913	1.9
77.04351	0.1
78.04700	0.4
79.05485	4.2
80.06257	0.2
81.03378	0.2
81.07047	0.2
86.12112	0.1
89.03926	0.2
90.04690	0.2
91.04926	0.2
91.05472	3.2
91.06054	0.2
92.06246	0.2
93.07037	0.6
95.04959	3.3
95.08607	0.3
98.22736	0.2
103.05458	1.4
105.03384	1.7
105.04485	1.2
105.05532	0.2
105.07021	1.9
105.07705	0.1
106.04171	0.6
107.04940	1.5
108.05733	0.6
109.06509	1.0
110.07258	0.2
115.05450	1.7
116.06259	0.2
117.07024	1.5
117.11510	0.1
118.04096	0.1
119.04953	0.7
120.05711	0.6
121.02839	0.3
121.06493	2.8
122.07280	0.3
123.04408	0.9
123.08054	1.0
125.05936	0.2
128.06201	2.3
128.07062	0.2
129.06992	3.1
131.04910	2.7
131.08525	0.3
132.05647	0.2
133.06480	4.6
133.07498	0.2
134.03609	0.1
134.07199	0.2
135.04401	100.0
136.05234	3.0
137.05959	3.9
137.09540	0.1
138.06749	1.6
139.07504	0.5
141.06955	0.4
142.07765	0.1
143.04913	1.0
143.08545	3.5
144.05685	0.3
145.06462	3.4
145.10104	0.1
146.07233	0.4
147.04381	0.3
147.08018	1.6
148.05170	9.6
149.05972	3.3
150.06721	1.1
151.03908	1.9
151.07526	6.6
152.08318	0.7
153.05472	0.3
153.06978	0.2
153.09087	0.5
154.04984	0.1
154.06233	0.3
155.06017	0.4
156.05695	0.4
157.06474	3.6
158.07260	0.5
159.04419	0.4
159.08064	1.6
160.05183	0.5
160.08749	0.1
161.05959	4.7
161.07323	0.2
162.06784	0.6
163.07526	5.4
164.08316	0.5
165.05467	2.1
165.09096	2.4
166.06242	13.6
167.07033	1.3
168.07806	1.0
169.06516	0.2
169.08598	0.4
170.07205	0.1
171.08034	4.4
172.05162	0.7
172.08789	0.4
173.05977	4.5
173.09578	0.8
174.06750	0.8
175.07532	2.8
176.08295	3.2
177.05476	0.8
177.09079	2.7
178.09804	0.2
179.07042	1.0
180.06163	0.2
180.07794	3.4
181.08572	70.1
182.08920	1.2
183.07950	0.1
183.10152	0.7
185.05962	2.0
185.09564	0.2
186.06737	2.6
187.07523	10.3
188.08305	1.9
189.05418	0.2
189.09076	3.0
190.09850	1.8
191.07030	1.2
192.07814	0.6
193.08571	2.3
194.09399	0.3
195.10139	7.7
199.07504	0.6
200.08282	0.3
201.09087	11.8
202.09846	3.7
203.06990	1.9
203.10591	0.9
204.07794	0.7
205.08559	1.0
206.09273	0.7
207.10141	9.1
208.10530	0.1
209.11729	0.5
214.09882	0.2
215.10622	0.2
216.08026	0.1
216.11440	3.7
217.08623	1.1
217.12013	0.3
218.09326	1.6
219.10121	2.6
221.11665	1.5
231.08203	0.1
231.10136	0.8
232.08841	0.2
232.10954	0.8
233.11696	7.9
235.13277	0.2
245.11850	0.2
247.11301	0.3
247.13271	8.7
249.09167	0.2
262.09824	0.2
263.10565	0.2
275.10699	0.3
276.11694	0.1
277.08890	0.2
277.12216	0.5
278.09448	0.1
279.10107	0.1
279.13708	0.1
291.10211	0.2
293.11578	0.3
305.11728	0.2
306.12518	0.2
307.09830	0.2
307.13065	0.8
308.14072	1.0
309.14835	0.4
310.15329	0.1
320.13989	0.2
323.12720	0.4
324.13577	0.2
326.15060	0.2
337.14276	1.5
338.15054	4.7
339.12418	0.2
339.15857	3.0
341.17401	0.3
351.15820	1.0
354.14575	11.1
355.14905	0.4
367.15317	0.5
369.16922	26.1
370.17346	0.9
387.17923	1.9
411.17844	0.2
417.95755	0.1
460.11215	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05088	0.3
66.59816	0.4
67.05505	0.3
70.06620	0.4
79.05489	1.8
81.07034	0.6
91.05476	1.1
93.07034	0.6
95.04958	0.6
103.05458	0.7
105.07034	0.8
107.04952	3.1
115.05459	1.3
117.06977	0.5
121.06507	1.4
122.03622	0.3
123.04454	0.9
124.05222	0.6
128.06239	0.9
129.06996	3.0
131.04935	1.4
131.08559	1.1
133.06470	0.5
135.04420	2.4
137.05981	1.3
141.06981	10.6
143.08556	1.1
145.06474	1.0
145.09903	0.3
149.05974	3.7
151.07570	0.5
155.05968	0.3
157.06490	3.5
159.08086	1.7
161.05978	2.2
167.07033	9.1
169.06490	6.5
171.08051	0.5
173.06018	2.4
179.07022	0.7
181.08562	2.6
185.05981	3.4
187.07533	8.3
193.08592	2.2
199.07541	57.3
200.07877	1.2
203.08592	1.7
203.10313	0.3
205.08623	0.6
211.07549	1.2
213.08940	0.4
217.08600	12.8
218.09048	0.5
225.58130	0.3
229.08578	1.2
231.08043	1.2
259.09650	100.0
260.10190	1.7
261.09085	1.4
278.09341	0.9
283.67276	0.3
289.08618	2.3
293.11752	1.4
306.08969	0.5
321.11279	3.2
323.08997	0.4
323.33688	0.4
325.10745	0.3
353.13828	7.1
496.28378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39366	0.7
53.03936	1.5
53.75089	0.8
55.01860	2.5
55.27519	0.7
57.03432	2.0
60.04509	3.0
67.05485	1.1
68.05029	5.7
69.03424	9.0
69.17374	4.3
70.06579	1.0
71.04990	2.0
73.02911	1.4
79.05501	1.2
80.05009	2.4
81.03423	6.7
85.02901	15.2
87.00829	6.4
89.03915	1.7
91.03941	0.9
91.05478	2.1
93.07030	3.0
95.04942	1.0
95.08588	1.2
96.08132	1.7
97.02885	5.4
97.06493	0.9
98.06049	7.6
99.04465	4.0
105.01850	4.4
105.07023	3.0
107.08573	2.6
108.08103	1.9
109.02872	6.0
109.06507	11.0
109.10139	3.1
110.09682	2.9
111.08109	0.9
115.05454	0.8
116.04962	5.9
116.07091	7.3
119.08584	4.1
120.04471	0.8
120.08099	2.0
121.10140	12.8
122.06017	5.9
123.08078	5.9
123.11729	1.0
124.07599	2.0
127.03913	12.4
131.08556	1.7
133.10184	0.8
134.08128	22.4
135.11722	1.4
136.07564	5.6
137.02892	0.7
137.05951	2.2
137.09604	3.7
138.09151	3.9
139.49423	0.7
144.04443	19.2
145.04932	3.8
145.10161	2.3
146.06006	4.1
147.11693	5.5
148.03864	1.0
148.07544	2.0
149.09595	5.5
151.07533	1.6
159.02878	3.2
161.05988	1.2
161.13251	11.2
162.05484	7.4
163.11142	1.3
165.12744	1.3
166.08624	6.1
172.03926	100.0
173.04257	2.1
174.05487	2.5
176.07076	1.7
177.05481	0.7
178.71925	0.7
179.14317	2.7
189.12758	8.9
190.04990	12.2
201.05412	1.0
201.26668	0.8
203.07001	0.9
204.06554	99.9
205.06903	2.8
207.06607	0.7
207.13805	13.7
217.04991	0.9
225.14906	3.4
231.05013	2.2
245.04431	1.1
251.11783	1.1
275.07056	1.8
279.11237	1.6
293.11371	1.0
305.11349	13.9
307.09970	2.1
325.11734	3.2
328.35355	0.8
339.13547	1.0
357.14426	16.2
358.14764	1.5
395.67801	0.9
429.16379	1.5
440.18109	3.3
458.19199	51.1
459.19461	1.7
490.21698	3.5
491.16443	5.0
491.30484	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
55.05519	4.9
57.03426	3.4
65.03946	5.0
65.14110	2.7
67.05505	26.5
68.05037	6.6
69.03424	12.9
70.06594	5.2
71.46495	2.4
72.08161	6.8
79.05491	3.9
81.03412	8.8
81.07058	4.1
81.73138	2.6
85.02898	13.2
85.06541	12.3
87.00863	6.2
89.06039	6.2
91.05478	21.4
93.07042	11.6
95.04924	3.3
95.08607	86.2
97.02918	6.8
98.06062	8.8
98.97588	5.5
99.04474	4.2
103.05481	5.4
105.01885	8.5
105.07044	7.8
107.08591	10.6
109.06528	5.6
109.10149	13.2
113.06020	12.6
116.07137	6.3
118.08683	3.7
119.04939	12.2
119.08604	14.9
121.06503	4.5
121.10152	6.0
123.08082	27.5
127.03902	9.7
131.04974	4.0
133.06514	6.3
134.07123	6.6
134.08118	70.0
135.06508	4.1
135.11668	13.3
137.05986	32.0
137.09613	9.6
145.02858	6.1
145.04971	5.7
147.04422	17.5
147.08064	3.6
147.11679	5.4
149.06009	7.7
149.09636	28.0
150.06767	9.0
151.07545	5.4
161.06000	10.7
161.13258	13.7
162.06763	25.5
163.11195	7.2
165.12764	5.7
172.50232	3.1
175.07474	5.8
177.05478	21.1
179.07036	8.4
179.14355	3.7
189.12769	14.1
189.19756	3.0
203.07022	7.6
207.11800	4.8
207.13800	100.0
225.14763	4.3
229.14302	16.4
231.04860	4.2
267.12766	3.1
307.09778	8.5
327.12323	8.7
339.12125	3.0
388.40378	2.9
445.05548	2.9
490.20923	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
55.01871	1.9
55.05506	4.1
57.03434	3.3
61.02921	2.0
67.05498	3.4
68.99776	1.3
69.03425	6.4
69.07063	2.9
70.06602	1.1
71.05009	2.7
73.02907	2.4
78.63932	1.1
79.05495	2.1
81.03421	8.4
81.07061	7.5
83.04980	7.0
83.05421	1.1
85.02915	32.0
87.00838	8.4
91.05499	2.1
93.07031	5.4
95.04984	2.3
95.08605	2.3
97.02893	10.2
97.06519	2.2
99.04464	3.8
105.01889	8.2
105.07039	5.2
107.08601	7.3
109.02873	9.1
109.06522	11.9
109.10147	4.1
110.40886	1.1
111.08086	4.4
116.07113	1.1
119.08591	8.9
120.94743	1.1
121.06548	1.1
121.10159	14.1
123.08061	5.0
123.11715	16.7
127.03933	12.1
129.01865	1.4
133.10135	2.3
135.08067	1.7
137.06041	2.0
137.09619	24.3
137.13284	2.1
145.02840	1.2
145.04962	4.8
145.10150	2.3
147.08058	3.0
147.11693	13.0
149.09561	5.5
151.07558	2.4
159.02927	3.0
161.09607	2.0
161.13254	5.8
163.11176	2.7
165.12767	100.0
166.13095	2.1
171.11697	2.9
174.10458	3.0
177.05533	2.4
179.14355	6.7
189.12764	16.4
207.13823	59.3
208.14262	1.5
213.04008	1.6
225.14915	2.0
231.04941	3.3
242.59406	1.1
287.05573	5.8
310.55612	1.2
380.19095	1.1
427.38016	1.3
490.34195	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.9
57.07059	3.6
67.05505	20.4
69.03437	9.0
69.39124	10.7
81.07066	11.4
83.08634	3.9
85.02461	5.1
85.02911	46.6
86.09702	3.0
87.00816	5.8
91.05491	13.6
95.05000	4.4
95.08611	10.8
97.02891	6.6
105.01840	6.8
105.07045	34.2
107.08607	10.6
109.02887	5.4
109.06513	22.0
109.10165	23.5
117.07062	3.5
119.08600	31.3
121.10159	11.8
123.08063	13.2
123.11703	49.8
127.03941	12.0
130.07767	2.9
131.08537	4.1
133.06505	4.0
134.08136	5.2
136.81479	3.1
145.10201	14.7
147.08162	3.5
147.11687	74.5
148.10333	2.8
149.09612	8.1
151.07581	4.8
155.10603	3.0
163.11200	3.5
165.12730	3.6
173.11748	9.6
189.12743	100.0
207.13803	99.1
207.15807	3.8
225.14836	32.1
229.14319	31.7
231.05054	5.5
491.15805	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01858	4.9
55.05504	2.9
56.46389	1.7
57.03421	5.1
57.07067	2.2
59.05009	2.9
61.02918	2.8
67.05500	4.8
67.46209	1.4
69.03422	22.5
69.07059	5.7
69.44506	7.0
70.06573	2.8
71.04989	2.6
73.02912	4.7
75.94273	1.7
79.05482	5.4
81.03415	13.3
81.07053	19.8
83.01297	1.7
83.04975	2.7
83.08624	1.9
84.08150	3.1
85.02902	41.7
85.06554	4.5
87.00828	16.7
87.04469	3.6
91.05470	6.9
93.07037	5.7
95.04953	4.7
95.08575	9.0
97.02888	16.6
97.06518	4.9
98.23528	2.9
99.04467	7.9
105.01855	14.7
105.07016	17.1
107.08586	32.9
109.02866	16.6
109.06511	39.6
109.10138	4.3
111.11707	1.9
117.07009	2.2
119.04922	1.9
119.08581	14.3
121.10156	15.8
123.08063	36.3
123.11665	5.4
125.09620	6.9
127.03902	28.2
131.08549	7.3
133.06444	3.2
133.10156	3.0
135.08025	2.8
135.11708	3.0
137.05946	4.1
137.09595	5.4
137.13264	4.1
139.11188	4.0
142.90532	1.8
145.04907	8.8
145.10117	9.7
147.08038	4.0
147.11685	26.5
149.09601	35.8
151.07535	31.9
156.09341	4.8
159.02869	4.9
161.09657	2.1
161.13237	3.4
163.11139	8.1
165.09084	2.6
165.12735	25.9
167.10649	11.2
171.11688	9.9
175.94060	1.5
177.05493	3.7
179.14302	16.8
179.83934	1.7
183.13809	6.5
189.12721	34.6
191.93886	1.6
194.03615	1.8
207.13789	100.0
225.14836	43.7
231.04984	7.1
240.16113	2.0
249.05850	1.9
282.20596	3.4
310.27365	5.3
328.28345	3.9
444.25818	5.1
472.32364	4.4
490.21967	4.0
490.28027	2.1
490.33929	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01871	3.3
55.05503	1.6
57.03442	3.2
61.02935	1.4
61.45243	0.6
67.05502	1.8
67.49472	0.6
68.99809	0.6
69.03429	10.4
69.07068	1.6
70.06580	1.3
71.04986	7.4
72.08145	0.7
73.02904	2.4
77.61891	0.6
79.05473	2.1
81.03416	9.0
81.07058	1.3
83.04981	4.2
84.08121	0.9
85.02902	27.5
86.09712	1.1
87.00823	10.7
91.03955	0.6
91.05481	2.3
93.07033	2.6
94.76167	0.6
95.04949	1.9
95.08602	3.8
97.02887	12.4
97.06528	2.3
99.04438	3.9
99.08041	1.0
105.01871	12.0
105.07002	3.1
107.08602	1.9
109.02881	8.7
109.06529	4.2
109.10142	0.9
111.04419	2.3
113.05915	0.6
114.09180	1.1
117.01875	0.7
119.08556	3.3
120.57723	0.6
121.06477	1.9
121.10155	5.4
123.08065	100.0
124.08386	1.8
125.05972	2.5
125.09662	1.3
127.03910	18.5
129.01849	0.7
129.05473	1.9
131.08600	1.0
133.10167	2.5
135.08051	1.5
135.11691	0.7
137.05948	1.8
137.09590	1.6
145.04962	8.2
145.10153	1.1
147.02864	0.8
147.06609	0.7
147.08018	1.3
147.11707	3.0
149.09621	7.2
151.07526	2.6
151.11174	6.0
153.09134	0.9
159.02861	4.1
161.13312	1.1
163.11160	2.8
165.12749	1.8
167.10669	2.7
171.11711	0.9
177.03809	0.7
181.12202	9.1
182.10870	0.6
182.12517	0.7
189.12680	2.9
205.12102	0.9
207.13800	14.1
213.03967	1.0
225.14838	43.7
226.15231	1.5
231.04965	3.3
233.02734	0.8
249.06026	0.7
286.16559	1.0
410.25027	1.2
437.18176	1.0
455.18756	0.8
473.19968	1.2
490.23563	2.1
490.33533	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01883	2.3
55.05511	15.5
56.43167	0.9
57.03441	1.1
59.05022	0.9
67.05504	11.8
69.03429	3.5
69.07063	7.2
71.05014	0.9
71.46417	1.0
79.05491	14.5
81.03416	2.4
81.07059	12.5
83.04984	1.3
83.08617	7.7
83.86500	0.8
85.02893	4.9
85.06528	1.2
86.24960	1.0
86.67507	0.9
87.04462	9.5
88.19975	0.9
91.05468	10.4
93.07047	9.9
95.04960	2.0
95.08609	7.5
97.02905	1.9
97.06523	2.6
97.10168	15.4
99.08102	1.9
105.07029	13.4
107.04918	1.3
107.07449	1.6
107.08591	29.1
109.02909	1.5
109.10149	6.1
109.76802	1.0
110.50246	1.0
117.07014	2.3
118.06548	4.6
119.08602	7.1
120.08128	1.5
121.06485	1.2
121.10151	6.0
123.11686	1.2
125.09622	10.8
127.03955	1.6
127.69637	0.9
129.07083	1.2
130.06586	2.1
131.07304	1.2
131.08588	4.5
132.08109	3.4
133.10110	7.7
135.08064	1.8
135.11708	2.7
137.09662	1.0
138.12790	3.7
143.08594	1.3
144.08047	1.5
145.10139	5.6
146.09680	3.6
147.11705	3.7
149.09688	3.9
153.09047	1.3
159.11693	2.6
161.13226	2.0
163.11255	1.5
165.09181	1.4
167.49245	1.1
169.10095	1.4
171.10138	1.7
171.11649	1.5
173.11844	1.9
173.13252	1.6
179.14331	1.0
189.11224	19.5
189.12831	1.5
197.13255	1.1
211.13348	1.1
229.19640	1.1
232.13231	1.3
239.17973	1.0
257.18930	4.6
275.20081	38.1
293.21158	3.1
318.24313	4.6
340.26260	2.2
368.25851	12.2
386.26944	19.6
386.31940	1.1
387.27219	1.5
404.27881	11.9
490.31628	100.0
491.31934	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48682	1.9
52.24585	1.8
53.03953	2.0
55.01871	7.9
55.05511	17.0
56.05037	3.4
57.03444	3.9
59.05013	1.9
65.88816	1.8
67.05506	34.5
69.03430	9.0
69.07067	36.5
70.29739	4.4
71.04993	4.0
79.05494	26.8
81.03412	4.3
81.07056	36.8
83.04980	4.5
83.08601	12.3
85.02898	11.1
85.06566	3.4
87.04475	9.0
91.05482	29.3
93.07041	27.6
95.04991	7.2
95.08607	26.9
97.02872	4.7
97.06532	12.0
97.10175	9.7
105.07039	31.4
107.04958	10.0
107.07350	2.2
107.08595	27.6
109.06531	4.6
109.10169	14.2
111.08065	2.9
113.09680	2.3
117.07008	8.0
118.06584	2.7
119.08587	20.9
121.06487	2.1
121.10178	13.4
123.11685	2.9
125.09621	9.7
127.03954	6.9
129.07022	3.1
131.08549	13.2
133.10164	19.9
135.08032	2.9
135.11708	8.7
137.09633	3.6
139.11206	3.1
143.08597	2.7
145.04942	3.4
145.10138	12.7
146.09602	2.9
147.08144	2.2
147.11717	12.3
149.02335	7.1
149.09625	25.7
149.13277	4.5
151.11191	2.5
157.10123	3.8
159.11726	10.7
161.13271	10.2
163.11205	10.9
165.09073	3.1
169.10223	2.4
171.11749	2.8
173.09875	1.9
173.11751	8.4
173.13263	5.3
177.12727	2.6
179.14252	6.7
183.11774	2.0
189.11195	12.3
193.05022	6.7
193.12283	2.6
194.15413	2.9
197.13289	4.0
211.13354	3.0
212.16451	16.5
215.17964	2.0
220.09271	2.2
223.13255	2.7
229.19408	2.9
237.07567	3.5
239.18044	4.4
247.20403	2.1
257.18951	11.1
265.21811	2.5
270.26727	2.0
275.20078	100.0
276.20389	3.9
292.22635	4.9
293.21152	20.8
310.23807	7.7
350.48260	1.9
368.25790	7.9
386.26633	13.6
404.27945	6.4
473.14581	2.3
490.16278	2.2
490.30948	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68064	2.8
54.89013	2.9
55.01898	4.5
55.05514	25.7
57.03431	5.6
57.58214	3.1
61.02933	3.7
67.05514	58.6
69.03422	8.5
69.07066	22.0
73.06551	3.3
79.05500	45.4
81.03426	7.7
81.07061	88.4
83.04969	8.7
83.08622	10.3
85.02912	16.5
85.06568	5.1
86.06063	3.6
91.05477	36.4
93.07045	43.9
95.04990	12.5
95.08609	31.7
97.02898	5.3
97.06532	10.7
97.10175	5.6
105.07027	32.4
107.04990	4.3
107.08585	25.1
109.06506	14.5
109.10161	11.7
117.07026	13.0
117.89738	3.0
119.08577	30.5
121.10148	12.8
123.08096	7.2
123.11690	4.5
125.09662	6.2
129.06978	3.7
131.08583	15.0
133.10126	28.8
135.08066	6.4
135.11694	19.2
137.09567	6.4
145.04994	4.2
145.10138	11.0
147.08035	3.8
147.11664	16.6
149.09641	6.9
149.13271	15.8
151.07632	3.9
151.11201	3.5
157.10080	4.6
159.08075	3.8
159.11763	15.0
163.11171	8.5
165.12686	3.7
173.11899	4.0
173.13380	6.2
177.12721	6.2
181.12253	28.3
193.12318	4.9
195.13837	43.5
199.13326	4.9
213.14796	16.6
223.13448	3.4
235.16937	6.6
239.18019	4.5
257.19086	7.5
275.20090	100.0
286.66702	3.2
293.21112	36.2
298.42078	3.3
341.60669	3.6
478.54761	3.7
490.20956	7.2
490.31683	10.4
491.22272	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
59.46932	0.2
65.50072	0.2
67.05501	0.4
69.07072	0.3
69.30100	1.1
69.45293	0.2
79.05505	0.4
79.63867	0.2
80.89684	0.2
81.07048	0.7
83.08620	0.3
85.45251	0.2
86.06071	0.2
87.04465	10.5
91.05472	0.3
93.07051	0.2
95.08598	0.4
105.07018	0.2
106.06543	0.4
107.07326	0.9
107.08603	0.4
116.10741	0.5
117.05726	0.5
118.06536	5.0
120.08101	0.8
130.06488	1.3
131.07330	1.3
131.08458	0.2
132.08083	2.8
133.08836	0.8
141.07018	0.2
144.08076	1.2
145.08887	0.5
146.09644	3.9
158.09669	0.7
160.11237	0.8
169.77390	0.2
172.11235	0.5
177.87251	0.3
186.12778	0.3
188.14383	0.4
200.14310	0.4
202.15912	0.5
204.10156	0.7
216.17471	0.4
218.11800	0.6
228.17476	1.0
230.15375	0.4
232.13318	0.6
242.15497	0.3
256.17047	1.0
258.18527	0.4
260.16647	0.3
272.16635	0.3
274.18033	0.2
275.19913	0.2
312.26926	0.5
324.26938	1.1
328.24844	1.0
340.26389	2.8
358.27353	0.7
368.25824	12.4
369.26456	0.3
386.26874	18.6
387.27264	0.7
404.27948	11.5
405.28372	0.4
408.54346	0.2
472.30621	0.7
490.31604	100.0
491.22388	0.8
491.31915	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.05033	0.4
62.15648	0.3
63.42027	0.3
66.97256	0.3
67.05473	0.3
69.03413	0.5
69.07070	0.4
70.06579	1.8
72.08153	1.3
79.05487	0.4
81.07049	0.5
85.02892	0.8
86.09697	0.5
89.76814	0.3
91.05479	0.8
93.07038	0.4
95.04976	0.4
95.08569	0.5
97.02918	0.5
97.06548	0.6
98.06061	0.4
100.11251	0.9
105.07030	1.1
107.08598	1.0
109.06522	0.5
116.07134	0.4
116.79253	0.3
119.04940	0.7
119.08557	0.9
120.08105	0.9
120.08884	0.5
121.06516	0.5
121.10130	0.5
127.03880	0.4
131.04909	0.3
131.08591	0.7
133.10117	1.4
134.08131	1.6
135.04402	0.5
137.05959	0.8
137.09657	0.3
138.06409	0.4
145.10147	0.4
147.04440	0.8
147.11641	0.7
148.11998	0.5
149.02258	0.3
149.05984	0.4
151.03754	0.4
151.07579	0.8
154.12277	0.3
161.06007	1.0
167.07028	0.5
168.21558	0.3
177.05447	0.3
189.12761	0.5
190.13095	0.7
191.14348	1.1
207.06555	0.8
207.13818	1.0
208.14163	0.9
209.11800	0.3
209.15375	0.6
301.36118	0.3
329.06531	1.5
329.10184	0.6
329.15671	2.3
429.20944	10.7
430.21164	0.6
431.18796	2.4
473.20035	1.2
491.20963	100.0
491.31085	6.1
492.21277	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18776	0.5
51.00473	0.5
53.03940	0.8
54.04519	0.6
55.05511	3.8
57.03440	3.1
57.07064	1.0
60.86105	0.5
62.98259	17.9
64.02956	0.4
65.03954	0.6
67.05505	10.3
69.07067	4.1
69.58808	2.4
71.08631	0.6
74.66420	0.5
79.05498	3.8
81.07052	11.0
83.04932	0.6
83.08623	3.2
91.05471	3.1
93.07047	3.8
95.08608	9.6
96.38727	0.5
97.06541	0.8
97.10175	1.6
98.98466	13.8
99.08083	0.4
105.07028	2.0
107.04961	1.4
107.08590	2.3
109.06572	0.6
109.10161	4.0
111.08109	0.5
119.08591	1.5
120.03272	0.5
121.10143	1.8
123.11733	1.5
124.93762	23.9
125.80875	0.5
133.10107	1.7
135.04308	0.6
136.05231	0.9
136.99998	0.9
137.13237	0.8
147.11659	0.9
151.07536	11.0
155.01035	14.8
156.96378	29.1
163.14798	0.6
165.09106	0.8
176.50368	0.5
177.09140	0.7
180.96423	0.6
203.10683	0.8
211.03864	0.5
212.98991	2.6
217.12160	1.2
222.55513	0.6
229.04726	1.2
245.22626	1.7
263.21124	0.4
263.23663	2.9
323.19699	0.9
337.27341	23.2
340.16742	1.1
355.19055	2.2
459.18823	30.4
460.19183	1.3
473.26544	3.9
473.32495	1.1
491.21445	100.0
492.21677	5.2
512.79846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2277
Annotation	CHEBI:70374
Peak:m/z	Relative Intensity
53.03956	0.5
55.01888	0.2
55.05537	0.3
65.03943	0.7
66.04743	0.4
67.05508	0.3
71.21738	0.2
75.04482	0.3
77.03919	0.5
78.04702	2.9
79.05492	2.8
80.06281	0.8
81.07074	0.7
90.04720	0.7
91.05477	4.5
93.03413	0.3
93.07081	1.1
94.04204	1.3
95.04967	1.4
95.08585	0.4
101.67516	0.2
103.05474	2.9
105.03401	1.0
105.04498	0.4
105.07017	2.2
106.04169	2.5
107.04954	9.0
108.05750	3.2
109.06509	1.3
112.55740	0.2
115.05466	1.4
116.06211	0.4
117.07007	1.5
118.04173	0.6
119.04953	1.0
119.06011	0.3
119.08554	0.3
121.06508	4.2
122.03646	2.4
123.04432	4.5
123.08071	1.6
124.05210	2.0
125.05991	0.3
128.06215	0.9
129.06998	1.2
130.07793	0.3
131.04924	2.7
131.08568	0.6
132.05658	0.4
133.06487	3.2
134.03629	1.6
134.07277	0.4
135.04436	2.9
135.08051	2.3
136.05196	6.5
137.05975	30.7
138.06578	0.4
139.07507	1.4
139.53168	0.3
141.06996	0.8
143.04922	0.7
143.08571	1.5
144.05682	1.0
145.06488	2.4
146.07263	3.1
147.04398	0.7
147.08044	2.8
148.05196	2.4
149.06017	1.1
150.06757	4.0
151.03923	1.5
151.07536	100.0
152.04680	3.1
152.07848	1.8
153.05397	0.7
153.09183	0.3
155.06056	0.4
157.06493	2.0
158.07240	3.1
159.04399	0.8
159.08041	2.4
160.05208	0.7
160.08788	0.9
161.05968	1.6
161.09650	0.3
162.06796	0.6
163.07539	16.5
164.08238	0.5
165.05421	0.5
165.09114	13.6
166.06271	5.4
166.09415	0.3
167.07033	55.7
168.07455	1.0
169.06474	0.4
169.08647	0.5
170.07199	0.3
171.08072	2.1
172.05165	0.3
172.08792	1.1
173.06004	2.5
173.09618	2.1
174.06747	2.6
175.07530	5.0
176.08292	1.0
177.09105	19.0
178.09476	0.3
179.07013	0.7
179.10628	0.6
180.07791	0.9
181.08588	21.7
182.08926	0.7
183.10052	0.3
186.06770	1.0
186.10406	0.9
187.07527	5.7
188.08333	4.5
189.09094	9.0
190.09833	0.5
191.06897	0.3
191.10713	1.7
192.07819	0.3
193.08586	2.9
195.10123	1.4
200.08292	0.3
201.09102	9.1
202.09857	3.1
203.06967	0.5
203.10664	8.9
204.07774	0.6
204.11110	0.4
205.08617	1.2
207.10120	2.5
209.08093	0.3
215.10654	0.6
216.11406	1.2
217.08604	0.9
217.12238	4.7
218.09276	0.6
219.10141	3.9
221.11694	0.5
232.08806	0.4
232.10941	0.3
233.09650	0.4
233.11703	8.7
234.12129	0.3
247.11163	0.3
247.13272	2.2
249.09036	0.3
262.19785	0.2
274.59717	0.3
275.10495	0.4
277.12219	0.4
279.13730	0.6
293.11526	0.9
306.12192	0.3
307.13251	1.6
308.13870	1.6
309.11172	0.6
311.16476	0.3
324.13486	0.5
325.14127	0.3
339.15900	10.2
340.16409	1.4
341.17349	0.3
356.16177	8.0
357.16470	0.5
369.16953	0.4
371.18518	29.3
372.18835	1.4
389.19452	1.2
389.24011	0.3
491.22015	0.3
497.57578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03934	1.2
55.01867	0.8
55.05507	16.8
57.03437	12.6
57.07072	4.0
65.03920	2.0
65.50424	0.5
67.05502	47.7
68.05808	0.7
69.03448	0.7
69.06709	1.1
69.07069	18.0
69.20601	0.5
69.74902	2.0
71.04982	1.4
71.08627	1.7
76.80201	0.5
79.05486	13.2
79.26023	0.6
81.03419	0.5
81.07052	51.8
82.07388	1.0
83.04971	1.4
83.08617	11.6
85.06518	1.1
85.10186	1.3
91.05479	11.1
93.07041	14.9
95.04960	1.9
95.08600	41.4
96.08963	0.6
97.06514	2.7
97.10160	5.2
98.98461	72.0
99.08099	1.2
102.15753	0.5
105.04528	0.6
105.07019	7.0
107.08589	8.9
109.06512	0.7
109.10155	16.6
110.10526	0.6
111.08060	2.3
111.11691	0.8
113.09667	0.6
119.08556	6.2
119.13137	0.6
121.10133	8.9
123.08039	0.9
123.11705	7.3
124.93722	0.6
125.09635	1.0
127.11201	0.9
133.10118	5.4
135.11694	5.3
136.05226	1.2
136.99962	4.7
137.09628	1.0
137.13255	2.3
141.48926	0.6
147.11661	4.2
149.13232	3.0
151.07532	9.6
151.11102	1.0
151.14825	2.4
155.01033	66.2
156.96465	0.9
161.13269	4.2
163.14792	3.1
164.85664	0.6
165.09161	1.0
165.16396	1.6
173.02162	0.9
175.14848	2.4
177.09103	0.6
177.16435	1.2
179.17976	0.6
182.33922	0.5
189.16428	1.1
193.02634	1.7
195.24690	0.5
196.03659	0.8
211.03682	4.8
217.12288	0.6
229.04703	7.1
245.22644	8.5
247.05992	0.6
263.23688	12.8
285.34598	0.6
308.26651	0.7
319.26215	2.0
337.27347	100.0
338.27634	4.4
340.16519	1.2
355.19077	2.1
473.26624	18.9
474.26862	0.7
491.21457	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.08449	0.9
55.01852	1.2
55.05511	16.5
57.03434	14.1
57.07061	4.3
62.98262	0.9
65.03927	2.1
67.05502	58.9
69.06694	1.9
69.07058	18.5
69.86298	3.1
71.04996	1.5
71.08616	1.5
77.03922	1.1
79.05494	16.1
81.07052	54.8
82.07370	1.1
83.04944	1.2
83.08620	13.4
85.06519	1.6
87.43980	0.9
91.05470	13.3
93.07045	17.8
95.04957	2.6
95.08601	50.1
96.08971	1.3
97.06509	3.8
97.10164	5.9
98.98464	70.1
99.08096	1.5
105.07021	7.7
107.04940	1.4
107.08591	9.7
108.76743	0.9
109.06544	1.4
109.10141	19.9
111.08043	3.0
111.11743	1.6
119.03395	1.8
119.08571	7.1
121.10129	10.9
123.11701	7.9
133.10135	7.1
135.11682	3.9
136.05215	1.9
136.99968	5.4
137.09573	2.1
137.13246	4.1
140.00980	1.1
146.11984	1.1
147.11691	4.1
149.13232	3.1
151.07533	30.7
151.14828	2.3
155.01028	73.8
156.96326	1.8
161.13249	4.2
163.14767	3.3
165.09122	2.9
165.12785	1.2
165.16362	1.7
167.07011	1.7
175.14806	3.2
177.09048	1.3
189.09018	1.4
189.16254	1.7
191.10640	1.2
193.02670	1.2
203.10632	1.7
211.03577	5.9
217.12227	4.0
229.04662	7.6
237.08025	1.0
245.22644	8.4
263.23642	14.0
319.26434	2.5
337.27341	100.0
338.27567	4.5
340.16635	3.7
355.18958	6.4
382.26627	2.1
473.26584	21.8
491.21149	3.9
492.33972	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55080	0.5
53.03955	0.6
60.72442	0.5
65.03949	0.9
67.05502	0.9
69.68705	1.9
77.03923	0.9
78.04719	3.0
79.05071	0.7
79.05491	6.0
79.18199	0.5
80.05827	1.3
80.06268	0.9
81.07050	0.6
91.05482	5.5
92.05819	2.4
93.07056	1.1
95.04983	1.6
103.05471	6.6
104.05790	2.9
105.03403	0.7
105.04517	0.7
105.07045	2.3
106.04168	2.3
106.07375	1.1
107.04973	14.9
108.05270	4.1
108.05804	2.6
110.03697	0.8
110.06894	0.6
115.05448	2.4
116.05694	0.7
117.07006	1.6
118.07374	0.7
119.04986	1.5
120.05750	0.5
121.06509	4.9
122.03671	0.6
122.06811	1.0
123.04463	4.2
123.08071	1.6
124.04807	0.9
124.05243	1.1
124.08417	1.0
125.05422	0.6
128.06261	0.8
129.06999	1.7
130.07306	0.6
131.04936	9.4
132.05264	4.7
132.08885	0.8
133.06522	1.2
135.04428	3.1
135.08018	1.9
136.05222	5.4
136.08365	0.8
137.06029	7.7
138.03098	2.4
138.06273	3.2
141.07031	1.1
143.04906	1.5
143.08571	0.7
144.05688	1.2
144.08917	0.6
145.06548	4.3
146.07301	5.2
147.04424	1.3
147.07625	3.0
148.08406	1.4
149.05974	2.2
150.06776	6.2
151.07549	100.0
152.04665	2.1
152.07881	49.0
153.05476	18.5
153.08141	0.7
157.06494	2.4
158.07243	4.5
159.07703	3.3
160.08472	0.8
161.05971	2.0
162.06564	1.2
163.07545	21.4
163.08881	1.2
164.07896	12.8
165.05496	0.9
165.09125	22.4
166.09456	9.7
167.07040	60.3
168.07384	30.0
169.06496	0.9
170.06992	0.6
171.08076	2.6
172.05292	1.1
172.08821	2.6
173.06017	3.5
173.09488	2.0
174.06757	4.2
174.10132	1.2
175.07376	3.2
176.07961	2.3
177.09113	28.5
178.09451	17.4
179.07005	2.5
180.10945	0.6
181.08636	1.4
182.09015	1.0
183.08005	0.7
184.08818	2.7
185.06000	1.2
186.06773	1.0
186.10429	1.4
187.07541	4.4
187.10841	1.4
188.08267	7.7
189.09090	14.0
190.09454	6.9
191.07060	0.7
191.10686	1.0
192.10971	1.0
193.08601	1.3
194.08951	1.4
200.08359	2.6
201.09097	13.5
202.09492	9.0
203.10643	7.5
204.10980	3.3
205.12253	0.8
215.10681	11.3
216.11122	1.5
217.08702	0.8
217.12270	6.2
218.09236	0.7
218.12593	6.7
219.08105	0.7
219.10117	2.4
220.10495	1.8
231.08005	0.7
233.09566	1.0
233.11732	9.3
234.09950	1.0
234.12112	5.8
246.10072	0.7
247.10945	0.6
248.11705	1.1
249.12241	1.1
260.08368	0.6
261.08957	0.6
263.10614	1.2
264.11313	1.1
266.12402	0.5
275.12827	24.4
276.11047	1.5
277.08597	0.9
277.12009	1.1
279.09900	0.6
279.14001	0.7
280.14273	1.5
283.09680	0.5
290.12766	0.7
291.10040	0.6
292.10776	1.0
293.11478	0.7
294.08902	0.5
294.12021	1.0
295.13196	0.8
305.11771	1.2
307.10040	0.6
307.13168	2.6
308.13651	6.4
309.11240	0.9
309.14456	3.1
312.16794	0.5
320.25623	0.6
323.12753	1.0
324.13510	0.7
325.13940	1.3
337.14349	1.0
339.15829	5.6
340.16269	21.3
355.15436	4.6
356.16086	0.7
357.16431	2.6
371.18521	1.7
372.18866	8.8
390.20169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
55.05513	1.0
60.04520	4.0
63.30790	0.7
65.03946	3.2
66.04708	0.8
68.05025	5.3
69.03432	6.3
70.06596	2.0
71.05004	1.0
72.08154	0.9
79.05482	5.5
80.05021	1.1
81.03417	1.4
81.07072	1.8
85.02904	3.6
91.05477	55.3
92.05810	1.2
93.07039	5.4
94.04182	2.5
95.04962	4.7
97.02887	1.7
98.06052	10.2
99.04462	1.1
102.04691	1.0
103.05465	8.7
105.03391	12.7
105.04496	1.1
105.07032	10.8
107.04971	5.1
107.08616	1.9
108.05732	1.6
109.02926	1.6
109.06519	12.1
109.10155	0.9
110.06094	0.7
110.10496	0.9
115.03927	0.9
115.05464	2.0
116.07085	9.8
117.07014	1.5
118.04148	1.6
119.04939	85.3
119.08594	2.2
121.06510	5.8
121.10120	0.7
122.03646	3.5
123.04459	1.3
123.08075	5.7
124.05239	1.0
127.03912	1.8
127.52824	0.7
129.07010	2.2
130.04134	2.1
131.04936	6.1
131.08580	5.4
132.05760	0.8
133.06488	9.3
133.10133	1.2
134.08125	100.0
135.04410	2.0
135.08170	2.7
136.05148	1.4
137.05972	73.4
137.14095	0.8
138.06313	1.0
143.06007	1.0
145.04945	1.0
145.06511	2.6
145.10101	1.3
147.04407	31.8
147.08072	2.1
147.11713	2.9
149.02257	0.8
149.05965	7.2
149.09608	2.8
150.06708	2.2
151.04024	1.4
151.07535	42.0
159.08063	3.2
161.05981	27.2
161.07326	1.2
162.06761	10.9
163.03897	7.2
163.07541	3.0
165.05460	2.8
165.12784	1.4
167.07114	1.0
173.05861	1.0
175.07547	16.1
177.05447	1.1
177.09196	1.1
179.07027	50.9
180.07713	2.7
181.04962	2.3
187.07530	9.9
189.09128	1.3
190.06207	1.5
191.08575	1.7
191.10640	1.6
191.14365	1.9
193.08597	6.3
203.08717	1.0
205.08585	16.5
209.11700	7.5
217.08592	2.0
219.08009	1.9
227.13023	1.0
231.08087	1.6
235.09615	5.4
247.07663	1.6
251.10655	1.4
259.07471	1.2
265.08722	1.3
279.10114	3.8
291.10190	2.7
296.10382	2.2
297.11035	1.4
309.11227	14.1
311.12717	6.8
314.04117	0.9
315.04507	1.6
323.12787	2.6
325.09134	0.8
329.06485	1.9
329.13806	5.1
330.06845	6.5
341.13782	8.5
359.14752	1.4
470.08731	0.8
492.14832	2.1
492.21970	1.4
492.31915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87899	0.9
55.92192	1.0
77.03951	1.3
78.04712	1.2
79.05480	3.7
81.53879	0.9
82.35831	0.8
87.58199	1.0
91.05476	2.8
95.04945	2.7
98.97589	3.7
103.05455	4.9
105.03359	1.5
105.07040	2.4
107.04967	2.7
109.06493	1.1
110.27802	0.9
115.05470	2.1
116.98632	2.7
117.07040	1.3
119.04945	1.9
121.06501	2.6
123.04437	4.0
123.08059	1.3
124.05238	2.0
128.06238	1.7
129.06999	2.6
131.04907	9.0
133.06473	5.9
135.04410	100.0
136.04785	1.3
137.05965	5.9
141.06990	1.8
143.04913	3.0
143.08545	3.0
145.06506	2.8
147.08020	1.1
149.05978	13.5
151.03862	1.1
151.07518	15.3
152.04723	2.3
157.06506	2.8
159.08078	1.3
161.05978	10.1
163.07533	12.6
167.07033	68.2
168.07445	1.1
171.08083	2.4
173.05978	6.4
173.09685	2.0
175.07539	5.3
181.08568	5.4
185.05983	8.5
186.06725	1.4
187.07553	11.9
193.08630	7.3
201.09077	12.9
219.10136	8.9
233.09669	2.2
233.11659	7.7
261.09201	1.9
263.10587	1.3
291.10144	3.9
293.11719	1.0
323.12698	12.6
325.14267	2.8
355.15387	56.2
356.15802	4.2
373.16428	2.7
379.15320	1.0
415.17789	1.1
423.97833	0.9
457.08127	1.9
493.08035	5.6
511.09161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
55.01871	4.5
57.33048	0.9
60.04523	1.1
61.61956	0.9
63.47588	0.9
65.03926	2.8
67.05514	1.0
68.05019	6.5
69.03422	3.7
70.06586	1.0
70.61217	1.3
79.05477	4.4
80.05004	2.6
81.07052	1.5
85.02892	1.6
91.05480	59.0
93.07047	2.3
94.04147	2.4
95.04955	2.6
98.06052	9.3
103.05470	8.1
105.03391	15.4
105.04503	1.3
105.07021	8.1
107.04971	6.7
108.05719	2.2
108.76105	0.9
109.06528	14.2
115.05455	2.4
116.07073	7.7
117.46872	0.9
118.04169	1.8
119.04942	100.0
121.06516	5.4
122.03655	4.1
123.08051	6.4
129.06958	1.1
130.04129	1.2
131.04974	4.2
131.05878	1.5
132.05702	1.2
133.02846	2.1
133.06497	10.8
134.08127	97.5
135.04449	1.0
135.08090	3.2
136.05168	1.8
136.08873	1.4
137.05974	72.3
143.04947	0.9
145.06477	1.8
147.04408	38.0
147.07973	1.7
149.05966	7.0
150.06749	3.6
151.07539	53.2
154.97986	0.9
159.08054	2.3
160.05138	1.1
161.05991	27.7
161.07335	1.6
162.06767	10.8
163.07448	1.5
165.05489	3.5
167.06812	1.2
175.07558	16.2
177.55969	0.9
179.07028	69.7
180.07585	2.2
187.07568	8.9
191.08565	1.1
193.08606	6.6
205.08578	15.4
217.08568	1.7
219.08035	2.3
227.12698	1.0
231.08093	1.5
235.09586	5.1
247.07379	1.4
251.10663	1.6
263.10675	1.2
279.10086	3.4
291.10150	3.8
297.11359	1.3
309.11221	13.3
311.12726	5.5
313.15076	1.0
323.12701	2.8
329.13843	6.6
341.13916	9.4
359.14709	3.0
492.22379	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
63.77578	1.0
67.05519	1.3
69.69011	4.6
77.12475	1.3
79.05492	6.0
81.42719	1.4
91.05482	5.3
94.00252	1.2
95.04993	2.3
99.72642	1.2
103.05443	1.5
105.03397	1.6
105.07058	1.5
107.04951	6.4
108.05785	2.3
115.05452	2.0
121.06511	2.0
122.03619	1.5
124.05200	1.5
129.07011	3.0
131.04924	3.6
135.04405	70.0
136.05154	2.9
137.05972	17.6
138.06311	6.8
139.07565	3.4
141.06969	5.8
146.07185	1.4
147.04388	1.5
149.05936	9.8
150.06667	2.2
151.03966	6.0
151.07533	100.0
152.04611	1.5
152.07895	2.8
153.05479	2.3
157.06464	1.9
158.07027	1.7
159.08153	1.8
161.06024	5.7
163.07552	4.3
165.09102	8.1
166.06311	2.6
166.09302	1.3
167.07047	25.6
169.06490	4.0
171.08150	2.6
173.05998	4.0
174.06554	1.6
175.07567	2.5
177.09128	7.7
181.08601	11.6
182.08922	7.1
184.08800	3.1
185.06021	2.3
187.07605	4.7
188.08293	1.4
189.09135	7.1
191.10468	1.4
193.08595	3.3
199.07530	15.9
200.08023	7.2
201.09323	7.5
203.10599	2.8
215.10715	6.7
217.08621	4.0
217.12160	2.1
218.08841	1.8
233.09517	1.5
233.11755	3.6
250.62260	1.3
259.09644	19.9
260.10077	8.8
261.10284	11.1
275.12653	6.7
291.10388	1.5
306.12558	1.8
320.25977	2.0
323.12668	3.8
337.14304	17.5
340.12857	1.8
340.16705	3.2
341.17154	1.4
355.15317	9.3
356.16229	1.6
357.16510	1.6
359.39743	1.2
372.18790	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01859	5.0
55.05505	5.0
56.49924	1.0
57.03424	5.1
57.07067	1.6
61.02921	2.5
65.03908	1.6
67.05500	4.2
69.03430	18.1
69.07059	6.6
69.15410	6.4
70.36562	1.1
71.04983	4.1
72.08141	1.5
73.02912	2.4
79.05094	1.0
79.05490	6.2
79.12643	1.1
79.27194	1.1
81.03408	12.9
81.07055	10.6
83.04971	6.2
83.08598	2.9
85.02898	38.1
85.06526	1.7
87.00828	18.8
89.34513	1.0
90.48502	1.1
91.03921	1.3
91.05473	13.0
93.07027	9.1
95.04967	12.9
95.08610	6.4
97.02889	20.2
97.06537	6.9
99.04456	8.1
105.01859	14.8
105.07029	17.1
107.04985	1.7
107.08586	65.4
109.02879	11.3
109.06521	14.9
109.10158	10.7
111.08070	2.7
117.01891	2.2
117.07013	1.6
117.63393	1.1
119.04942	2.6
119.08585	9.4
120.08099	1.6
121.10154	20.7
121.25169	1.4
123.08088	6.5
123.11686	4.1
125.09634	2.1
127.03906	27.8
129.01836	2.5
131.08560	13.1
133.10123	100.0
134.08130	3.1
134.10454	1.7
135.08015	3.7
135.11697	9.5
137.05931	5.4
137.09608	3.6
139.11195	3.3
143.08542	2.0
145.04948	11.0
145.10112	4.4
146.24443	1.3
147.04314	1.2
147.11705	7.2
149.06046	1.1
149.09612	1.9
149.13260	13.8
151.07530	3.9
151.11200	2.1
153.09079	5.2
158.10886	4.7
159.02858	6.8
163.14786	11.4
173.13249	34.0
175.14902	1.5
177.05396	1.3
190.13132	1.4
191.14293	78.4
198.54012	1.1
207.13716	1.5
209.07993	1.4
209.15356	16.3
213.03998	1.3
227.16403	4.0
231.04948	5.3
316.45285	1.1
332.52539	1.2
356.89502	1.3
440.73495	1.4
491.32474	1.7
492.21411	2.0
492.32294	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05503	2.8
57.03437	5.4
57.07095	2.3
65.03957	5.6
67.05493	6.9
68.05008	3.4
69.03424	31.5
69.07089	4.3
70.06580	5.8
70.44951	5.0
70.99055	2.9
71.04978	4.2
79.05499	9.9
81.03408	7.1
81.07047	7.1
85.02907	19.2
85.06513	15.8
87.00798	2.7
87.04456	12.7
91.04939	5.3
91.05473	72.9
92.05859	2.7
93.07040	11.8
95.04972	8.1
95.08598	4.5
97.02891	16.9
98.06046	13.5
103.05453	13.2
105.01849	6.6
105.03396	15.7
105.07016	49.1
107.04971	8.7
107.08591	11.3
109.02872	5.3
109.06528	16.7
115.03914	13.5
115.05399	2.4
116.07083	15.8
117.07023	4.8
119.04941	100.0
119.08567	32.9
121.02885	3.1
121.06522	8.3
121.10155	5.7
122.03625	4.2
123.08083	8.3
123.11737	4.4
127.03921	7.0
130.04199	2.6
131.04945	6.2
131.08562	15.5
133.02898	3.2
133.04967	13.2
133.06483	11.2
133.10100	4.5
134.08127	92.3
135.04405	5.6
135.08076	6.7
135.11703	2.8
137.05966	91.6
138.98619	2.6
145.02881	3.1
145.04984	5.1
145.06523	3.0
145.10124	7.5
147.04390	39.8
147.07968	2.8
147.11681	42.7
149.02335	85.1
149.05983	8.6
149.09634	10.0
151.03915	13.3
151.07529	57.8
160.13246	2.5
161.05959	31.7
162.06744	8.2
163.03897	56.4
163.07567	4.5
163.11230	2.8
165.05424	4.3
165.12717	26.3
167.07089	3.3
167.10631	6.0
173.13274	5.5
174.55464	2.5
175.07497	20.9
175.14760	3.0
177.05492	7.5
179.07033	53.3
181.04945	53.5
187.07520	9.8
191.10692	10.9
191.14296	31.8
193.08589	5.5
205.08597	20.3
209.11774	13.2
209.15369	9.8
217.08499	2.8
219.08165	4.5
227.12767	34.2
231.07991	3.3
235.09644	8.0
252.84570	2.3
260.08493	2.4
276.07669	2.3
279.10330	4.1
291.10199	4.2
296.10468	2.5
301.07065	3.8
309.11252	14.9
311.12756	8.0
323.12677	2.4
329.13773	4.1
341.13800	7.6
377.08429	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05503	2.8
57.03437	5.4
57.07095	2.3
65.03957	5.6
67.05493	6.9
68.05008	3.4
69.03424	31.5
69.07089	4.3
70.06580	5.8
70.44951	5.0
70.99055	2.9
71.04978	4.2
79.05499	9.9
81.03408	7.1
81.07047	7.1
85.02907	19.2
85.06513	15.8
87.00798	2.7
87.04456	12.7
91.04939	5.3
91.05473	72.9
92.05859	2.7
93.07040	11.8
95.04972	8.1
95.08598	4.5
97.02891	16.9
98.06046	13.5
103.05453	13.2
105.01849	6.6
105.03396	15.7
105.07016	49.1
107.04971	8.7
107.08591	11.3
109.02872	5.3
109.06528	16.7
115.03914	13.5
115.05399	2.4
116.07083	15.8
117.07023	4.8
119.04941	100.0
119.08567	32.9
121.02885	3.1
121.06522	8.3
121.10155	5.7
122.03625	4.2
123.08083	8.3
123.11737	4.4
127.03921	7.0
130.04199	2.6
131.04945	6.2
131.08562	15.5
133.02898	3.2
133.04967	13.2
133.06483	11.2
133.10100	4.5
134.08127	92.3
135.04405	5.6
135.08076	6.7
135.11703	2.8
137.05966	91.6
138.98619	2.6
145.02881	3.1
145.04984	5.1
145.06523	3.0
145.10124	7.5
147.04390	39.8
147.07968	2.8
147.11681	42.7
149.02335	85.1
149.05983	8.6
149.09634	10.0
151.03915	13.3
151.07529	57.8
160.13246	2.5
161.05959	31.7
162.06744	8.2
163.03897	56.4
163.07567	4.5
163.11230	2.8
165.05424	4.3
165.12717	26.3
167.07089	3.3
167.10631	6.0
173.13274	5.5
174.55464	2.5
175.07497	20.9
175.14760	3.0
177.05492	7.5
179.07033	53.3
181.04945	53.5
187.07520	9.8
191.10692	10.9
191.14296	31.8
193.08589	5.5
205.08597	20.3
209.11774	13.2
209.15369	9.8
217.08499	2.8
219.08165	4.5
227.12767	34.2
231.07991	3.3
235.09644	8.0
252.84570	2.3
260.08493	2.4
276.07669	2.3
279.10330	4.1
291.10199	4.2
296.10468	2.5
301.07065	3.8
309.11252	14.9
311.12756	8.0
323.12677	2.4
329.13773	4.1
341.13800	7.6
377.08429	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32986	0.2
61.19162	0.2
65.03937	0.5
66.04709	0.2
69.20673	0.8
77.24355	0.2
79.05483	0.9
80.06257	0.6
90.04684	1.0
91.05476	3.0
93.07028	0.4
93.12288	0.2
95.04977	0.5
98.22767	0.4
103.05485	0.3
105.03369	0.5
105.07014	0.9
106.04152	0.5
107.04951	5.4
107.08582	0.3
108.05727	3.1
109.06505	0.5
115.05450	0.3
118.04144	0.5
119.08518	0.3
120.05674	0.2
121.06526	1.9
123.08046	0.7
126.60741	0.2
128.06239	0.2
129.06990	0.3
131.04909	0.5
131.08650	0.2
133.06454	1.3
134.43376	0.3
135.04382	2.3
135.08052	1.8
136.05190	9.7
137.05983	2.6
138.06755	0.3
143.04932	0.4
143.08572	0.4
145.06459	0.7
146.07260	0.8
147.08046	2.3
149.06000	0.7
150.06743	2.4
151.07530	100.0
152.07864	2.2
153.09065	0.3
157.06494	0.7
158.07259	0.6
159.07954	1.2
160.08813	0.9
161.06003	0.8
161.09601	0.6
163.07553	1.6
164.08305	1.0
165.09106	9.6
166.09731	0.2
169.06503	0.2
171.08081	0.8
172.08807	1.0
173.06018	0.7
173.09576	0.4
174.06738	0.8
175.07497	1.3
176.08258	0.6
177.09097	5.9
178.09535	0.2
179.10603	1.3
185.09592	0.2
186.10387	1.7
187.07542	1.4
188.08305	3.2
189.09088	3.7
191.10663	3.6
193.08598	0.8
201.09096	1.1
202.09854	2.6
203.10664	5.2
205.12100	0.2
215.10796	0.2
217.12228	10.0
234.64545	0.2
264.89188	0.2
291.13748	0.2
292.14520	0.3
293.11679	0.2
298.45709	0.2
299.61932	0.2
309.14822	0.7
323.16418	1.9
324.16965	0.3
340.16678	12.5
341.16980	0.4
344.82452	0.2
353.17505	0.7
355.19009	17.2
356.19370	0.7
373.19928	0.5
397.20135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.07070	1.4
67.05505	4.9
68.05036	0.9
69.07095	0.8
69.72302	1.7
69.72668	1.7
70.06585	100.0
71.32508	0.8
79.05487	3.5
81.07029	4.0
83.08609	1.3
88.39268	0.8
91.05468	2.2
93.07046	5.0
95.04939	1.0
95.08603	4.0
98.23424	1.0
107.08585	2.0
109.10183	1.3
119.08571	1.4
121.10143	2.5
128.07089	1.8
130.08626	78.2
131.08501	1.0
135.11681	1.3
149.09691	1.1
151.07503	4.3
159.11723	1.0
159.45537	0.8
187.89230	0.8
234.31651	0.7
327.30441	2.4
345.31488	3.4
414.37198	1.9
474.39340	51.4
475.39706	2.2
486.90665	0.8
492.40274	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78175	0.5
56.96564	18.3
71.46105	0.7
71.95256	1.7
72.93958	0.5
79.05476	0.7
81.07006	0.7
83.38573	0.5
89.70252	0.5
90.10009	0.6
91.00486	0.6
96.70322	0.5
98.97581	61.2
99.05547	0.6
103.05483	0.9
105.07073	0.6
116.98617	40.3
123.04446	0.9
131.04906	0.9
134.99651	20.2
135.04391	7.2
135.05183	0.6
136.04779	1.7
140.00204	4.2
149.05974	1.4
151.07515	1.0
153.00652	1.4
157.06485	0.7
158.01280	2.8
161.05972	0.9
163.07565	1.5
167.07057	6.0
168.07407	1.6
169.55438	0.6
185.05962	1.0
187.07561	1.3
201.09103	0.9
234.10052	0.7
266.13120	0.6
292.10580	0.7
304.07205	1.2
323.12735	1.0
324.13123	1.3
337.03693	0.8
355.15259	1.9
356.15811	2.3
365.03488	1.3
366.03903	0.8
375.02863	0.6
380.01724	0.8
381.02405	1.2
381.06793	1.2
383.04132	1.5
384.04990	0.9
388.54178	0.6
390.04453	0.6
395.04489	2.0
397.05878	0.9
398.03189	1.6
404.02161	1.4
409.06409	0.9
413.05545	1.2
419.04150	0.9
421.05759	1.7
422.03091	0.7
424.04337	1.7
425.05487	0.9
426.06351	1.2
435.03909	1.7
437.05460	1.8
439.07040	2.7
442.05460	2.9
449.05606	0.9
451.07050	1.1
453.05072	2.7
454.05576	0.8
457.08206	14.6
463.03589	0.8
471.05872	1.6
477.04691	1.7
478.05746	7.4
480.09702	1.3
481.08054	2.2
493.08054	100.0
493.27438	1.6
494.08133	4.1
496.06970	3.3
499.09406	0.7
511.09137	22.3
512.09332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1343
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
61.63915	0.1
62.31308	0.1
69.03441	0.2
69.38579	0.4
85.02898	0.2
91.05473	0.2
93.06981	0.1
97.02873	0.1
103.05437	0.1
119.04934	0.2
121.02962	0.2
121.06413	0.2
122.03648	0.3
133.06479	0.1
136.05170	0.1
137.02316	0.1
137.05972	3.2
145.06401	0.1
146.50092	0.1
149.05927	0.1
151.07559	1.1
153.01820	0.3
156.80743	0.1
163.07558	0.5
167.08501	0.2
175.07426	0.1
177.08817	0.1
178.02597	0.5
189.09106	0.2
195.08028	0.2
227.10754	0.2
242.05702	1.5
243.06357	0.1
255.02852	0.2
255.10307	0.2
258.05203	1.5
259.05923	0.1
269.04614	0.2
270.05215	9.8
271.05585	0.3
273.03961	1.1
286.04752	2.0
287.05472	3.5
287.12665	0.4
288.06110	0.1
298.04633	0.4
299.05505	1.7
301.03360	0.8
302.04123	0.9
313.03485	0.5
315.04968	30.8
316.05685	4.6
331.08090	100.0
332.08414	3.9
332.12186	0.2
483.52362	0.1
493.12964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10018	0.4
55.05495	1.9
65.03904	0.7
67.05504	6.2
69.03412	1.2
69.07056	1.1
70.06577	1.9
71.04987	0.8
71.06920	0.7
78.99313	0.4
79.05486	1.7
81.06701	0.4
81.07058	4.6
83.04968	0.6
83.08624	0.7
85.06527	1.3
91.05448	1.0
93.07036	3.0
95.04926	0.8
95.08022	0.8
95.08605	14.6
101.06004	0.6
105.07036	2.7
107.08564	1.1
108.05715	0.9
109.10168	3.1
111.04430	0.8
111.08051	0.8
113.05968	1.1
113.09601	1.2
119.08559	1.2
121.06447	0.4
121.10151	0.7
123.08067	12.0
123.11702	1.1
125.09629	1.3
129.09128	1.1
129.65660	0.4
131.08560	1.2
133.10120	0.7
133.89891	0.4
134.59972	0.4
135.08031	1.7
137.05991	1.0
137.09590	1.0
137.13243	0.6
139.07541	0.5
141.09084	3.1
143.08589	0.5
145.10115	1.1
147.11758	0.5
149.09663	0.9
149.13290	0.6
151.07530	100.0
152.07860	2.3
155.10579	0.7
157.08626	1.1
159.11705	0.7
161.09631	1.4
163.07596	0.7
163.11162	0.9
165.09087	2.6
166.08676	0.5
169.08549	1.0
173.09612	1.3
173.11740	0.5
175.07507	0.8
175.11145	2.5
176.08292	0.7
177.09109	6.1
181.16817	0.5
183.10094	0.7
187.09631	3.4
187.11174	1.0
189.09106	1.4
189.12759	2.0
190.09824	0.6
191.10655	22.3
191.12413	1.1
192.10898	0.9
199.11270	0.7
201.11214	0.6
203.10681	2.1
205.12257	9.2
215.10606	0.6
217.12227	1.1
219.13736	0.5
220.58327	0.4
229.12283	0.7
259.16888	1.5
285.18591	1.6
291.63150	0.6
303.19495	4.3
308.10925	0.6
317.20895	0.9
337.23877	1.1
341.88504	0.5
393.27780	1.4
411.29135	4.4
429.29861	5.0
430.30066	0.6
457.29352	1.2
475.30350	1.6
493.28903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10018	0.4
55.05495	1.9
65.03904	0.7
67.05504	6.2
69.03412	1.2
69.07056	1.1
70.06577	1.9
71.04987	0.8
71.06920	0.7
78.99313	0.4
79.05486	1.7
81.06701	0.4
81.07058	4.6
83.04968	0.6
83.08624	0.7
85.06527	1.3
91.05448	1.0
93.07036	3.0
95.04926	0.8
95.08022	0.8
95.08605	14.6
101.06004	0.6
105.07036	2.7
107.08564	1.1
108.05715	0.9
109.10168	3.1
111.04430	0.8
111.08051	0.8
113.05968	1.1
113.09601	1.2
119.08559	1.2
121.06447	0.4
121.10151	0.7
123.08067	12.0
123.11702	1.1
125.09629	1.3
129.09128	1.1
129.65660	0.4
131.08560	1.2
133.10120	0.7
133.89891	0.4
134.59972	0.4
135.08031	1.7
137.05991	1.0
137.09590	1.0
137.13243	0.6
139.07541	0.5
141.09084	3.1
143.08589	0.5
145.10115	1.1
147.11758	0.5
149.09663	0.9
149.13290	0.6
151.07530	100.0
152.07860	2.3
155.10579	0.7
157.08626	1.1
159.11705	0.7
161.09631	1.4
163.07596	0.7
163.11162	0.9
165.09087	2.6
166.08676	0.5
169.08549	1.0
173.09612	1.3
173.11740	0.5
175.07507	0.8
175.11145	2.5
176.08292	0.7
177.09109	6.1
181.16817	0.5
183.10094	0.7
187.09631	3.4
187.11174	1.0
189.09106	1.4
189.12759	2.0
190.09824	0.6
191.10655	22.3
191.12413	1.1
192.10898	0.9
199.11270	0.7
201.11214	0.6
203.10681	2.1
205.12257	9.2
215.10606	0.6
217.12227	1.1
219.13736	0.5
220.58327	0.4
229.12283	0.7
259.16888	1.5
285.18591	1.6
291.63150	0.6
303.19495	4.3
308.10925	0.6
317.20895	0.9
337.23877	1.1
341.88504	0.5
393.27780	1.4
411.29135	4.4
429.29861	5.0
430.30066	0.6
457.29352	1.2
475.30350	1.6
493.28903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10018	0.4
55.05495	1.9
65.03904	0.7
67.05504	6.2
69.03412	1.2
69.07056	1.1
70.06577	1.9
71.04987	0.8
71.06920	0.7
78.99313	0.4
79.05486	1.7
81.06701	0.4
81.07058	4.6
83.04968	0.6
83.08624	0.7
85.06527	1.3
91.05448	1.0
93.07036	3.0
95.04926	0.8
95.08022	0.8
95.08605	14.6
101.06004	0.6
105.07036	2.7
107.08564	1.1
108.05715	0.9
109.10168	3.1
111.04430	0.8
111.08051	0.8
113.05968	1.1
113.09601	1.2
119.08559	1.2
121.06447	0.4
121.10151	0.7
123.08067	12.0
123.11702	1.1
125.09629	1.3
129.09128	1.1
129.65660	0.4
131.08560	1.2
133.10120	0.7
133.89891	0.4
134.59972	0.4
135.08031	1.7
137.05991	1.0
137.09590	1.0
137.13243	0.6
139.07541	0.5
141.09084	3.1
143.08589	0.5
145.10115	1.1
147.11758	0.5
149.09663	0.9
149.13290	0.6
151.07530	100.0
152.07860	2.3
155.10579	0.7
157.08626	1.1
159.11705	0.7
161.09631	1.4
163.07596	0.7
163.11162	0.9
165.09087	2.6
166.08676	0.5
169.08549	1.0
173.09612	1.3
173.11740	0.5
175.07507	0.8
175.11145	2.5
176.08292	0.7
177.09109	6.1
181.16817	0.5
183.10094	0.7
187.09631	3.4
187.11174	1.0
189.09106	1.4
189.12759	2.0
190.09824	0.6
191.10655	22.3
191.12413	1.1
192.10898	0.9
199.11270	0.7
201.11214	0.6
203.10681	2.1
205.12257	9.2
215.10606	0.6
217.12227	1.1
219.13736	0.5
220.58327	0.4
229.12283	0.7
259.16888	1.5
285.18591	1.6
291.63150	0.6
303.19495	4.3
308.10925	0.6
317.20895	0.9
337.23877	1.1
341.88504	0.5
393.27780	1.4
411.29135	4.4
429.29861	5.0
430.30066	0.6
457.29352	1.2
475.30350	1.6
493.28903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03862	0.6
55.01887	0.7
55.05513	2.9
57.03433	1.5
57.07075	19.3
58.07398	0.8
62.98260	15.6
67.05504	4.8
69.07070	4.7
69.10833	1.4
69.11237	3.8
71.08267	1.0
71.08630	13.7
75.04472	1.0
79.05505	1.5
81.07059	10.1
83.08623	5.6
85.10185	9.0
89.25269	0.7
89.30061	0.6
91.05474	1.2
93.07028	1.8
95.04966	0.7
95.08603	12.5
97.10173	3.0
98.23463	1.1
105.07033	1.5
107.04945	1.0
109.10162	6.5
111.11652	0.8
113.00072	0.9
121.06584	0.6
123.11716	2.7
124.93771	25.4
125.13320	0.9
133.10170	0.8
136.05211	1.0
136.96387	0.6
137.13242	1.5
151.07553	14.5
151.14882	0.6
152.07878	6.8
156.96379	35.9
157.87538	0.7
165.09123	1.5
169.02628	1.4
198.97516	1.0
202.09746	0.7
212.99005	3.0
217.12238	1.7
218.12550	1.5
221.22572	1.1
239.23706	18.1
257.24817	2.4
271.76318	0.6
275.20062	2.5
293.21243	1.0
313.27350	40.9
314.27869	1.2
324.16782	0.9
325.21161	0.8
331.28436	1.5
337.27515	1.7
341.17169	2.1
355.19159	0.9
356.19412	4.3
405.04227	0.7
461.20361	25.3
462.20789	1.1
493.23026	100.0
494.23431	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.37285	0.6
55.01865	2.2
55.05505	5.1
65.03918	1.2
67.05167	1.6
67.05502	18.5
69.07063	5.7
71.04978	1.9
71.38911	0.7
74.33970	0.7
79.05038	1.3
79.05488	20.0
81.07053	22.8
83.04968	2.9
83.08603	7.1
85.02893	2.1
85.06521	1.5
91.05470	20.3
93.07040	26.8
95.04951	2.8
95.08033	1.1
95.08606	17.3
97.06514	7.5
97.10130	1.8
99.08059	1.3
103.05435	0.9
105.04524	0.7
105.07012	12.4
107.04949	7.7
107.08585	20.0
109.06490	3.9
109.10146	6.4
111.04428	1.0
111.08080	6.9
111.09229	0.9
112.06087	0.7
117.06987	9.4
119.08575	16.3
121.06496	4.8
121.10142	24.0
123.08070	3.9
123.11692	3.0
125.05946	1.3
125.09608	1.3
128.06187	0.8
129.07002	4.7
131.08557	23.3
133.06512	1.3
133.10121	14.0
135.08043	16.8
135.11684	9.0
137.09621	8.7
139.07500	1.8
141.06990	1.8
141.69151	0.8
143.08499	3.5
145.10118	20.7
147.08089	3.8
147.09030	0.8
147.11658	4.2
149.09607	29.2
150.09929	1.4
151.07516	4.5
151.11209	3.6
153.09106	2.5
155.08531	2.4
157.10074	1.3
159.11693	5.1
161.09647	2.7
161.13240	2.4
163.11176	10.2
165.09070	2.7
167.10660	1.3
169.10075	7.4
173.13246	2.8
175.14850	1.0
177.05527	0.8
177.16301	2.2
181.12231	1.1
183.11736	4.2
185.13251	4.3
187.11211	0.9
187.14830	16.8
201.12741	1.8
201.16373	17.7
203.17924	6.7
205.15819	1.4
205.82492	0.8
211.14816	26.8
211.16776	1.3
219.17505	5.8
229.15851	27.1
237.18387	4.8
247.16922	100.0
248.17288	2.3
265.17975	75.6
266.18271	2.0
283.19019	10.7
333.16882	1.4
351.18011	12.7
352.18280	0.8
369.19061	51.7
370.19482	1.8
387.20132	2.7
494.14673	1.0
494.31870	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
64.37318	0.9
65.03908	0.9
69.42234	1.5
69.42636	2.5
77.03963	0.9
78.04704	1.8
79.05490	4.6
81.07046	2.1
84.91175	1.4
91.05479	4.5
93.07037	1.3
94.04173	3.3
95.04976	1.1
95.08537	1.1
100.23984	0.9
103.05460	9.8
105.07024	2.5
106.04167	1.2
107.04951	8.3
109.06508	1.8
114.47124	0.7
115.05447	3.1
117.06993	1.9
121.06480	2.0
122.03644	7.2
123.04420	4.8
123.08051	2.1
124.05235	2.5
128.06201	2.1
129.07011	2.4
131.04924	15.8
131.08559	1.7
133.06476	3.9
135.08054	1.9
137.05968	100.0
137.56647	0.7
138.06348	0.9
141.06998	0.8
143.04900	3.8
143.08540	2.9
144.05670	1.6
145.06470	3.1
145.10077	1.4
147.08058	2.5
149.05981	1.3
151.03865	0.8
151.07524	30.9
152.04620	1.8
157.06487	2.2
158.07278	1.2
159.08029	2.9
160.05199	2.9
161.05974	1.4
162.06905	0.8
163.07526	37.5
167.07028	72.0
171.08060	4.5
172.05168	1.3
173.05962	1.2
173.09625	2.3
174.06758	1.7
175.07533	16.8
179.07036	2.0
181.08607	2.1
186.06799	0.8
187.07549	11.2
188.08342	1.5
189.09100	4.6
193.08609	3.4
201.09081	3.2
203.10658	11.5
205.10223	1.4
207.10120	1.7
215.08519	0.9
219.10161	3.6
233.09557	3.4
233.11731	10.1
261.09048	3.2
263.12802	2.7
265.12207	3.3
293.11664	8.8
295.65924	0.8
309.20169	0.8
325.14313	26.8
357.16937	35.0
363.28036	0.9
375.17923	2.8
417.18954	1.3
495.25751	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03934	1.3
79.95987	1.4
83.08575	1.4
91.05474	2.8
98.09108	1.7
105.07034	1.7
107.04944	6.2
108.05712	2.2
112.22086	1.2
115.16563	1.1
117.07026	1.5
121.06509	2.4
131.04945	1.2
134.61424	1.2
136.05228	6.3
137.05939	5.2
138.06735	2.0
145.06502	1.9
147.08057	3.6
148.05177	5.8
150.06831	2.4
151.07535	100.0
152.07898	1.4
161.06015	2.8
163.07535	5.2
165.09074	6.5
166.06281	11.5
167.06996	3.7
175.07550	2.3
176.08282	2.0
177.09073	11.1
179.10713	1.4
180.07851	2.3
181.08594	74.4
186.10327	1.6
187.07407	1.5
188.08302	2.6
189.09081	4.1
191.10657	4.6
193.08618	3.7
195.10158	3.3
201.09103	2.2
202.09909	2.1
203.10669	5.6
207.10129	4.6
217.12187	6.6
221.11745	3.6
233.11755	3.7
247.13235	3.1
263.12973	1.4
282.59097	1.3
353.17535	4.6
354.18225	3.8
370.17758	12.9
385.20081	55.2
385.25092	2.8
386.20401	3.4
403.21179	32.6
404.21323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3258
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.73182	0.3
55.05508	2.0
56.05033	1.1
57.03415	0.6
57.07066	0.4
58.06341	0.4
58.06604	1.5
59.07375	0.5
60.08163	17.2
66.67062	0.4
67.05499	1.6
69.07059	2.5
70.06581	0.6
71.07011	0.6
71.07372	6.9
74.09802	0.3
79.05504	0.8
81.07055	2.1
83.08622	1.4
86.09702	52.7
92.18046	0.4
93.07040	0.6
93.96899	0.3
95.08604	1.2
97.10147	0.8
98.98473	3.8
100.71212	0.4
104.10739	98.5
105.11078	0.5
107.08579	0.5
107.49625	0.3
109.09052	0.4
121.10153	0.7
124.99998	28.3
135.11707	0.6
136.05183	0.4
151.07541	3.9
151.77171	0.3
152.07866	2.9
153.08107	1.1
163.01547	0.8
165.09169	0.6
166.02589	0.4
168.87964	0.3
184.07332	100.0
185.07646	0.8
217.12163	0.6
257.52127	0.4
258.11084	0.7
301.62079	0.4
311.25696	2.1
339.00113	0.3
342.17615	0.5
356.18988	0.4
357.19592	0.9
409.65805	0.3
476.31351	8.8
494.32373	34.2
495.32803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3267
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.49508	0.5
55.05517	2.4
56.05028	1.1
57.03443	0.7
57.07075	0.9
58.06609	1.4
58.09356	0.4
60.07869	0.8
60.08168	16.6
62.31465	0.4
67.05509	1.0
69.07080	2.9
71.07383	6.4
71.08632	0.7
71.46619	0.4
79.05476	0.5
81.07053	1.1
83.08628	2.4
86.09712	50.5
87.10031	0.6
94.92295	0.4
95.08624	0.6
97.10183	1.3
98.22860	0.6
98.98463	4.8
104.10749	100.0
105.07027	0.6
105.11066	0.9
111.11697	0.5
116.04150	0.5
117.54301	0.4
124.23175	0.5
125.00010	27.9
137.05632	0.5
151.07527	3.2
152.07890	1.8
163.01524	0.7
184.07355	91.1
185.07681	0.8
195.72153	0.4
307.06842	0.5
311.25870	1.1
332.66290	0.6
357.19766	0.7
476.31311	8.7
494.32394	30.1
495.33029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93087	0.4
55.05511	0.9
56.11889	0.5
65.03942	0.6
67.05501	1.3
69.03428	0.8
69.71149	1.9
79.05495	1.6
81.03434	1.2
81.07066	1.6
81.35698	0.5
82.81593	0.5
83.08642	0.9
84.04512	6.6
85.02898	0.7
86.09733	0.6
91.05496	1.7
92.05014	1.0
93.07057	1.1
95.05000	0.6
95.08616	0.6
97.02901	0.8
98.97578	0.7
105.07046	0.9
107.08597	1.2
109.10166	0.7
119.08592	0.7
120.04470	17.2
121.10249	0.5
130.04993	3.5
131.08571	0.6
133.10110	1.2
135.11644	0.6
137.06021	1.8
138.05487	10.2
138.06418	1.0
141.44820	0.5
145.10222	0.6
147.11737	0.6
151.07584	0.6
152.07816	0.6
157.10188	0.8
186.05577	0.5
187.11012	0.8
193.12241	1.3
194.74840	0.5
203.10483	0.8
204.24147	0.5
211.13373	1.9
229.12080	1.3
230.12474	0.5
232.06255	0.6
245.06302	1.0
247.13008	7.8
250.14371	0.7
267.09769	7.9
268.15576	0.5
275.12555	5.7
289.05353	0.6
307.12253	0.6
331.94006	0.5
373.59680	0.6
391.17188	2.6
409.18460	14.2
410.18994	0.8
451.19388	42.1
452.19702	2.1
495.18350	100.0
496.18738	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40080	0.6
69.03426	1.0
69.56833	0.6
70.06590	1.4
71.46807	0.7
71.84923	0.6
72.22884	0.6
72.28818	0.7
81.07030	0.8
83.36919	0.7
84.08169	0.6
85.02899	1.2
86.09724	0.8
91.05492	1.1
93.07069	1.1
95.04959	0.8
99.86066	0.5
105.07043	2.4
109.02886	0.8
119.01893	1.0
119.08591	1.7
120.08126	0.8
121.06520	0.7
121.10119	0.7
134.08075	0.7
135.53862	0.5
137.05992	0.7
140.06976	0.8
143.01910	0.8
147.11697	1.5
151.03946	0.9
168.06546	0.9
168.22256	0.6
176.09366	0.7
177.05380	0.7
185.04349	0.9
187.00839	0.6
197.48788	0.7
203.05305	2.4
227.05260	1.1
229.12035	8.5
231.13620	3.0
245.06308	3.9
247.13104	2.6
269.13586	1.1
271.04239	1.0
287.03699	5.5
289.05289	54.0
290.05762	1.2
349.15137	1.1
385.33212	0.6
432.72397	0.6
451.19452	5.6
495.18402	100.0
496.18576	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02836	1.3
55.05490	3.7
55.73701	1.2
56.05031	1.4
56.96556	7.8
57.03424	1.6
64.78484	1.1
65.03953	1.7
67.05486	3.8
69.03404	3.1
69.07051	2.5
71.04971	1.3
74.06113	1.1
76.31496	1.2
78.43150	1.0
79.05488	5.7
81.03413	11.4
81.07072	6.4
81.07440	1.1
83.04964	4.7
83.08601	3.2
84.04500	37.4
84.96008	4.2
85.02884	1.3
86.09690	1.1
91.05459	4.3
92.05017	1.8
93.07037	5.2
95.04954	4.9
95.08583	3.5
96.04477	1.4
97.02847	1.1
98.97578	33.1
105.07014	4.9
107.04955	2.6
107.08544	2.9
109.02858	1.6
109.06492	2.0
110.97535	3.0
112.99117	1.9
116.36584	1.1
116.97865	1.6
116.98618	16.7
117.41985	1.2
119.08565	4.2
120.04462	100.0
120.08078	1.4
121.04810	1.5
121.10107	3.0
128.98595	3.2
129.07019	1.8
130.04993	21.7
131.08536	2.6
133.10149	2.8
134.99641	2.9
137.05954	2.9
137.09654	1.5
138.05489	58.9
143.00134	1.3
145.10031	1.6
146.99666	1.4
147.11604	1.9
149.09581	2.2
151.07484	2.0
157.10068	2.5
158.99693	2.0
160.08778	1.5
170.99673	2.1
175.11203	2.2
177.00694	3.2
177.12733	1.6
185.07097	2.2
186.05411	2.5
188.31796	1.2
188.33426	1.1
193.12204	5.6
211.13254	11.0
219.01724	4.3
219.81750	1.2
222.14861	1.3
232.06091	4.3
237.02779	5.2
239.20671	1.1
249.08791	1.5
250.14354	3.3
265.11078	3.2
267.09766	48.8
268.15479	2.2
278.02200	1.2
283.12170	4.8
289.10941	6.8
307.12177	17.1
315.19553	1.9
321.13831	2.3
325.13101	4.2
349.13092	3.2
409.15292	33.2
451.16388	31.3
495.16251	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
55.05508	4.1
56.96574	1.4
57.03424	2.3
61.02930	1.1
65.03923	1.1
67.05490	5.9
69.03442	2.5
69.07066	3.2
69.19217	6.5
70.33429	0.9
72.48731	1.1
73.02874	1.1
79.05489	7.7
81.03409	1.8
81.07053	26.4
83.04966	1.8
83.08613	1.9
85.02897	2.8
85.06532	1.2
91.05476	5.6
93.07042	7.9
95.08592	6.0
97.06529	2.2
98.22763	2.0
105.07040	7.3
107.04977	1.3
107.08596	3.6
107.39510	1.0
109.06522	11.2
109.10145	2.3
111.04436	14.6
113.00009	16.5
117.07027	3.3
117.57986	0.9
119.08599	6.0
121.10108	5.2
123.08124	1.9
125.05989	5.0
128.06201	1.6
129.06995	2.6
131.04875	1.1
131.08585	4.7
133.10106	6.2
135.08083	3.1
135.11679	4.9
137.05968	100.0
137.13258	1.6
138.06313	1.6
143.08554	3.5
145.06435	1.3
145.10139	3.9
147.08061	2.3
147.11687	6.3
149.09628	2.3
149.13210	1.5
151.07556	4.3
155.08530	1.2
157.10136	2.9
159.11653	2.2
161.09541	5.5
161.13243	3.2
161.99692	1.0
163.11183	2.8
165.09126	1.9
167.07048	2.7
167.10777	1.2
169.02588	1.9
171.11736	2.3
173.13275	1.7
174.39288	0.9
175.11179	3.7
175.14784	1.7
179.10727	1.2
183.11716	1.3
185.13376	1.3
189.12796	2.5
203.17969	4.3
213.16312	2.1
221.18930	1.2
231.17461	7.0
249.18428	6.1
259.20605	1.5
277.17969	66.4
278.18375	2.0
293.84933	1.1
295.19028	10.9
301.21344	1.1
307.20990	1.1
333.24176	1.7
351.21631	36.6
367.22589	1.6
383.24207	1.3
385.23181	1.1
429.26544	1.0
441.26236	2.6
445.19855	14.0
457.58481	1.0
459.27625	1.7
465.40591	1.1
477.28412	2.8
495.29562	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12486	1.3
54.91604	1.2
55.01873	3.1
55.05511	3.0
56.96567	1.6
57.03439	1.4
57.07082	1.4
63.44177	1.3
67.05494	4.6
69.07068	4.8
79.05495	4.9
81.07051	23.0
83.04975	1.7
83.08588	1.6
91.05474	2.7
93.07048	5.3
95.08611	6.0
103.89294	1.5
105.04784	1.3
105.07042	4.3
107.08615	3.7
109.06496	8.8
109.10201	2.1
111.04430	15.8
113.00027	8.5
117.06991	1.2
119.08546	4.4
120.13611	1.3
121.10130	5.8
125.05997	4.5
131.08548	3.0
133.10133	5.4
135.08057	2.3
135.11691	4.5
137.05966	100.0
137.13214	1.8
138.06419	1.8
143.08708	1.4
147.11719	6.3
149.09627	2.9
149.13246	2.1
151.07532	2.9
151.11215	1.6
157.10126	3.2
161.09618	5.3
161.13170	1.5
163.11185	2.7
165.09195	3.7
166.53078	1.4
167.07068	4.1
171.11630	2.2
175.11119	6.6
179.10716	1.4
189.12761	2.9
193.12297	2.5
195.09879	2.3
203.17964	4.9
208.60213	1.5
213.16484	2.2
221.19142	1.5
231.17438	9.8
249.18585	4.4
251.12369	1.6
264.06149	1.3
277.17960	59.4
278.18604	1.5
295.18970	9.4
297.13214	1.8
315.16312	7.7
333.17374	12.3
351.21710	52.0
356.18854	1.4
375.18356	3.3
378.69556	1.5
383.24280	13.1
386.16968	2.1
445.19919	5.4
495.23572	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
53.41764	0.3
54.04433	0.3
59.01033	0.3
60.04532	2.1
69.12790	1.5
69.13218	0.9
71.05004	0.5
79.05478	0.4
81.03393	1.0
81.07049	0.4
81.50246	0.3
84.04502	0.6
85.02884	0.4
86.09703	37.0
87.10044	0.3
91.05489	1.2
93.07047	1.4
95.05004	0.4
95.08587	0.4
98.71784	0.3
98.72388	0.3
102.05540	0.5
103.05444	2.2
107.08601	0.4
112.03947	2.2
112.89360	0.3
117.04571	0.3
120.08100	100.0
120.35781	0.3
121.08445	1.7
124.03951	0.4
171.13789	0.6
172.07602	0.4
201.12340	2.2
219.13371	4.0
231.11371	0.6
233.16457	2.0
247.13055	0.3
257.53067	0.3
259.10779	20.3
260.11124	0.5
261.15955	2.3
272.98108	0.4
277.11816	13.5
299.08246	0.3
333.20450	0.6
348.19025	1.2
362.20773	1.9
390.20081	1.8
409.18039	1.0
451.19440	1.9
477.23386	1.9
495.18359	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2462
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
50.98676	0.8
62.98261	12.7
67.05523	1.0
70.06613	1.3
75.70220	0.9
89.06036	2.1
107.08634	0.8
111.21643	0.8
124.93770	23.9
133.08636	1.1
137.06743	0.8
156.96394	32.2
212.98978	2.0
228.78625	0.8
283.17429	1.8
308.50754	0.9
373.96997	1.0
463.22000	25.1
495.24609	100.0
496.25027	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.05508	10.7
58.97853	3.3
64.13831	3.5
67.05482	11.2
70.18996	7.8
79.05490	12.0
81.07067	13.2
83.04977	20.2
91.05468	16.8
93.07034	21.9
95.04975	10.9
95.08623	18.2
97.06490	3.9
98.74031	3.0
103.05431	4.4
105.07039	17.8
107.04983	7.2
107.08573	4.7
109.06541	4.2
109.10151	3.6
109.56646	3.4
110.13305	3.1
111.04465	13.6
111.08085	11.5
117.07030	8.5
119.08559	23.9
121.06510	5.6
121.10133	3.9
123.08097	4.7
128.06297	5.8
129.07040	8.2
131.04950	3.7
131.08562	11.1
133.10141	13.4
135.04391	25.5
135.08086	7.6
136.04762	11.6
137.04982	4.6
137.05966	14.4
139.07556	9.3
141.06989	8.1
142.07794	4.1
143.08582	9.6
145.06473	4.5
145.10127	8.4
147.07983	4.1
147.11620	8.4
149.06004	4.3
151.07538	8.5
154.07774	4.4
155.08549	20.3
156.09363	4.4
157.06557	4.5
157.10144	9.5
159.08127	7.4
159.11708	15.1
161.05991	4.6
163.07582	5.7
164.07898	4.0
167.07042	18.4
167.08429	6.9
168.07376	13.4
169.07581	8.6
169.10060	16.1
171.11720	10.9
173.09610	5.3
175.11145	3.4
177.05501	4.9
179.08548	9.9
181.10060	6.5
183.11746	9.4
185.05995	6.4
185.09677	4.9
187.07603	4.0
187.11142	7.2
188.08011	4.0
189.05333	4.3
192.09262	4.1
194.10805	5.5
195.06287	4.7
195.11641	6.5
197.09561	17.4
202.09512	4.8
204.09332	4.0
204.67346	4.0
205.10233	4.1
206.10863	12.2
207.06534	7.8
207.11601	9.9
208.12627	4.1
209.13222	8.5
215.10677	14.4
217.10127	4.4
218.11180	3.8
219.11746	9.8
221.13351	5.8
223.11238	4.6
227.14357	7.0
229.10159	5.2
230.10785	5.9
231.11670	9.4
235.14784	5.4
243.11609	7.0
245.13293	9.0
246.13864	4.7
247.11174	6.7
247.14835	3.7
257.13220	4.6
259.14908	7.9
260.15402	5.9
270.14185	3.9
272.15701	3.9
273.16507	7.5
275.14377	7.7
277.15869	5.0
285.16162	5.4
299.18039	4.5
303.17398	7.8
319.15216	18.6
326.13568	5.1
327.17300	4.8
337.16583	15.4
345.18433	6.1
349.16571	5.4
358.16467	4.3
360.20807	5.3
399.23102	5.6
401.21378	3.6
413.24554	14.2
415.26505	5.5
419.22433	5.0
423.22986	6.4
431.25833	9.6
441.24261	65.2
442.24054	5.0
459.25342	100.0
460.25409	7.8
495.11749	47.3
495.28922	10.6
496.17300	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32537	0.7
52.49326	0.8
57.03439	2.5
69.03436	9.8
70.06596	2.8
72.08134	1.0
74.06078	0.9
75.27502	0.9
78.08694	0.8
78.66108	0.7
81.03439	2.7
84.04511	0.9
85.02914	7.2
86.09690	1.9
87.04482	6.0
95.01353	0.8
95.04971	1.2
97.02903	9.0
110.03661	3.2
110.07184	1.0
115.03943	8.8
120.08136	0.8
123.04445	0.9
125.05988	18.3
127.03916	1.9
133.04965	9.5
137.06024	1.5
139.03925	2.4
139.07568	1.2
145.04944	0.9
147.04427	0.8
149.06033	0.7
151.03856	1.2
151.07600	0.8
153.04231	1.9
153.05476	38.2
154.06256	11.0
155.06906	0.8
163.03976	0.8
166.06204	1.3
167.07080	5.0
170.05745	7.3
178.06241	3.9
179.03419	0.9
182.05746	4.3
183.06528	1.2
185.08099	100.0
186.08495	1.1
192.07893	1.2
194.05748	9.3
195.06514	1.5
197.08110	8.2
209.08098	18.9
210.08484	0.9
221.08099	2.7
227.09148	11.4
235.09529	1.6
251.09251	3.8
263.09235	4.0
281.10205	12.5
282.10715	1.1
299.11310	3.1
311.11307	1.9
311.58289	0.8
317.12247	1.7
385.66949	0.8
496.29132	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05035	0.5
57.03429	0.4
57.07082	0.9
57.80222	0.1
58.06625	0.6
58.35942	0.1
59.07401	0.2
60.08161	6.0
67.05492	0.2
69.07059	0.2
69.50027	0.3
69.50428	0.2
71.07370	2.8
71.07739	0.2
71.08627	0.5
74.00298	0.1
81.07049	0.2
83.08607	0.1
85.10195	0.3
86.09703	29.4
87.10061	0.2
89.05995	0.1
95.08598	0.3
98.98462	2.6
104.10738	3.1
109.10146	0.2
111.01731	0.1
119.08664	0.1
124.99998	20.5
129.95244	0.1
156.94089	0.1
172.95193	0.1
184.07333	100.0
185.07681	0.9
208.99149	0.1
236.14790	0.2
237.84848	0.1
258.10901	0.2
302.05231	0.1
313.27258	0.3
467.40149	0.1
473.19476	0.2
478.33066	1.2
479.33078	0.1
496.34091	3.5
497.21609	0.3
497.34207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.55273	0.2
54.85348	0.2
55.05505	0.5
55.65292	0.2
56.05037	1.4
56.56687	0.2
57.03436	0.4
57.07082	3.3
58.06575	1.5
59.07380	0.3
60.08168	17.5
66.90009	0.2
67.05511	0.5
69.07078	0.4
69.79604	0.8
70.06564	0.2
71.07378	6.6
71.08643	2.3
81.07056	0.9
83.08632	0.6
85.10194	1.5
86.09711	51.8
87.10047	0.5
95.08609	1.1
98.98468	3.3
104.10748	100.0
105.11074	0.7
109.10157	0.8
123.11662	0.2
125.00008	29.4
138.43962	0.2
163.01570	0.9
184.07350	95.5
185.07703	1.1
258.11090	0.8
291.27930	0.2
313.27423	2.1
326.66208	0.2
406.62344	0.2
417.34195	0.2
419.25327	0.3
478.32916	7.2
479.33328	0.3
496.34009	31.9
497.34299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80682	0.3
55.05479	1.3
56.04989	0.4
57.02467	0.3
57.03150	0.4
57.03432	7.2
58.06599	31.4
59.07379	10.1
60.08162	8.9
66.91519	0.4
67.05496	4.0
69.07034	1.4
69.55806	1.0
69.56219	0.6
73.02882	1.1
75.04481	4.0
79.05487	3.1
81.07059	3.3
82.55560	0.3
83.04944	0.4
84.08116	0.9
85.02905	2.6
87.04468	6.0
88.07617	0.5
91.05482	1.6
93.05510	0.6
93.07036	2.9
95.04929	0.5
95.08599	2.5
97.10145	0.4
102.05531	0.5
103.03922	0.9
105.05472	1.0
105.07043	0.5
106.08654	0.7
107.08549	1.1
109.10167	0.8
110.81071	0.4
113.05969	0.4
115.86954	0.3
119.08562	0.7
121.10143	0.7
129.05374	0.3
130.08614	0.4
131.07004	2.1
144.10190	7.9
159.06471	0.4
159.11597	0.4
162.11275	4.0
186.05365	0.8
218.13838	0.4
236.14906	100.0
237.15236	1.9
289.19226	0.3
311.25748	0.9
415.18250	0.5
478.35281	22.7
479.35428	1.0
496.36288	71.3
497.21033	1.1
497.36612	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05511	2.6
57.03437	5.9
58.06597	38.5
58.19990	0.4
59.07378	11.8
60.08160	10.4
65.03921	0.6
67.05500	7.3
69.06380	0.5
69.07037	2.3
69.73736	1.1
69.74113	1.2
71.04960	0.5
73.02897	1.2
75.04475	2.7
79.05129	0.5
79.05493	5.7
81.06636	0.6
81.07053	7.3
84.08123	1.0
85.02870	1.8
85.77470	0.5
87.04445	4.4
91.05468	3.7
93.07038	7.1
95.04945	1.0
95.08626	3.9
97.06484	0.5
98.22800	0.6
102.05517	0.8
103.03912	0.9
105.06998	2.0
107.08562	1.9
109.10137	1.5
113.05951	0.7
116.93686	0.5
117.06948	0.7
119.08563	1.2
121.10109	1.2
127.42721	0.5
131.07010	1.7
131.08560	1.2
133.10121	0.7
135.11671	0.8
144.10199	9.1
162.11234	1.8
184.07333	0.9
236.14906	87.9
237.15291	1.6
434.36591	0.7
473.19580	1.2
478.35257	21.6
479.35764	1.0
496.36295	100.0
497.21298	0.7
497.36996	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
63.46372	0.5
67.05512	4.0
68.05048	0.5
69.07065	1.0
69.71231	0.8
70.06595	100.0
79.05498	3.2
81.07067	3.1
89.06047	1.2
91.05496	4.2
93.07037	2.6
95.04964	0.6
95.08617	1.4
105.07045	2.7
107.08595	1.0
109.10143	0.5
117.07039	0.9
119.08595	1.4
121.10176	1.2
123.78233	0.4
128.07085	0.6
129.07002	0.9
130.02687	0.4
130.08644	55.9
131.08614	1.4
133.10149	1.3
135.11705	0.7
135.86748	0.4
136.91978	0.5
143.08591	0.9
145.10149	1.6
147.11703	0.8
157.10158	0.9
157.57233	0.5
159.11758	0.8
171.11629	0.6
183.11696	0.7
187.14857	0.5
192.53850	0.5
271.62924	0.5
283.17609	0.7
436.35730	0.8
496.31461	0.5
496.37762	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16111	4.9
61.17613	5.3
71.50951	6.7
125.50927	6.6
151.07553	13.0
185.86348	5.5
195.09987	5.9
207.06554	11.5
261.52832	6.4
332.31247	5.2
333.47141	5.6
475.37802	6.0
497.15552	28.2
497.21884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1787
Annotation	Steganangin
Peak:m/z	Relative Intensity
55.83508	0.4
60.34319	0.4
69.14008	0.9
69.14426	1.7
75.59311	0.4
87.67200	0.4
88.56077	0.3
89.60852	0.4
91.05452	0.5
91.14320	0.4
98.22705	0.8
98.64777	0.4
109.70681	0.4
151.07513	3.8
156.82146	0.4
167.06995	2.1
173.07855	0.6
203.10756	0.7
254.19016	0.4
345.13300	0.4
362.17072	0.6
377.19308	0.5
395.20468	0.7
437.16037	0.7
437.21500	0.6
440.08585	0.4
469.18399	0.7
497.17770	100.0
497.23309	4.9
498.18060	4.6
498.24374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68612	0.3
68.56078	0.3
71.50285	0.4
110.77631	0.3
136.05132	0.4
137.05983	0.3
151.07524	8.8
165.09071	0.3
177.09166	0.4
188.08330	0.4
203.10698	0.6
217.12210	0.4
252.63258	0.3
370.94864	0.4
395.18347	0.9
437.19315	4.4
497.21417	100.0
498.21820	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56483	0.8
58.75939	0.9
67.05529	1.1
71.31942	0.8
73.42307	1.0
81.07036	1.2
83.06339	0.9
83.52026	0.9
91.60448	1.0
93.07020	1.0
96.01878	7.9
97.02657	9.1
98.22759	1.2
98.23354	1.0
104.99268	4.1
109.02618	1.4
113.02135	8.9
123.11942	0.9
132.94907	0.8
135.04442	1.5
136.40948	0.8
139.03664	1.2
145.02841	1.5
151.07481	5.1
153.05229	0.9
156.03947	23.1
165.08891	1.1
169.04729	50.5
170.05516	2.1
177.05530	2.0
183.06314	5.1
188.02783	1.1
195.09950	2.4
198.08725	1.2
211.09419	3.5
221.15218	1.7
225.10988	4.9
235.12933	1.6
239.12553	4.2
253.14259	2.6
267.15692	12.5
268.16452	3.0
281.17258	4.8
309.16660	3.1
311.18277	8.0
315.12537	2.0
315.88486	0.9
339.19214	1.8
353.19351	88.6
354.20129	100.0
355.20911	67.7
373.16550	2.7
395.18558	0.8
415.17871	1.2
437.15613	15.2
455.17194	2.6
479.28232	3.0
497.21432	48.0
497.30728	80.8
498.21481	2.2
498.31451	2.0
514.56232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00456	2.1
53.03944	7.3
55.01870	8.4
55.05511	33.4
57.03181	3.8
57.03437	35.1
57.07082	4.0
61.02925	48.3
61.30425	1.9
63.98042	1.9
65.03938	4.9
67.05502	100.0
67.05868	4.8
68.05206	2.2
69.03423	58.8
69.07063	27.9
69.88943	4.1
69.89278	3.3
71.01341	10.9
71.04981	9.1
73.02912	28.5
75.04471	2.3
77.03928	2.0
79.05490	72.1
81.03416	31.2
81.07053	98.2
83.04974	11.7
83.08609	12.9
85.02901	52.9
85.06544	3.3
87.04469	5.3
91.03950	28.4
91.05472	46.4
93.07039	76.2
93.07600	4.3
95.04961	15.4
95.08602	72.5
95.09216	3.8
97.02887	44.0
97.06523	8.0
97.10149	6.9
98.22716	3.4
99.04453	12.2
99.08102	3.9
101.02382	6.9
103.03927	9.6
105.04533	3.3
105.07032	49.4
107.04972	7.7
107.08585	46.8
107.09327	2.3
109.02847	9.7
109.06505	11.1
109.10152	32.5
111.04453	4.0
111.08105	6.4
115.03951	4.0
117.05570	2.3
117.07011	21.9
119.08556	37.4
121.06532	6.5
121.10139	36.4
123.08076	5.4
123.11685	14.4
125.09587	4.5
127.03938	16.6
128.06201	2.6
129.05479	5.7
129.06972	11.3
131.08560	31.7
133.06505	4.2
133.10136	31.5
135.08051	5.2
135.11688	23.2
137.09628	7.2
137.13258	4.3
139.07602	2.2
140.61630	2.2
143.08554	12.5
144.08092	10.6
145.02831	2.8
145.04977	6.9
145.06483	3.5
145.10089	23.8
147.08051	4.0
147.11662	17.9
149.09599	3.0
149.13237	13.0
151.07536	5.1
151.11205	5.3
153.09178	2.9
155.08536	3.8
157.06512	3.0
157.10144	9.1
159.06587	2.3
159.08061	5.1
159.11681	18.8
161.09569	2.9
161.13231	11.4
163.11220	4.7
163.14821	5.6
165.12825	2.4
167.08601	3.1
169.10144	5.5
171.06523	2.1
171.11711	9.1
173.09665	2.4
173.13248	17.9
175.11209	3.0
175.14891	6.7
177.05516	4.4
177.12802	3.5
180.08167	2.2
182.09686	7.8
183.06512	3.8
183.11717	4.3
185.09665	2.8
185.13266	6.3
187.11136	2.9
187.14836	6.8
189.12753	5.0
191.14317	3.3
195.10043	3.2
195.11807	2.8
195.13647	3.0
197.13315	2.6
199.14810	3.8
201.07579	2.8
203.14478	2.1
205.15863	3.6
210.90816	2.1
211.14851	2.3
213.12766	2.5
215.08165	2.8
217.15823	2.9
233.47726	2.1
243.21059	3.4
244.29359	2.1
259.20575	6.4
261.22147	17.7
273.22147	3.7
277.21573	3.8
285.22098	2.6
287.34937	2.2
289.21490	2.3
292.48563	2.0
297.22015	2.4
301.21646	8.2
303.23218	7.9
313.21555	2.4
315.23196	2.7
318.65274	2.0
319.22690	3.2
319.26459	2.5
327.23264	4.0
334.52014	2.2
335.25800	54.7
335.29492	2.2
336.25897	2.8
341.24750	3.6
345.24188	4.3
351.23026	4.8
355.92813	2.2
359.25638	3.2
363.25153	3.8
369.24155	13.1
387.25308	5.5
389.26724	3.2
401.96744	2.1
405.26520	6.9
406.34531	8.8
419.27817	4.0
437.19348	3.1
443.27887	7.5
461.28769	8.2
462.33521	7.1
479.29782	19.7
479.36340	15.2
480.17325	2.6
497.21338	47.5
497.30887	32.0
497.37564	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.26
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68174	0.3
63.02368	0.3
69.33044	2.0
70.91233	0.3
72.08154	6.2
75.89196	0.3
83.38371	0.4
84.08125	1.0
85.22114	0.3
87.54359	0.3
89.03905	5.5
95.74386	0.4
98.22682	0.8
101.03780	0.3
106.04156	0.6
112.11267	2.1
117.03378	18.4
129.13864	1.9
134.03569	1.0
135.04410	0.7
145.02841	60.6
146.03131	0.7
146.16537	1.0
149.05969	6.2
154.44278	0.4
155.11780	1.3
161.48586	0.4
162.03166	0.5
163.03889	0.5
176.07013	0.6
177.05467	100.0
178.05840	1.6
180.82877	0.3
186.05479	1.1
202.48676	0.4
219.08919	0.7
233.01555	0.4
233.12764	0.8
234.11244	45.2
235.11418	0.7
248.12801	4.3
297.90469	0.4
304.20129	1.2
305.18552	2.7
322.21252	9.9
348.19028	0.6
478.49811	0.4
480.24945	0.9
481.23291	1.0
498.25983	88.2
499.26276	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01872	6.5
55.05508	17.1
57.03437	1.9
57.07051	1.1
58.06593	2.6
59.05003	1.4
67.05158	1.9
67.05501	27.1
69.03430	1.6
69.07065	7.0
70.16518	1.6
70.16846	1.4
70.75429	1.0
71.04995	1.5
75.95875	1.2
79.05493	19.8
81.03402	2.7
81.07053	35.7
83.04970	4.8
83.08607	10.9
85.02894	1.5
91.05465	10.4
93.07040	14.4
95.04955	8.7
95.08600	6.0
97.06534	2.6
97.10172	14.9
97.74503	1.1
98.23380	1.5
105.07040	6.6
107.04943	6.0
107.08562	9.4
109.06508	3.7
109.10143	12.1
111.04421	5.5
111.08070	4.0
114.92918	1.1
117.03381	3.9
117.07013	5.7
119.08581	17.3
121.06515	5.8
121.10123	7.1
123.08062	5.8
125.09639	10.3
129.06992	2.8
131.08554	5.9
133.06447	1.8
133.10129	3.5
135.08041	4.9
135.11703	2.4
137.09586	2.3
142.17572	1.3
143.08549	3.5
145.02841	7.6
145.10107	10.3
147.08012	8.8
149.05942	1.7
149.09625	4.2
149.79094	1.2
151.10970	1.5
153.09079	4.2
153.12750	1.9
155.08415	1.6
157.10118	3.0
159.07964	1.8
159.11612	2.4
161.09599	5.3
163.11174	6.1
165.09082	4.4
171.11629	2.3
173.09618	2.2
173.11717	4.2
177.05466	15.7
181.12212	3.2
185.13159	1.8
189.11217	10.3
191.10626	5.3
192.75246	1.4
209.11749	2.3
223.13277	4.9
227.12805	5.5
234.11272	7.2
236.14917	4.0
237.15280	5.0
238.15491	2.6
245.18993	1.5
249.14777	1.8
255.17432	3.0
263.19998	1.4
273.18494	23.6
291.19525	100.0
291.48853	1.3
292.19968	1.4
297.64151	1.3
309.20602	4.8
322.21344	1.6
445.29425	2.2
455.21500	3.6
480.35727	2.4
498.20697	4.9
498.25900	9.8
498.37000	7.5
499.27783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78949	0.3
55.05512	1.7
57.03434	6.5
57.03703	0.3
58.06596	28.4
59.04983	0.3
59.07376	9.4
60.08160	10.0
67.05503	4.3
69.07059	1.6
69.63644	1.0
71.04974	0.3
73.02893	0.7
75.04472	3.8
79.05495	1.4
79.58079	0.3
81.06631	0.4
81.07056	4.7
83.08601	1.0
84.08096	0.8
85.02909	2.3
87.04459	4.3
91.05450	0.9
93.05518	0.4
93.07040	1.4
95.04938	0.3
95.08615	2.6
97.06510	0.5
97.10154	0.5
100.11232	0.4
102.05555	0.3
103.03888	0.8
105.05466	1.0
105.06999	0.6
107.08569	0.7
109.10112	0.9
113.05989	0.7
116.10783	0.3
123.11668	0.4
125.09567	0.3
130.08681	0.5
131.07036	2.5
133.10144	0.5
135.11597	0.3
144.10188	8.1
145.02811	0.8
156.13889	0.4
159.06546	0.3
162.11247	4.4
162.12523	0.4
177.05379	1.4
181.47823	0.3
200.12758	0.3
218.13884	0.7
234.11218	0.3
236.14906	100.0
237.15176	1.5
270.58878	0.3
291.19525	0.8
313.07010	0.3
416.17923	0.4
436.37952	0.4
480.36804	20.1
481.37201	0.9
498.37851	71.1
499.38126	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01855	0.6
55.05509	2.7
55.29193	0.4
55.46072	0.3
57.03437	5.5
57.07036	0.4
58.06601	35.1
59.07385	10.2
60.08168	10.0
65.03912	0.4
66.34686	0.4
67.05508	9.7
69.07063	4.1
69.82961	0.8
69.83287	0.6
73.02900	0.4
75.04480	3.8
75.63199	0.4
77.03928	0.3
79.05485	2.4
81.07060	9.1
83.04959	0.5
83.08595	1.3
84.08115	0.5
85.02890	2.5
87.04053	0.4
87.04469	3.6
88.16917	0.3
91.05483	1.8
93.05467	0.5
93.07054	2.4
95.04955	0.6
95.08033	0.4
95.08607	6.4
97.06516	0.4
98.22667	0.4
100.11230	0.5
103.03951	0.6
105.05470	0.9
105.06989	1.2
107.08557	1.4
109.10143	1.4
113.06021	0.8
119.08568	1.0
121.10143	0.6
123.11669	0.8
130.08649	0.5
131.07054	2.0
133.10130	0.6
135.11713	0.6
144.10191	8.4
147.11630	0.8
154.83449	0.4
162.11269	1.8
181.10063	0.5
182.17783	0.4
193.10114	0.4
207.11703	0.5
209.13246	0.3
218.13823	1.2
236.14926	84.6
237.15239	1.4
278.03470	0.4
323.20352	0.4
331.66452	0.4
393.29929	0.4
403.26190	2.2
436.37930	0.7
445.27408	1.5
463.28351	2.9
480.36887	19.4
481.37222	0.5
498.37903	100.0
499.38101	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50725	0.2
55.05512	0.7
56.64978	0.2
57.07091	0.4
65.03941	0.2
67.05508	3.5
68.05023	0.7
69.07075	1.0
70.06594	100.0
71.06934	0.5
71.11980	0.4
72.08157	0.6
78.89565	0.3
79.05495	2.6
81.07059	2.7
81.74100	0.2
83.08600	0.6
85.06529	0.3
91.05491	3.7
93.07045	2.4
95.04982	0.6
95.08628	1.8
97.10195	0.3
105.07050	2.0
107.08576	1.5
109.10152	0.8
117.07037	1.2
119.08572	1.2
121.10168	1.8
123.11703	0.3
128.07098	1.1
129.07014	0.4
130.08646	69.7
131.08499	2.1
133.10143	1.0
135.11696	0.9
143.08636	0.3
145.10168	1.3
147.11710	0.7
154.47008	0.2
157.10170	0.4
159.11682	0.7
161.13255	0.6
163.11285	0.5
171.11652	0.6
173.13216	0.3
175.14789	0.3
185.13231	0.3
187.14896	0.2
189.12804	0.4
191.17932	0.3
198.11264	0.5
203.14420	0.3
205.19524	0.3
211.14853	0.3
212.12773	0.5
219.20935	0.3
226.14604	0.3
232.17154	0.3
232.20102	0.2
234.18582	0.3
271.24380	0.3
278.17496	0.4
280.18732	0.3
285.25784	0.5
292.19016	0.7
294.20618	0.5
308.21918	0.3
320.22174	0.3
351.30377	0.4
369.31476	1.0
391.06265	0.3
438.37131	0.9
498.39447	4.8
501.37021	0.3
506.07916	0.3
507.91901	0.2
509.42767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.07074	37.8
58.06596	3.6
67.05508	3.2
69.07063	1.9
69.46008	6.5
70.06582	3.6
71.08630	29.7
73.06555	6.3
74.06108	1.5
81.07054	3.5
83.00761	1.4
83.01294	1.3
85.10184	21.2
87.04482	4.8
89.06030	100.0
93.07004	2.2
97.10162	4.8
97.95229	1.5
99.11744	3.6
107.07081	3.4
113.13217	2.0
115.81981	1.5
117.03368	2.6
117.09135	5.8
130.08640	5.8
133.07584	3.0
133.08597	51.1
145.02866	9.6
155.17978	3.8
177.05484	15.1
177.11227	22.0
199.20586	3.7
221.13782	3.6
234.11150	7.1
236.14880	8.1
239.14803	2.0
243.12022	1.4
243.23169	9.8
283.17569	4.1
287.25827	7.0
326.27637	2.9
327.20132	15.8
480.37024	2.0
481.37381	19.0
498.26428	14.7
498.37793	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.5
69.03425	19.5
69.22139	2.1
70.84920	1.9
71.46503	2.3
74.40894	1.8
81.07049	2.5
85.02899	15.7
87.04462	13.4
91.05469	3.6
93.07043	2.6
95.04967	3.3
97.02908	11.0
98.97547	3.0
105.07018	2.2
107.08556	2.1
109.37863	1.8
112.21371	1.7
115.03921	6.9
117.03384	4.6
133.04959	3.9
137.05998	2.3
145.02823	17.6
145.10153	3.6
146.03162	3.5
173.09441	1.8
177.05435	20.2
178.05844	5.7
180.07506	1.7
184.67119	1.8
189.06979	3.3
196.05202	2.0
204.05650	1.9
205.06477	2.2
205.41682	2.0
217.06485	2.7
219.08075	8.5
220.05235	4.4
221.05991	3.7
233.06050	2.2
234.06798	9.5
234.08963	1.9
234.11327	7.3
235.07501	7.6
241.05556	2.0
245.05972	2.2
246.06851	5.6
247.07530	12.0
248.04637	6.3
248.61423	2.2
250.06229	27.7
262.06332	9.6
263.07040	26.7
265.08554	43.5
266.08563	1.8
274.06198	2.7
275.06952	5.7
276.04160	18.1
277.05212	2.7
277.08597	10.7
278.05698	20.9
279.06171	2.4
290.05753	7.9
291.06479	29.6
292.07361	8.6
293.08054	39.2
294.05124	5.0
294.08228	2.2
303.06158	1.9
304.03656	35.2
304.06894	1.6
305.08005	22.9
306.05112	4.3
307.06006	15.2
308.06741	70.7
309.06915	2.2
310.97369	1.9
319.05981	87.8
320.06219	3.5
322.04709	22.5
322.08398	5.7
323.05658	5.4
323.09085	100.0
324.09213	2.8
334.04712	10.1
337.07031	82.4
349.07043	54.5
352.05847	6.4
367.08099	60.2
451.10202	16.7
454.28574	4.2
469.11380	9.4
488.49219	1.9
498.25299	13.0
499.12485	34.7
499.25876	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1731
Annotation	Artonol D
Peak:m/z	Relative Intensity
52.59326	6.9
56.56330	8.4
57.21229	7.4
67.05482	10.3
69.35680	28.5
81.07076	12.1
91.05547	9.0
134.08102	19.0
136.06221	8.5
145.02875	10.8
177.05466	25.5
234.11131	8.5
262.85617	7.9
285.16675	9.5
286.03943	8.5
387.08264	15.1
467.16272	9.7
499.17352	100.0
499.25253	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99079	12.2
68.78689	12.7
69.30435	71.2
96.90643	11.6
98.23516	20.7
98.27574	13.4
116.48856	12.5
123.17229	12.9
128.45520	11.6
145.02872	15.4
151.07585	12.7
177.05524	27.1
211.25664	11.5
280.91937	11.4
439.16650	18.5
456.25186	12.8
467.16623	100.0
499.17133	67.6
520.96228	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1937
Annotation	Interiotherin B
Peak:m/z	Relative Intensity
52.51822	0.5
53.65087	0.4
53.65355	0.4
70.52678	1.1
70.69929	0.4
72.08159	0.7
98.47667	0.4
98.97581	0.9
105.07045	0.5
116.98642	0.5
119.49113	0.4
137.06001	3.6
145.02852	1.4
146.03186	1.0
166.38748	0.4
167.07027	2.4
177.05493	2.3
178.05756	0.7
181.63403	0.5
226.51912	0.5
261.37854	0.5
334.08151	0.6
365.09985	0.6
397.16315	1.3
439.17334	4.4
499.19391	100.0
500.19656	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.05511	26.1
57.07072	9.4
67.05510	35.0
69.07072	23.2
71.10707	6.1
79.05488	30.9
80.63460	5.2
81.07060	100.0
83.04984	15.6
83.08617	33.6
91.05480	31.4
93.07043	50.0
93.87966	6.6
95.04977	6.4
95.08608	90.3
97.10188	12.5
105.07034	70.1
107.08607	76.6
109.06554	9.7
109.10162	78.3
111.11774	6.6
117.07013	9.7
119.08582	75.2
121.10137	69.4
123.11712	22.3
131.08554	38.0
133.10143	51.3
135.08086	9.4
135.11731	29.7
137.13257	6.5
140.64525	5.9
145.10150	71.8
147.11694	48.9
149.13268	17.3
155.08577	8.0
157.10085	13.7
157.34830	5.6
159.11693	51.1
161.13220	29.3
163.11206	16.6
163.14871	11.6
169.10139	6.8
171.11687	10.8
173.13269	20.4
175.14830	24.3
175.58295	5.9
177.16399	31.7
178.05789	10.5
179.84081	5.7
183.11685	10.1
187.14857	24.7
189.16406	34.5
191.17975	17.7
199.14842	13.6
201.16386	66.8
203.17868	29.1
205.15962	25.4
207.17468	29.8
213.16182	6.2
215.17958	35.1
217.15866	8.0
217.19655	5.8
219.17477	34.6
233.18961	42.0
319.84125	6.5
361.62576	6.1
395.32877	7.3
403.33682	8.9
421.34775	65.7
439.35748	12.1
463.31659	7.2
481.32779	11.3
499.26807	10.4
499.34137	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01868	2.1
57.03427	1.8
61.02912	1.1
65.03940	3.7
67.05518	4.3
68.61313	0.6
69.03426	8.0
70.06595	2.6
70.36492	1.6
71.01351	3.9
72.08173	1.6
79.05499	14.9
81.03426	6.5
81.06621	1.3
81.07059	15.5
83.04949	1.0
83.06093	0.7
85.02908	7.8
86.09701	2.7
87.04474	0.8
91.05478	22.7
93.03403	1.2
93.07065	3.4
95.04970	13.9
97.02900	6.3
97.06561	1.2
98.23310	0.9
99.04453	0.9
100.56943	0.6
103.05458	1.1
106.45565	0.7
107.04948	4.7
109.05847	0.9
109.06523	9.4
110.07137	2.4
111.04423	3.6
114.05573	1.4
119.04943	20.4
121.02866	100.0
121.03904	3.8
122.03230	1.0
123.04438	7.4
126.40277	0.8
127.03917	1.7
135.04433	2.9
137.05983	13.8
139.03893	2.9
145.02859	1.4
145.05014	1.1
147.04396	7.8
150.62204	0.7
153.05505	1.7
165.05478	32.0
177.05441	2.4
183.06526	55.0
184.07005	0.8
185.16609	1.1
207.21843	0.7
218.73407	0.7
234.11270	0.9
267.15900	1.8
285.07419	3.3
303.08597	4.1
312.22852	1.0
321.09595	1.4
500.20880	1.6
500.27173	1.6
529.63116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05508	2.5
57.03437	5.5
60.37369	1.2
61.02915	2.2
67.05505	7.3
69.03425	3.5
69.07063	1.9
69.56436	1.3
70.06583	6.2
71.05001	2.3
71.22533	1.7
72.08139	1.3
72.86643	1.1
73.08486	1.2
74.06068	1.1
79.05498	8.3
81.03416	77.6
81.07051	9.5
83.04975	5.2
83.08617	19.7
85.02917	4.0
85.19877	1.2
86.09702	4.5
91.05482	10.9
91.79447	1.0
93.07041	5.1
95.04964	26.3
95.05537	2.0
95.08646	2.3
97.02892	4.3
97.06567	1.4
97.10158	2.2
102.43834	1.3
105.07021	8.4
107.04966	4.4
107.08589	1.7
109.06518	2.3
110.07137	1.5
111.08090	8.0
119.04963	2.0
119.08585	8.1
121.06510	2.2
121.10126	4.6
123.04510	1.3
127.03944	1.2
129.07030	5.2
131.04913	1.1
131.08553	6.0
133.06505	3.5
133.10129	4.2
133.11104	1.2
137.05991	1.4
142.07797	2.2
147.08035	2.5
147.11725	5.7
149.09631	4.8
154.32945	1.2
157.10130	9.8
161.05905	1.4
175.11198	10.4
177.05531	2.3
179.04782	1.2
187.14668	1.1
193.12236	62.5
194.12579	1.3
211.13353	4.6
229.60272	1.2
235.13380	2.1
267.15875	33.8
285.16956	100.0
286.17563	1.1
309.16989	7.0
363.18256	1.4
363.33871	1.3
411.20258	1.5
455.19617	1.5
500.27206	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59465	1.4
55.01871	26.4
55.05505	2.2
66.78210	1.1
67.05497	9.3
68.05032	3.2
69.03427	2.9
69.07066	10.5
69.37112	1.1
70.02956	3.3
70.06589	18.1
70.85957	1.9
71.04990	24.4
79.05485	10.3
80.05002	1.7
81.07069	7.2
82.06607	1.5
86.06066	1.8
91.05472	2.8
93.07056	4.3
94.06559	3.4
95.07314	1.3
95.08599	3.5
96.08128	5.3
97.06526	19.2
98.09695	13.0
105.07018	1.6
106.06547	4.3
107.08571	3.3
108.08108	6.3
108.38895	1.3
109.10142	1.7
112.07576	1.8
119.08537	1.6
120.08144	3.1
121.10126	1.3
122.06020	16.6
124.07584	41.3
124.18558	1.2
126.05493	2.1
130.08649	6.2
134.06013	1.9
134.09706	1.8
136.07567	71.4
140.07047	26.8
143.80066	1.4
148.07602	3.2
152.07092	1.7
153.07864	2.9
176.14375	6.1
176.77972	1.4
193.45454	1.5
194.15422	3.9
204.13841	13.8
222.14877	100.0
223.15247	2.3
240.15967	5.7
377.34390	1.3
397.96271	1.4
470.94833	1.3
482.36279	74.3
483.36896	3.0
515.44696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05510	2.8
57.03429	7.2
57.07032	0.6
58.06596	25.4
59.07378	8.7
60.08161	8.8
67.05472	2.1
69.07067	3.3
71.08587	0.6
71.13229	0.7
73.02908	1.0
75.04489	3.9
79.05460	1.3
81.07049	2.3
83.04924	0.5
83.08589	2.2
84.08129	0.8
85.02863	2.0
87.04460	5.0
93.05510	0.8
93.07007	1.8
95.08579	1.5
97.10126	1.1
103.03928	1.0
105.05474	1.0
109.10101	0.6
115.07565	0.5
121.10091	1.0
131.06975	2.1
140.44606	0.4
144.10179	7.4
162.11255	4.5
190.24292	0.5
200.12778	0.5
221.82550	0.4
236.14903	100.0
237.15189	1.5
334.58054	0.5
438.39255	0.5
464.46313	0.5
482.38373	19.9
483.38824	0.6
500.39423	78.0
501.32584	0.7
501.39581	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.6
57.03437	5.9
57.07050	1.4
58.06599	34.6
58.24376	0.5
58.83325	0.5
59.04982	0.6
59.07109	0.8
59.07379	10.2
60.08161	9.2
67.05502	3.2
69.07064	6.7
69.76180	1.7
73.02879	0.8
74.00610	0.5
75.04472	3.5
79.05468	2.2
79.37022	0.5
81.07054	3.5
83.08630	3.3
84.08119	0.8
85.02879	2.1
87.04467	3.7
87.60109	0.4
91.36903	0.5
93.07040	2.8
95.08608	2.9
97.06530	0.6
97.10127	1.8
103.03943	0.5
105.05496	0.8
107.08573	1.1
109.10133	1.1
113.05950	1.0
121.10118	1.3
129.88582	0.5
130.08707	0.6
131.07018	1.6
132.34050	0.5
135.11655	0.7
144.10173	8.8
162.11230	1.2
208.22710	0.6
236.14917	85.6
237.15187	1.3
255.61794	0.5
339.28989	0.7
438.39749	1.0
482.38419	20.4
483.38699	0.8
500.39450	100.0
501.39633	4.1
519.99585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88393	0.2
55.05509	1.0
57.07064	0.6
67.05502	3.3
68.05029	0.4
69.07065	1.0
70.06591	100.0
71.06915	0.5
71.08632	0.4
72.08162	0.4
79.05496	2.0
81.06609	0.3
81.07052	2.1
83.08593	0.6
85.06544	0.5
85.10206	0.2
91.05476	2.5
91.76828	0.2
93.07046	2.2
95.04972	0.3
95.08610	2.4
97.06573	0.3
97.10142	0.3
105.07032	1.5
107.08603	1.2
109.10173	0.8
112.09560	0.2
117.07017	0.6
119.08551	1.9
121.10149	1.8
123.11726	0.4
125.96023	0.2
128.07068	1.9
130.08640	93.3
131.08685	1.2
133.10120	1.7
135.11707	1.3
136.93178	0.2
137.09789	0.3
139.02380	0.2
145.10129	1.3
147.11685	0.7
148.06126	0.2
149.09587	0.4
149.13190	0.4
157.10161	0.4
159.11681	0.5
161.13278	0.6
163.11165	0.5
171.11719	0.7
175.14888	0.4
185.13283	1.0
189.12846	0.3
198.11334	0.9
205.34956	0.2
212.12883	0.4
240.16069	0.3
259.24350	0.3
273.25803	0.8
275.27557	0.4
278.17609	0.4
280.19086	0.8
287.27335	1.5
291.52393	0.2
292.19086	1.0
294.20630	1.0
306.20792	0.4
329.32092	0.4
343.33838	0.2
353.31882	1.4
371.33051	1.9
440.38895	2.2
479.42642	0.3
484.85980	0.3
500.41003	8.7
501.41165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.2
65.43852	0.1
69.03438	0.2
69.72659	0.2
70.06567	0.4
71.46073	0.1
72.08131	0.5
73.02901	0.3
73.08521	0.1
75.75616	0.2
77.20197	0.2
79.05479	0.2
81.03438	0.2
81.07069	0.2
85.02911	0.4
91.05478	0.3
93.07056	0.4
97.02907	0.4
98.12849	0.2
103.05415	0.2
105.07014	0.3
107.04935	0.2
107.08612	0.3
109.02915	0.2
114.05528	0.3
114.10332	0.4
116.07092	0.2
117.03384	0.7
118.03742	0.2
119.08611	0.4
121.06537	0.2
127.03908	0.2
128.19476	0.2
131.04939	0.7
131.08456	0.2
131.12953	0.2
132.05719	0.9
133.10104	0.2
135.76613	0.2
137.06003	0.6
140.03366	0.2
143.08507	0.2
145.02841	1.3
146.03171	0.8
147.03407	0.4
147.11682	0.2
149.06044	0.3
160.05229	0.5
161.05966	0.4
161.09529	0.2
163.07617	0.2
167.07045	0.6
175.11893	0.3
177.05438	2.2
178.05801	1.4
179.06026	0.6
180.07841	0.3
185.04211	12.1
191.07002	0.9
192.07793	3.5
207.06509	0.3
208.16646	0.2
211.08740	0.2
234.11317	0.5
235.11621	0.6
236.11911	0.5
253.14230	0.4
263.26843	0.2
267.15973	0.2
268.69766	0.2
285.16138	0.3
324.21893	0.3
338.03943	9.6
339.04742	6.8
339.08850	0.4
371.11401	0.4
375.05557	0.2
500.26544	2.5
501.10022	100.0
501.23087	4.8
502.10355	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75961	0.4
63.79456	0.3
64.45724	0.4
67.58572	0.3
69.03426	0.6
69.63432	1.4
72.08145	0.5
73.74965	0.3
80.32384	0.4
85.02908	0.9
86.09705	0.6
86.70029	0.4
97.02887	0.4
98.23473	0.7
105.07069	0.4
109.02859	0.6
118.03729	0.5
119.08607	0.6
121.06451	0.4
127.03928	0.6
129.47343	0.4
131.04962	0.6
136.07573	1.4
137.05934	0.6
137.37325	0.4
145.02875	1.2
146.03152	0.6
147.03317	0.6
147.11649	0.5
174.21796	0.4
177.05463	2.3
178.05798	1.1
179.06078	0.6
185.04199	6.5
192.07878	1.7
192.87369	0.4
199.07585	0.7
200.07909	0.4
234.11235	0.6
235.11679	0.9
290.05637	0.5
325.10150	0.4
335.12497	0.7
337.10498	0.5
338.03928	9.7
339.04727	11.0
340.05389	0.6
369.09875	0.5
380.07019	0.4
500.26566	2.3
501.10031	100.0
502.10535	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1371
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
52.95972	1.1
56.08370	1.2
59.69843	1.3
70.06590	2.9
70.40017	2.0
70.40334	1.4
83.93855	1.1
95.06683	1.1
98.97608	2.6
117.03362	2.9
118.18546	1.1
140.06778	1.5
145.02850	4.2
147.04425	1.5
176.13943	1.3
177.05420	6.2
180.68451	1.4
200.54883	1.4
231.49554	1.4
314.46884	1.2
322.92874	1.3
371.99182	1.2
501.13666	100.0
502.13889	4.8
513.38904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1736
Annotation	Sideroxylonal C
Peak:m/z	Relative Intensity
55.01858	0.6
55.05499	0.5
57.03427	0.8
67.05498	0.8
67.86968	0.4
69.03430	1.7
69.07059	0.5
70.06589	1.7
71.05000	0.7
71.22526	0.7
72.08157	0.5
73.02921	0.4
79.05483	1.0
81.03394	0.8
81.07050	1.6
83.04971	0.4
84.08134	0.9
85.02904	1.5
86.09689	0.9
89.03932	0.4
91.05468	1.3
93.07041	0.9
95.04956	0.4
95.08597	0.9
97.02904	1.1
97.06532	0.5
98.98448	0.6
99.08103	0.5
105.01862	0.4
105.07034	1.6
107.08584	0.9
109.10137	1.4
112.65443	0.5
115.03938	0.8
119.08585	1.1
121.10101	0.9
123.08096	0.6
123.11655	0.4
127.03924	1.0
131.08542	0.8
133.10143	0.8
135.11673	0.4
137.05984	0.9
145.02827	0.8
145.10132	1.3
145.12268	1.3
146.03162	0.5
155.01115	0.5
159.11700	0.5
171.11690	0.6
173.13385	0.5
175.07576	0.6
175.11880	1.5
177.05504	1.3
178.05862	0.7
181.08597	0.4
186.79764	0.4
189.14818	0.5
190.15279	0.7
192.07846	1.0
201.16405	1.0
215.06956	0.4
234.06715	0.4
235.13342	0.5
235.16760	0.5
259.19156	0.6
260.93686	0.5
263.06961	0.9
264.07867	0.5
277.08679	1.4
281.11984	0.4
291.19412	0.4
295.09848	0.7
323.09155	0.9
339.08606	1.1
351.08405	0.7
369.09662	2.9
501.17273	100.0
502.17404	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2457
Annotation	Arg Tyr Tyr
Peak:m/z	Relative Intensity
54.83422	0.4
56.40653	0.4
66.75101	0.3
69.07069	0.4
71.45961	0.5
81.07089	0.4
91.31362	0.4
131.07341	0.6
144.08162	0.4
198.12872	0.4
200.14238	0.5
223.44724	0.4
236.21236	0.4
248.67195	0.4
359.14722	1.0
389.22696	0.6
408.94836	0.5
416.27902	0.5
466.33188	0.8
484.34186	6.3
486.21857	1.2
501.24597	100.0
502.24899	3.9
502.35312	5.7
504.48703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3211
Annotation	Poricoic acid E
Peak:m/z	Relative Intensity
52.35239	1.1
53.03915	1.6
55.01857	2.8
55.05511	17.7
57.03424	1.4
57.07073	1.5
67.05502	16.3
69.03432	1.5
69.07056	8.4
71.04977	1.6
79.05485	15.0
81.07049	22.3
83.04976	2.4
83.08607	8.3
90.30798	1.2
91.05485	14.9
93.07041	11.9
95.04961	1.6
95.08595	13.7
97.10176	7.3
98.06552	1.0
105.07040	11.6
107.04979	1.7
107.08575	8.4
109.06516	4.3
109.10146	5.4
111.08024	1.3
113.07840	1.4
115.05496	1.7
117.06993	10.1
119.08556	8.3
121.10149	4.4
123.08042	2.9
125.09642	3.6
128.06201	4.2
129.06990	13.4
131.08551	12.2
133.10120	5.5
135.08073	2.3
135.11646	1.5
137.09601	1.5
141.07016	5.7
142.07762	3.5
143.08539	13.7
144.08884	1.2
145.06471	4.1
145.10123	11.9
147.08067	1.7
147.11690	1.9
153.07027	1.5
154.07672	1.7
155.08527	13.6
157.06509	1.5
157.10114	9.8
159.08055	4.5
159.11662	5.5
161.09598	1.9
163.11209	1.5
165.07021	3.1
166.07707	2.0
167.08540	7.0
168.09355	3.0
169.06577	2.1
169.10136	14.5
171.08029	5.6
171.11671	9.9
173.05986	1.6
173.09610	5.3
173.13239	3.5
179.08553	4.0
181.10101	8.9
183.08054	5.3
183.11685	11.5
185.09618	3.6
185.13255	5.2
187.07654	1.5
187.11201	4.4
193.10165	2.5
193.12119	1.6
195.08060	2.4
195.11716	9.0
197.09602	3.6
197.13245	5.4
199.11171	4.7
199.14748	3.0
201.12711	1.5
205.10164	3.3
207.11681	3.0
209.09720	1.9
209.13249	5.6
211.11168	5.4
211.14844	2.0
213.09154	1.3
213.12764	3.4
219.11702	1.7
221.13200	3.9
223.11166	2.1
223.14815	3.7
225.12720	3.4
225.16342	1.8
233.13177	2.6
235.14854	2.7
237.12811	2.0
237.16344	1.8
239.17915	1.5
247.14827	1.5
251.14180	1.8
253.12553	1.4
259.14499	1.3
275.14301	1.4
279.17197	1.2
281.18933	2.0
285.18600	1.4
293.18860	2.6
295.20386	1.4
297.18332	2.2
299.20160	1.3
305.18851	1.5
309.00064	1.2
309.21851	1.8
311.20044	3.9
313.21506	2.6
321.18533	2.7
323.19897	3.7
335.20023	3.0
339.19507	4.6
341.21170	3.4
349.21619	1.9
353.21042	4.4
357.20486	2.2
364.47705	1.3
367.22577	2.0
397.23520	1.5
401.28174	5.1
403.30087	2.0
409.30930	2.0
411.26318	1.7
419.29501	17.9
421.31000	3.1
429.27936	9.7
437.30414	11.3
439.31995	2.0
447.28912	66.6
448.29239	2.6
455.31528	9.2
457.33112	3.5
465.29971	100.0
466.30212	4.2
467.92664	1.6
483.31058	50.7
484.31305	2.6
501.25732	1.4
501.32019	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
60.05634	0.8
67.05492	1.2
69.07073	0.8
69.38064	0.9
69.38338	3.8
70.06590	3.0
72.08146	1.0
75.37096	0.7
79.05492	1.2
81.03422	0.8
81.07059	2.3
84.08089	0.7
85.02912	1.5
86.09714	5.1
90.09189	1.1
91.05476	2.9
93.07072	1.0
94.04227	0.8
95.04972	1.7
95.08603	1.4
97.02897	0.7
97.06531	1.5
103.05482	1.4
105.07027	2.0
109.06467	1.1
115.05475	0.9
116.07045	1.0
116.48202	0.7
119.04950	1.6
119.08576	0.9
120.08090	1.2
121.10120	0.9
122.03661	2.9
125.06006	0.9
127.03922	1.1
137.05984	43.8
145.02942	0.8
145.06493	1.9
145.10179	1.0
147.04420	3.0
147.11710	0.8
151.03932	3.2
158.03673	1.4
159.08015	0.8
159.09196	0.7
161.05975	3.3
162.06750	1.1
169.12396	0.7
173.05975	4.0
174.06323	1.6
175.07573	0.9
175.11896	2.3
178.07681	1.9
186.03163	1.8
189.07007	2.6
191.08638	1.3
201.05464	39.7
205.06445	5.3
206.07239	3.9
209.28996	0.9
213.05461	5.6
217.06519	2.5
218.07254	1.9
219.08032	1.4
221.09494	1.0
222.06796	2.0
223.07492	1.3
231.06335	3.9
233.05894	5.0
234.06728	14.3
235.07452	2.6
237.09148	2.6
244.05260	0.9
245.06004	3.9
246.06638	0.7
247.07643	1.4
248.08383	1.3
249.05534	1.1
249.09019	4.6
250.06250	3.0
251.06960	2.4
259.07507	0.9
261.05542	2.0
262.06241	15.9
263.07053	3.9
264.07843	1.6
265.08636	5.4
266.09393	1.5
273.05457	3.1
274.06219	1.3
276.07907	2.0
277.08597	16.9
278.05731	1.7
278.08835	0.9
279.06500	2.3
279.09915	0.8
287.06976	2.7
288.07819	1.1
289.04913	1.7
290.05695	27.0
291.06348	2.1
291.10150	1.4
292.07285	3.2
293.08118	5.4
294.08795	3.7
295.06262	0.8
295.09583	2.4
304.07050	1.6
305.08069	42.2
306.08597	1.6
307.06238	1.4
307.09576	7.4
309.11115	2.5
319.09717	4.4
322.08331	3.3
325.10715	20.8
337.10687	100.0
338.11063	3.4
355.11789	13.8
502.10110	1.6
502.16769	1.2
502.23801	2.7
503.19565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01874	3.3
55.05512	9.3
57.03440	5.5
57.07082	2.5
61.02928	1.6
65.03941	2.0
67.05499	27.4
67.05861	1.7
69.03421	15.7
69.07063	10.9
69.11626	1.5
69.26944	6.8
71.04988	10.6
77.03935	2.3
79.05485	20.5
81.03415	7.6
81.07052	63.3
83.04963	1.7
83.08618	3.1
85.02901	38.9
85.06544	2.0
86.86759	1.7
87.00826	17.3
91.05473	23.2
93.07045	52.5
95.04961	11.9
95.08603	43.9
97.02892	15.3
97.06543	8.4
97.10166	1.7
99.04464	5.9
103.05513	1.5
105.01864	39.3
105.02528	2.7
105.04558	1.7
105.07026	73.4
106.07454	1.6
107.08588	57.7
109.02903	11.3
109.06528	7.6
109.10152	31.9
111.08092	5.8
112.49192	1.4
114.28481	1.4
115.03918	1.5
117.01920	1.6
117.06977	11.5
119.06152	2.0
119.08573	51.4
119.09417	2.5
121.06546	4.7
121.10135	27.6
123.08095	5.3
123.11706	8.6
125.09651	2.0
127.03900	26.5
128.06332	1.9
129.07057	4.6
130.07826	5.9
131.08559	29.8
131.09445	2.0
133.10133	18.9
135.08049	3.7
135.11691	31.0
135.12654	2.7
143.08612	5.1
144.09346	5.3
145.04967	14.8
145.10121	83.3
146.10823	2.6
147.11697	14.4
149.09651	6.3
149.13243	30.9
151.58977	1.5
157.10149	3.2
158.10936	2.6
159.02867	3.4
159.11691	59.1
161.13242	53.9
163.11189	13.7
163.14824	20.3
171.11609	2.8
173.13272	18.5
174.13617	1.7
175.14853	6.7
177.12743	2.3
177.16405	2.2
189.04028	1.6
189.16399	1.5
191.17967	9.3
199.14801	1.9
201.16377	100.0
202.16660	1.9
213.16393	1.8
216.52373	1.8
219.17439	31.3
225.96727	1.4
231.04984	10.6
249.05981	8.9
309.18423	2.2
377.24405	1.8
431.20956	2.3
478.19791	1.8
502.31638	6.3
502.47931	1.6
503.26062	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.59363	1.8
54.75164	2.3
55.01862	9.0
55.05508	71.5
57.03426	9.1
57.07065	7.9
58.66114	2.0
59.04997	6.1
65.03917	2.3
67.05501	100.0
69.03416	7.6
69.07059	20.4
69.75240	1.6
69.75750	1.7
70.00014	6.2
70.06576	9.0
71.01368	4.0
71.04977	6.0
73.02898	5.7
79.05043	2.8
79.05489	40.5
81.03417	18.2
81.06563	3.2
81.07046	62.9
83.04977	14.4
83.08612	32.4
85.02899	25.2
85.06532	12.5
87.04467	13.4
91.05479	36.2
93.07040	29.3
95.04958	13.1
95.08595	23.7
97.02892	4.0
97.06508	12.9
97.10166	53.2
98.23040	6.0
103.03905	3.5
105.07018	13.2
107.04910	3.7
107.08588	31.0
109.06512	5.7
109.09410	4.1
109.10150	67.2
109.10888	3.5
111.04430	2.1
111.08076	10.7
117.06993	8.9
119.08564	14.2
121.06499	3.7
121.10127	9.0
123.08068	3.7
125.09621	60.7
127.07594	4.4
129.06966	4.4
130.08656	6.0
131.08521	12.5
133.10118	67.4
135.08052	4.9
135.11681	14.1
137.09644	4.9
143.10693	10.5
145.10106	8.2
147.08038	3.5
147.11674	3.4
149.09612	15.5
149.13246	19.6
153.09091	5.0
153.12741	5.5
155.10631	12.8
157.12227	4.6
159.11595	11.3
163.11209	15.0
171.10132	8.4
171.11545	2.3
173.09549	3.7
173.11720	53.7
177.12740	8.5
181.12248	6.1
186.96758	2.1
187.13261	6.3
189.11227	7.4
191.10649	5.9
193.12280	5.8
195.13782	42.4
195.15564	3.1
198.87485	2.0
199.13223	3.8
209.11739	14.7
213.14864	7.5
227.12740	11.7
227.16377	5.2
337.19888	2.3
371.76846	2.1
388.68295	2.3
389.26715	2.1
502.34167	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3524
Annotation	Vicenistatin M
Peak:m/z	Relative Intensity
55.01846	0.6
55.05510	3.2
55.27055	0.5
67.05502	2.9
69.07079	3.1
69.15727	2.5
69.16128	1.2
73.45567	0.6
73.86652	0.6
79.05508	0.6
81.03380	0.8
81.07047	2.4
83.08631	0.7
90.46914	0.6
91.05484	0.9
93.07044	0.7
95.08620	2.1
98.22669	0.9
102.26164	0.6
105.07025	0.6
109.10139	1.4
115.05466	0.8
130.06531	1.6
131.07309	7.5
143.07280	1.4
144.08092	6.5
145.08865	5.2
146.09651	1.2
156.08066	3.7
157.08881	2.0
158.09637	5.5
159.10461	1.1
168.08066	1.3
169.08896	1.3
170.09676	3.7
171.10448	1.7
172.11221	2.3
173.12053	0.7
182.09666	1.4
183.10312	0.6
184.11200	4.4
185.11966	2.1
186.12750	1.5
191.04442	0.6
196.11180	1.0
197.12041	1.2
198.12749	4.5
199.13548	1.3
200.14331	1.0
212.14365	4.2
214.15968	0.6
219.02742	0.6
226.15895	3.6
228.17502	2.8
240.17506	2.4
254.19102	1.3
256.17017	7.3
268.17020	5.5
268.20679	1.0
270.18597	1.4
273.17233	1.3
274.18021	8.1
282.18539	2.2
282.21884	1.4
284.44110	0.8
286.17975	7.8
287.18701	1.7
288.19534	1.2
294.18457	1.6
296.20200	0.8
298.18030	1.6
300.19565	3.8
308.20184	1.2
310.18402	0.6
310.21698	2.5
312.19568	5.6
314.21219	1.9
322.21841	2.2
326.21100	5.9
327.22000	0.7
328.22653	4.8
340.22733	6.5
342.24219	2.0
352.26477	1.7
354.24255	0.9
366.22455	0.6
370.27466	0.7
380.25955	2.5
396.25281	0.8
398.26846	7.7
410.26770	0.9
414.26169	1.1
416.27927	8.2
420.97208	1.0
428.27872	1.2
438.33734	0.9
442.29721	0.9
448.32239	2.1
466.33139	16.5
467.33447	0.7
482.32739	1.1
484.34219	100.0
485.34506	3.6
502.24899	28.8
502.35248	90.7
503.24994	1.0
503.35483	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
55.21938	0.4
57.07075	0.7
63.44474	0.5
67.05502	2.7
68.05034	0.5
69.07068	0.7
70.06589	100.0
71.08646	0.8
74.35153	0.5
79.05515	2.2
81.07052	2.1
91.05480	1.7
93.07047	2.2
95.08601	1.5
98.23176	0.7
105.07014	0.9
106.87123	0.5
107.08572	0.7
117.07053	0.7
119.08553	0.8
121.10139	1.4
128.07126	0.8
130.08636	65.3
130.22838	0.5
131.08563	0.9
131.21265	0.5
135.11684	1.3
145.10159	0.9
149.09612	0.5
167.01384	0.5
194.54787	0.4
197.07329	0.5
200.72287	0.5
258.27856	0.5
274.58548	0.5
319.37131	0.5
355.33389	1.2
373.34659	0.8
416.56589	0.5
442.40048	1.5
502.42477	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	3.4
55.05510	2.5
57.03428	2.4
59.05000	1.5
61.02925	2.0
67.05495	5.2
69.03419	8.1
69.07056	3.9
70.06582	10.7
71.04977	3.8
79.05488	5.2
81.03412	5.0
81.07042	9.1
82.12160	1.5
83.04974	2.5
85.02901	21.9
85.06538	1.5
87.00826	2.2
91.05479	6.3
93.07050	9.4
95.04965	4.9
95.08597	8.7
97.02898	6.6
97.06518	3.0
97.10126	1.5
99.04465	2.8
100.11253	3.2
103.05449	5.7
105.01862	2.2
105.07026	12.8
106.07373	2.2
107.04964	2.5
107.08591	6.2
109.02862	4.3
109.10175	9.0
110.10516	2.8
111.04459	1.7
111.08106	2.0
112.07607	5.2
113.95686	1.8
115.05437	2.8
117.07001	3.5
119.08585	9.8
120.08882	1.9
121.10110	4.7
123.04425	23.2
127.03873	6.8
129.07037	4.3
130.04137	1.8
131.04929	7.6
131.08575	4.9
133.02890	1.7
133.10143	7.4
135.04408	59.0
135.11652	3.4
137.02359	2.0
137.05934	1.9
145.04950	2.8
145.06505	2.8
145.10149	9.5
146.10492	3.2
147.04369	2.8
147.11646	2.6
149.05945	3.5
149.09680	1.8
149.13316	2.1
151.03931	2.3
157.06519	3.3
159.03091	2.7
159.04408	18.1
159.11710	4.4
160.05197	9.5
161.05983	6.7
163.03853	11.6
173.06006	4.2
175.07497	2.6
175.14812	1.6
179.03484	2.2
185.05984	4.5
185.24597	1.4
187.03882	1.9
187.07564	2.7
190.07773	3.4
191.08578	15.6
201.05397	2.2
201.16400	5.9
202.16754	4.5
203.07021	29.6
203.17905	1.8
210.14841	3.5
213.05537	3.5
218.07253	2.2
219.08055	25.4
219.17453	5.2
220.17676	1.5
229.06482	3.2
231.06548	8.5
247.07532	24.6
248.93834	1.5
249.09042	4.9
257.05972	3.4
259.07538	21.8
263.06873	2.6
265.08646	2.4
275.07034	8.7
277.08539	22.0
287.07129	7.2
293.08029	3.3
293.21091	2.8
295.09476	2.5
305.08044	100.0
306.08344	1.9
323.09103	44.0
341.05988	2.7
341.10175	54.4
342.10614	2.2
359.21848	2.0
399.16135	1.6
417.21042	2.8
455.82764	1.5
459.22049	7.8
460.22766	1.8
503.21024	22.1
503.24686	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	3.4
55.05510	2.5
57.03428	2.4
59.05000	1.5
61.02925	2.0
67.05495	5.2
69.03419	8.1
69.07056	3.9
70.06582	10.7
71.04977	3.8
79.05488	5.2
81.03412	5.0
81.07042	9.1
82.12160	1.5
83.04974	2.5
85.02901	21.9
85.06538	1.5
87.00826	2.2
91.05479	6.3
93.07050	9.4
95.04965	4.9
95.08597	8.7
97.02898	6.6
97.06518	3.0
97.10126	1.5
99.04465	2.8
100.11253	3.2
103.05449	5.7
105.01862	2.2
105.07026	12.8
106.07373	2.2
107.04964	2.5
107.08591	6.2
109.02862	4.3
109.10175	9.0
110.10516	2.8
111.04459	1.7
111.08106	2.0
112.07607	5.2
113.95686	1.8
115.05437	2.8
117.07001	3.5
119.08585	9.8
120.08882	1.9
121.10110	4.7
123.04425	23.2
127.03873	6.8
129.07037	4.3
130.04137	1.8
131.04929	7.6
131.08575	4.9
133.02890	1.7
133.10143	7.4
135.04408	59.0
135.11652	3.4
137.02359	2.0
137.05934	1.9
145.04950	2.8
145.06505	2.8
145.10149	9.5
146.10492	3.2
147.04369	2.8
147.11646	2.6
149.05945	3.5
149.09680	1.8
149.13316	2.1
151.03931	2.3
157.06519	3.3
159.03091	2.7
159.04408	18.1
159.11710	4.4
160.05197	9.5
161.05983	6.7
163.03853	11.6
173.06006	4.2
175.07497	2.6
175.14812	1.6
179.03484	2.2
185.05984	4.5
185.24597	1.4
187.03882	1.9
187.07564	2.7
190.07773	3.4
191.08578	15.6
201.05397	2.2
201.16400	5.9
202.16754	4.5
203.07021	29.6
203.17905	1.8
210.14841	3.5
213.05537	3.5
218.07253	2.2
219.08055	25.4
219.17453	5.2
220.17676	1.5
229.06482	3.2
231.06548	8.5
247.07532	24.6
248.93834	1.5
249.09042	4.9
257.05972	3.4
259.07538	21.8
263.06873	2.6
265.08646	2.4
275.07034	8.7
277.08539	22.0
287.07129	7.2
293.08029	3.3
293.21091	2.8
295.09476	2.5
305.08044	100.0
306.08344	1.9
323.09103	44.0
341.05988	2.7
341.10175	54.4
342.10614	2.2
359.21848	2.0
399.16135	1.6
417.21042	2.8
455.82764	1.5
459.22049	7.8
460.22766	1.8
503.21024	22.1
503.24686	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	1.0
56.96563	16.5
58.61370	0.5
65.56311	0.5
66.72940	0.5
69.03416	0.7
70.06581	2.4
70.74469	1.2
72.08144	1.5
73.24701	0.5
75.24126	0.6
79.05493	0.9
79.92925	0.5
81.03416	0.6
83.06080	1.0
84.04505	0.6
84.08149	1.6
84.96032	1.9
85.02896	1.6
86.09696	2.7
87.10049	0.5
94.88319	0.5
95.04974	1.1
95.06092	14.0
97.02859	0.6
98.97581	100.0
105.07011	0.9
106.06548	2.2
110.97561	2.7
112.99138	2.4
113.07123	8.4
115.00715	1.0
116.98622	37.0
117.99052	0.6
119.08554	0.7
124.99087	3.2
128.98608	3.4
131.00203	3.1
134.98676	0.9
134.99635	6.8
136.13618	0.5
140.00237	1.0
143.00153	7.0
146.06007	4.7
146.99690	0.8
149.01180	1.4
157.01733	1.3
158.99654	28.1
160.07564	1.6
161.01234	3.4
167.03903	0.6
170.99629	0.7
173.01277	1.1
175.02773	1.2
177.00703	21.7
181.05315	0.7
188.07056	2.6
189.00667	0.7
192.06509	2.8
195.01758	1.0
197.04855	1.1
199.06447	0.9
200.02264	0.6
201.04332	0.7
201.07771	0.7
205.05309	1.1
205.75848	0.5
209.04875	0.7
211.06462	1.7
213.07893	0.7
219.01738	3.9
219.06973	1.8
223.06418	2.0
225.07997	1.8
229.07425	1.3
234.07664	2.0
237.02769	4.3
237.07933	3.5
239.09477	1.1
241.07481	1.0
245.08574	2.4
249.08014	0.6
251.09645	0.7
255.08980	1.8
260.16156	0.7
263.09546	15.9
264.10071	0.6
265.11096	3.2
275.12357	2.5
279.09003	1.1
281.10580	18.3
281.13702	0.9
299.11624	8.6
305.10526	1.4
323.11612	12.5
335.09430	0.8
341.12631	4.3
341.20630	2.8
368.44858	0.6
401.14539	0.7
443.15833	14.3
461.16934	51.4
462.18195	1.1
484.18497	2.4
485.18289	0.6
502.30051	0.6
503.17957	67.3
503.25931	21.3
504.18427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01867	1.2
57.03430	1.9
61.02934	2.1
61.68880	0.4
66.04713	0.5
69.03434	7.9
69.07076	0.4
69.28965	2.0
71.04977	0.9
73.02933	1.0
79.05476	1.7
80.59216	0.4
81.03417	3.2
81.07046	1.7
82.08275	0.4
85.02910	17.4
87.04469	1.2
91.03957	0.9
91.05476	4.0
93.07047	0.5
94.04197	2.8
95.04951	0.7
97.02898	5.8
97.06534	0.7
99.04465	1.1
103.05479	2.9
105.03369	0.5
105.07032	3.5
107.04956	1.3
107.08573	0.6
109.02882	1.8
109.06500	2.0
115.04045	0.6
115.05465	2.3
117.03357	0.5
117.07009	1.4
118.04177	0.5
119.08595	3.6
121.10111	0.4
122.03638	6.8
127.03937	3.2
128.06216	2.1
129.07005	1.8
131.04935	4.9
131.08556	0.5
132.05728	2.7
133.06503	2.3
133.10114	0.8
137.05980	100.0
138.06319	1.5
141.06952	0.7
143.04890	0.7
144.05655	0.5
145.04942	1.6
145.06514	0.9
145.10155	0.7
146.03654	0.8
147.08029	3.2
149.05980	1.6
151.07581	0.6
155.06075	0.6
157.06418	0.5
159.08058	1.6
160.05229	1.4
161.05978	9.7
162.06625	0.4
163.07550	8.4
165.07007	0.6
169.06473	0.8
171.08043	1.3
172.05211	0.5
175.07545	44.9
177.05388	0.5
179.07018	0.6
184.05280	1.0
185.06042	0.6
186.06808	1.0
187.07556	5.7
189.07043	0.7
189.08952	0.5
190.07771	2.0
190.90869	0.5
191.08530	4.0
199.07552	13.8
201.05469	1.2
201.09132	1.4
202.05936	1.0
202.07768	2.9
203.08537	6.4
205.06526	0.7
207.07930	0.9
217.06261	0.5
218.07288	1.3
219.08058	8.2
220.08774	2.4
221.09644	0.5
223.17091	0.5
230.07204	0.6
231.08054	7.0
232.08849	1.6
234.06656	0.6
235.07408	1.3
236.08301	1.4
237.09044	0.8
246.06847	0.5
247.07489	4.0
248.08284	3.9
249.09036	0.9
250.10004	0.6
251.10669	10.3
259.07489	4.7
259.09665	0.6
260.08435	2.1
261.09158	1.3
262.09909	0.5
263.06656	0.4
263.10660	3.7
264.07886	1.2
265.08572	1.2
275.07120	0.7
276.07794	2.1
277.08597	2.7
278.09137	0.8
279.10153	8.8
280.10748	0.9
281.08093	1.1
290.09076	0.4
291.06714	0.8
291.10175	10.3
292.10916	3.2
293.08118	1.4
293.11462	0.8
295.13281	2.0
296.10422	1.4
306.08423	1.1
307.09439	0.6
308.10376	1.7
311.12778	23.4
312.13116	0.5
323.08929	1.0
323.12778	18.1
324.13162	0.6
325.14310	1.5
338.10925	2.5
364.85434	0.4
453.29077	0.4
503.19025	1.7
503.32175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01871	2.5
55.05506	4.4
57.03423	2.0
57.07065	1.7
58.69303	0.4
67.05495	5.9
69.03413	0.7
69.06744	0.5
69.07072	4.5
69.98479	0.9
70.06577	1.2
71.04987	0.8
71.08627	5.4
75.04510	0.4
77.03909	0.5
79.05485	4.6
81.07050	9.8
83.04961	1.3
83.08617	1.8
85.06522	0.7
91.05470	4.5
93.07047	7.3
95.04960	5.1
95.08604	6.0
95.44439	0.4
97.06532	2.2
97.10114	0.6
98.22812	0.6
98.98462	2.6
99.08074	3.3
104.99299	0.7
105.07028	6.4
107.08582	5.1
109.06516	8.1
109.10147	1.9
111.08099	0.8
113.00008	100.0
117.07006	1.9
119.08575	5.4
121.06505	6.4
121.10098	2.4
123.08052	2.3
123.11677	1.1
125.09607	0.6
129.07033	0.8
130.08667	0.6
131.08545	3.2
133.10124	4.2
135.08061	3.1
135.11679	1.1
137.09628	0.7
143.08574	1.6
145.06464	0.7
145.10132	2.5
147.08052	1.6
147.11624	2.2
149.09622	1.3
149.13255	1.3
151.11211	0.5
155.08524	0.6
157.10135	1.5
159.08005	0.8
159.11671	2.6
161.09613	1.1
161.13269	1.4
163.11169	3.6
165.12743	22.7
169.02600	9.3
169.10118	0.6
171.11676	0.7
173.13271	1.0
175.14870	0.7
177.12747	1.1
179.10732	0.4
179.14322	1.8
180.00130	0.4
183.11841	0.5
185.13260	1.5
187.03650	16.5
187.11156	0.6
187.14821	0.7
189.16455	0.5
191.14319	5.5
197.13304	0.5
197.35236	0.4
201.12718	0.6
201.16321	0.9
203.14319	1.2
205.15842	0.4
215.17883	0.4
219.17401	2.6
231.15862	0.9
233.18974	1.0
236.08630	0.5
249.18503	0.9
257.18945	1.1
259.17242	0.4
261.18500	1.0
269.17615	0.5
275.20010	2.8
277.32117	0.4
279.19275	0.7
285.39401	0.5
289.25232	2.4
291.19464	0.8
299.23645	0.8
317.24728	28.7
318.25189	0.9
327.26736	0.6
329.24765	0.6
331.26309	3.6
335.25790	1.1
337.29062	0.4
339.19302	0.8
347.25735	2.8
355.26324	3.4
363.15732	0.7
371.05774	0.4
373.27377	9.9
391.28397	21.6
392.28906	0.9
405.29996	0.7
420.97321	0.4
457.04727	0.5
485.26544	7.7
485.32977	0.8
486.26401	0.7
503.27872	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2985
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
55.01865	0.6
55.05508	1.8
67.05503	3.5
70.06581	3.4
71.46215	0.6
73.27567	0.7
79.05476	3.1
81.03426	0.7
81.07072	5.2
91.05511	1.8
93.07062	1.8
95.04975	1.4
95.08608	1.4
97.06573	0.6
97.95920	0.6
104.99276	1.3
105.07039	2.4
107.08608	1.7
109.06522	2.6
109.10173	0.9
109.70146	0.5
117.07056	0.8
118.70690	0.6
119.08579	2.1
121.10133	0.9
122.53677	0.5
129.06992	1.0
130.08662	1.5
131.08572	1.8
133.10168	1.1
143.08578	1.0
145.10170	1.2
147.08029	0.6
155.08586	0.6
157.10150	0.9
159.11780	1.1
183.15285	0.6
187.11223	0.8
195.09906	7.1
299.06238	0.9
313.17703	4.3
331.18787	1.9
338.96881	1.2
340.11383	0.8
398.61148	0.6
449.30194	0.9
467.31290	1.7
485.32303	2.6
503.29773	100.0
504.30188	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01876	2.1
55.05509	5.6
55.05744	1.3
57.03422	1.8
57.07070	1.2
59.37422	1.2
59.51427	1.1
61.02923	1.7
64.78592	1.1
65.03938	1.4
67.05508	10.1
69.03440	7.0
69.07057	10.2
69.23697	7.1
70.06589	1.6
71.04987	2.0
79.05500	8.2
81.03417	3.8
81.07059	31.7
83.08622	4.8
85.02905	16.5
85.06577	1.7
87.00819	7.1
91.05470	11.4
93.07042	20.8
95.05006	1.5
95.08604	37.0
97.02884	8.0
97.06538	4.5
97.10171	2.0
99.04476	1.8
100.11283	1.5
105.01863	20.5
105.07027	26.7
105.18697	1.4
107.08593	29.8
108.08920	1.7
109.02879	4.8
109.10152	30.8
111.08103	2.2
111.11703	2.0
111.62783	1.3
113.09637	1.7
118.77477	1.3
119.06086	1.8
119.08583	28.7
121.10130	14.2
123.11706	9.1
127.03925	12.6
127.11183	1.7
131.08531	1.8
133.10126	25.8
135.11691	29.6
137.05954	4.4
138.06401	1.8
145.04977	8.5
145.06024	1.9
145.10135	3.5
147.11691	38.9
149.13249	4.8
153.12740	5.6
159.02919	1.2
161.13251	13.5
163.14833	2.1
165.09219	1.3
175.14828	5.5
189.03723	1.6
201.16344	1.3
203.17947	100.0
204.10124	1.4
204.18323	2.6
214.18036	2.8
221.18954	16.8
231.05019	6.0
249.06038	6.1
284.09671	2.0
414.22681	3.7
436.59540	1.3
460.23334	8.6
504.25867	4.2
504.36417	2.4
505.27792	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05505	6.0
57.03437	2.5
58.39692	1.3
59.66877	1.2
67.05504	12.9
67.27951	1.6
69.03439	7.6
69.07063	6.2
71.04991	1.9
72.08812	1.3
73.02917	1.8
78.00951	1.4
79.05497	6.7
81.03418	4.8
81.06619	2.6
81.07055	29.3
83.08614	4.8
85.02911	17.1
85.06551	1.6
87.00826	6.4
91.05475	12.1
93.07045	20.7
93.58556	1.4
95.08604	43.9
96.06498	1.5
97.02886	7.9
97.06541	5.0
97.10144	2.0
99.04443	3.0
105.01859	15.5
105.07031	32.9
107.08593	36.6
108.52549	1.3
109.02853	5.8
109.10157	33.0
111.08107	1.7
117.07014	2.2
119.08575	32.7
121.10165	14.1
123.11700	9.4
127.03893	14.5
127.11229	2.5
131.08546	3.1
133.10124	26.7
133.65863	1.5
135.11693	27.1
137.05928	2.6
145.04968	9.0
145.10139	2.5
147.11687	36.5
149.13254	5.3
153.12759	4.1
157.10074	1.6
161.13303	12.2
165.12776	1.9
175.14838	7.4
203.17946	100.0
204.18364	2.1
214.18073	2.2
221.18993	14.1
231.04935	7.1
249.06023	5.7
284.09808	2.6
414.22699	1.9
460.23343	6.7
497.76923	1.6
504.25803	6.1
505.27655	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01872	1.9
55.05505	13.6
58.74606	1.2
61.02911	2.3
65.03921	2.8
67.05159	2.3
67.05502	39.0
69.03439	8.1
69.07063	13.2
69.26520	4.7
69.26931	2.5
71.04984	1.9
77.03905	1.9
79.05494	27.0
81.03424	6.3
81.07056	88.4
83.08607	4.0
85.02910	24.8
87.00831	12.9
91.05476	36.3
93.06443	2.1
93.07041	56.5
95.04963	6.2
95.08604	95.3
96.08916	1.4
97.02890	12.5
97.06526	1.9
97.10180	2.0
99.04447	4.1
101.22184	1.2
105.01874	19.7
105.04553	1.6
105.07026	90.7
107.08591	86.5
109.02862	8.4
109.06509	1.8
109.10154	64.7
111.11705	1.4
111.26100	1.4
117.07015	2.1
119.08580	61.0
121.10140	32.7
123.11684	13.4
124.53277	1.2
127.03912	20.6
131.08533	1.8
133.10124	43.6
133.11139	2.1
135.11685	20.2
145.04933	12.9
145.10147	3.8
147.02850	1.7
147.11685	73.0
149.13242	3.2
159.02882	5.8
159.11661	2.1
161.13257	23.3
163.14816	17.3
175.14783	10.2
177.16425	1.6
203.17941	100.0
204.18326	1.7
221.19008	4.5
231.05037	7.2
236.15948	1.3
238.21646	1.9
249.06020	2.8
263.34909	1.3
284.09811	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65423	1.5
53.03953	2.8
53.73488	1.6
55.01860	4.2
55.05511	12.1
55.69393	1.7
56.00617	1.9
59.04993	3.2
67.05501	23.6
69.03412	1.7
69.07060	13.7
69.80535	3.2
77.03896	2.5
79.05483	14.0
81.07055	55.1
83.04979	2.3
83.08616	7.2
84.51937	1.7
85.02871	2.8
85.06531	2.0
85.52582	1.5
91.05480	28.8
93.07042	100.0
95.04968	10.3
95.08604	40.3
97.02897	1.6
97.10172	3.9
98.22750	3.0
105.01846	2.8
105.04515	2.8
105.07024	39.0
107.08591	42.7
109.02888	1.7
109.06538	2.2
109.10149	56.4
111.08065	28.8
119.08577	30.1
121.10128	24.1
123.11703	11.2
125.09637	3.0
133.10129	22.3
135.11688	49.6
147.11670	38.4
149.13211	3.3
161.13264	15.1
163.14842	5.7
165.12746	4.4
175.14801	4.7
203.17950	39.9
221.19090	9.0
224.64549	1.6
452.09082	1.8
504.29355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.05512	13.7
57.03424	4.3
61.01087	4.0
67.05496	28.1
69.03420	12.7
69.07063	17.1
69.49623	3.7
69.57635	14.8
75.72733	4.1
79.05499	9.9
81.03428	12.3
81.07053	47.1
83.05007	4.8
83.08625	11.0
85.02897	21.9
87.00821	12.1
91.05466	20.5
93.07040	71.8
95.04969	4.8
95.08611	45.2
97.02888	12.9
97.90474	4.3
99.04424	4.8
105.01839	12.2
105.07027	54.5
107.08590	46.0
109.02893	7.9
109.10151	100.0
111.08065	6.5
119.08589	52.2
121.10133	27.3
123.11733	12.5
125.09676	7.7
127.03928	19.6
133.10106	23.6
135.11697	52.0
145.05029	5.4
145.10054	4.5
147.11676	54.9
149.13258	4.3
159.02928	5.7
159.11740	5.9
161.13278	26.2
175.14868	7.3
203.17963	89.1
221.19034	15.7
231.17732	4.3
285.84833	5.6
302.83429	4.7
504.21368	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52250	1.5
52.31863	1.4
53.03941	10.8
55.01872	9.6
55.05503	11.3
57.03429	5.7
59.05029	1.5
61.02924	4.2
61.59775	1.6
62.63776	1.6
65.03950	2.5
67.05503	26.1
68.99789	2.8
69.03426	23.3
69.07059	9.0
71.01366	1.6
71.04996	5.0
73.02911	7.6
75.09248	1.5
79.05489	16.8
81.03412	32.4
81.03898	2.0
81.07059	54.0
81.07558	2.6
83.01358	1.3
83.08624	3.0
85.02904	68.9
87.00826	30.4
89.96148	1.6
91.03965	2.1
91.05478	22.9
93.07041	46.6
95.04968	5.0
95.08603	68.1
97.02896	28.0
97.10163	2.0
99.04448	13.9
105.01875	23.2
105.04501	2.2
105.07024	62.1
107.08591	69.6
109.02872	26.7
109.06526	3.4
109.10152	57.0
115.03971	1.8
117.01847	3.9
117.06960	2.4
119.08572	40.5
121.10144	19.8
122.10463	1.4
123.11725	11.0
127.03907	45.5
129.01871	4.2
129.09586	1.5
131.08569	2.3
133.10118	28.1
135.11685	19.5
138.49049	1.5
145.04965	23.3
145.10109	4.1
147.02895	3.9
147.11679	50.1
149.13264	4.8
151.11192	2.4
151.63560	1.5
159.02878	19.3
159.11693	4.5
161.13272	16.9
163.14825	7.0
173.15718	1.4
175.14803	8.7
203.17944	100.0
204.18350	2.1
205.19569	2.4
213.04007	2.5
215.17897	2.0
221.19008	6.7
231.05035	7.6
402.25983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.05502	19.0
59.80723	4.5
67.05504	36.3
69.03436	18.4
69.07072	21.1
69.52271	9.9
79.05505	32.8
81.03418	10.7
81.06579	4.9
81.07058	97.1
83.08600	4.0
85.02921	40.7
87.00842	13.8
91.05476	30.9
93.07047	48.1
95.08611	100.0
97.02895	21.0
105.01860	31.0
105.07037	71.8
107.08596	51.5
109.02887	8.7
109.06488	4.4
109.10172	74.2
111.11726	5.0
118.26535	3.8
119.08606	56.9
121.10162	26.6
123.11726	11.6
125.09653	4.3
127.03919	29.5
133.09314	4.0
133.10147	28.1
135.11664	14.7
145.04996	16.3
145.10124	5.7
147.11688	64.0
149.13257	8.0
161.13261	16.0
166.84918	4.5
175.14870	11.8
198.66490	3.6
203.17958	85.8
205.19505	7.4
221.19057	11.8
231.05035	7.4
249.06017	5.4
335.09314	5.7
363.08533	9.3
382.10156	4.1
403.08649	4.2
463.08289	8.3
481.09891	10.9
492.39377	4.2
504.26468	17.1
504.32999	11.2
505.27582	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.4
57.07069	2.7
57.08353	2.2
62.29721	2.2
66.01871	2.0
67.05501	9.8
69.03433	9.3
69.07069	26.6
71.04996	5.8
79.05500	8.6
81.03411	5.9
81.07056	100.0
83.08615	2.0
85.02907	32.0
87.00811	13.5
91.05493	3.4
93.07057	8.3
95.04962	2.7
95.08613	44.7
97.02880	13.4
99.04498	3.4
105.01865	42.2
105.07053	5.8
107.08554	5.3
109.02892	4.9
109.10131	10.9
109.63692	2.3
119.08588	6.7
121.10187	4.6
123.11716	5.1
127.03914	20.5
133.10101	3.9
135.11740	2.8
145.04999	11.3
147.11729	5.4
151.07622	2.9
151.14815	18.7
163.56989	2.2
165.05493	4.9
203.17949	9.7
231.04950	11.4
247.09744	3.7
249.06137	20.2
332.07776	2.2
333.93341	2.7
336.13608	2.9
345.41855	2.2
385.16458	7.0
459.73868	2.5
463.09094	4.4
486.31897	7.4
489.69266	2.7
504.33307	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.3
55.01870	8.1
55.05505	12.4
55.88088	4.2
57.03414	4.7
57.07075	6.9
62.01601	3.7
62.17282	4.1
67.05498	18.2
69.03432	23.5
69.07058	11.0
70.52280	6.9
70.52595	6.4
71.05016	11.6
74.32050	4.1
79.05494	34.6
81.03413	20.6
81.07056	100.0
83.04944	5.1
83.08630	9.7
85.02901	47.8
85.98672	4.4
87.00822	19.3
91.05486	14.2
93.07040	39.3
95.04951	8.9
95.08604	35.2
97.02890	20.8
97.06525	8.4
98.22993	8.6
99.04430	7.9
99.08044	5.5
105.01858	19.4
105.07051	25.1
107.04996	5.4
107.08603	52.6
109.02872	9.1
109.10148	32.0
115.22926	4.8
119.08578	35.6
121.10141	21.0
123.11660	29.8
127.03973	23.4
127.11219	11.2
131.08524	6.0
133.10120	26.5
135.11681	72.6
137.13222	6.0
143.08559	5.7
143.10709	15.8
145.04941	9.6
145.10097	7.8
147.11690	37.0
149.13287	10.8
159.11693	7.3
161.13237	16.2
161.15405	4.3
171.07954	6.2
189.03943	4.7
201.16527	4.7
203.17929	40.3
211.13240	22.8
217.12064	5.4
221.18988	54.5
256.40225	5.4
276.13147	10.7
311.19998	5.1
392.25180	4.6
460.20105	18.8
504.36414	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75488	3.4
55.01863	6.2
55.05504	17.6
57.03437	7.0
57.07091	3.5
67.05506	27.6
69.03423	12.3
69.07069	35.9
69.14945	5.6
69.15363	15.4
71.43279	2.9
79.05489	22.0
81.03413	5.0
81.07054	100.0
82.07382	4.5
83.08601	4.6
85.02930	24.5
85.06534	20.9
86.09718	4.5
87.00822	7.5
91.05474	24.3
93.07053	60.5
94.07355	3.4
95.04991	8.1
95.08607	70.9
97.02897	9.7
97.06499	17.5
99.08102	69.1
103.05449	3.8
105.01875	17.0
105.07031	52.0
107.07949	4.2
107.08599	40.2
109.02859	7.1
109.06508	7.5
109.10151	32.9
111.08033	6.4
111.11661	4.0
117.07043	4.3
119.03401	4.0
119.08585	59.3
120.08067	4.8
120.08892	3.8
121.10133	23.8
123.08056	4.0
123.11726	16.0
125.09639	9.2
127.03943	18.8
131.08551	4.5
133.10106	19.7
135.11688	10.0
137.05986	9.4
137.13286	3.4
145.04942	6.8
145.10165	7.8
147.11682	35.4
149.13245	9.9
151.11105	4.0
153.12889	4.3
159.11671	3.5
161.13245	14.8
163.03920	8.3
163.11186	4.4
163.14839	13.1
173.02341	6.7
175.14697	7.6
189.12854	8.7
202.16731	3.5
203.17961	37.1
207.13814	10.9
215.07039	7.8
220.17598	4.0
221.19009	58.7
249.06075	6.7
259.09671	17.5
380.01691	3.5
432.19037	5.4
433.22388	4.6
463.59097	3.6
504.21417	44.0
505.21231	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80260	1.2
53.06834	1.3
54.60064	1.3
55.05502	12.2
57.03429	5.0
57.07064	5.3
61.02931	7.4
67.05504	55.5
69.07059	7.8
71.04984	4.1
71.46992	1.6
73.02897	1.6
75.04478	1.9
79.05040	3.2
79.05494	59.3
81.07059	58.2
81.07476	1.4
83.05005	1.6
83.08619	6.3
85.02905	5.4
85.06537	6.5
91.03949	3.3
91.05479	26.8
91.05988	2.7
93.07045	66.7
95.04969	8.0
95.08603	40.1
96.08062	1.4
97.02877	4.1
97.06527	3.9
97.10180	3.2
99.08083	9.8
105.04464	1.5
105.07031	20.9
107.04951	2.7
107.08596	35.7
108.05712	2.0
109.06531	4.2
109.10164	29.6
111.08110	2.6
113.09630	5.2
115.92391	1.5
117.07035	11.9
117.50719	1.4
119.08591	16.9
121.10146	47.3
123.08051	3.6
123.11707	19.8
125.09634	4.1
125.77644	1.5
129.06931	1.8
131.08572	26.7
133.10123	22.5
135.08052	1.9
135.11694	50.3
136.05188	2.9
137.06009	2.0
137.09604	3.4
137.13229	4.1
139.11142	2.7
145.10126	25.1
147.11684	15.1
148.05206	2.5
149.09639	4.0
149.13255	30.4
151.07536	39.0
151.11209	2.7
159.11681	21.8
161.13275	3.0
163.11185	5.5
165.05537	1.9
165.09108	3.5
166.06253	7.8
173.13240	18.3
175.14771	3.3
177.09105	4.1
177.12781	3.3
181.08618	29.9
187.07370	1.6
187.14835	5.4
188.08438	2.2
189.09163	2.8
189.16306	1.7
191.10654	2.5
195.10190	1.8
202.09839	3.1
203.10686	4.7
205.19556	9.5
215.17947	81.1
216.18251	2.5
217.12294	1.9
233.11668	2.5
233.19011	100.0
234.19354	1.7
235.20462	2.8
235.81233	1.4
247.13373	3.2
251.20099	2.7
307.22714	9.0
325.23734	23.0
354.18118	3.4
370.17813	9.1
385.20023	12.2
505.30948	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33847	0.5
55.05506	0.9
57.07063	0.5
62.21693	0.4
67.05495	3.0
68.05010	0.6
69.07053	0.9
70.06589	100.0
70.50809	0.4
71.06911	0.4
71.08643	0.4
79.05479	0.8
81.07056	2.7
83.08626	0.5
91.05463	1.3
93.07050	0.9
95.08607	1.6
97.10143	0.4
105.07025	0.6
109.10177	1.0
121.10150	0.6
130.08635	71.2
131.09053	0.4
133.10130	0.8
141.14067	0.5
161.13300	0.6
231.37077	0.4
247.12338	0.4
357.35263	0.7
375.18875	0.5
375.79858	0.5
444.41971	2.2
467.40088	0.4
486.89523	0.5
504.44083	17.4
504.51547	1.0
505.44116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01850	0.6
55.61407	0.4
57.03444	0.6
60.86388	0.3
69.03427	2.3
70.06596	1.0
70.13290	0.4
79.05523	0.6
81.03419	1.0
84.04517	1.1
84.08172	0.4
85.02915	1.4
86.09705	2.0
91.05482	3.0
95.05011	0.4
95.06084	1.6
97.02888	1.4
97.06555	2.5
98.06868	0.7
99.04465	0.5
101.02374	0.8
103.03941	0.5
103.05471	0.7
105.07032	0.4
109.02886	0.5
113.07153	1.1
115.03937	0.7
119.04963	1.7
122.03601	0.5
127.03943	1.2
128.04372	0.4
130.05013	2.1
131.04958	0.4
133.04976	0.5
133.06509	1.0
137.05983	9.1
141.82797	0.4
145.02858	0.5
145.04971	0.8
147.04433	1.3
147.07651	2.3
151.07542	4.1
161.06009	1.8
161.37846	0.4
162.56508	0.4
163.03923	1.4
163.07568	0.9
164.04247	0.7
165.09148	0.7
175.07616	0.7
177.05475	0.5
179.07036	3.0
181.08621	0.5
184.03532	0.4
185.04233	1.1
187.07550	0.6
187.39964	0.5
189.09290	0.5
189.11246	0.6
193.03514	0.5
197.11095	0.5
215.07010	0.5
216.07414	0.5
223.13435	0.4
227.12793	1.0
231.05031	0.7
231.10094	0.4
245.13881	1.2
249.06024	0.4
259.09775	1.0
260.10001	2.3
275.07462	0.5
299.14709	0.7
325.16394	0.4
325.21164	0.5
331.10037	1.7
343.17230	1.3
343.22351	0.5
420.21024	0.5
443.19000	1.1
461.13412	0.9
461.19965	18.4
462.20322	0.7
487.21451	8.6
505.22534	100.0
506.22830	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83385	0.1
53.03937	0.2
65.03932	0.6
66.04707	0.1
67.05486	0.2
69.20393	0.8
69.20750	0.1
70.90558	0.1
75.04475	0.7
77.03939	0.5
78.04709	0.7
79.05482	1.7
80.06263	0.8
81.07036	0.2
89.03912	0.4
90.04694	0.9
91.05472	4.9
93.07027	0.7
94.04211	0.1
95.04973	1.1
103.05452	0.9
105.03385	0.5
105.04504	0.4
105.05487	0.2
105.07016	1.1
106.04172	1.0
107.04948	7.1
108.05035	0.2
108.05737	4.0
108.06480	0.2
109.06518	1.2
115.05447	0.6
117.07028	0.8
118.04147	0.5
119.04922	0.5
119.06017	0.2
119.30647	0.1
120.05713	0.8
121.02848	0.2
121.05705	0.2
121.06514	2.7
122.07287	0.5
123.04465	0.6
123.08057	1.1
124.05258	0.2
125.05976	0.2
128.06197	0.2
129.07016	0.6
131.04913	0.8
131.08575	0.4
132.05716	0.2
133.06464	1.2
134.03592	0.1
134.07166	0.2
135.04407	2.6
135.08047	1.7
136.05183	8.4
137.05972	3.6
138.06754	1.8
139.07524	0.7
141.06985	0.3
143.04955	0.3
143.08592	0.4
144.05669	0.3
145.06465	1.9
146.07294	1.3
147.04388	0.3
147.08035	1.9
148.05182	8.4
149.06007	1.1
149.09605	0.3
150.06758	1.9
151.03926	1.9
151.07532	100.0
152.07855	2.2
153.05400	0.3
153.09108	0.7
156.05618	0.3
157.06483	0.9
157.10147	0.2
158.07298	1.1
159.04361	0.2
159.08044	2.6
160.08826	0.9
161.05975	2.4
161.09587	0.5
162.06766	0.6
163.07523	3.6
164.08331	1.7
165.05493	1.3
165.06709	0.2
165.07666	0.3
165.09106	9.0
166.06247	16.0
166.09410	0.3
167.07042	2.6
168.07799	0.7
169.06343	0.2
169.08656	0.3
170.07227	0.2
171.08028	2.2
172.08839	1.4
173.05978	2.6
173.09613	1.1
174.06744	1.5
175.07544	1.5
176.08296	2.2
177.09097	8.6
178.09616	0.2
179.07059	0.8
179.10670	1.8
180.07831	2.0
181.08582	71.7
182.08913	1.8
183.08232	0.1
183.10040	0.8
185.09587	0.4
186.06750	0.4
186.10387	1.5
187.07527	3.5
187.11020	0.2
188.08305	4.8
189.05484	0.2
189.09085	5.6
190.09883	1.2
191.06993	0.6
191.10660	3.8
192.07834	0.4
193.08617	2.2
194.09314	0.4
195.10150	4.1
200.08269	0.4
201.09082	4.7
202.09877	5.4
203.07196	1.2
203.10654	10.1
204.07817	0.5
204.11160	0.4
205.08600	1.0
205.12061	0.1
206.09361	0.4
207.10144	2.6
209.11699	0.2
215.10625	1.2
216.11426	3.6
217.08640	1.0
217.12212	9.1
218.09279	1.0
218.12531	0.3
219.10172	1.5
221.11688	1.5
231.10185	0.5
232.11023	0.6
233.09372	0.3
233.11685	3.5
233.13873	0.2
247.13280	8.7
248.13602	0.4
262.13504	0.2
278.13065	0.2
279.13757	0.2
291.10193	0.2
293.11981	0.1
293.15329	0.5
306.12369	0.2
307.13269	0.4
311.16394	0.2
317.35449	0.1
321.14865	0.8
322.15460	0.6
323.12906	0.3
323.16452	0.5
338.14954	0.3
339.15945	1.0
340.16724	0.3
353.17435	2.9
354.18210	5.2
355.15097	0.3
355.18912	0.6
370.17712	19.7
371.17917	1.2
383.18475	0.4
385.20059	28.3
386.20340	1.6
403.21207	1.5
442.80206	0.2
516.01245	0.2
524.38660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.40062	0.5
55.01871	1.4
55.05509	14.7
57.03433	2.7
57.07071	5.5
57.18178	0.6
57.99670	0.6
67.05496	7.7
69.07066	17.4
69.89135	1.5
69.89486	1.1
71.04974	0.7
71.08630	3.5
79.05485	6.4
81.03410	1.2
81.07050	8.3
83.04974	0.9
83.08615	11.6
85.10127	0.8
91.05478	5.3
93.07046	6.1
95.04966	2.5
95.08612	6.3
97.06501	3.0
97.10169	9.0
99.81261	0.5
103.05452	0.7
103.47121	0.6
105.07056	4.1
107.04917	1.4
107.08595	2.7
109.10147	2.6
111.04430	0.6
111.08081	1.1
111.11721	1.9
115.03690	1.7
117.07005	1.7
119.08569	3.1
120.96613	0.8
121.06478	0.6
121.10130	3.4
123.08079	0.8
125.09634	0.8
129.07036	1.2
131.08551	3.5
133.10133	2.3
135.04333	0.6
135.08112	1.0
135.11691	2.1
136.05229	0.9
137.05966	0.9
137.09589	1.0
137.13318	0.6
143.08496	0.8
145.10149	1.8
147.08049	0.9
147.11674	1.1
148.05182	0.6
149.09624	1.2
149.13261	1.0
151.07538	9.8
156.97514	0.9
157.10152	0.8
159.11682	1.4
161.13229	0.7
163.11160	0.7
165.09155	0.9
166.06274	1.7
171.11682	0.9
174.98492	0.8
175.14796	0.9
176.99228	16.8
177.00723	1.1
177.09203	0.7
181.08591	6.8
185.13257	1.0
189.11218	0.8
195.00291	61.1
203.10648	1.1
213.00142	1.3
218.01888	0.6
233.22433	0.9
236.98833	0.7
247.48628	0.6
251.23648	0.8
269.03998	1.8
275.20050	2.2
293.21097	1.2
311.25775	15.5
341.20593	0.8
351.25070	2.6
361.98831	0.6
370.17712	1.3
371.25674	0.8
375.25067	1.1
385.20111	2.4
389.27075	0.7
405.76233	0.6
413.20627	7.7
431.21469	1.7
469.33231	2.3
487.24207	6.2
487.33994	2.3
505.25284	100.0
505.31235	5.4
506.25616	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01865	2.2
55.05502	8.3
57.03431	2.2
57.07067	3.2
59.04988	2.3
60.60936	1.6
66.01080	2.2
67.05509	12.0
69.03418	11.3
69.07053	10.4
69.43385	7.6
71.05000	17.1
79.05493	27.5
81.03415	5.9
81.07054	100.0
83.08608	7.7
85.02897	26.0
85.06533	18.1
87.00826	19.8
91.05477	14.4
93.06519	3.5
93.07047	36.9
95.04945	3.9
95.08604	29.0
97.02891	7.6
97.06532	2.0
97.10146	2.7
97.17588	1.5
99.04442	2.5
99.08103	7.0
100.28394	1.7
103.05474	2.0
105.01869	26.3
105.07027	36.7
107.08596	51.4
109.02881	5.6
109.06474	2.9
109.10161	30.3
111.08067	5.2
111.11760	2.0
117.07030	2.1
118.08617	2.5
119.08573	51.6
121.10147	13.5
123.11705	23.2
125.08817	1.7
125.09655	4.9
127.03909	16.4
127.11191	19.2
131.08508	2.3
133.10124	34.4
135.04500	1.9
135.11688	91.1
137.09608	1.7
137.13254	7.4
140.09175	1.6
143.10663	15.7
145.04941	7.2
145.10120	6.0
147.11670	23.0
149.13268	6.7
151.07550	1.9
151.11156	2.3
153.12738	4.5
159.11687	2.9
161.13264	14.5
163.14795	5.0
165.12756	2.6
166.76511	1.8
203.17940	61.6
221.19003	48.1
231.05016	4.1
249.06050	2.9
374.72018	2.1
433.22250	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
53.32384	3.0
55.05501	14.0
57.03437	4.0
57.07075	6.5
67.05505	13.4
68.99766	4.9
69.03426	22.5
69.07059	17.3
69.34071	10.3
69.34470	6.3
71.04987	20.2
75.08591	3.0
79.05490	20.8
81.03416	12.3
81.07052	80.4
83.08612	5.3
85.02897	40.9
87.00844	20.4
91.05495	12.1
93.07043	38.5
95.04954	6.6
95.08598	32.0
97.02899	20.4
97.06532	4.6
99.04413	3.9
103.05420	3.9
105.01878	17.5
105.07027	34.9
107.08591	57.4
108.08958	3.0
109.02876	8.8
109.06537	4.1
109.10148	41.8
115.03940	6.8
119.08587	47.6
121.06453	3.3
121.10143	18.5
123.08037	3.8
123.11702	25.2
125.09683	4.5
127.03914	20.4
127.11214	22.8
129.01846	4.0
129.28474	3.1
131.08604	4.8
133.10109	38.7
133.66550	3.1
135.11684	100.0
137.05949	3.5
137.13257	5.2
143.10667	14.4
145.04961	8.7
145.10159	5.7
147.11665	33.3
149.13315	9.3
153.12737	8.0
159.02837	6.1
159.11732	6.4
161.13272	14.4
163.14854	6.2
177.16371	4.1
185.13309	3.6
193.19611	3.5
203.17938	71.7
204.18484	3.7
215.18155	4.0
219.28741	3.1
221.18990	67.2
222.19299	5.5
231.04979	6.6
239.20105	5.6
311.20026	3.7
433.22452	4.6
505.20462	5.6
505.27728	5.3
505.36078	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
60.55136	0.9
63.73425	0.8
67.05485	1.1
67.71652	0.8
69.07050	1.0
70.39461	2.6
81.07053	2.0
91.05472	1.5
93.07042	1.1
95.08582	1.1
105.07078	1.0
106.19955	0.9
121.10268	0.8
143.48918	0.9
145.28334	0.8
146.06212	0.9
147.16240	0.9
151.07536	8.5
166.06226	1.1
181.08603	4.2
182.88068	0.9
189.08966	1.0
190.71490	0.9
191.74318	0.9
192.92621	0.9
227.14096	1.3
229.15611	2.2
245.15198	1.9
247.13332	1.0
255.13541	33.6
259.56976	0.9
273.14590	100.0
274.14935	1.6
311.25854	0.9
370.17630	2.1
385.19968	2.4
408.33807	1.1
505.29370	7.6
505.36142	1.1
505.38470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43029	0.4
57.03418	0.6
58.06571	0.9
59.17560	0.4
69.03411	0.5
69.07041	0.4
70.06562	1.4
70.14532	0.9
71.04980	1.6
84.08115	0.6
85.02898	2.8
86.09678	0.6
87.04457	0.4
87.46474	0.4
100.22586	0.4
103.05466	2.8
115.03899	0.5
119.04919	0.6
122.03636	0.6
129.05467	0.6
129.10216	0.9
131.04924	8.6
134.07967	0.4
137.05963	2.7
138.05461	0.7
139.06238	1.3
140.06931	0.7
143.04816	0.6
145.02769	0.6
147.04388	1.1
152.07036	2.6
160.07547	1.8
162.03323	0.4
162.05496	4.0
163.06218	3.0
163.07513	4.5
164.07019	0.6
165.05376	0.5
167.06961	0.9
175.07498	0.7
176.07047	4.5
177.05438	1.0
177.07835	5.5
179.06953	0.7
192.10176	27.1
195.06474	1.0
203.06943	0.5
226.08571	0.4
240.10214	0.9
249.07507	1.1
250.08604	1.1
251.06674	0.4
253.07602	0.5
254.08232	0.7
254.11816	0.5
264.10211	0.5
266.07886	0.6
266.11737	0.6
267.08896	0.7
268.09677	3.4
270.07480	0.8
273.07608	0.5
278.08008	1.3
279.08832	0.4
282.11258	1.2
283.08789	0.9
283.11945	1.1
284.09323	1.5
285.09863	0.7
286.10535	0.7
292.09482	0.8
294.07843	0.5
294.11157	1.2
295.08264	1.7
296.05792	0.6
296.09143	11.2
297.09378	0.7
298.06985	1.5
298.10184	0.5
299.07837	2.4
300.12195	3.0
304.02002	0.5
310.10699	5.5
311.11487	12.2
312.05359	0.5
312.08676	5.9
312.12067	1.0
313.09415	8.8
314.10187	14.9
315.10721	1.8
328.11755	21.9
329.12537	37.4
330.13239	6.9
386.12326	0.6
461.13376	0.6
472.11847	0.7
473.12866	0.7
488.08429	0.5
488.15546	8.4
489.17517	0.5
490.13031	1.3
491.14136	1.1
506.16382	100.0
507.16611	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.7
59.05001	2.2
61.02928	1.5
62.72922	1.1
69.03429	32.2
69.57731	3.6
70.06580	2.0
72.08166	2.4
73.02920	1.4
81.03407	1.4
83.04974	1.1
84.04495	1.1
85.02908	21.4
86.09710	3.7
87.04469	20.5
89.03929	2.9
91.05489	3.5
96.04489	1.1
97.02890	25.3
97.06523	1.2
103.05458	2.3
109.02905	1.1
115.03931	33.7
115.04706	2.1
117.03382	11.2
119.04964	6.7
127.03944	4.0
128.47180	1.0
129.10225	1.8
131.04913	1.9
133.04964	29.5
134.08153	3.6
135.04391	2.7
137.06000	3.6
145.01704	2.0
145.02847	39.7
145.04872	2.4
147.04411	39.4
147.05597	1.9
149.05998	5.7
150.07642	4.3
153.05437	1.4
161.05981	2.1
163.03918	3.1
163.07516	1.1
165.05435	1.9
175.07585	4.1
177.05470	100.0
178.05820	2.1
187.07480	1.5
189.05505	1.3
191.07097	2.4
192.10349	1.8
195.06522	68.2
201.05573	1.3
205.12367	1.7
219.06538	4.9
229.08546	1.5
235.30521	1.1
237.07532	1.3
249.07722	1.2
255.06543	1.6
273.07504	1.3
280.19052	1.1
291.08691	1.3
299.05405	2.9
309.09689	7.1
309.12845	1.3
334.08508	1.4
335.09476	1.2
419.14288	1.2
423.02777	1.1
506.15683	1.6
506.22778	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01858	4.6
55.05500	0.9
56.07000	0.8
57.03431	10.5
58.53630	0.8
59.04998	2.1
60.04526	2.0
61.02925	2.6
65.03941	2.6
67.05487	0.8
67.06498	0.7
68.99783	2.2
69.03424	54.5
69.67538	2.8
70.56943	0.8
71.04991	3.0
72.08159	1.1
73.02905	4.7
79.05489	1.9
80.74568	0.9
81.03408	16.9
81.07084	1.3
83.01331	1.2
83.04982	4.5
84.08165	0.7
85.02899	60.1
86.09689	0.9
87.00822	24.7
87.04465	16.3
87.05009	0.9
91.05474	100.0
92.05823	1.1
93.07063	1.3
94.49100	0.7
95.04996	2.2
97.02884	49.6
99.04454	10.3
101.02381	1.0
103.03965	2.8
103.05460	1.0
105.01865	41.0
105.07027	3.6
107.04964	1.7
107.08606	1.3
109.02874	20.4
109.06535	0.9
111.04456	3.1
115.03925	23.5
115.04705	1.2
117.01858	1.1
117.05518	1.3
117.07012	0.9
119.04926	1.0
120.08143	1.1
121.06535	1.4
123.04444	1.1
124.07632	1.0
125.02415	1.1
127.03909	44.7
129.01852	1.2
129.05486	2.4
129.06982	1.6
131.04955	1.0
133.04959	14.9
133.06512	1.9
134.08119	1.9
137.09508	0.8
138.82835	1.0
139.03940	2.5
141.63387	0.7
143.03415	1.8
144.21634	0.8
145.04950	17.1
145.06537	1.8
147.02867	1.5
147.04443	1.6
147.07959	1.0
149.05983	2.0
150.07614	17.7
151.03905	1.1
159.02876	6.3
159.11656	1.0
160.03923	1.6
162.06815	0.9
163.11186	1.2
165.05405	0.9
171.02888	0.8
171.08087	2.7
175.07576	2.3
177.05484	4.8
187.06047	0.9
189.03877	4.2
195.06532	4.7
199.07594	2.0
201.03955	1.0
205.05016	1.9
205.12242	1.6
206.15373	2.1
213.03889	4.0
215.05501	1.4
217.06808	0.9
217.08659	4.2
219.17986	0.8
220.06015	1.1
223.06079	3.1
223.09700	0.8
231.04990	17.0
233.87378	0.8
235.09662	1.6
241.06984	7.3
247.04604	0.7
249.05922	6.0
252.16002	2.4
273.05954	1.7
301.09207	1.8
303.08633	1.3
309.06082	1.5
317.15118	1.2
321.09634	4.3
327.07080	8.9
339.10675	3.8
344.20847	3.1
345.08130	13.6
363.09372	2.4
373.13885	1.8
374.14465	1.4
506.22797	2.2
506.29239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62943	2.1
53.03951	3.6
55.01881	3.3
55.24038	2.0
57.03442	13.1
59.80628	2.2
60.04528	3.1
65.03928	3.6
69.03429	76.2
71.04990	7.3
79.05483	3.4
81.03424	24.3
81.07047	2.5
81.65344	2.1
84.04509	2.3
85.02903	62.3
86.09713	3.8
87.00819	23.4
87.04467	27.2
91.05479	100.0
95.05002	2.7
97.02895	92.0
97.06512	3.1
99.04449	18.3
103.03930	3.6
105.01861	21.9
105.07040	6.2
107.04946	5.5
107.08581	3.7
109.02869	9.6
109.06542	4.2
115.03929	47.4
119.04939	3.7
119.08608	3.8
121.10155	3.6
123.08079	3.5
127.03912	72.3
129.06999	2.4
133.04970	29.6
134.08156	2.7
135.11739	3.1
137.05974	13.4
137.12544	2.2
138.06380	6.0
144.09346	2.0
145.03830	5.3
145.04953	62.2
145.10129	4.9
147.04387	3.6
147.08005	2.3
147.11665	2.7
150.07646	9.3
151.07565	5.6
159.11743	6.1
163.11232	12.3
165.09055	2.9
177.12772	7.7
179.07025	4.3
187.11160	3.3
201.03911	2.9
205.12175	10.7
213.03951	3.5
217.08591	3.1
223.13301	11.2
231.04980	60.1
249.06052	52.1
345.07999	3.4
363.09131	4.9
423.00421	2.5
462.20108	9.5
488.21869	4.7
506.22891	55.5
506.28687	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01496	1.0
55.01863	3.1
55.05488	1.0
57.03440	10.5
59.04989	1.9
60.04517	2.7
61.02927	2.7
63.12763	1.0
65.03923	2.4
68.99780	1.6
69.03433	50.7
69.41640	4.7
71.01356	1.7
71.04984	3.1
73.02920	3.1
73.74476	1.0
81.03419	16.3
83.04982	4.7
85.02914	55.1
87.00834	19.8
87.04473	14.3
91.05486	100.0
92.05828	1.1
97.02897	55.8
99.04459	10.0
103.03950	1.8
105.01876	37.8
105.07030	2.8
107.04960	2.4
109.02884	16.4
111.04442	3.8
115.03942	22.5
117.01795	1.6
123.04452	1.3
125.02393	1.5
127.03918	41.0
129.01859	2.3
129.05470	1.3
129.06999	1.6
131.04974	1.1
133.04973	16.1
133.06502	1.9
134.08139	1.1
137.02306	0.9
139.03889	2.0
145.04947	16.6
145.06551	1.9
146.66621	1.1
147.02898	1.2
150.07632	16.9
151.03918	1.5
157.06441	1.4
159.02907	4.1
171.08070	1.8
175.07503	1.4
177.05460	2.3
189.03983	3.5
192.30768	1.0
195.06529	3.4
199.07535	3.4
205.04984	2.1
213.03894	3.9
215.05585	1.3
217.08597	4.3
220.05933	0.9
223.06035	2.2
231.05026	15.1
235.09738	1.3
241.07021	7.8
249.05956	5.7
259.07794	1.0
273.06125	2.4
303.08694	1.2
309.06009	2.2
321.09735	3.6
327.07141	7.5
339.10944	2.3
345.08173	11.4
363.09174	2.7
381.10193	1.2
432.32156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03940	2.5
53.49357	1.0
55.05525	2.5
57.03432	8.3
59.04996	1.7
60.04515	1.2
61.02921	1.6
65.03934	2.6
67.05518	1.0
68.98158	0.9
69.03427	37.1
69.03804	2.2
69.07053	1.2
69.40086	1.0
70.06602	1.1
71.04996	2.7
71.21938	1.1
72.07781	0.9
72.08160	1.4
73.02920	1.6
74.22453	0.9
75.04477	1.3
76.69794	1.2
79.05480	1.7
81.03416	9.5
81.07059	1.4
83.04993	1.2
84.08117	1.4
85.02904	29.6
87.00829	8.0
87.04467	13.8
91.05477	100.0
92.05836	1.1
93.07082	1.1
95.06061	1.3
97.02890	59.7
97.06516	2.0
97.10175	3.2
99.04446	6.8
105.01869	14.1
105.07011	2.2
107.04952	2.5
107.08605	3.1
109.02857	5.7
115.03934	24.8
117.06960	1.4
118.14742	0.9
119.08602	1.7
121.06420	1.1
123.07962	1.2
125.09628	2.9
127.03912	31.4
133.04962	14.2
137.05876	2.0
143.25714	1.0
145.04958	31.3
147.04370	1.6
147.08098	1.5
150.07599	11.4
151.07576	1.0
159.02884	1.9
161.05956	1.3
163.11211	4.4
165.09033	1.0
177.05461	1.8
179.07123	1.4
189.11250	4.2
195.06557	3.6
201.03850	1.1
205.12331	1.8
217.08646	1.9
219.04965	1.2
223.13266	2.4
227.12781	6.6
231.05019	15.9
235.09679	1.3
245.13847	8.7
249.05998	6.7
321.09900	1.4
339.10654	1.2
462.20212	5.8
488.21616	2.4
506.15717	2.0
506.22864	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33737	0.3
57.03367	0.4
57.59795	0.2
58.06513	0.7
58.06784	0.3
59.75058	0.2
68.99423	0.2
69.03366	0.4
70.06510	0.7
71.04897	0.8
71.05241	0.3
72.08118	0.3
83.69854	0.2
84.08070	0.6
85.02895	1.4
86.09642	0.3
91.05423	0.4
97.02836	0.6
98.97541	0.3
103.05363	1.0
115.03893	0.5
115.05399	0.3
120.08089	0.6
120.58930	0.3
129.54590	0.3
131.04935	3.6
133.04924	0.2
137.05931	1.2
139.06171	0.3
140.06812	0.3
143.04904	1.2
145.02800	0.4
147.04369	0.6
149.08295	0.9
151.07481	0.5
152.07022	0.5
162.05464	0.8
163.06306	0.5
163.07497	1.6
165.05484	0.3
175.07446	0.9
176.07069	1.1
177.05373	1.1
177.07837	18.6
178.08420	0.4
192.10182	100.0
193.03146	0.8
193.10544	1.6
195.06517	0.4
203.06969	0.3
237.03566	0.5
249.07585	0.5
253.08626	0.3
257.22278	0.3
268.09979	0.6
281.08163	0.4
292.09412	0.3
295.08389	0.4
296.09097	2.2
297.05991	0.8
298.06946	0.3
299.08240	0.4
300.12457	0.8
309.09921	0.3
310.10959	0.8
311.11536	2.1
312.08780	0.8
313.09357	1.4
314.10199	2.1
328.11859	3.8
329.08728	0.7
329.12549	6.3
329.16196	0.4
330.13315	2.0
488.15692	1.4
490.13885	0.5
501.62692	0.3
506.19873	34.9
507.20218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
53.18111	0.9
55.01870	2.5
55.05515	9.2
57.03439	17.6
61.02919	5.3
67.05511	4.1
69.03427	11.4
70.79130	1.0
71.01358	1.7
71.04997	17.5
73.02915	13.4
73.06546	1.1
75.04483	100.0
79.05494	3.2
81.03417	6.9
81.07067	3.7
83.04981	20.0
83.08631	2.0
85.02910	98.6
87.04479	4.6
91.03967	4.0
91.05491	3.0
93.07056	2.0
95.04984	1.8
95.08638	2.9
97.02897	20.4
97.10203	2.1
99.04443	5.6
101.06026	10.8
103.03937	1.7
105.07021	1.8
106.58286	1.0
107.08589	1.8
109.02892	8.2
109.10121	2.1
111.04446	15.5
118.27019	1.2
119.08625	1.8
121.10137	1.5
122.10504	1.2
125.09650	2.0
127.03921	27.4
129.05476	21.9
145.04964	52.1
147.06532	27.5
151.03984	1.2
157.10233	1.3
163.06030	30.1
163.11145	1.2
174.08931	1.0
176.78435	1.1
180.08673	1.1
181.04982	1.3
193.12282	1.8
199.06024	6.2
207.20146	1.0
209.11751	1.5
211.13335	2.5
217.07043	7.2
237.07616	3.4
255.08725	6.3
260.79840	1.1
273.09732	10.0
275.12976	1.2
291.10767	3.3
309.11765	10.2
325.11386	2.9
517.43927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01854	5.4
57.03433	4.2
59.04999	3.2
67.05489	5.5
69.03430	21.4
70.06573	7.4
71.04986	7.6
76.28082	2.4
76.91947	2.5
79.05495	3.9
81.03409	18.2
81.07048	4.7
83.04976	7.2
84.08120	2.5
85.02898	33.1
86.09699	5.7
87.00823	18.1
91.05481	15.8
93.07008	12.7
95.04961	8.9
95.06094	2.6
95.08617	8.5
97.02885	43.9
97.06541	3.3
97.22637	2.3
99.04480	7.3
105.01880	13.0
105.07022	16.7
107.08592	18.7
109.02891	9.6
109.06504	13.5
109.10142	5.9
113.07108	2.6
115.05423	2.4
117.07023	4.5
118.08639	4.8
119.04950	5.3
119.08558	35.1
120.08082	3.2
121.06521	6.5
121.10152	7.7
123.08070	17.3
125.09669	3.8
127.03896	19.7
128.04088	2.4
128.06149	2.3
129.01852	2.3
129.07007	5.7
130.07748	4.2
131.08563	9.6
133.10127	8.5
134.08109	5.2
135.08054	5.9
135.11693	28.8
137.05997	11.9
137.09634	4.0
138.06375	3.6
142.07704	3.0
143.08566	5.0
144.09346	9.0
145.04976	9.6
145.10109	22.9
147.08057	15.5
147.11665	11.1
149.09669	2.6
149.13261	2.8
151.07562	10.9
157.10138	5.1
159.02873	6.0
159.11685	62.8
161.05965	4.0
161.09605	5.4
163.07512	5.0
163.11176	33.4
165.09085	21.2
172.08801	4.1
175.04099	2.5
175.07658	3.4
175.11192	31.3
177.05431	5.3
177.12744	48.3
179.07040	4.0
179.10570	2.6
181.12245	3.1
187.11220	21.1
192.10239	3.2
200.06941	2.4
201.03918	9.7
202.91931	2.3
204.00119	2.6
205.12227	83.2
219.05034	3.9
223.13277	78.4
231.05072	3.4
256.36789	2.4
332.18680	2.9
349.23734	4.3
365.74564	2.6
422.30417	2.7
461.20639	2.8
462.20438	13.5
470.25958	2.8
488.21262	4.6
506.16788	5.0
506.22842	100.0
507.13901	12.4
507.22845	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.05025	0.8
57.03436	3.0
61.02919	0.7
69.03431	1.3
69.60867	1.6
70.06583	1.7
70.17616	0.5
71.04989	25.4
73.02914	0.6
75.04472	0.9
81.03397	0.6
83.04972	1.3
84.08157	0.7
85.02901	29.6
86.09706	1.3
87.04459	1.2
95.04963	1.2
97.02913	1.6
98.06042	0.5
99.04449	0.9
103.05464	32.7
105.07014	0.8
111.04456	0.8
119.04946	0.6
127.03900	0.9
129.05469	10.4
129.10257	0.6
131.04919	100.0
132.05255	1.6
134.08157	0.7
137.05966	1.6
141.10829	0.5
145.02896	0.8
146.08118	0.8
147.04398	1.7
147.06511	3.8
152.07117	0.8
160.07544	1.0
162.05505	1.1
163.07532	58.6
164.07909	0.8
164.09187	3.3
165.05464	0.4
175.07599	0.9
176.07053	1.3
177.05437	2.2
177.07811	1.2
181.08670	0.7
192.10193	4.1
195.06485	1.1
195.08092	0.4
196.10890	0.4
247.73264	0.4
249.07648	0.8
268.09546	1.0
295.08441	0.5
296.09186	2.5
298.07004	0.5
299.07758	0.6
310.10413	0.9
311.11353	2.1
312.08344	1.2
313.09384	2.1
314.10205	3.3
320.21570	0.5
328.11667	4.5
329.12515	7.7
330.13132	0.9
488.15231	1.9
506.16345	19.7
507.17615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01871	1.2
57.03437	9.6
58.06581	1.0
59.04995	1.7
60.04517	1.4
61.02931	1.3
62.86033	0.9
67.05495	1.1
69.03432	37.3
69.03806	2.1
69.07056	1.0
70.06593	2.6
75.04494	1.5
79.05490	4.2
80.39129	0.9
81.03421	1.8
81.07072	2.7
83.04972	2.9
85.02907	26.7
86.09698	1.6
87.04465	21.9
91.03954	1.0
91.05487	4.2
93.07070	1.8
95.04947	1.5
95.08612	1.2
97.02891	29.6
99.04428	1.1
103.05484	2.7
105.07018	4.1
107.04951	35.0
107.08609	1.1
108.81142	0.9
109.02898	1.3
115.03932	35.7
115.05459	3.6
117.06960	1.3
118.08685	2.4
120.05729	1.5
120.08105	1.4
121.06542	1.4
123.04449	1.2
127.03891	4.6
131.08600	1.4
133.04964	37.4
134.12703	0.9
135.08061	12.7
137.05965	7.5
137.09674	1.0
138.06317	2.1
142.16441	0.9
144.06593	2.4
145.04958	5.2
150.07599	5.9
151.07590	1.5
155.07117	1.4
159.08110	1.4
161.05965	1.6
162.07613	1.7
163.07544	39.4
165.09090	1.2
167.07028	8.9
175.07469	1.2
187.07567	2.6
189.57233	1.2
190.10249	0.9
191.14455	1.0
192.07765	1.0
195.10158	100.0
196.10526	1.7
201.08932	0.9
203.57841	0.9
203.98347	0.9
205.08627	2.2
207.10097	5.7
219.10190	1.6
235.09624	1.0
237.11234	4.5
273.11301	1.1
291.12247	1.3
312.13101	1.1
461.30930	1.1
506.22324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99963	5.4
61.05422	5.0
71.18024	5.8
79.05463	7.1
91.58145	4.9
98.23015	9.0
100.20717	5.1
119.46356	5.1
125.54051	5.1
131.04933	13.8
135.04427	100.0
137.05960	12.5
139.67113	4.9
143.04950	7.2
149.05960	14.4
151.07542	19.0
161.06030	13.5
163.07620	17.3
167.07071	60.6
172.87628	6.2
181.08607	7.0
185.06021	15.2
187.07582	12.3
191.56364	5.6
201.09026	11.9
219.10167	7.6
233.11702	10.6
291.10101	9.0
323.12805	40.3
355.15451	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
65.03910	0.2
71.45477	0.2
71.71815	0.2
74.83766	0.2
79.05479	1.4
81.07017	0.2
91.05497	0.8
93.07028	0.3
95.04955	0.2
103.05472	0.2
105.04473	0.2
105.07021	0.6
106.04223	0.2
107.04958	3.0
108.05626	0.2
115.05412	0.4
117.07005	0.3
121.06506	1.4
123.04408	0.7
124.05193	0.4
128.06223	0.5
129.06989	0.3
131.04959	0.3
133.06471	0.5
135.04387	0.2
135.08028	0.2
136.05179	0.4
137.05960	0.2
137.99864	0.1
141.06979	0.4
143.08537	0.3
145.06465	0.6
146.07234	0.5
147.04315	0.2
149.06003	0.9
150.06752	0.3
151.07538	3.1
152.04617	0.4
153.06979	0.6
154.07800	0.4
155.08577	0.3
156.05737	0.4
157.06471	1.4
158.07262	0.6
159.08051	0.5
161.05959	0.6
162.06796	0.3
163.07588	0.2
165.09122	3.0
167.07045	9.2
168.05721	0.4
169.06480	1.6
170.07294	0.5
171.06734	0.3
171.08066	3.2
172.08830	2.8
173.05981	1.0
173.09549	0.5
174.06758	0.5
174.10381	1.1
175.07481	0.3
177.09114	1.8
179.07008	0.5
181.08598	2.2
182.07298	0.2
183.08044	0.5
184.08833	5.7
185.05986	1.3
185.09563	0.6
185.81429	0.2
188.08313	7.8
189.09114	2.2
190.09906	0.4
193.08577	1.3
199.07524	0.4
200.08328	4.6
201.09102	2.5
202.09824	0.5
203.10677	7.7
205.08514	0.4
205.12212	2.0
215.10672	35.8
216.11024	0.8
218.09375	1.4
227.10516	0.2
229.12137	0.2
231.10175	0.6
232.08627	0.2
233.11716	16.2
234.12010	0.4
245.11769	0.7
246.10422	0.3
249.11418	0.2
254.20880	0.2
255.10094	0.4
261.09140	0.3
262.09891	0.5
263.10657	0.4
274.09900	0.2
275.12769	100.0
276.13086	2.6
277.12149	0.7
278.13348	0.2
279.10175	0.3
290.09341	0.5
294.12543	0.3
305.11716	0.6
307.09662	0.2
308.10397	0.3
309.14822	0.7
322.11902	0.3
337.14334	1.2
338.15265	0.5
355.29999	0.2
369.16953	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06779	0.3
71.22444	0.3
78.97890	0.3
79.05499	1.3
84.51920	0.2
91.05471	0.7
103.05454	0.4
104.44426	0.3
105.06998	0.4
107.04943	2.9
108.46896	0.3
115.05452	0.4
117.07023	0.3
121.06494	1.6
123.04441	0.7
124.05228	0.6
133.06493	0.3
136.05168	0.3
137.05971	0.3
137.65689	0.3
145.06479	0.8
146.07277	0.5
149.05994	0.8
150.06767	0.4
151.07513	3.3
153.06972	0.6
154.07834	0.4
155.08572	0.4
157.06497	1.8
158.07307	0.9
159.07977	0.7
161.05937	0.6
165.09085	2.3
167.07043	8.2
167.08481	0.4
168.05771	0.3
169.06482	1.2
170.07228	0.7
171.07990	2.6
172.08801	2.6
173.05974	0.8
173.09521	0.5
174.06825	0.7
174.10397	1.3
176.08260	0.4
177.09073	2.2
179.07083	0.6
181.08600	1.9
182.07310	0.3
183.08025	0.8
184.08826	5.3
185.06001	1.5
185.09627	0.4
188.08319	6.7
189.09105	2.2
190.09888	0.4
193.08627	1.3
199.07603	0.7
200.08328	4.1
201.09076	2.3
202.09930	0.5
203.10655	7.7
205.08598	0.3
205.12227	2.2
215.10663	34.5
216.11061	0.9
217.08621	0.4
218.09377	1.2
227.10762	0.4
228.38696	0.3
229.12155	0.3
231.10158	0.7
233.11702	15.0
234.12086	0.4
245.11671	0.6
251.10600	0.4
255.10110	0.4
261.09152	0.4
262.09949	0.4
263.10699	0.5
275.12762	100.0
276.13153	3.3
277.12198	0.6
279.10101	0.6
291.09875	0.4
293.11594	0.3
305.11746	0.9
309.14838	0.6
337.14304	1.4
369.16934	4.4
471.23645	0.3
494.44174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72767	0.6
52.09235	0.7
53.03935	2.4
55.01864	1.7
55.05511	8.9
55.38978	0.7
57.03438	2.1
57.07072	5.8
65.03934	0.8
67.05156	1.4
67.05503	20.9
67.81636	0.7
68.99782	0.8
69.03423	8.7
69.06705	1.2
69.07068	16.1
69.51550	2.2
69.51903	1.1
70.88126	0.6
71.04989	1.9
71.08649	1.9
73.02903	1.0
79.05490	11.7
81.03419	5.1
81.07055	100.0
82.07384	1.1
83.08607	7.4
85.02905	23.4
85.06541	20.7
87.00826	12.0
91.05473	3.2
93.07043	14.4
95.04964	1.1
95.08604	62.1
96.08955	1.0
97.02897	11.4
97.06557	0.9
97.10188	4.6
99.04458	2.9
99.08089	21.5
105.01867	22.0
105.04519	1.1
105.07033	1.7
107.08581	13.6
107.09258	1.1
107.22948	0.6
109.02869	4.2
109.10149	34.9
111.08079	0.8
111.11721	4.0
113.09635	7.1
119.08601	1.0
121.10152	9.1
123.11707	21.8
125.09653	1.0
125.13279	1.0
127.03918	17.2
127.11211	1.1
135.11691	13.2
137.13242	6.4
145.04955	10.2
145.06071	0.9
147.02821	1.1
147.11673	0.9
149.13249	21.1
151.14798	0.8
159.02908	2.4
163.14815	5.3
165.16405	0.8
169.53046	0.6
176.55521	0.6
186.14566	0.6
189.03836	1.4
205.19516	15.5
205.21304	1.1
223.20563	21.7
231.04988	7.1
240.23256	1.9
249.06073	5.6
257.69150	0.7
284.09973	1.5
305.02740	0.7
336.65601	0.7
504.79800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86182	1.5
55.05510	10.3
57.03434	5.6
57.07071	10.2
58.57263	1.6
61.02921	4.7
65.03917	2.0
67.05500	59.7
68.52007	1.7
69.03436	1.9
69.07075	14.6
69.68426	6.1
71.05013	2.2
71.08631	4.6
74.88818	1.6
78.15146	1.7
79.05488	16.8
81.07053	67.9
83.08617	9.2
85.02900	3.7
85.06526	3.7
85.10194	3.7
91.05476	18.2
93.07044	19.2
95.04989	3.7
95.08603	60.5
97.02901	2.8
97.06506	2.3
97.10173	4.1
99.08103	7.9
100.87328	1.6
102.52842	1.6
104.10735	2.2
105.07010	13.0
107.08595	12.0
109.10146	22.6
110.10522	1.9
111.08090	3.2
113.09636	6.0
117.07015	2.1
119.08568	13.2
120.08953	1.8
121.06541	2.2
121.10149	19.3
123.11697	15.7
125.09609	2.3
127.11230	4.5
130.25093	1.6
131.08589	2.0
133.06499	4.3
133.10141	17.8
135.04420	46.9
135.11687	15.2
136.05093	3.4
137.05913	1.9
137.09596	2.0
137.13243	19.2
139.11176	2.3
143.08582	2.7
145.06458	1.7
145.10052	1.8
147.11662	10.4
148.05182	4.8
149.05922	3.5
149.13277	4.8
151.07523	22.0
151.11166	1.7
151.14807	13.2
152.07912	6.6
157.06523	1.9
161.05936	2.4
161.13249	16.8
162.13599	1.8
163.07574	2.5
165.09151	2.3
166.06270	8.2
167.06674	2.1
171.07999	2.1
173.05981	3.4
175.14873	6.5
181.08569	42.4
182.08937	7.5
184.07256	1.9
187.07582	4.5
189.09143	3.8
189.16371	2.7
195.10179	3.9
201.09108	6.2
202.09869	3.0
207.10185	4.7
216.11469	2.2
217.19504	79.6
233.11748	8.1
235.20540	100.0
247.13274	5.3
309.24258	23.8
327.25311	3.4
335.25934	3.2
354.14685	4.4
369.16922	28.1
371.18118	4.9
386.20190	2.9
403.20123	1.6
423.24130	3.0
506.31210	3.6
506.43903	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
62.54754	0.4
67.05530	0.5
69.03432	0.8
72.72680	0.3
73.73166	0.4
76.99062	0.3
78.07651	0.4
79.05442	0.4
81.07035	0.8
91.05494	0.6
97.02917	0.9
105.06987	0.5
109.10159	0.4
125.02332	0.6
151.07530	4.1
152.07832	1.8
166.06320	0.5
181.08603	2.3
182.08952	2.0
182.97618	0.4
183.09190	0.6
205.06525	0.4
220.05234	0.6
221.06036	0.5
232.08878	0.4
243.07964	0.8
248.04636	0.6
249.05446	0.8
250.06267	0.6
252.07970	0.6
257.05789	0.4
258.06726	0.8
259.07602	0.8
262.06241	0.5
263.07117	0.4
271.07504	0.9
274.06210	0.5
275.07047	1.4
276.04419	0.5
276.07748	0.8
277.05084	0.8
278.05780	0.9
279.06625	0.4
280.07263	0.5
285.05508	0.5
286.06277	1.9
287.07025	2.4
288.07703	0.7
289.04913	0.8
290.05759	0.5
291.06543	1.0
291.10098	1.3
293.08084	4.8
295.09708	0.9
298.06110	0.7
299.07010	0.8
300.04544	0.5
300.07803	1.1
301.05234	0.7
301.08649	1.8
303.06567	2.1
304.03979	0.6
304.07050	0.8
305.04517	1.0
305.08014	0.6
306.05276	0.9
307.06006	0.8
313.04947	0.9
313.08658	0.5
314.05658	1.4
314.09171	0.6
315.06549	3.2
316.07343	2.2
317.04636	0.5
317.08133	1.1
318.05185	1.0
318.08978	1.0
319.06030	2.2
319.09711	1.5
320.06735	1.0
321.07504	5.0
323.09198	1.0
327.06467	1.4
328.07187	1.1
329.08020	2.7
330.05237	0.6
330.08749	0.7
331.05948	2.7
331.09659	3.3
332.06784	1.2
333.07605	0.6
335.09137	1.7
340.07019	0.5
342.08731	0.6
343.06009	4.1
343.09567	0.9
344.06824	0.7
345.07532	1.4
345.11053	0.9
346.08350	1.3
347.05429	1.0
347.09164	5.6
349.06985	2.4
349.10657	0.7
350.07809	2.7
351.08621	8.6
355.05966	1.8
356.06964	0.9
357.07541	4.3
358.08423	1.4
359.05441	1.3
359.09320	2.5
361.06808	0.9
361.10785	1.6
363.08514	1.0
369.07697	0.7
371.05139	0.5
371.09171	1.7
371.18317	0.6
372.10138	0.7
372.18463	0.6
373.06799	4.2
373.10800	0.9
374.07706	2.1
375.08627	5.6
376.09467	1.3
377.06277	6.4
377.11075	2.1
383.05273	0.6
384.06519	0.5
385.07162	1.6
386.07727	0.5
387.08646	3.3
388.09412	1.5
389.10339	2.3
390.06921	0.6
398.07635	0.8
399.08847	3.5
401.10217	1.8
402.07303	1.6
403.08115	1.3
403.12531	0.6
404.09018	1.0
405.09662	19.2
406.09656	0.6
413.06320	0.8
415.08179	1.6
416.08826	0.5
417.09641	1.2
419.11319	3.1
426.06741	0.6
427.08047	1.4
429.09717	3.5
431.11392	3.5
432.08408	1.4
433.09207	12.0
441.05896	0.5
442.06845	0.6
445.08960	0.8
447.10641	9.6
457.09164	11.1
475.10205	100.0
476.10474	3.9
489.11841	0.7
506.30716	0.8
507.21185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77411	0.3
52.75029	0.3
63.40155	0.3
64.43671	0.3
67.05476	0.4
69.17490	1.8
81.07018	1.4
91.05477	0.4
93.07002	0.6
95.08603	0.3
105.07001	0.4
107.08595	0.4
119.01920	0.6
119.08450	0.3
121.79961	0.3
130.28575	0.3
133.09976	0.4
149.02286	0.5
151.07458	0.4
161.02989	0.4
167.06952	0.5
185.04176	0.6
201.03648	1.1
203.05269	1.5
227.05174	0.8
243.04747	6.0
245.06313	3.9
259.16714	4.2
271.04202	1.6
287.03723	49.6
288.04037	0.9
289.05283	43.3
295.17413	0.3
351.86130	0.4
421.21634	0.9
463.17392	0.3
463.22974	10.0
507.21994	100.0
508.22391	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.4
66.31975	0.4
67.05492	0.5
68.79687	0.5
69.51774	1.6
71.79200	0.4
81.07072	0.7
93.07043	0.5
155.64203	0.5
190.08215	0.5
192.14195	0.5
195.00157	0.5
209.11493	0.8
257.59006	0.4
273.14655	1.8
286.04727	0.5
359.18225	1.0
380.38754	0.5
430.55090	0.5
431.01031	0.5
472.35687	0.5
507.27167	100.0
508.27481	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03945	2.3
55.05516	12.2
57.03447	7.6
57.07106	1.0
63.03078	0.8
65.03938	1.7
67.05510	42.4
68.42007	0.7
69.07079	11.6
69.65526	3.2
71.04990	1.3
71.08622	0.9
72.08138	1.7
73.87476	0.8
75.04512	1.3
77.03945	1.0
79.05499	30.2
81.07061	39.4
83.08624	5.9
91.05483	14.5
93.07048	32.6
95.04969	2.7
95.08613	33.1
97.06535	3.0
97.10181	2.9
98.23109	2.5
98.98473	51.0
99.08134	1.2
105.04494	1.6
105.07034	10.6
107.08589	17.0
109.10160	12.2
111.08114	1.2
117.07027	4.4
119.08592	9.5
121.10157	14.6
123.08086	1.7
123.11715	3.8
131.08578	5.9
133.10138	6.8
135.04370	1.1
135.11685	8.2
137.13290	1.5
143.08914	1.0
145.10135	5.8
147.11678	6.1
149.09590	1.1
149.13304	4.5
151.07562	0.8
155.01044	20.7
157.74893	0.8
159.11763	4.0
161.13307	4.1
163.14822	3.0
173.02167	6.2
173.13298	2.9
175.14833	1.8
179.36237	0.8
181.08621	1.4
187.14835	1.8
190.45763	0.8
201.16309	0.9
229.04712	1.7
243.21094	5.7
247.05806	4.4
261.22165	11.7
299.23770	1.1
317.24719	6.5
335.25815	100.0
336.26248	2.9
370.17502	1.0
415.22537	1.1
471.25043	5.9
497.80267	0.9
507.19266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2698
Annotation	Isoamoritin
Peak:m/z	Relative Intensity
55.05509	3.7
57.03427	4.2
57.06814	1.4
57.07074	14.0
63.69553	0.8
67.05499	6.1
67.26008	0.7
69.07072	4.1
71.08621	8.4
79.05487	1.6
81.07052	7.2
83.08612	2.9
85.10173	6.0
91.05476	1.2
93.07034	3.0
95.08598	9.3
97.10172	2.2
98.23505	1.7
104.10743	3.1
105.07037	1.6
107.08607	1.3
109.10158	3.9
115.03699	1.6
117.06993	0.9
119.08588	2.0
120.96631	1.0
121.10126	1.2
133.10117	1.4
147.11734	0.9
151.07626	1.2
176.97725	1.1
176.99242	19.4
195.00293	42.8
213.00140	1.1
239.23776	0.8
269.04001	3.4
275.19962	0.8
313.27350	18.4
317.24771	1.7
330.09491	0.7
353.26584	3.0
415.22241	8.5
433.23114	1.6
435.20587	0.8
471.34848	1.0
489.25864	6.9
507.26889	100.0
508.27029	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02032	1.2
54.46685	1.3
55.05504	1.9
55.59764	1.0
57.07075	2.5
67.05492	3.8
71.15821	1.2
71.46669	1.3
79.05499	1.8
81.07059	3.0
91.05482	1.9
93.07071	1.6
95.08598	2.5
96.01878	3.4
109.10153	1.6
121.10148	2.5
133.10123	2.0
151.07486	1.5
153.01591	8.4
162.37299	1.3
180.11223	2.8
181.08574	1.3
209.11487	100.0
210.11934	3.6
220.14400	8.4
235.13113	1.7
237.14479	2.3
249.14630	67.6
265.14093	3.3
273.14606	5.7
283.17007	2.1
311.14636	2.4
339.23062	1.5
364.43799	1.5
377.26599	1.8
380.83682	1.5
443.29120	1.4
507.27295	63.7
507.34686	2.3
508.27249	3.7
521.40308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03931	1.4
55.01863	1.5
55.05498	1.1
58.88447	0.5
67.05492	1.8
69.80842	1.0
69.81218	1.0
77.03920	1.9
78.04704	0.7
79.05475	1.8
79.20918	0.4
81.03428	0.5
81.07054	2.0
89.03899	1.1
90.04691	0.5
91.05472	13.6
93.07039	14.9
95.04973	6.5
95.08576	1.1
97.02863	0.6
97.06517	0.7
97.10196	0.7
98.23331	1.1
102.04659	0.7
103.05466	18.0
104.06226	2.1
105.03386	1.7
105.04514	3.5
105.07018	2.9
106.04133	0.7
107.04932	4.7
107.08574	0.8
109.10147	0.7
115.05456	1.0
117.03341	1.4
117.07008	0.7
118.04161	2.3
119.04913	1.8
119.08621	0.7
120.05688	1.7
121.06496	72.8
122.06853	0.7
123.04412	2.3
130.04131	1.2
131.04918	22.5
132.05705	25.1
133.02815	4.2
133.06488	3.1
134.03653	0.7
135.04419	2.2
135.08008	0.7
136.07515	0.9
137.05946	1.6
138.09114	0.9
140.04694	0.6
145.02826	1.6
145.06508	1.1
146.03593	0.8
147.04425	2.7
148.05196	3.7
149.02376	0.5
149.05968	3.3
150.05525	0.7
150.09116	0.7
151.07597	2.7
159.04399	3.2
160.05190	14.7
161.02399	0.8
161.05945	6.0
162.06735	1.6
163.03894	6.1
163.07549	5.0
164.06998	0.8
165.05478	2.6
167.05725	0.8
167.07028	11.2
171.04341	0.7
171.31615	0.5
173.02345	0.6
173.05972	1.4
176.04709	2.3
177.05461	14.6
178.04977	2.4
178.06308	0.8
179.07034	7.3
180.07797	11.2
181.04979	1.5
181.08577	1.1
182.09331	1.7
183.06519	2.1
184.06860	0.6
187.03891	13.9
189.05515	0.6
191.07024	30.8
192.07794	100.0
193.08456	2.8
195.13866	0.7
199.03886	2.2
201.05482	0.9
207.06483	4.0
208.07275	1.8
209.08014	0.6
210.07005	0.7
210.08859	1.7
217.05002	1.0
219.08054	0.7
233.05942	1.2
237.09045	0.7
247.07588	0.9
250.06184	0.6
257.87885	0.5
261.05576	0.7
262.06100	0.6
263.07040	1.1
265.08566	0.8
270.11261	0.6
275.06906	0.7
278.05673	0.6
279.06488	0.9
279.89474	0.5
281.07755	0.5
287.03778	0.7
289.05264	4.3
291.06351	0.7
293.08115	1.2
293.21149	1.1
295.09747	0.7
297.07639	0.5
298.10724	4.3
308.06674	0.6
309.07553	0.6
311.09213	0.6
311.22046	0.7
313.10611	0.6
318.24405	0.6
319.09323	0.6
321.07596	3.0
323.09079	0.8
324.12238	5.2
325.10626	1.2
336.25223	1.6
341.10181	12.8
353.10175	16.2
354.10037	0.9
371.11234	21.2
464.23514	0.7
478.18680	5.9
491.22601	0.9
508.19601	72.8
508.32071	2.3
509.23093	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03247	0.6
57.03430	2.0
61.02902	0.7
66.26904	0.6
69.03434	8.4
70.06573	2.3
71.24074	0.7
72.08154	1.4
73.96925	0.7
81.07073	0.8
84.08146	1.1
85.02903	7.3
85.97760	0.7
86.09687	1.5
87.04472	5.9
87.86452	0.7
97.02889	7.5
98.23413	2.1
107.08588	1.0
115.03922	9.3
116.07068	0.7
120.08112	1.0
123.04408	1.8
127.03873	1.4
133.04976	8.5
134.61589	0.7
136.26126	0.7
140.04669	10.8
145.05099	0.9
155.07018	22.1
177.05460	1.0
197.08090	100.0
225.14851	0.7
240.62711	0.7
282.03546	0.8
508.27631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.6
55.01877	8.9
55.05510	7.1
57.03443	8.8
61.02921	8.6
67.05493	8.9
69.03415	25.1
69.07060	5.4
69.18799	21.8
70.06597	5.7
71.05008	8.1
72.08161	6.8
73.02918	7.3
79.05473	8.4
81.03418	24.2
81.07059	6.6
84.08144	4.8
84.14607	3.4
85.02901	60.1
86.09695	10.0
87.00832	25.4
87.04476	4.7
91.05476	41.3
92.05788	3.9
93.07037	11.1
95.04985	10.8
95.08624	6.0
97.02894	40.0
98.22678	5.8
99.04433	17.1
105.01880	23.7
105.07046	28.0
106.06551	6.7
107.04945	5.5
107.08583	14.0
109.02885	25.8
109.10123	5.2
110.07120	5.9
115.03985	6.3
115.05474	4.1
117.06945	4.6
119.04945	7.9
119.08586	49.1
120.08095	11.1
121.06519	4.4
121.10161	13.8
127.03915	58.5
129.06927	5.2
131.04929	3.6
131.08577	18.7
133.04980	4.2
133.10143	20.9
134.08113	7.8
135.08061	6.1
135.11697	4.5
137.05980	13.4
137.09572	5.4
138.05510	24.7
143.08571	10.9
144.09314	8.7
145.02864	11.5
145.05005	22.7
145.06514	3.4
145.10129	11.8
147.02861	4.0
147.04433	7.3
147.08043	11.3
147.11684	23.0
149.05940	6.6
149.09633	12.6
151.07489	9.4
152.07060	9.7
156.09361	14.5
157.10115	4.2
159.02893	12.3
159.08026	4.6
159.11693	70.5
161.13255	57.2
170.08131	9.9
171.11723	46.9
173.04503	5.1
177.05464	17.0
179.07007	5.3
179.14337	4.7
189.12746	100.0
200.29147	3.3
206.08138	4.4
207.13812	45.0
211.37840	3.6
227.12782	5.5
231.04968	9.0
437.17926	5.3
455.19016	9.6
508.17725	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78130	0.5
54.10585	0.5
65.03970	0.6
69.30822	3.2
77.03927	0.7
79.05498	1.5
91.05486	2.6
93.00236	0.7
94.04197	3.0
98.23194	2.3
103.05453	2.0
105.07037	1.2
106.04182	0.8
107.04945	2.3
108.05733	1.0
109.06528	1.4
109.68143	0.7
113.64075	0.6
117.07013	0.8
119.04947	0.9
121.06512	2.5
122.03656	6.8
123.04447	1.2
123.08048	0.9
128.06250	2.3
129.06998	1.1
131.04945	3.0
133.06479	3.5
135.04420	1.4
135.08031	0.8
136.05223	4.0
137.05984	100.0
138.06367	1.3
139.07446	0.6
143.04927	1.6
143.08580	2.8
145.06493	2.4
146.07297	0.7
147.08060	2.0
148.05193	8.5
149.06000	1.1
150.06758	1.4
151.03943	1.2
151.07555	16.9
152.08250	1.0
153.09059	0.7
157.06493	3.0
158.07268	0.6
159.08038	1.9
161.05988	1.8
163.07558	6.8
165.05444	0.9
165.09140	4.1
166.06259	15.5
167.07060	7.5
168.07829	0.8
168.22990	0.6
171.08073	4.1
172.08830	0.7
173.05991	2.6
173.09612	0.7
174.06793	3.3
175.07597	3.1
176.08342	2.8
177.09113	6.4
179.07040	1.2
180.07793	2.3
181.08601	78.3
182.09052	1.6
183.10178	1.0
187.07567	3.8
188.08311	3.3
189.07474	1.0
189.09120	13.5
190.09824	1.6
192.07870	0.7
193.08609	2.2
195.10168	3.7
201.09157	3.1
202.09915	3.8
203.06909	0.9
203.10663	9.7
205.08551	1.2
207.10165	5.5
216.11488	3.5
217.08655	0.8
217.12155	1.3
217.57991	0.7
219.10152	2.0
221.11737	2.0
233.11719	7.6
247.13313	9.5
279.13770	0.6
307.13177	1.0
308.13953	0.8
311.12869	0.6
339.15894	9.7
340.16589	3.9
341.13611	0.7
356.16190	9.8
371.18546	60.6
372.18845	1.5
389.19595	4.4
405.09027	0.6
431.20474	1.5
439.18402	0.7
461.86652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89362	0.5
69.83025	0.6
69.83378	2.1
78.04703	2.5
78.33665	0.6
79.05495	2.2
81.07043	0.9
88.64130	0.6
91.05480	2.6
91.31339	0.5
92.02598	0.7
93.07047	0.7
95.04971	1.4
98.22743	1.2
103.05460	2.0
103.53221	0.6
105.03387	1.7
105.07027	2.0
106.04176	4.0
106.11043	0.6
107.04953	5.7
108.05731	2.0
109.06453	0.8
110.81465	0.6
114.57956	0.7
115.05411	0.9
117.07052	0.8
117.84594	0.6
119.04951	1.2
121.06479	3.4
123.04417	2.5
123.08064	1.5
124.05205	2.1
128.48877	0.6
129.06975	1.0
131.04904	2.8
133.06459	1.1
134.03619	7.0
135.04396	1.3
135.08047	1.3
136.05212	4.1
137.05952	3.8
141.07011	1.4
145.06439	0.7
146.07236	2.1
147.04300	0.6
147.08025	1.8
150.06757	3.7
151.07529	84.0
152.04684	10.9
152.07819	1.0
158.07278	1.5
159.07997	1.7
160.05223	0.8
160.08743	0.9
161.05992	1.4
161.09962	2.9
163.07539	11.3
165.09106	12.1
166.06293	1.2
167.07022	100.0
168.07330	2.0
171.08049	1.0
173.05911	0.9
173.09550	1.7
174.06744	2.3
175.07541	1.8
177.09087	14.3
181.08589	5.7
186.10370	2.1
187.07558	5.2
188.08298	3.1
189.09076	6.6
191.10666	1.1
193.08574	1.7
201.09096	8.0
202.09889	3.8
203.10629	3.4
207.10106	1.1
208.32899	0.6
215.10486	1.0
217.12224	17.7
218.12579	0.8
219.10153	1.4
233.11694	7.4
276.23120	0.7
307.13141	2.2
308.13940	1.8
339.12057	1.0
339.15897	14.0
340.16223	0.6
356.16214	3.0
356.19974	0.9
371.18500	44.1
372.18661	1.0
386.08768	0.8
389.19333	1.8
399.17941	1.8
415.38660	0.6
448.13763	0.8
508.34018	2.0
509.23386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89859	1.0
69.90208	2.5
79.05483	0.8
98.22652	1.0
107.04959	1.4
121.06557	0.9
137.05969	2.4
141.06931	1.1
143.04924	1.1
146.07153	1.5
151.07549	12.6
157.06473	1.9
159.07994	1.7
163.07539	2.1
165.09134	2.3
167.07010	3.1
168.05742	1.0
169.06454	1.8
171.08040	4.3
172.08865	4.0
173.06061	1.0
173.09692	0.9
174.06830	1.1
174.10396	0.9
175.07591	1.0
177.09134	2.7
182.62123	1.0
183.08092	1.7
184.08833	8.1
185.05977	2.7
188.08333	12.4
189.09056	1.9
200.08310	4.5
201.09135	1.8
201.24725	1.0
203.10684	9.3
205.12201	2.9
208.90981	1.0
215.10672	33.6
233.11691	17.2
275.12778	100.0
276.13052	2.1
293.11618	1.0
322.15317	0.9
325.14194	1.7
353.17322	1.8
357.16919	2.1
397.22623	0.9
489.77005	1.0
508.29501	2.4
509.23499	1.0
509.30820	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93610	6.2
71.22731	6.7
78.57127	5.6
91.32765	6.0
105.68912	6.7
107.04961	7.9
112.73783	6.1
115.09744	6.7
134.47910	7.0
135.04449	7.7
147.53951	5.9
151.07535	100.0
161.05994	6.2
166.06281	8.5
177.09186	8.6
181.08615	67.7
334.73459	7.1
370.17892	16.5
385.20187	64.2
403.21109	38.9
508.21957	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64005	1.8
53.03936	2.3
55.01871	4.2
55.05505	17.3
57.03441	2.4
57.07084	2.2
67.05503	38.8
69.03424	6.8
69.07071	23.4
71.04996	3.9
79.05496	24.5
81.03425	4.0
81.07056	53.7
83.04978	3.7
83.08621	19.1
85.02897	15.5
85.06530	4.3
91.05484	23.4
93.07043	41.1
95.04958	4.7
95.08614	22.3
97.02883	2.7
97.06520	8.6
97.10169	10.6
98.50084	1.9
99.08069	2.2
105.07030	20.9
107.04965	3.9
107.08590	36.3
109.06551	3.8
109.10139	9.6
111.08069	6.5
115.03878	2.2
117.07017	8.8
119.08586	16.4
121.06503	4.3
121.10109	13.3
123.08138	2.3
123.11710	5.0
125.09612	6.7
125.55536	2.5
131.08601	13.5
133.10132	26.0
135.08052	4.9
135.11658	12.3
137.09647	3.5
143.08516	2.6
145.10124	9.7
145.63419	2.0
147.11681	10.3
149.09636	11.0
149.13251	20.5
151.07538	4.2
151.11198	3.6
157.10161	3.7
159.11684	13.8
163.11221	3.5
165.09109	7.3
167.14345	2.4
173.13245	3.3
177.12737	9.6
183.11784	2.2
189.11246	7.3
195.13802	71.8
201.12813	2.3
213.14845	66.3
214.15161	3.6
235.16884	14.5
237.14876	2.6
239.17957	4.4
249.14816	3.6
257.18994	7.9
275.17004	4.7
275.20044	100.0
276.20416	2.8
293.21127	20.4
303.15805	2.2
508.32733	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05508	23.5
57.03428	7.0
57.07075	13.6
57.07344	2.1
61.02913	6.3
67.05164	3.1
67.05504	44.6
69.03419	2.6
69.07070	43.3
71.08633	10.4
71.47573	2.5
73.02895	2.7
79.05495	26.2
81.07054	54.7
81.73509	2.2
83.08620	43.4
85.02895	5.3
85.06539	2.5
85.10173	4.2
91.03942	2.0
91.05474	6.4
93.07034	30.8
95.08603	47.8
97.02856	3.3
97.06530	13.3
97.10175	22.2
98.98470	5.9
99.08091	2.7
104.10738	3.9
105.06976	2.6
107.08596	24.3
109.10156	19.2
111.08092	8.1
111.11733	5.3
112.29858	2.4
115.11217	2.4
119.08585	4.2
121.10136	52.8
123.11713	19.3
125.09647	3.1
133.10146	2.5
135.11697	43.7
137.05972	4.4
137.13252	12.7
139.11156	2.7
141.12712	3.1
149.13245	16.6
151.07553	18.4
151.14903	2.1
155.01039	4.0
163.07532	3.7
163.14816	5.8
165.09058	3.8
167.07016	11.2
167.14316	3.5
173.02113	2.4
177.09116	4.1
177.16513	3.3
184.07285	7.0
215.00154	2.6
219.21091	58.3
237.19684	4.9
237.22115	100.0
238.22429	2.2
255.23152	22.8
279.23749	2.2
311.22314	4.3
311.25806	71.0
312.26099	3.3
329.26801	43.3
334.83542	2.4
337.27335	19.3
339.15759	6.4
352.76953	2.3
371.18451	3.8
508.19238	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.6
57.03433	8.0
57.07083	14.6
61.02934	6.4
67.05508	42.5
69.03423	2.0
69.07072	42.7
71.04993	2.6
71.08630	8.3
75.04467	2.3
79.05499	20.1
81.07064	56.1
83.08625	38.9
85.02921	5.6
85.06567	3.8
85.10194	3.5
86.09737	2.3
91.03970	2.4
91.05479	2.2
93.07051	25.3
95.08611	41.4
97.02900	2.2
97.06531	9.5
97.10173	26.2
104.10759	4.6
107.08594	19.8
107.45634	1.8
109.10167	21.2
109.74116	1.8
111.08116	7.3
111.11752	7.5
119.08611	2.2
121.10155	42.8
123.11719	17.3
125.00102	1.8
125.09625	3.9
125.13281	1.8
127.11173	1.7
129.09138	1.7
135.11705	36.5
136.05164	1.8
137.05959	1.7
137.13240	13.2
139.11176	2.1
149.13277	16.3
151.07576	8.2
151.14865	2.2
153.12738	3.0
163.07477	1.8
163.14825	9.1
167.07080	5.1
174.05026	1.6
177.09209	1.8
177.16377	3.1
184.07338	4.6
189.89577	1.7
195.17175	1.7
203.65633	1.8
219.21086	44.7
220.21545	2.3
237.22134	100.0
238.22520	2.7
248.90860	2.0
255.23199	22.8
311.25803	80.2
312.26080	3.3
318.69629	1.7
329.26883	47.6
337.27444	5.4
371.18619	3.0
381.29916	4.6
399.31436	3.1
473.34689	7.0
508.19171	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48520	1.8
69.48904	1.8
81.07066	1.2
84.49992	0.6
95.08611	1.0
203.05327	2.2
227.05287	1.3
243.04865	6.1
243.17245	1.1
245.06348	5.9
261.18237	6.3
271.04230	1.7
287.03717	47.6
289.05289	68.6
290.05719	0.9
465.24570	8.6
491.22290	1.7
509.23575	100.0
510.24097	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91547	0.4
55.05491	0.7
67.05477	1.5
69.03445	0.4
69.07036	0.9
69.65479	0.3
70.67768	0.7
79.05461	0.8
81.07013	1.7
88.63995	0.4
91.05460	1.4
93.07051	2.5
94.36074	0.4
95.08566	1.2
95.44078	0.4
101.39696	0.4
102.38849	0.5
105.07001	1.5
107.08559	1.1
109.10109	0.7
119.08560	0.9
126.99995	0.5
133.10063	0.7
135.11719	0.5
147.11618	0.6
167.03143	0.6
185.04225	0.8
203.05272	3.3
213.14743	0.4
227.05229	1.6
229.03290	0.6
243.04785	1.3
245.06316	7.3
261.18243	0.7
271.04276	1.4
287.03735	16.9
289.05280	93.1
290.05701	1.4
304.50839	0.5
322.19449	0.4
406.59674	0.5
423.23407	0.8
447.23453	0.5
465.24594	11.8
491.22565	7.0
509.23557	100.0
510.23666	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2357
Annotation	Difluprednate
Peak:m/z	Relative Intensity
64.26150	0.7
67.49152	0.7
69.24773	2.3
69.25172	1.8
90.52748	0.8
93.07059	0.9
96.56287	0.7
98.22670	1.5
149.87608	0.8
151.29189	0.7
160.14757	0.7
246.75009	0.9
247.90271	0.8
261.18365	1.3
271.04446	0.9
287.03864	1.9
289.05347	2.0
344.09915	1.0
405.22388	0.9
423.23340	3.6
447.23450	5.3
465.24554	21.0
491.22470	36.7
492.22781	0.8
509.23560	100.0
510.24036	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88888	0.4
67.05493	0.9
68.84138	0.4
69.07037	1.5
69.27410	2.2
71.04988	4.0
71.43357	0.3
81.07056	4.9
86.67329	0.3
90.53323	0.3
95.08593	3.4
105.07000	0.6
109.10110	1.0
141.22690	0.4
155.71947	0.4
161.03052	0.5
203.05280	3.1
216.10985	0.6
227.05284	1.1
229.03131	0.4
245.06306	5.9
271.04279	1.0
276.13159	0.7
287.03754	9.4
289.05286	100.0
290.05713	1.3
301.12994	0.5
307.22647	0.5
308.06442	0.4
345.24146	0.4
465.24570	4.4
509.23550	70.8
509.29791	2.5
510.23856	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2723
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
53.46727	0.2
60.95255	0.2
69.56402	1.1
72.08150	0.5
75.06796	0.3
120.08103	1.3
151.07594	0.5
167.06905	0.3
185.04214	0.3
217.15742	0.3
394.21564	0.3
509.27197	100.0
510.27554	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.9
55.05511	14.7
57.03442	7.2
57.07065	2.7
57.97934	0.7
65.03945	1.2
67.05502	37.5
69.06725	1.1
69.07071	15.0
69.79725	1.3
71.08611	1.0
79.05484	10.4
81.07051	35.2
83.08611	8.3
85.06567	0.7
85.10181	0.9
86.09686	1.5
86.86502	0.6
91.05476	6.5
93.07050	10.4
95.04937	1.4
95.08604	26.9
97.06532	2.4
97.10163	4.0
97.91448	0.8
98.98459	33.5
99.08064	1.2
104.10741	6.9
105.07025	4.8
105.11073	1.0
107.08583	6.4
109.06431	0.9
109.10147	10.5
111.08100	0.7
111.11703	0.9
116.99510	0.8
119.08547	4.8
121.10137	5.3
123.11674	4.0
125.00041	0.7
133.10095	3.8
135.11671	2.2
136.99933	0.8
137.13251	1.2
147.11676	2.2
149.13208	1.7
151.14764	1.0
155.01021	16.8
161.13260	1.3
163.14841	2.0
169.37645	0.6
173.02057	4.2
175.14874	0.8
177.16251	0.8
195.00238	0.9
229.04709	3.0
245.22635	2.7
247.05782	1.9
263.23737	5.3
265.80084	0.8
285.28308	0.8
293.01477	0.7
319.26395	1.9
337.27341	100.0
338.27850	3.5
425.91025	0.9
473.26514	7.1
509.20410	2.9
509.27676	2.8
509.37943	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10838	0.5
59.68782	0.6
63.56187	0.6
67.05499	1.3
69.07055	0.7
70.36837	1.0
71.21502	0.6
79.05479	0.9
81.07037	1.0
91.05467	0.7
93.07048	1.1
95.08599	0.7
105.07020	0.8
121.10106	0.7
195.26794	0.6
201.03650	3.6
203.05263	4.3
272.15509	0.6
274.20154	0.7
287.03772	1.1
289.05252	3.8
329.24503	4.0
331.26038	9.0
344.81549	0.7
377.12421	0.6
465.24530	2.6
509.23508	16.4
509.30762	100.0
510.31198	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51369	0.6
55.58938	0.6
57.03435	2.2
59.29471	0.7
60.04514	0.7
60.59314	0.7
65.03928	0.9
69.03439	8.2
70.06596	1.7
71.44032	0.7
72.08193	0.8
80.47002	0.6
81.03429	1.2
85.02911	7.7
87.04476	6.7
91.05493	5.1
93.07039	4.6
95.04990	1.0
97.02899	8.0
98.06102	0.7
103.05458	3.4
108.60074	0.6
108.96102	0.7
112.07631	0.7
115.03934	8.3
119.04966	1.0
120.05765	0.9
121.06506	8.6
127.03967	0.8
133.04980	9.4
136.07573	0.8
137.05994	1.5
144.06590	0.8
145.02969	0.6
145.04997	1.3
149.05974	4.3
150.07625	2.1
150.15448	0.8
151.03938	1.0
163.95981	0.7
166.06274	4.5
181.08606	100.0
182.08972	1.1
189.88269	0.6
195.10121	0.8
199.07962	1.1
199.09662	8.2
223.09627	0.8
242.49893	0.7
265.10916	1.7
277.10724	0.7
337.44247	0.7
349.99307	0.7
368.97372	0.7
419.35706	0.7
510.18549	1.2
510.25287	1.1
511.14212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73321	0.3
55.62301	0.3
67.05507	0.4
69.25571	1.6
75.04486	0.4
77.03938	0.5
78.04723	0.4
79.05472	0.9
91.05469	1.9
95.04964	0.9
102.51588	0.3
105.05516	0.3
105.07020	0.7
106.04189	0.5
107.04942	1.1
108.05745	0.4
109.06505	0.7
118.04140	0.3
119.04948	0.4
120.05727	0.8
121.06489	1.1
122.07256	0.6
123.04417	0.7
123.08051	0.6
131.04843	0.4
133.06468	2.0
134.95282	0.3
135.04466	0.3
135.08051	1.0
136.05193	3.0
137.05977	3.2
138.06776	2.0
145.06462	1.0
146.07245	0.4
147.04420	0.4
147.08029	0.6
148.05186	11.9
149.05952	0.5
150.06781	0.3
151.03934	1.6
151.07553	4.2
153.05423	0.4
153.09137	0.5
159.08028	1.2
161.05980	2.9
162.06734	0.5
163.07545	1.5
164.08200	0.3
165.05495	1.4
165.09099	2.2
166.06258	12.1
167.07047	3.2
168.07796	0.4
171.08173	0.4
172.08755	0.4
173.06004	0.6
173.09593	0.6
174.06778	0.4
175.06117	0.3
175.07416	1.7
176.08322	3.2
177.09108	4.9
179.06993	0.9
180.07793	1.9
181.08589	100.0
182.09000	1.9
186.06693	0.4
187.07562	1.2
188.08342	0.9
189.09077	1.8
190.09885	1.6
191.07034	1.2
191.10698	1.8
192.07784	0.6
193.08609	5.5
194.09348	0.9
195.10153	6.7
196.24220	0.3
200.08177	0.3
201.09128	1.8
202.09834	2.5
203.06950	1.5
203.10757	0.9
205.08597	1.0
206.09372	0.8
207.10161	8.7
209.11655	0.8
216.11467	2.1
217.08577	0.8
217.12199	0.5
218.09370	1.2
219.10172	1.1
220.10849	0.4
221.11700	1.5
231.10167	0.7
232.10944	0.6
233.11707	4.5
235.13239	0.5
247.13254	3.2
251.12756	2.7
265.14331	1.0
337.14285	0.4
352.16580	0.4
369.16779	0.8
383.18417	3.2
384.19394	2.8
385.20193	0.5
388.64481	0.3
400.18814	5.1
401.19354	0.9
415.21146	18.5
416.21240	0.7
433.22217	14.4
434.22375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
55.05507	16.6
57.03432	3.7
57.07077	2.1
58.20034	1.3
61.02943	1.5
67.05502	31.2
69.03419	5.4
69.07063	9.3
69.11425	4.6
69.11855	4.8
71.03027	1.1
71.04975	3.8
71.08621	9.1
71.65386	1.1
73.02911	3.0
76.53732	1.3
79.05492	15.6
81.03416	4.6
81.07056	42.9
83.04968	4.8
83.08617	15.7
85.02908	12.3
85.06533	3.9
91.05477	13.8
93.07044	27.0
95.04959	4.2
95.08610	16.8
97.02889	3.8
97.06537	8.1
97.10162	10.4
99.08071	8.3
105.07021	7.3
107.04945	1.8
107.07931	1.7
107.08593	18.4
107.19032	1.4
108.63760	1.5
109.02878	2.2
109.06525	2.4
109.10164	4.6
111.08083	5.0
117.07003	6.4
119.08591	4.1
121.06511	1.5
121.10125	8.1
123.11674	4.4
125.09657	8.3
127.03915	4.0
129.06961	1.9
131.08575	7.2
133.10130	13.5
135.08061	3.5
135.11697	11.8
144.37157	1.3
145.04941	3.4
147.11671	3.3
149.12076	2.5
149.13243	26.1
151.11177	9.4
153.05431	1.3
153.07237	1.2
159.11667	12.4
161.13239	3.9
163.11203	4.3
165.12843	3.0
167.14296	1.3
175.63977	1.2
177.12746	8.1
179.14325	3.5
185.13078	1.2
189.11209	9.4
195.13803	96.1
196.14217	1.4
205.47031	1.3
213.14845	100.0
237.14772	3.6
249.14810	6.8
259.20563	3.2
277.21616	25.1
279.15891	3.4
285.14706	1.5
295.22656	17.2
303.15717	4.0
321.16989	1.7
339.17990	2.1
357.18927	2.9
392.93454	1.7
466.31638	2.4
510.34042	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3567
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
52.82405	0.5
55.05473	0.9
56.05024	1.2
57.03427	1.3
57.07074	8.8
58.06588	1.3
60.04522	0.7
60.07874	1.0
60.08162	18.2
62.06075	1.1
64.46568	0.5
67.05506	3.7
69.07053	2.7
69.82396	1.6
70.06578	0.8
71.07374	6.2
71.08627	5.6
72.07239	0.6
73.93745	0.6
79.05476	0.9
81.07050	4.9
83.08616	2.8
85.02901	0.6
85.10165	3.1
86.09702	48.3
91.05480	0.9
93.07043	1.5
95.08588	5.6
95.21334	0.6
97.06572	0.6
97.10165	1.1
98.98463	3.3
104.10738	96.5
105.07027	0.6
105.11079	1.0
107.08582	0.9
109.10175	2.9
111.11739	0.6
117.07012	0.6
119.08552	0.8
121.74068	0.5
123.11681	1.2
124.99999	27.0
125.09634	0.6
147.11708	0.6
163.01529	0.8
171.90443	0.6
184.07332	100.0
213.48994	0.6
239.23688	3.5
256.19037	0.9
258.10928	1.0
303.23050	1.3
313.27368	11.3
327.28857	1.7
331.28424	1.8
396.22012	0.7
492.34506	9.5
510.20425	3.4
510.35498	38.4
511.35727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3567
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
52.82405	0.5
55.05473	0.9
56.05024	1.2
57.03427	1.3
57.07074	8.8
58.06588	1.3
60.04522	0.7
60.07874	1.0
60.08162	18.2
62.06075	1.1
64.46568	0.5
67.05506	3.7
69.07053	2.7
69.82396	1.6
70.06578	0.8
71.07374	6.2
71.08627	5.6
72.07239	0.6
73.93745	0.6
79.05476	0.9
81.07050	4.9
83.08616	2.8
85.02901	0.6
85.10165	3.1
86.09702	48.3
91.05480	0.9
93.07043	1.5
95.08588	5.6
95.21334	0.6
97.06572	0.6
97.10165	1.1
98.98463	3.3
104.10738	96.5
105.07027	0.6
105.11079	1.0
107.08582	0.9
109.10175	2.9
111.11739	0.6
117.07012	0.6
119.08552	0.8
121.74068	0.5
123.11681	1.2
124.99999	27.0
125.09634	0.6
147.11708	0.6
163.01529	0.8
171.90443	0.6
184.07332	100.0
213.48994	0.6
239.23688	3.5
256.19037	0.9
258.10928	1.0
303.23050	1.3
313.27368	11.3
327.28857	1.7
331.28424	1.8
396.22012	0.7
492.34506	9.5
510.20425	3.4
510.35498	38.4
511.35727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53294	1.0
52.00178	0.9
53.03939	1.8
55.05513	7.4
56.94711	1.1
57.03448	5.0
57.07078	61.7
57.11404	0.9
61.02924	3.8
62.06073	3.5
67.05508	17.4
69.03420	3.1
69.07069	12.5
69.26843	1.9
69.27261	4.2
70.06593	1.6
71.08631	45.8
75.04464	1.9
79.05501	1.7
81.03407	2.5
81.07056	26.0
83.08618	15.1
85.02905	12.6
85.06541	1.1
85.10181	26.6
85.10699	1.4
86.09716	1.6
91.03960	1.1
93.07015	2.1
95.08605	39.2
97.02892	4.5
97.06525	1.2
97.10177	8.8
98.23441	2.0
99.04463	1.7
99.11751	2.2
104.10735	4.1
105.07018	1.2
109.02842	1.5
109.10151	18.3
111.11749	2.6
117.09138	0.9
118.61406	1.0
123.11723	8.4
125.13239	1.7
127.03935	7.2
137.13252	3.5
145.04990	5.4
151.14816	1.2
165.16400	1.4
184.07294	2.7
187.03288	1.0
194.33009	1.1
208.64099	1.1
217.30823	1.1
221.22685	2.2
238.21992	1.1
239.23705	51.5
257.24802	5.5
275.20010	2.4
298.27216	1.5
308.75439	1.1
313.27362	100.0
314.27707	2.3
329.26663	1.1
331.28436	21.0
383.27930	13.1
401.28979	32.1
510.20798	14.3
510.34738	1.2
511.20389	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1938
Annotation	PHYSALIN B
Peak:m/z	Relative Intensity
53.95588	0.4
67.05529	0.5
69.71891	1.5
84.08156	0.5
98.23393	0.9
107.04951	0.8
151.07497	0.5
167.07047	1.9
210.84550	0.5
215.10721	0.6
451.17508	1.0
511.19403	100.0
512.19830	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
65.03911	0.4
67.05520	1.6
69.07074	0.6
69.61314	0.9
70.06570	0.3
71.05006	0.5
76.03104	0.3
79.05502	0.8
81.03406	0.3
81.07041	1.0
81.42181	0.3
83.08653	0.3
84.08144	3.1
85.02890	0.6
91.05479	3.6
93.07056	2.4
95.04967	2.2
95.08605	0.8
100.11260	0.5
103.05475	7.0
105.04504	0.3
105.07021	0.8
107.04984	0.7
109.10140	1.0
110.06048	1.4
112.07605	0.7
115.05424	0.3
117.07011	0.6
118.06551	0.5
119.04957	1.5
119.07328	0.5
119.08568	0.4
120.08108	100.0
121.06499	0.4
121.08456	1.7
121.10141	0.3
123.04415	0.9
123.08080	0.6
129.07028	0.5
130.06537	1.7
131.04947	0.7
132.08018	0.5
133.06511	0.4
133.10175	0.3
134.05957	0.5
135.06897	0.4
135.08022	0.3
136.07585	5.4
137.06033	0.4
143.08571	0.8
146.05992	2.8
147.04410	1.1
150.26805	0.3
151.07542	7.9
151.08733	0.5
152.07877	2.3
155.08153	3.5
157.10101	0.4
158.06013	0.7
160.07619	2.3
161.09630	1.3
162.05533	0.4
165.05479	1.9
165.09106	0.6
171.04417	0.4
171.11668	0.5
173.09651	0.7
174.05521	0.9
177.09126	2.4
181.08678	0.5
182.08139	2.7
183.07643	0.5
185.09683	1.4
186.12755	0.4
187.11104	0.5
188.07024	0.5
189.05463	0.7
189.09119	5.3
190.12279	0.9
191.10646	1.5
192.11053	1.0
201.09169	0.5
202.12263	9.4
205.12233	0.5
206.08136	0.6
209.69603	0.3
212.10747	0.4
213.09155	1.0
214.12326	0.8
217.08713	0.7
219.10202	1.1
221.11795	0.5
230.11729	1.8
231.10164	4.3
236.12874	0.5
241.08528	0.3
248.12814	9.3
249.13246	0.4
259.09686	0.5
276.12268	0.4
290.15012	1.0
293.13065	0.4
302.14981	3.3
309.12317	0.9
318.14410	2.3
329.14911	2.2
330.14471	2.9
335.57611	0.3
336.15512	1.7
349.19418	0.4
350.67682	0.3
364.15015	4.0
383.19821	0.4
388.49228	0.4
395.19687	4.8
423.19348	0.4
430.30328	0.6
437.21872	1.9
465.21274	1.7
466.19772	0.4
466.93182	0.3
476.30722	0.5
483.22424	13.6
484.22757	0.7
493.21011	1.8
511.21793	12.1
512.22461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31070	0.5
58.87825	0.5
89.03621	0.5
90.64754	0.5
153.47742	0.5
185.04211	0.6
201.11720	0.5
270.09280	0.5
274.34827	0.5
453.20724	0.5
511.28723	100.0
512.28961	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55167	3.5
54.78268	3.4
69.43562	17.1
79.05504	8.0
80.10315	3.4
81.07084	3.3
86.18414	4.1
91.05490	7.6
101.54524	3.9
104.99326	4.2
105.07020	5.1
107.04962	6.7
108.05763	3.8
117.06998	9.4
136.75766	3.7
142.21925	3.4
145.06503	6.2
151.07535	100.0
158.07344	5.7
161.06041	4.0
165.09166	11.9
167.07022	4.6
172.08893	5.1
174.06688	6.8
177.09149	20.0
188.08307	7.7
189.09084	27.3
189.10594	3.8
191.06998	4.2
192.03960	6.2
194.07401	4.3
194.43736	3.6
195.08037	7.4
201.09108	44.0
203.10699	42.3
204.11455	4.9
205.08595	3.9
208.08896	4.5
209.09668	12.7
210.10347	22.9
211.11296	4.2
222.06601	4.2
223.11278	10.3
224.08362	6.0
224.11960	14.8
225.09081	9.3
226.09874	10.2
227.10727	8.9
229.12059	4.4
234.10374	4.4
239.10741	24.5
240.11450	9.4
241.12225	54.9
252.11479	11.3
255.13777	36.2
265.12225	22.2
268.11075	6.6
269.11774	22.7
283.13266	32.5
287.12759	5.5
301.14407	38.6
311.12747	30.9
315.15842	36.8
325.14233	5.4
329.13812	44.2
343.11560	4.9
343.15387	20.4
347.15027	19.1
355.08069	8.4
361.16483	43.5
371.14835	17.3
389.15945	43.2
403.17523	24.1
421.18475	10.6
431.16974	52.8
452.72067	4.1
453.15378	4.4
463.19745	39.0
481.14749	23.6
482.15628	5.1
512.35272	8.9
513.21362	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29813	1.0
53.03941	1.4
55.01873	2.2
55.05513	3.9
56.96565	0.9
57.03437	3.7
59.05003	1.6
60.63080	0.9
61.02937	3.1
61.63253	0.9
67.05508	6.8
68.05862	0.9
69.03444	6.8
69.07074	10.0
70.06597	3.6
71.05003	3.0
71.44869	0.9
73.02928	1.6
78.16316	1.1
79.05498	7.2
81.03417	17.3
81.07063	16.9
81.62126	0.9
82.03756	3.9
83.04980	2.4
83.08619	8.0
85.02398	2.2
85.02912	36.2
85.06542	1.6
86.09739	1.4
87.04469	1.3
91.03970	1.9
91.05472	8.5
92.05811	1.2
93.07050	48.9
94.07393	1.7
95.04971	5.7
95.08615	28.3
96.05307	1.3
97.02908	8.7
97.06538	5.7
98.97592	2.6
99.04461	2.2
105.04528	1.6
105.07030	3.3
107.04950	1.9
107.08604	39.6
109.02893	3.3
109.06516	1.3
109.10168	4.3
111.08051	1.3
119.08570	2.4
121.06532	1.6
122.03705	1.1
123.11702	2.0
127.03918	8.5
131.04929	1.0
131.08606	1.0
133.06464	2.3
135.08006	1.1
135.11687	26.1
137.05994	11.5
145.04977	10.8
151.04015	0.9
151.07562	1.2
152.05716	1.4
153.12750	7.0
157.10191	1.6
163.06047	3.0
163.07570	2.9
167.07045	1.9
170.74498	1.0
171.13814	100.0
172.14243	1.4
175.11304	1.4
177.05566	2.2
193.12277	9.5
194.12582	7.3
211.09702	2.3
211.13217	1.6
258.58133	1.1
267.15955	3.7
268.16281	5.2
285.16888	1.5
286.11194	0.9
286.17319	1.7
295.13171	1.2
310.17221	1.7
327.15909	4.0
333.19290	1.0
334.30145	1.1
379.12735	1.8
380.19559	1.1
480.17450	14.3
512.20325	5.9
513.17645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1397
Annotation	Phyllanthusmin C
Peak:m/z	Relative Intensity
57.03442	2.9
59.04971	0.5
69.03433	7.6
70.66758	0.2
70.92202	0.1
73.02921	0.7
75.04458	0.3
85.02908	5.5
87.04474	3.7
97.02892	4.2
108.06107	0.1
111.04440	0.4
115.03938	2.8
120.49783	0.2
133.04961	1.6
149.02386	0.2
165.05435	0.3
176.06178	0.2
178.07791	0.4
189.07008	0.3
190.07768	0.2
191.08438	0.3
192.05730	0.2
203.06990	0.2
205.06514	1.1
206.07262	2.0
207.08073	0.5
208.08873	0.4
216.05740	0.4
217.06444	0.3
218.07262	0.5
219.07983	1.0
220.08827	0.4
221.06000	0.4
221.09618	0.2
222.06645	0.4
224.08383	0.2
232.05112	0.4
233.05966	2.0
234.06761	5.4
235.07558	2.1
236.08237	0.4
237.05444	0.2
239.10594	0.2
244.05069	0.3
246.06691	1.0
247.07549	1.5
248.08315	1.6
249.05347	0.3
249.09126	3.2
250.06277	0.2
251.07027	0.7
251.10674	0.8
261.03085	0.2
261.05420	0.8
262.06296	3.1
263.07065	2.7
264.07809	1.2
265.08569	0.8
266.09399	0.5
267.10159	0.4
274.06244	0.9
275.07062	0.7
276.07822	1.5
277.08603	14.3
278.06036	0.3
278.09277	1.5
279.06638	0.5
279.10144	2.7
280.07202	0.2
289.04999	0.6
290.05609	1.3
291.06516	3.3
292.07306	1.4
293.04724	0.2
293.08084	0.6
294.08911	1.1
295.09674	0.7
302.05737	0.3
304.07266	0.8
305.08072	15.4
306.05353	0.2
306.08664	0.9
307.06268	0.3
307.09622	3.2
309.11169	2.4
318.05234	0.2
319.06030	3.9
319.09497	0.2
320.06790	0.9
321.07574	0.5
322.08362	0.3
323.09164	2.3
325.10886	0.4
331.05896	0.2
332.06885	0.2
333.07578	20.0
334.07910	0.7
335.05640	0.3
335.09119	4.3
336.06012	0.3
336.09665	0.3
337.10706	7.5
348.06311	0.2
349.07120	0.4
351.08630	9.7
353.10141	0.3
363.08624	15.4
364.08984	0.3
381.09686	100.0
382.10056	3.1
388.86313	0.1
408.08295	0.2
513.14038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1394
Annotation	Phyllanthusmin C
Peak:m/z	Relative Intensity
55.05541	0.6
57.03439	2.9
59.04995	0.6
59.27646	0.3
60.15281	0.3
67.05483	0.6
69.03428	8.1
69.86813	0.5
69.87144	0.8
70.06578	0.9
73.02925	0.6
75.04466	0.5
75.10749	0.4
79.05515	0.4
81.07068	0.6
85.02905	5.1
87.04468	4.7
90.82154	0.3
91.05453	0.5
93.07053	0.9
95.08614	0.6
97.02891	4.3
97.06540	0.5
102.90771	0.3
105.07030	0.7
111.04436	1.1
111.08161	0.4
115.03915	2.9
119.08572	0.5
130.78674	0.4
133.04971	1.5
163.03955	0.4
165.09029	0.4
178.07800	0.5
189.07040	0.5
197.35420	0.4
204.05768	0.5
205.06541	1.3
206.07263	1.7
207.08060	0.4
219.08061	0.6
225.09048	0.5
233.06018	1.9
234.06726	4.3
235.07495	1.4
236.08247	0.7
246.06775	0.7
247.07571	1.5
248.08401	1.4
249.05510	0.7
249.09105	2.3
250.06285	0.4
250.09299	0.4
251.06935	0.6
251.10667	0.8
261.05392	0.5
262.06219	3.8
263.07040	2.7
264.07721	1.2
265.08578	1.0
266.09335	0.4
267.10062	0.9
274.06235	0.9
275.06897	0.5
276.04010	0.5
276.07803	1.7
277.05505	0.8
277.08572	12.1
278.09262	1.4
279.06989	0.4
279.10132	2.5
289.04971	0.5
290.05774	1.0
291.06476	4.0
292.07309	1.2
293.07785	0.5
294.08835	1.1
295.09705	1.1
303.06412	0.6
304.07492	0.6
305.08047	15.2
306.08670	1.0
307.09677	2.4
309.11246	2.2
319.05939	3.8
320.06577	0.5
323.09073	2.6
325.10260	0.4
333.07541	16.4
334.07880	0.8
335.09116	4.0
337.10712	5.8
349.06918	0.5
351.08585	11.0
363.08597	14.7
375.08829	0.4
381.09656	100.0
382.09973	3.3
513.19305	0.5
513.26447	3.8
513.32532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01868	0.4
57.03428	0.8
61.02921	0.7
67.05505	0.7
68.04982	0.3
68.08986	0.3
69.03424	3.1
69.68949	0.7
79.05489	0.6
81.03413	1.0
81.07048	0.6
85.02403	0.5
85.02900	8.7
86.56715	0.3
87.04456	0.4
91.03925	0.3
91.05489	0.6
93.07027	0.3
95.08604	0.7
97.02893	2.4
97.06519	0.4
97.10135	0.3
99.04455	0.3
103.03992	0.3
105.07019	0.4
107.08569	0.5
109.02869	0.7
110.08437	0.3
111.09220	0.3
121.06443	0.3
121.10106	0.4
123.08017	0.4
124.40858	0.3
127.03890	1.8
131.08623	0.3
133.18578	0.3
133.43544	0.3
145.04967	1.1
151.07541	5.5
152.07898	1.1
153.01901	0.3
161.09764	0.4
177.09099	0.5
184.10789	0.5
187.45288	0.3
189.06993	1.7
191.08871	0.3
191.10606	1.8
194.07086	0.3
203.08495	0.4
205.06503	1.5
205.12178	0.5
206.07307	1.6
217.06450	3.9
218.07289	0.9
219.08014	1.4
221.05959	0.5
222.06766	1.0
233.06041	1.3
234.06738	6.6
235.07512	0.6
236.08124	0.4
237.09186	1.4
245.05992	6.3
246.06726	1.9
247.07491	2.0
248.08293	0.8
249.09079	7.2
250.06284	1.3
250.09563	0.3
251.06822	0.4
259.07449	0.3
261.05496	0.5
261.08948	0.5
262.06241	9.2
263.06934	0.9
264.07730	1.3
265.08658	1.8
274.06351	0.3
275.06937	3.1
276.07803	0.4
276.72116	0.3
277.08582	19.8
278.05756	1.8
278.08762	0.6
279.06744	0.4
279.10181	1.1
289.08569	1.5
290.05737	2.0
291.06448	0.9
292.07156	0.5
293.08032	3.8
294.08475	0.3
303.06488	4.0
305.08060	4.0
306.05194	1.1
306.08600	0.6
307.09601	13.3
308.09949	0.4
321.07535	14.5
322.07849	0.4
333.07538	3.1
339.08368	0.3
351.08594	100.0
352.08929	3.4
375.08517	0.5
393.09506	1.0
427.14130	0.8
459.31174	0.4
477.15457	0.9
483.30441	0.5
495.16882	0.3
500.98032	0.3
512.32727	0.4
513.33673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05541	0.6
57.03439	2.9
59.04995	0.6
59.27646	0.3
60.15281	0.3
67.05483	0.6
69.03428	8.1
69.86813	0.5
69.87144	0.8
70.06578	0.9
73.02925	0.6
75.04466	0.5
75.10749	0.4
79.05515	0.4
81.07068	0.6
85.02905	5.1
87.04468	4.7
90.82154	0.3
91.05453	0.5
93.07053	0.9
95.08614	0.6
97.02891	4.3
97.06540	0.5
102.90771	0.3
105.07030	0.7
111.04436	1.1
111.08161	0.4
115.03915	2.9
119.08572	0.5
130.78674	0.4
133.04971	1.5
163.03955	0.4
165.09029	0.4
178.07800	0.5
189.07040	0.5
197.35420	0.4
204.05768	0.5
205.06541	1.3
206.07263	1.7
207.08060	0.4
219.08061	0.6
225.09048	0.5
233.06018	1.9
234.06726	4.3
235.07495	1.4
236.08247	0.7
246.06775	0.7
247.07571	1.5
248.08401	1.4
249.05510	0.7
249.09105	2.3
250.06285	0.4
250.09299	0.4
251.06935	0.6
251.10667	0.8
261.05392	0.5
262.06219	3.8
263.07040	2.7
264.07721	1.2
265.08578	1.0
266.09335	0.4
267.10062	0.9
274.06235	0.9
275.06897	0.5
276.04010	0.5
276.07803	1.7
277.05505	0.8
277.08572	12.1
278.09262	1.4
279.06989	0.4
279.10132	2.5
289.04971	0.5
290.05774	1.0
291.06476	4.0
292.07309	1.2
293.07785	0.5
294.08835	1.1
295.09705	1.1
303.06412	0.6
304.07492	0.6
305.08047	15.2
306.08670	1.0
307.09677	2.4
309.11246	2.2
319.05939	3.8
320.06577	0.5
323.09073	2.6
325.10260	0.4
333.07541	16.4
334.07880	0.8
335.09116	4.0
337.10712	5.8
349.06918	0.5
351.08585	11.0
363.08597	14.7
375.08829	0.4
381.09656	100.0
382.09973	3.3
513.19305	0.5
513.26447	3.8
513.32532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.1
63.05087	1.1
67.05508	1.4
69.03431	9.5
69.44250	4.0
71.97578	1.3
74.97486	1.1
79.05495	1.9
81.07069	2.4
85.02915	3.7
87.04469	3.6
88.51328	1.1
93.07050	1.5
95.08588	1.5
97.02883	2.9
103.05466	3.2
109.10190	1.3
115.03916	2.8
115.05471	2.4
119.08597	1.2
129.07039	2.5
131.04955	7.5
135.04398	3.8
143.05008	2.0
155.04691	1.6
157.06520	2.3
161.05994	6.9
162.06757	1.3
171.07878	1.3
172.08830	1.5
173.05946	6.8
175.03812	1.7
177.01624	8.1
183.06650	1.8
187.07596	2.9
192.03937	61.6
193.04808	2.9
200.76878	1.2
201.09155	3.6
202.09842	2.8
205.08632	2.3
206.07391	1.6
233.06050	2.4
234.06726	4.4
243.06386	1.3
249.09200	2.7
251.07048	1.5
251.10678	1.5
262.06177	1.2
265.08820	1.4
269.13705	2.9
277.08606	9.8
279.10199	3.3
291.06598	2.8
294.08847	1.9
305.08112	11.9
307.09671	3.0
309.11212	2.9
319.06061	4.3
323.09311	2.7
329.10025	2.2
333.07626	12.9
335.09064	2.7
337.10800	5.0
343.11526	34.8
344.12183	1.7
347.10986	4.6
351.08633	8.7
362.11469	2.5
363.08594	9.4
381.09689	87.0
382.10135	2.3
388.39227	1.4
422.13321	7.6
423.14294	7.7
452.14597	1.9
453.15433	4.4
467.13379	2.1
481.14804	5.1
482.15527	58.2
483.16296	43.7
512.30896	1.4
513.17346	100.0
513.26367	8.2
514.17822	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1885
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
69.19088	31.6
80.21490	6.1
108.43974	6.6
115.22648	5.2
124.76241	8.0
144.56647	6.2
156.96126	5.2
169.44041	5.9
176.52498	5.7
202.80475	7.5
400.03516	6.0
513.18866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29002	1.8
53.03941	2.7
55.01837	1.7
55.05514	1.8
57.07073	47.0
68.99776	2.2
69.03419	3.5
69.07030	1.5
69.87444	5.8
76.00814	1.8
79.05493	2.6
81.03415	6.0
81.07051	5.0
82.65614	1.6
85.02904	7.5
85.06548	3.5
91.05468	3.5
93.07000	3.2
95.04974	2.6
97.02876	3.2
97.06579	1.7
102.92353	1.7
103.05453	1.9
105.07056	3.6
107.08653	2.2
109.02865	7.1
111.04472	1.8
115.05505	2.0
120.08095	2.4
121.06508	2.1
123.04385	1.7
127.03928	5.8
127.07550	7.5
133.06474	3.0
135.04424	2.7
137.05965	4.8
145.06502	2.2
147.04477	1.7
149.06033	2.0
151.07573	3.9
153.05492	6.5
160.05247	2.8
161.05951	6.0
163.03874	3.1
164.10437	2.2
165.05515	7.3
167.03404	14.2
169.05008	3.6
169.08815	1.8
171.08096	2.1
175.03952	3.4
175.07504	3.3
177.05519	6.4
179.03406	11.2
179.07054	4.8
187.05972	1.8
189.05434	6.7
191.03380	24.0
191.07065	2.2
193.04962	3.4
197.04468	3.4
201.05530	5.5
203.07027	16.3
205.04950	6.6
207.06503	14.1
209.04457	5.8
216.04094	2.7
217.08640	3.4
219.06525	22.2
221.08116	2.5
227.07056	4.2
229.04977	6.8
231.06519	28.7
231.10133	2.3
233.04381	17.2
245.08052	28.5
247.05956	4.5
249.07573	77.1
249.11292	5.7
255.06494	3.7
257.04532	6.3
259.09744	2.9
261.11172	18.9
262.12277	2.0
267.12357	5.3
273.07538	37.5
275.05493	77.3
276.05826	2.5
284.57172	1.8
287.12717	2.3
291.08627	17.6
291.12262	9.6
293.06561	2.9
301.14294	3.8
315.12256	6.0
317.06497	20.8
329.13840	3.0
333.09976	1.9
333.13461	11.6
335.07687	2.3
339.12051	3.7
357.13300	100.0
358.13528	3.7
375.14346	29.8
381.09616	4.6
399.14310	17.6
417.15430	45.8
435.16318	7.2
495.16553	4.2
513.17749	2.6
513.26068	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2096
Annotation	alpha-Alectoronic acid
Peak:m/z	Relative Intensity
50.64576	0.3
69.49827	1.1
78.28555	0.3
88.96830	0.3
95.05053	0.4
98.22803	0.4
110.95793	0.4
137.05959	4.8
151.07573	0.7
181.08597	3.1
189.09222	0.4
329.44861	0.4
339.97540	0.4
341.17725	0.3
346.21082	0.4
371.14783	0.5
389.16412	0.4
411.17746	1.5
453.19040	5.4
498.18317	0.6
513.20959	100.0
514.21320	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
81.01485	0.3
83.08593	0.3
95.08614	0.3
98.23071	2.2
128.80281	0.4
131.72466	0.3
184.16972	0.4
185.04190	0.4
256.26279	0.4
283.26208	0.5
431.14713	0.5
444.23795	0.4
512.49957	1.0
513.30157	100.0
514.30933	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.304
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
53.21651	0.3
57.07067	0.7
67.05527	0.4
70.06593	0.5
71.08617	0.3
80.61935	0.3
81.07040	0.3
88.07658	0.4
95.08598	0.5
97.57756	0.3
108.92140	0.3
113.09666	0.5
143.01720	0.3
170.15440	2.0
171.15669	0.4
176.53239	0.4
185.04219	0.7
256.26398	1.3
257.42871	0.3
283.26355	1.0
346.90396	0.3
351.25067	0.3
431.15094	0.5
512.49860	2.1
513.30371	100.0
514.30951	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3579
Annotation	Alisol O
Peak:m/z	Relative Intensity
53.03955	1.3
55.01876	2.1
55.05515	5.6
57.07074	2.0
58.02844	0.7
59.05002	1.5
64.44001	0.9
65.03961	1.1
67.05506	11.1
69.03423	8.6
69.07066	7.8
69.69492	3.1
71.04990	29.2
73.06564	2.3
78.08556	0.8
79.05499	8.6
81.07059	17.1
81.07495	1.3
83.05006	3.5
83.08614	5.7
85.06538	4.5
91.05493	9.3
93.07049	19.4
93.07593	1.3
95.04964	5.4
95.08605	19.5
97.06531	5.8
97.10186	3.7
98.22771	1.8
98.23370	1.9
99.08092	14.8
105.04559	1.5
105.07030	16.1
107.08592	26.7
108.08949	1.1
109.06538	4.5
109.10161	34.6
109.82609	0.9
111.08077	22.2
111.08819	1.2
113.09672	2.9
117.07053	3.5
119.08582	16.3
121.06552	2.5
121.10141	7.0
123.08063	4.5
123.11755	3.0
125.08714	1.7
125.09631	33.0
126.75854	0.9
127.07553	5.4
127.11195	45.6
128.06274	1.5
129.07027	2.7
129.09140	1.0
130.07829	2.3
131.08559	13.0
131.09448	1.1
133.10136	15.2
135.08081	2.8
135.11685	6.1
137.09621	8.3
139.11214	2.9
141.07005	1.7
141.09015	0.9
142.07838	3.1
143.08578	9.5
143.10664	13.9
144.09390	1.9
145.10120	27.7
145.11209	1.5
147.08000	1.0
147.11674	8.3
149.09692	3.4
149.13248	2.1
151.11205	4.4
153.06943	1.3
153.09024	0.9
153.12813	2.6
155.08615	6.1
155.10664	100.0
156.09386	3.5
156.11104	1.1
157.10132	18.8
158.10950	0.9
159.11694	17.6
159.12943	1.3
161.09636	2.3
161.13324	3.2
163.11203	4.4
165.12830	1.6
166.07848	1.2
167.08653	3.7
167.14352	1.4
168.09367	1.7
169.10118	8.9
169.12308	2.5
170.10950	2.1
171.11671	10.8
173.09683	1.3
173.13246	9.4
175.11284	2.4
175.14873	2.0
177.12767	2.3
179.08568	1.5
181.10132	4.7
181.12196	4.8
182.11011	3.2
183.11707	10.4
183.13680	5.7
184.12488	0.9
185.10091	0.9
185.11778	4.5
185.13342	10.1
187.11304	2.4
187.14932	3.9
189.12802	2.2
191.14319	2.4
193.10248	2.3
193.15881	1.4
195.11697	5.5
196.12526	3.4
197.13271	16.7
199.14822	8.5
201.12805	2.5
201.16454	2.3
203.14351	2.6
207.11778	2.0
207.13850	1.7
208.12563	1.4
209.13330	6.8
209.15440	6.7
211.14830	15.0
211.16824	1.9
213.12872	1.9
213.16440	2.5
215.14368	3.4
219.11739	1.1
221.13332	3.1
222.14531	0.9
223.14801	5.6
225.12907	0.9
225.16360	6.2
225.18282	0.9
227.14380	1.7
227.18106	2.9
229.15924	1.9
233.13406	1.0
235.14790	2.0
236.15712	1.0
237.16449	2.6
239.14462	1.0
239.18013	2.0
241.16039	1.5
243.17493	2.3
245.19054	4.3
248.15565	1.0
251.18016	1.4
253.19592	2.7
256.26508	1.2
257.18948	1.1
263.17987	1.9
265.19540	6.2
267.21158	2.0
269.19043	1.0
271.20648	2.6
279.21225	3.9
281.19156	1.6
283.20526	11.9
283.23306	1.2
285.21860	4.2
295.20633	2.0
297.22110	9.2
299.20444	1.4
301.21802	4.5
305.21140	1.7
313.21692	2.1
315.23325	0.9
325.21829	1.0
325.25656	1.8
327.23221	1.6
331.23038	3.7
337.25458	1.5
339.23230	1.4
343.22653	10.2
343.25806	0.9
345.24576	3.0
349.25436	3.2
357.24210	13.6
367.26498	4.6
371.25906	1.5
381.28180	1.8
385.27383	2.0
417.31207	4.1
435.32620	18.1
453.33682	28.7
454.34024	1.3
471.34726	1.9
495.34750	12.3
513.35931	32.8
514.36615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03166	0.8
55.05496	1.1
56.05023	1.1
58.06580	2.9
62.17877	0.6
63.59461	0.6
67.05500	0.8
68.05013	1.1
69.03413	1.5
69.48358	0.6
70.06248	1.2
70.06599	15.6
72.08161	22.5
79.05477	0.8
81.07040	0.9
82.06588	20.4
83.01319	0.7
84.07673	1.3
84.08148	15.7
85.02893	1.0
85.07671	1.0
86.06054	1.4
86.09721	3.3
88.75565	0.6
95.05002	1.1
96.04491	1.3
97.02885	1.1
98.06080	1.2
98.09666	1.1
101.07107	1.3
104.18667	0.6
105.07012	1.0
106.06557	0.8
107.08603	0.7
109.10175	1.0
110.07180	3.6
110.09682	8.8
111.00731	0.8
111.09135	0.8
112.11252	7.9
113.07100	2.3
115.05398	0.7
116.07072	0.8
119.04926	1.1
121.02909	1.6
121.06458	0.6
123.09104	0.8
127.03905	1.0
127.07616	0.6
127.08728	0.7
129.10207	1.0
129.13889	3.5
131.04965	0.7
137.05980	4.6
138.09210	1.1
139.05418	1.8
139.08626	0.7
139.12306	0.7
140.07056	1.0
141.10249	1.3
146.16513	1.3
149.05960	0.8
151.03903	1.1
153.10223	1.5
155.11737	3.7
156.07681	3.0
158.16553	1.0
161.05986	3.3
167.05960	0.9
167.08134	1.0
167.11861	0.8
168.06560	2.4
175.07530	2.2
184.05174	1.9
185.02367	1.7
186.05490	1.0
189.05446	1.7
190.56845	0.8
195.04391	5.4
197.12920	0.8
199.07506	2.8
201.05521	3.8
202.08679	1.2
209.12808	0.9
212.04680	7.4
212.17506	1.1
213.05403	2.0
216.07985	0.8
217.04962	2.4
218.08017	2.1
220.09792	0.9
221.81236	0.6
226.06354	1.0
227.07048	2.6
229.04985	14.2
230.08040	3.4
238.13135	2.8
238.15492	7.9
239.13863	2.7
244.07333	2.9
244.13380	0.9
246.07643	1.4
255.15973	1.4
256.16617	2.1
258.11310	5.8
259.09665	100.0
260.09891	1.9
260.12610	0.7
265.08676	1.8
272.12750	1.5
274.10815	3.8
281.13776	1.0
286.10742	2.0
288.12244	2.4
296.48160	0.7
297.11490	0.9
299.15030	1.3
303.13379	1.0
305.16928	0.7
323.09067	1.3
329.69589	0.8
343.16415	2.7
354.18158	2.7
372.19186	43.1
373.19525	0.9
425.17111	1.1
425.77426	0.8
470.26477	1.7
478.22971	1.2
496.24432	49.2
497.24332	2.7
514.25470	37.3
515.25568	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.0
55.05510	4.4
57.03455	3.0
60.39911	1.1
67.05508	7.4
67.87049	1.7
69.07063	2.0
70.06601	7.9
70.68793	1.6
72.08152	3.8
79.05505	8.1
81.03423	92.4
81.07063	7.7
83.04990	2.7
83.08628	24.4
85.02922	1.7
86.09697	1.7
91.05502	12.6
93.07049	6.1
95.04974	29.0
95.08606	2.8
97.02885	2.2
97.10157	1.9
105.07028	8.8
107.04962	6.3
107.08575	4.0
109.06535	2.5
110.07150	1.9
111.04410	1.6
111.08083	9.4
112.11275	3.1
112.18357	1.2
119.08595	8.7
121.06539	2.3
121.10149	4.5
123.04433	2.0
129.07030	7.0
131.08592	7.4
133.06541	2.9
133.10147	4.6
142.07733	1.4
144.59001	1.3
147.08070	3.5
147.11707	7.7
149.09633	5.3
151.07629	1.3
157.10147	10.4
175.11195	15.8
175.12471	1.7
179.16870	1.2
186.15512	1.2
193.12256	69.5
211.13353	5.3
230.47382	1.6
235.13257	1.9
238.15686	1.7
259.09717	7.0
267.15930	40.4
285.16989	100.0
299.18335	1.9
301.14560	2.6
301.19284	1.5
309.16916	10.0
327.17911	1.3
351.17758	1.7
363.18002	2.4
372.19193	1.5
496.24033	4.2
514.25494	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88636	1.9
55.05500	10.7
58.74898	1.9
67.05509	9.1
69.03432	4.2
69.07085	4.4
70.06586	3.8
72.08147	9.2
79.05499	6.0
81.07063	8.3
83.04990	3.0
83.08595	3.5
84.08152	3.6
85.02901	8.5
86.09687	2.4
91.05488	7.0
93.07037	8.0
95.08603	10.7
97.02896	3.3
97.06525	2.7
97.10172	15.5
99.04440	3.7
105.07034	25.1
107.08593	5.3
109.10143	28.7
111.04449	7.4
111.08082	3.2
112.11241	3.5
117.07025	3.9
119.08576	52.1
121.10141	2.6
125.06051	3.9
128.06238	4.5
129.07031	4.4
131.08585	9.3
133.10132	26.3
137.06010	3.0
141.07016	5.1
142.07829	5.0
143.08543	26.8
145.10152	13.7
147.11684	7.8
153.09042	2.3
154.07756	3.5
155.08601	3.7
156.09343	25.6
157.10114	13.4
159.11678	15.5
167.08548	2.5
169.10118	29.3
170.11012	3.0
171.11679	31.9
173.13351	4.3
183.11725	3.9
185.13225	3.3
187.11148	6.4
191.10670	5.0
193.12109	2.5
196.10887	2.1
197.09627	9.1
201.16393	3.2
203.10713	11.2
205.12187	18.2
209.12955	2.5
215.10666	95.4
217.12201	5.0
229.04945	2.5
229.12230	27.8
243.13884	18.1
248.23750	5.0
257.15332	5.0
259.09662	13.4
270.89682	2.2
299.20047	100.0
317.20996	15.6
372.19159	3.4
387.36795	2.4
425.16769	2.6
496.24652	12.0
514.25592	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2255
Annotation	Trp Phe Tyr
Peak:m/z	Relative Intensity
54.01576	0.3
61.48175	0.3
70.39416	0.3
91.83193	0.4
95.08612	0.4
109.89609	0.4
148.05223	1.0
151.07558	2.1
153.05278	0.4
166.06358	0.4
181.08580	5.6
189.05156	2.6
210.42075	0.3
210.43996	0.5
219.04974	0.4
223.04597	0.4
237.06102	1.1
238.06793	0.4
360.18613	0.4
375.69141	0.4
399.45593	0.4
400.19122	0.4
425.15173	0.6
440.17392	0.6
455.20230	8.1
500.20099	1.2
515.22516	100.0
516.22894	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2829
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
51.27678	0.3
63.74823	0.3
67.05505	0.4
69.96729	0.7
70.06581	0.5
71.35208	0.3
75.57599	0.3
81.07047	0.7
88.78387	0.3
97.02894	0.3
105.06997	0.4
119.08550	0.5
177.10283	0.5
201.03743	0.8
203.05321	1.0
223.10849	0.5
291.19391	0.3
335.21576	0.9
336.19318	0.4
337.23456	1.9
353.22620	0.5
354.20157	0.4
373.23547	0.3
383.10382	1.2
456.26898	0.4
515.28296	100.0
516.28760	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.46917	0.2
67.05500	0.3
68.05026	0.2
71.22714	0.3
72.42899	0.2
79.05508	0.2
81.07005	0.3
97.06519	0.2
98.06852	0.2
107.08588	0.3
122.06059	1.1
124.07607	0.3
136.07585	0.3
147.18527	0.2
166.64896	0.3
176.14413	0.3
185.04179	0.5
204.13869	0.4
222.14842	0.6
223.15253	0.5
243.32861	0.2
270.47845	0.2
293.48453	0.3
428.11667	0.3
428.17407	0.3
497.34735	1.6
515.31958	100.0
516.32257	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79128	0.4
67.05505	1.0
69.07090	0.4
70.13676	0.4
81.07045	0.9
85.91254	0.4
88.72260	0.4
91.05487	0.5
93.07040	0.5
95.08581	0.7
119.08616	0.5
168.68364	0.4
203.05232	1.1
258.20456	0.5
259.08044	0.7
275.13028	0.4
287.59940	0.4
312.26105	0.5
313.27325	0.4
515.31927	100.0
516.32166	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	3.1
55.05506	18.7
57.03432	9.0
57.07069	4.0
59.36443	1.1
61.02915	4.2
65.03929	2.1
67.05502	91.8
69.03415	2.8
69.07067	16.3
71.04998	2.9
73.02892	1.8
76.72820	1.1
77.03936	1.9
79.05490	51.4
81.03413	2.0
81.07053	100.0
83.08623	10.2
85.02911	5.0
85.06524	3.6
91.03970	1.8
91.05476	28.8
91.06039	1.7
93.07042	68.4
95.04991	7.1
95.08603	73.0
97.02901	3.6
97.06516	4.4
97.10179	4.6
98.22703	3.2
99.04413	1.5
99.08079	2.1
105.07027	19.9
107.04993	1.5
107.08588	42.3
109.06499	4.0
109.10153	34.1
111.08096	3.3
111.11678	1.9
112.99994	1.7
113.09623	1.2
117.06998	12.0
119.08572	19.4
121.09261	2.6
121.10136	39.7
123.08060	3.0
123.11704	18.9
125.09644	2.0
129.07021	2.0
131.08553	23.1
133.10127	16.7
135.07994	1.5
135.11687	31.0
137.09666	2.8
137.13258	6.7
137.24243	1.2
139.11209	1.7
143.08638	2.0
145.10118	18.3
147.11674	14.4
149.09593	1.7
149.13252	19.9
151.11169	2.4
151.14836	2.2
153.12762	2.7
159.11681	16.9
161.13242	14.5
163.11234	1.7
163.14813	13.7
165.12784	2.9
167.14442	1.4
170.18980	1.2
173.13264	15.2
175.14822	3.7
177.16402	5.0
179.14310	3.2
187.14844	8.3
201.16403	3.0
205.15865	1.9
215.17842	2.2
233.22672	3.8
243.21056	27.1
261.22131	95.0
262.22348	1.7
279.23178	6.4
335.25806	28.3
345.24033	1.7
353.26880	17.4
369.24277	1.6
387.25317	1.5
419.28201	1.9
450.24030	1.2
461.28702	1.7
497.30838	4.2
505.05380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
54.31761	1.1
55.01865	1.5
55.05509	19.0
57.03181	0.9
57.03436	6.3
57.07076	6.9
61.02918	2.8
63.90976	1.1
65.03944	4.4
67.05502	92.9
69.03431	3.3
69.07062	17.8
69.77261	3.5
71.04986	4.3
75.04469	1.4
77.03936	2.2
77.10481	0.9
79.05489	59.7
81.03426	2.6
81.07053	100.0
82.07381	1.9
83.04995	3.3
83.08614	8.4
85.02898	4.0
85.06554	3.3
91.03957	1.2
91.05475	36.7
93.07039	83.2
95.04962	9.2
95.08602	78.0
97.02896	2.2
97.06538	4.7
97.10161	4.1
99.04461	1.4
99.08097	4.1
105.04517	3.0
105.07027	26.8
107.04980	1.3
107.08591	49.0
108.09021	1.2
109.06532	2.7
109.10152	42.8
111.08084	3.4
111.11740	1.6
113.09645	2.1
117.07005	12.9
119.08575	21.4
121.06599	1.2
121.10139	45.2
123.04353	1.1
123.08081	2.6
123.11697	18.1
125.09647	2.3
127.03970	1.1
129.06982	2.3
130.07860	1.0
131.08565	27.5
133.10132	17.7
135.08023	1.0
135.11687	34.0
137.09648	1.6
137.13258	6.4
139.11186	1.7
141.07014	1.2
145.10123	23.6
147.08005	1.1
147.11656	14.0
149.13245	22.0
149.14427	1.1
151.11182	2.4
151.14903	2.2
153.12735	1.7
157.10135	2.5
159.11688	17.8
161.13258	12.5
163.11250	1.2
163.14801	16.0
165.12778	2.9
171.11729	1.3
173.13251	19.7
175.14838	5.1
177.12877	2.0
177.16389	5.3
179.14281	2.6
187.14793	11.9
189.16335	1.1
191.14287	1.9
195.13773	1.3
201.16447	4.9
205.15868	2.4
233.22614	3.8
243.21089	28.2
244.21443	1.3
261.22119	85.1
262.22501	3.6
263.23636	1.2
273.22253	1.1
279.23419	2.3
301.21518	1.7
335.25806	13.3
345.24277	2.3
353.26837	18.9
369.24210	1.5
396.69888	1.2
405.26355	1.2
497.31003	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01852	3.8
55.05508	20.4
57.03435	8.7
57.07068	4.6
60.94532	2.4
61.02925	6.2
62.97718	2.4
65.03937	2.6
67.05508	87.1
67.05862	4.5
69.03432	10.9
69.07073	22.2
69.77333	7.3
71.04985	3.4
77.47095	2.7
78.07698	2.5
79.05505	61.4
81.03420	5.4
81.07060	100.0
83.08617	11.3
84.16515	2.4
85.02920	4.5
85.06534	3.2
91.05482	37.1
93.07048	74.4
94.41812	2.8
95.04964	11.3
95.08016	4.9
95.08611	75.8
96.08851	2.3
96.72215	2.3
97.02880	3.2
97.06548	7.0
97.10179	3.4
97.64632	2.5
99.08097	5.1
105.07038	35.9
107.04910	3.1
107.08598	44.1
109.06499	4.7
109.10168	36.2
111.04437	3.4
113.00011	15.2
117.07034	18.7
119.08576	26.9
121.10153	45.8
123.08064	5.9
123.11702	16.5
129.07016	5.0
131.08585	24.7
133.10139	21.7
135.08081	8.7
135.11697	30.1
137.13248	5.9
140.85565	2.5
145.10118	23.5
147.11707	13.9
149.13264	25.8
157.10133	4.4
159.11682	22.4
161.09656	2.8
161.13306	11.9
163.11212	3.2
163.14819	16.1
165.12775	4.2
171.11690	5.0
173.13240	22.8
175.11246	3.7
175.14792	3.9
177.16409	6.6
179.14343	5.0
185.09602	2.8
187.14867	12.2
191.14299	3.2
201.16350	3.7
205.15900	3.8
233.22658	3.2
243.21094	30.4
261.22153	80.9
279.23178	3.0
301.21594	3.2
303.23035	3.6
329.24704	4.6
335.25818	11.6
345.24301	5.4
347.25977	2.9
353.26895	13.0
369.24332	5.0
373.03134	2.6
403.28278	4.2
405.26352	3.9
419.28198	3.9
461.29227	3.8
479.29773	3.5
497.31186	5.3
515.27393	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64195	3.4
55.05519	16.9
56.94278	3.1
57.03429	4.1
65.03917	4.0
67.05507	64.7
67.77042	3.3
69.03412	4.4
69.07062	14.9
79.05504	37.4
81.07055	73.2
83.04922	3.1
83.08607	7.5
85.02922	3.9
86.02681	3.2
91.05489	25.5
93.07055	43.2
95.08605	56.6
97.06532	8.0
97.10182	7.2
99.70362	3.7
104.99254	4.1
105.07035	24.3
107.08585	28.8
109.06493	4.9
109.10165	28.7
111.08053	4.1
113.00030	36.5
117.07025	12.3
119.08580	14.8
121.10140	23.6
123.11720	12.3
131.08568	22.4
133.10106	11.6
135.08054	7.3
135.11711	20.9
137.13277	8.2
145.10114	17.6
147.08020	3.7
147.11670	10.5
149.09688	3.5
149.13254	14.4
149.29738	4.0
159.11694	13.1
161.13248	10.5
163.14850	8.4
173.13255	14.8
175.14845	4.0
177.16362	5.5
179.14359	4.8
187.03630	4.6
187.14801	6.7
210.12704	4.7
219.64873	3.4
243.21083	19.1
261.22171	44.3
329.24759	10.3
335.25790	15.5
345.24121	5.2
353.26837	10.1
355.08005	5.0
403.28122	6.1
497.34341	11.7
515.26367	100.0
515.36676	19.3
516.26990	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52493	0.8
53.03928	1.3
55.01869	2.6
55.05516	4.9
57.03428	2.1
58.13215	0.9
60.49025	1.0
61.02920	2.2
64.11726	0.9
65.03941	2.6
67.05508	7.0
68.32475	0.9
69.03431	9.2
69.07063	1.3
69.86282	1.8
69.86633	2.2
70.06583	1.8
71.01340	4.1
72.08137	1.4
73.02885	1.1
75.11342	0.9
79.05491	19.7
81.03413	10.5
81.07056	18.7
83.04973	2.3
83.08622	1.9
84.08142	1.3
85.02911	11.1
86.09691	2.2
91.05483	29.6
93.07039	5.3
95.04974	12.3
95.08580	1.3
97.02884	9.0
97.06529	1.9
100.11254	12.4
101.06081	0.9
103.05447	2.5
105.04496	1.0
105.06985	1.2
107.04952	6.5
107.08569	2.3
109.02871	1.6
109.06516	12.0
109.10137	1.2
111.04454	5.9
112.52779	0.9
114.45959	1.0
119.04942	20.6
119.08568	1.2
121.02876	14.5
121.06473	1.4
121.10165	2.4
123.04430	9.2
127.03894	2.3
135.04395	3.6
135.11691	2.9
137.02345	100.0
137.03426	7.1
137.05963	14.7
139.03922	1.5
139.11201	1.3
145.04971	1.6
145.10094	1.9
147.04390	6.4
153.05457	1.6
155.03427	1.6
155.07018	1.4
162.69067	0.9
163.03935	3.0
163.11163	1.1
165.05469	31.4
177.05467	1.2
181.12166	1.3
182.15367	1.4
183.06522	61.8
191.10712	3.0
209.11739	5.2
209.16484	2.5
210.14886	2.3
217.04907	2.3
218.05318	2.0
223.13354	1.3
227.12769	3.0
265.14069	1.1
283.15399	15.3
292.05887	1.1
293.06909	1.3
301.06940	3.2
301.16452	6.1
319.08160	4.7
336.14453	1.1
337.09326	1.3
342.09875	1.1
354.15475	5.2
459.34274	0.9
515.37903	12.7
516.20953	2.8
516.38324	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55154	0.9
53.03962	0.9
53.17456	0.7
55.05506	1.5
57.03430	1.0
57.20433	0.8
67.05502	1.8
68.05029	5.0
69.03432	2.1
69.07063	2.8
72.08141	0.9
79.05482	3.6
80.68152	0.9
81.03402	2.1
81.07047	5.7
85.02892	4.8
87.00846	1.1
91.05450	3.0
93.07034	3.9
95.04955	0.8
95.06087	8.9
95.08601	2.9
96.06879	1.5
97.02882	1.1
97.06528	1.9
97.07660	2.0
99.04483	1.2
105.07036	3.4
107.08613	3.2
109.02834	1.9
109.07636	47.0
109.10153	1.3
110.08420	100.0
119.08572	3.1
120.08112	1.9
121.06474	1.1
121.08447	1.5
121.10103	1.3
121.73027	0.9
127.03926	3.0
131.08578	1.8
133.10130	1.4
135.21179	1.0
137.06003	2.0
137.07108	3.5
142.07663	0.9
143.08632	1.0
145.10127	3.5
147.11743	1.2
151.11229	0.9
157.10172	1.7
159.08093	1.3
159.11696	2.0
171.11856	0.9
173.13240	1.4
173.31468	1.0
187.14861	1.5
197.13228	1.4
209.26060	1.0
215.14249	1.3
225.16339	1.1
225.36450	0.9
233.11876	2.3
233.15369	3.6
250.25346	3.3
268.26404	2.0
275.12903	1.1
283.20435	1.3
319.15326	2.3
319.22919	1.3
362.23248	1.5
431.25809	0.8
442.13599	1.2
456.20032	1.3
458.13425	1.1
472.32971	1.2
484.15121	3.0
486.13217	1.5
488.18372	1.4
500.14584	3.6
501.15213	3.6
516.17627	86.9
516.23798	3.1
517.17535	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92438	1.3
53.03953	1.8
55.01872	5.2
55.05510	15.7
57.03441	8.6
57.07077	1.7
61.02910	3.5
65.03949	1.7
67.05502	29.9
69.03416	5.8
69.07060	7.7
69.85070	2.4
69.85400	2.0
70.06591	8.4
71.04979	4.4
72.08165	4.6
73.02930	2.1
79.05487	21.0
80.55688	1.5
81.03415	7.8
81.07057	27.7
83.04972	13.2
83.08610	8.0
84.08144	4.0
85.02893	12.6
85.06534	4.4
86.09708	7.1
91.05477	14.6
93.07048	21.0
94.28492	1.4
95.04957	6.5
95.08588	12.7
97.02891	22.8
97.06532	7.3
97.10184	2.5
98.23426	1.4
99.04460	3.1
100.07581	1.8
100.11238	2.6
103.03957	3.3
105.07035	11.1
107.04951	9.2
107.08595	17.4
109.06472	1.7
109.10150	14.7
110.07165	1.9
111.04426	27.8
111.08095	2.0
115.03949	1.6
117.07021	5.5
119.08557	8.1
120.12565	1.5
121.06498	2.4
121.10144	19.4
123.04424	1.9
123.08060	3.4
123.11709	3.6
125.06002	3.3
125.09624	3.3
127.03903	4.3
129.06993	1.5
130.07716	1.5
131.04938	1.8
131.08577	8.7
133.10097	4.6
135.08083	3.2
135.11682	11.7
137.05936	1.5
137.09578	2.5
139.11198	4.3
143.08478	1.8
145.02902	2.0
145.06526	2.5
145.10115	14.5
147.08121	1.8
149.09610	6.5
151.11169	1.8
153.12756	1.7
155.08499	3.8
163.11145	13.3
167.10664	3.2
173.09657	7.7
173.11713	4.4
177.05417	2.9
178.06223	2.0
181.12231	4.7
191.10661	13.6
209.11714	98.8
210.12045	2.6
227.12773	21.2
229.14436	3.7
241.14302	6.7
255.15974	2.7
265.14374	4.2
283.15396	100.0
284.15952	2.2
301.16440	67.1
354.15314	14.6
463.22113	2.1
466.99716	1.5
516.20563	4.7
516.38550	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
55.05507	2.9
57.03426	1.8
61.48267	1.2
67.05488	3.1
69.03416	3.7
69.83643	1.1
70.06606	3.1
70.32095	1.3
71.04973	2.6
71.46019	1.4
72.08151	3.1
74.02423	3.6
79.05485	3.9
81.03439	1.8
81.07047	4.4
83.04963	1.8
84.08176	2.2
85.02901	3.9
86.09695	3.6
91.05491	4.3
93.07043	5.1
95.04990	1.7
95.08603	3.8
97.02908	1.6
99.04433	1.3
104.10723	2.1
105.07030	6.7
107.04988	2.0
107.08603	4.8
109.02834	1.5
109.06535	4.0
109.10146	1.4
117.06991	3.8
119.08594	2.9
121.06503	3.9
121.10117	4.1
127.03910	1.9
130.08635	2.9
131.08542	7.5
133.10120	6.8
135.04449	1.7
135.08043	2.2
137.05965	2.3
137.09634	3.2
142.70503	1.4
143.08539	2.9
145.10107	7.7
146.06020	5.6
149.09593	7.8
151.11191	1.6
155.08562	1.7
157.10060	2.0
160.07637	1.3
163.03944	2.2
163.11188	4.6
173.09637	4.1
177.05440	1.3
191.10683	6.1
191.14357	3.8
197.13307	5.0
206.08188	2.1
209.15346	4.7
248.09062	1.5
271.93616	1.5
283.09705	1.6
283.15475	1.6
320.18527	14.1
323.09189	1.5
355.11691	1.9
373.02423	1.4
376.01102	3.8
391.03293	11.5
396.18326	1.6
409.04370	4.0
516.27832	1.6
517.07446	100.0
517.21851	5.5
517.28766	2.6
518.08044	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2646
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
53.03952	0.6
54.37523	0.5
55.01862	0.7
57.03429	1.2
59.04995	0.7
61.02917	1.5
67.05489	1.2
69.03429	5.5
69.07047	1.1
69.63169	1.6
70.06566	0.6
71.04990	4.5
73.02924	0.6
79.05470	0.9
79.06441	0.4
81.03416	4.5
81.07050	2.5
83.04959	1.5
83.28510	0.5
85.02402	1.0
85.02905	16.1
87.04465	0.7
91.03915	0.6
91.05457	0.9
93.07015	1.0
95.04953	1.5
95.08612	2.6
97.02876	3.9
99.04425	0.6
99.08122	0.8
105.07014	2.4
107.08604	3.5
109.02847	0.9
109.06525	3.6
109.10130	0.9
115.24885	0.5
119.08578	1.4
121.06450	0.5
121.10138	5.7
123.08060	2.8
123.11707	1.2
127.03934	2.7
129.05493	0.7
131.08543	0.6
133.10095	0.8
135.08029	0.6
135.11615	0.4
137.05917	0.6
137.09613	3.3
137.13290	0.6
142.69783	0.5
145.04942	3.3
145.10124	0.8
147.11652	1.1
149.09596	3.6
149.13239	2.3
151.11174	25.0
165.12750	29.1
166.13153	0.8
173.13214	1.0
191.14285	3.4
193.15895	3.1
209.15358	100.0
210.15695	1.8
217.15916	0.8
277.04611	0.5
371.20615	1.9
506.46365	0.6
517.22388	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01866	1.2
55.05515	4.5
57.03424	1.7
57.07061	1.8
60.08135	1.4
60.95766	0.4
65.03928	0.6
66.20071	0.5
67.05166	0.5
67.05503	7.3
69.03421	0.7
69.07064	7.1
71.04983	1.1
71.07166	0.5
71.08636	3.2
77.97082	0.5
79.05489	4.7
81.07053	10.5
83.04978	0.8
83.08629	2.4
85.06530	1.5
86.09711	3.8
91.05482	4.1
92.54729	0.5
93.07036	6.6
95.04948	0.9
95.08595	8.3
97.06525	2.7
97.10130	0.7
98.98458	0.8
99.08076	2.1
104.10741	7.0
105.07016	6.5
107.08578	7.0
109.06509	8.3
109.10150	2.6
109.10823	0.6
111.08057	1.3
113.00006	100.0
117.06990	0.9
119.08572	8.1
121.10116	3.2
123.08052	14.9
123.11694	1.5
125.00002	2.4
125.09629	0.8
131.08539	2.9
133.10109	6.7
135.08044	9.8
135.11674	2.3
137.09598	1.6
137.13240	1.0
140.55814	0.4
143.08586	1.0
145.10101	2.9
147.11647	3.6
149.09625	2.5
149.13257	2.1
151.11137	0.5
154.02675	0.6
154.94073	0.6
157.10126	1.1
159.11647	2.4
161.09622	1.9
161.13286	0.8
163.11238	0.8
165.12738	1.4
167.14272	1.0
169.02655	2.8
172.95215	0.8
173.13231	1.1
175.11186	0.9
175.14809	5.3
177.12718	2.9
177.16379	0.8
179.14294	24.2
180.14671	0.7
184.07330	5.7
186.40321	0.4
187.03653	14.2
187.14861	0.5
189.16411	0.5
191.14308	1.3
193.12292	0.7
193.15964	1.1
197.13463	0.6
203.14342	0.7
203.98140	0.4
205.15869	4.6
217.15799	0.6
231.15816	0.8
233.18953	1.0
247.20720	1.0
263.20178	1.8
275.20065	1.3
289.21646	3.3
289.24969	0.8
293.21088	1.5
303.26801	3.3
313.25208	0.9
319.22644	0.8
331.26273	45.2
332.26746	1.9
349.27469	2.7
369.28021	1.3
375.29141	0.6
387.28836	4.1
405.29959	42.1
406.30292	1.8
423.30972	0.9
431.27280	0.5
474.20422	1.5
485.26236	0.6
499.28091	8.1
517.29303	21.3
518.31812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05504	4.1
57.03437	1.1
57.07067	1.7
67.05501	8.8
69.03410	1.0
69.07056	6.1
69.99807	1.9
71.08629	2.7
79.05490	4.6
81.07054	10.9
83.08600	2.9
85.06518	0.7
91.05474	3.5
93.07048	6.3
95.04943	0.8
95.08605	9.7
97.06501	1.7
98.98447	0.8
99.08083	1.8
104.10745	1.0
105.07027	6.8
107.08587	6.1
109.06512	6.9
109.10174	4.0
111.08052	1.1
113.00008	100.0
117.07011	0.9
119.08587	6.0
121.06502	0.9
121.10126	4.2
122.07326	0.7
123.08057	12.5
123.11678	1.2
125.09635	0.6
129.06998	0.9
129.50531	0.5
131.08568	1.4
133.10114	6.0
135.08028	8.6
135.11664	2.1
137.09584	1.1
137.13242	0.8
143.08562	0.9
145.10100	2.3
147.11678	3.3
147.43465	0.7
149.09659	2.6
149.13289	2.1
157.10161	1.1
158.07379	0.6
159.11696	2.3
161.09637	0.7
161.13239	1.9
163.11171	0.9
163.14835	0.7
165.12753	1.1
167.14360	0.7
169.02608	3.0
171.11670	0.9
173.09644	0.6
173.13313	1.3
175.14766	5.5
177.12773	3.5
179.14297	20.5
187.03664	13.7
191.14294	0.9
201.40103	0.5
205.15822	3.2
221.15388	0.6
233.19083	0.6
245.22668	1.4
263.20129	1.8
263.23764	1.2
271.20572	0.8
275.20148	2.1
289.18442	0.6
289.21643	2.6
293.21191	0.8
303.23221	0.7
303.26917	1.8
313.25366	0.6
331.26285	39.7
332.26804	1.5
336.40189	0.6
337.27509	0.6
349.27585	1.1
369.27594	0.7
387.28976	3.6
405.29984	28.8
406.30362	1.6
423.31244	1.0
485.26376	0.7
499.28113	10.1
517.29309	21.4
518.29895	0.9
529.60815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82947	0.8
53.03943	2.2
55.01860	2.0
55.05509	20.6
56.88095	1.0
57.03439	4.5
57.07074	9.6
60.47333	1.0
61.02925	3.2
65.03928	3.1
67.05502	88.6
69.03423	3.6
69.07066	28.4
70.06695	2.8
71.04999	2.1
71.08633	6.8
75.04477	1.2
79.05042	1.5
79.05495	27.6
81.03400	3.8
81.07053	100.0
83.04964	3.3
83.08614	20.0
85.02890	2.5
85.06513	4.7
85.10162	2.7
86.09708	1.1
89.24216	1.3
91.05473	21.6
93.07044	28.6
95.04986	3.4
95.08601	83.1
97.02859	1.9
97.06523	6.4
97.10156	12.5
99.08098	3.6
105.04578	1.2
105.07029	15.0
106.23994	1.2
107.08584	19.1
109.06525	3.1
109.10155	39.6
111.08067	4.1
111.11716	3.3
113.00002	6.6
113.09656	2.8
117.07036	1.9
119.08575	15.6
121.10139	21.7
123.08064	2.7
123.11701	20.1
125.09639	1.6
126.51718	0.9
126.54116	1.0
127.11183	2.0
131.08562	3.1
133.10120	14.6
135.11659	12.7
137.09688	1.9
137.13268	8.7
141.12743	3.9
143.08609	1.6
145.10194	2.8
147.11667	13.9
149.09636	1.0
149.13246	11.3
151.11179	1.7
151.14806	7.0
155.14317	3.1
159.11739	1.2
161.13268	13.6
163.14807	10.1
165.12758	1.8
165.16377	9.1
170.47189	1.1
171.11748	1.9
173.70451	1.0
175.14822	10.1
177.16411	1.1
179.14325	3.6
179.17937	7.9
181.15948	1.3
187.03719	1.5
189.16333	5.7
203.17973	1.3
217.19614	1.3
245.22621	49.2
246.23016	1.7
263.23697	61.0
266.07788	1.1
275.20087	1.7
285.29623	1.0
303.23065	1.3
331.26294	2.3
337.27347	29.5
338.27545	2.0
371.25546	1.4
405.30164	1.7
463.30383	1.5
481.31866	1.2
489.98807	1.1
499.32901	3.1
517.30389	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02140	1.3
53.03947	3.1
54.96616	1.3
55.01861	5.2
55.05262	2.0
55.05508	20.6
57.03431	1.7
62.60999	1.5
63.27227	1.2
65.03936	3.1
67.05501	37.6
67.05862	2.2
67.62265	1.1
69.07072	12.6
71.04990	2.3
77.03937	1.6
79.05488	33.1
81.03407	7.3
81.06570	2.0
81.07052	38.9
83.04974	8.2
83.08611	20.4
85.06539	2.5
91.05473	34.8
93.07040	39.4
95.04960	25.4
95.08601	21.8
97.06506	7.4
97.10143	4.2
99.08083	2.0
103.65514	1.2
105.04526	1.6
105.07023	33.7
106.07330	1.2
107.04951	11.6
107.08598	18.7
109.06506	11.4
109.10159	7.2
110.53653	1.3
111.08096	6.2
113.00011	17.3
115.05452	2.2
117.07018	10.5
118.36745	1.6
119.08580	27.3
120.58315	1.3
121.06496	6.6
121.10133	12.9
123.08061	5.8
123.11716	2.7
125.05908	1.5
125.09621	5.2
128.06203	1.8
129.06964	10.2
131.08559	12.5
133.06470	1.9
133.10123	21.9
135.08060	4.5
135.11682	5.5
137.09607	4.2
141.06943	3.4
143.08562	5.2
145.06529	1.8
145.10103	25.3
147.08043	2.8
147.11667	20.2
149.09596	17.5
149.13217	1.6
151.11143	3.8
155.08548	3.2
157.10178	3.5
159.11697	6.9
161.09587	3.3
161.13277	7.7
163.11171	21.7
165.09158	1.6
165.12706	5.8
169.10100	3.3
171.11681	16.8
173.09654	4.0
173.13235	4.1
175.11211	2.5
175.14789	2.6
177.12744	1.8
179.14310	6.0
183.11795	2.8
187.03694	1.4
187.11188	3.6
189.11234	2.5
189.12741	9.1
193.12262	2.5
197.13295	2.9
201.12709	1.6
205.12202	1.9
207.13736	18.0
223.13266	13.8
229.19543	3.2
229.31584	1.4
239.17955	7.6
247.20592	3.1
257.18948	13.5
275.20047	100.0
276.20340	2.5
289.21765	2.2
293.21082	47.5
294.21381	1.7
331.26230	6.9
405.29761	5.8
428.32571	1.3
463.31595	1.8
486.34946	1.6
517.28735	2.3
517.36322	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01865	7.2
55.05506	24.5
57.03435	4.4
57.07069	3.2
65.03947	5.5
66.73045	2.3
67.05504	48.4
69.03429	2.3
69.07075	19.3
71.05000	5.9
71.08633	5.0
71.46822	2.5
79.05492	63.0
81.03423	4.4
81.07059	83.8
83.04984	8.4
83.08618	13.7
91.05479	51.8
91.06045	3.2
92.48595	3.2
93.07047	64.3
95.04961	25.2
95.08605	33.9
97.06519	12.1
99.08089	6.3
101.65808	2.6
103.05434	2.3
105.04513	4.0
105.07031	53.7
107.04948	10.7
107.08609	28.7
109.06516	33.3
109.10163	12.0
111.08065	7.0
113.00018	74.3
117.03253	2.6
117.07024	12.2
119.08590	34.8
120.13310	2.5
121.06521	7.7
121.10172	15.5
123.08066	21.8
123.11653	6.3
125.09650	2.7
128.06213	2.9
129.07001	19.7
131.08543	13.8
133.10129	24.6
135.08116	16.1
135.11684	8.0
137.09616	7.9
143.08562	9.2
145.06551	3.0
145.10103	23.8
147.11682	36.2
149.09639	10.4
149.13240	8.8
151.11227	3.4
155.08530	2.8
157.10118	7.0
159.11711	11.4
161.09639	5.3
161.13274	16.3
163.11185	6.3
165.12793	8.1
165.41397	2.7
165.42838	2.7
171.11693	31.5
173.13239	4.8
175.14786	7.9
177.12729	5.2
179.14316	22.0
183.93312	2.7
184.93024	9.3
187.03656	9.5
189.12756	17.4
192.44418	2.6
201.94353	6.2
202.93919	14.2
205.15970	4.7
207.13831	21.2
217.16066	2.8
225.14848	3.7
229.16165	2.9
229.19502	4.7
239.17979	3.5
240.95526	5.9
247.20657	7.5
257.19034	7.5
275.20062	100.0
293.21094	35.0
293.32022	2.7
331.26321	28.1
387.28873	4.6
405.29996	26.2
458.16431	4.5
459.15811	8.2
477.16824	4.0
481.33185	4.5
496.97266	2.6
499.27850	4.3
499.34341	4.6
517.29260	15.2
517.36786	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38097	0.6
55.01873	1.5
55.03252	0.6
57.03421	2.2
58.96693	0.5
61.02917	2.8
66.24316	0.6
69.03425	5.9
69.38010	3.2
70.06593	2.4
72.08152	1.9
73.02909	0.8
81.03429	2.9
84.08138	1.3
85.02901	24.6
86.09691	2.8
91.01710	0.6
91.03931	0.6
97.02891	6.0
99.04443	1.1
109.02862	1.7
116.92731	0.6
117.03327	0.9
121.02838	0.8
123.04425	1.8
127.03922	4.0
131.04912	1.6
135.04462	1.4
137.05939	0.9
145.02803	1.7
145.04973	3.6
145.06360	0.5
147.04399	7.9
149.02304	4.4
149.05966	1.2
151.03896	1.2
159.04443	1.4
161.05975	1.2
163.03903	17.3
175.03957	2.2
175.07465	0.8
177.01849	7.0
177.05414	3.9
185.05991	1.0
187.03914	3.1
187.10724	0.7
189.05415	2.3
191.03415	0.6
191.06911	0.7
195.02853	0.9
199.04170	0.6
201.05484	0.6
203.03380	100.0
204.03737	1.8
205.04933	5.6
213.05487	1.2
215.03427	8.3
219.02950	1.0
221.04518	1.0
225.59753	0.6
229.04953	2.8
229.68523	0.6
231.02888	11.5
231.06354	0.8
233.04433	6.2
237.57324	0.6
240.03049	0.7
250.95432	0.6
259.05954	1.2
261.03952	9.3
265.03525	0.7
269.03625	0.6
273.07379	0.6
275.05283	0.7
279.04990	21.8
291.04974	26.1
303.04904	1.6
321.05981	10.1
339.07104	32.1
389.08826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01887	0.6
57.03446	1.6
60.52138	0.6
61.02937	2.1
61.76350	0.5
69.03432	5.4
70.06617	1.6
72.08136	1.2
73.02909	0.7
75.68518	0.5
80.28548	0.6
81.03422	2.2
84.08173	0.9
85.02406	1.2
85.02914	19.5
86.09715	1.2
87.04507	0.7
91.03967	0.8
92.08170	0.6
97.02912	5.5
98.23333	0.5
99.04468	1.0
103.05491	2.4
105.03398	1.2
109.02891	1.6
127.03951	4.7
131.04938	20.9
145.04959	5.5
158.36267	0.6
159.04431	100.0
160.04788	1.5
163.04027	0.7
163.05977	1.0
177.05486	73.3
178.05855	0.8
203.03384	0.8
220.35994	0.5
285.07571	1.3
321.09521	0.6
328.85208	0.6
339.10773	7.2
465.78952	0.8
518.30499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27912	1.0
53.03941	3.2
55.01865	4.2
55.05500	7.6
57.03436	2.5
57.07082	1.3
61.02918	1.6
67.05502	12.8
69.03430	12.8
69.07069	4.6
70.73875	1.9
71.04984	1.7
71.66051	1.1
73.02908	1.5
79.05487	15.3
81.03414	8.3
81.07053	100.0
82.07355	1.2
83.08630	3.0
85.02400	2.3
85.02900	37.6
87.00823	20.0
88.32798	1.1
90.46207	1.1
91.05479	11.2
91.47600	1.0
93.07038	22.5
93.07597	1.5
94.07352	1.3
95.04961	4.9
95.08600	41.3
95.09209	2.1
97.02897	15.8
97.06529	3.2
97.10179	3.4
99.04468	4.2
105.01862	49.2
105.07025	38.5
105.07729	1.9
107.08587	28.7
109.02865	10.8
109.06523	2.4
109.10155	14.9
111.08077	2.6
113.06007	2.9
117.07019	1.7
119.08571	49.1
120.08882	1.3
121.06545	3.4
121.10125	13.3
123.08065	1.7
123.11700	28.3
125.09650	1.8
127.03909	28.4
127.07639	1.1
129.01840	1.8
131.08569	2.9
133.10118	29.9
135.08025	2.1
135.11679	20.0
136.12491	1.5
139.07542	2.3
142.07790	1.3
143.08540	1.4
144.40598	1.3
145.04938	16.2
145.10144	2.2
147.08125	1.2
147.11671	16.2
149.09624	1.2
149.13206	1.6
153.09132	6.0
157.10110	5.3
159.02881	4.4
159.11678	7.7
161.09599	5.1
161.13249	47.5
165.09132	2.4
173.13284	1.8
175.11172	2.7
179.10623	2.1
189.04019	1.2
189.16373	72.9
190.16730	1.6
199.14854	3.2
213.03983	1.4
215.14334	1.3
217.15854	17.7
231.05005	10.9
235.16924	44.5
241.15901	1.2
249.06044	12.6
252.19702	2.5
259.17047	2.4
263.07144	2.2
284.09921	2.7
291.06360	1.7
321.07516	11.6
325.17969	4.4
343.18805	2.9
361.20053	2.6
424.76712	1.1
429.19183	1.3
447.19888	2.4
465.21243	1.5
469.75937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
56.05027	3.8
57.03443	9.6
57.07076	32.4
67.05511	8.9
69.07056	8.4
69.77169	3.0
71.07372	9.1
71.08266	1.8
71.08633	21.7
79.05504	1.3
81.07059	9.3
83.08617	8.5
85.10178	12.8
86.09705	58.7
89.06036	3.1
91.05495	1.3
93.07050	3.1
95.08604	14.5
97.10184	4.5
99.11745	1.0
104.10729	6.8
109.10193	8.5
113.00015	6.2
123.11732	3.2
125.00079	2.0
125.09620	1.4
127.55593	1.3
146.98177	75.5
164.99287	1.5
184.07410	3.3
257.24844	3.9
274.96649	1.1
288.28067	1.0
291.71347	1.2
313.27328	29.1
373.07053	1.2
406.30426	2.3
459.24814	100.0
460.25134	2.2
472.77844	1.4
518.32220	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32112	0.2
53.57547	0.2
55.05495	0.5
56.05038	0.6
57.03423	0.2
58.06599	0.3
60.08158	7.3
67.05500	1.1
69.07058	0.6
69.11544	1.1
71.02010	0.2
71.06974	0.3
71.07368	3.7
71.08646	0.2
79.05484	0.7
81.07053	1.2
82.07446	0.3
83.08625	0.3
85.06520	0.2
86.09703	31.3
91.05487	0.6
93.07050	0.7
95.05003	0.2
95.08611	0.8
97.05570	0.2
98.98456	3.1
104.10738	5.8
105.07024	0.6
106.25602	0.2
107.08553	0.4
109.06495	0.3
109.10149	0.4
110.06866	0.3
113.00013	7.2
119.08591	0.5
121.10095	0.3
122.94909	0.2
123.08069	0.6
124.08476	0.4
125.00001	21.0
131.08565	0.3
135.08018	0.5
136.08328	0.3
143.01012	0.2
145.10071	0.2
147.11678	0.2
149.09550	0.3
151.93106	0.2
174.71657	0.2
176.15186	0.3
179.14308	1.0
180.14615	0.7
184.07335	100.0
185.07620	0.4
187.03673	0.7
290.21838	0.2
304.27084	0.2
331.26370	0.7
332.26620	3.0
388.29236	0.3
406.30319	3.2
488.73270	0.2
500.31482	1.9
518.32520	3.9
522.72894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21809	0.4
55.05505	1.4
56.05027	1.4
57.03432	0.6
58.06338	0.5
58.06603	1.2
60.08161	18.4
67.05494	3.7
69.07056	1.0
69.93272	1.3
71.06976	0.4
71.07368	7.7
71.08618	0.6
79.05484	2.3
81.07053	3.5
81.15054	0.4
83.08601	0.6
86.09700	54.0
88.44634	0.4
91.05487	1.2
93.07027	2.9
95.04968	0.7
95.08603	2.3
98.98450	4.4
104.10735	100.0
105.07029	0.6
105.11068	0.8
107.08576	1.6
109.06508	1.0
109.10155	1.0
113.00013	13.7
114.00348	0.6
119.08588	0.7
121.10143	0.9
123.08041	1.5
124.08372	0.5
124.99994	33.8
131.08549	0.8
132.79881	0.5
133.10094	0.8
134.10446	0.4
135.08043	1.3
135.11678	0.6
147.11719	0.4
171.17747	0.4
175.14819	0.5
179.14293	1.9
180.14651	1.6
184.07326	94.5
185.07761	0.6
187.03671	1.7
224.05592	0.5
331.26370	1.1
332.26584	5.1
335.25690	0.6
388.29538	0.5
403.93317	0.5
406.30359	5.4
415.28275	0.7
431.27594	3.4
500.31403	10.6
518.32501	34.3
519.33173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
58.06599	0.4
59.07374	0.3
60.05642	0.5
60.08162	5.8
67.05492	0.6
67.89878	0.2
69.29741	0.4
69.30147	0.8
71.07375	2.8
79.05479	0.4
81.07056	0.4
86.09705	28.4
93.07065	0.3
98.22706	0.4
98.98460	2.5
104.10738	2.7
113.00003	0.3
125.00000	21.8
184.07336	100.0
185.07683	1.2
198.26204	0.2
226.39560	0.2
351.61322	0.2
435.30118	0.2
500.31509	1.1
518.32593	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05030	1.4
57.03442	0.4
58.06578	1.5
59.07392	0.3
59.98373	0.2
60.08160	17.4
67.05166	0.2
67.05503	2.9
69.07056	0.5
70.06162	0.2
70.06570	0.3
70.71098	0.3
71.07369	6.6
79.05489	1.7
81.07049	1.9
83.08620	0.2
86.09701	50.5
87.10020	0.3
87.36936	0.2
91.05470	1.0
93.07040	1.9
95.04981	0.3
95.08597	1.4
98.97543	0.3
98.97773	0.3
98.98463	3.7
104.10737	100.0
105.07018	0.5
105.11083	0.6
107.08576	0.8
109.10176	0.5
112.99995	0.3
119.08592	0.3
121.10139	0.6
124.99996	28.9
131.08595	0.4
133.10126	0.4
135.11665	0.2
163.01546	0.5
181.02533	0.3
184.07329	98.6
185.07693	0.6
197.71590	0.2
214.64426	0.2
234.41170	0.2
258.10989	1.1
329.22495	0.2
335.25732	0.8
348.06812	0.2
394.03354	0.3
425.79776	0.2
437.42044	0.2
461.83356	0.2
462.02670	0.3
495.05957	0.3
500.31329	7.8
501.31808	0.3
518.32391	32.0
519.32831	1.2
534.01471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1137
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.00817	0.1
65.03935	0.1
67.01871	0.4
68.99772	0.4
69.03396	0.2
71.04973	0.1
71.06848	0.1
79.05438	0.1
81.03375	0.1
81.07023	0.2
85.02887	0.2
91.05434	0.3
93.07021	0.1
95.08517	0.1
100.11246	0.1
105.06972	0.2
107.08525	0.1
109.02821	0.1
119.04942	1.7
119.08494	0.1
121.02858	0.5
127.03863	0.1
129.01808	0.2
137.05966	0.1
145.02821	0.6
145.03752	0.1
147.89519	0.1
153.01817	4.3
159.11623	0.1
163.03891	0.3
171.02870	0.3
187.03914	0.1
203.07004	0.2
206.51941	0.1
225.05441	0.4
229.04944	0.3
243.06400	0.2
247.06125	0.1
261.44632	0.1
271.05988	100.0
272.06332	1.9
422.98499	0.1
433.11307	1.3
501.10373	0.2
519.11359	2.7
520.12079	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1864
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	1.7
55.01873	7.7
57.03412	1.9
61.02931	2.8
67.05495	1.9
69.03440	7.8
69.07072	2.3
73.02902	1.8
79.05515	3.4
80.85211	1.9
81.03407	4.1
81.07053	5.9
81.43444	1.7
85.02901	17.2
91.03903	1.9
91.05480	5.5
93.03422	2.8
93.07046	3.0
94.04179	2.9
95.04969	3.1
95.08606	3.0
97.02874	6.0
100.11260	7.4
102.20964	1.7
103.05466	5.1
105.04499	1.6
105.07032	7.1
107.05000	2.7
107.08592	3.4
108.26778	1.4
109.06506	3.7
109.10143	2.2
111.04448	2.4
111.08150	2.3
115.05458	3.4
117.07014	3.9
119.08569	3.7
121.06508	1.9
121.10102	3.5
122.03624	8.2
125.05965	3.1
127.03888	3.4
128.06361	2.0
129.06993	5.4
131.04922	10.2
133.06500	2.3
133.10089	2.3
135.08076	2.2
135.11707	2.0
137.05975	100.0
139.38573	1.9
143.04903	2.6
145.04976	2.6
145.06544	2.1
146.03661	2.5
147.04367	3.6
147.11710	1.7
149.05948	2.1
151.03856	1.8
153.05476	3.7
155.04913	2.5
157.06499	3.7
160.05269	1.8
161.05974	15.0
161.13324	1.8
163.07542	11.0
165.05492	7.5
173.05968	4.5
175.07510	9.2
177.05461	6.1
183.04498	2.4
185.06070	2.6
187.07503	5.9
189.06982	2.4
190.07817	2.5
191.07007	10.4
191.08533	3.1
199.07591	2.5
201.16263	2.1
203.07021	5.3
207.07993	3.7
215.07022	6.1
217.08549	14.9
217.15884	2.6
218.07158	8.1
219.08070	11.5
220.08817	2.6
229.06496	3.2
231.08006	3.1
234.06815	6.7
235.07544	6.0
236.08229	3.4
237.09074	2.1
246.06799	7.7
247.07527	12.7
248.08269	4.2
249.05452	1.8
249.09081	7.8
251.06976	2.2
251.10649	2.0
257.05981	4.5
259.07635	4.2
261.09103	11.9
262.06357	3.4
263.07092	7.4
264.07837	8.2
265.08453	3.1
274.06244	7.8
275.06900	8.4
276.07764	3.6
277.08563	15.5
278.09393	3.8
279.10196	6.5
284.21655	1.7
289.08563	23.9
290.09396	3.2
291.06952	3.4
291.10138	9.2
293.11887	2.3
294.08917	3.8
295.09537	2.6
306.08823	6.1
307.09631	43.0
308.10532	2.1
309.11182	15.0
321.11206	47.7
323.12762	13.2
327.12247	44.3
339.12268	43.0
341.13873	4.8
344.85880	1.7
346.31918	1.9
357.13300	20.7
502.34058	2.0
519.17889	3.2
520.20746	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01873	3.7
67.05498	1.3
69.07074	0.6
75.10756	0.5
79.05486	1.7
81.03400	1.3
81.07045	1.7
85.80898	0.6
89.37458	0.6
91.05485	2.6
93.07058	0.7
94.04160	0.7
95.04955	2.3
96.05733	1.4
103.05480	0.7
104.99281	1.8
105.04552	0.9
105.07039	0.8
106.04217	0.7
107.04957	2.5
108.05718	1.8
108.27219	0.6
109.06518	2.7
109.10134	1.2
113.00029	1.4
115.05387	0.7
117.07011	1.3
117.69102	0.6
121.06505	2.7
122.03642	0.7
124.05193	1.9
128.06232	1.8
129.07007	2.3
131.04892	0.6
132.05688	0.7
133.06479	1.4
135.04382	1.3
136.05206	2.9
136.47758	0.7
137.05927	1.4
138.06761	1.7
139.07567	3.9
141.07007	0.7
143.08598	1.1
145.06477	3.3
146.07260	3.8
147.04379	0.8
147.07962	0.7
148.05190	1.2
149.05965	1.6
151.03915	1.4
151.07533	22.6
152.04671	5.2
154.06262	4.0
157.06514	3.1
158.07274	1.9
159.08078	2.5
160.05215	1.4
160.08923	0.9
161.05942	4.4
162.06779	0.8
163.07529	1.8
165.05476	2.0
165.09106	5.7
166.06267	9.2
167.07082	1.9
169.06503	0.6
169.08618	2.6
171.08041	2.7
172.08815	14.2
173.05945	4.4
173.09550	0.9
174.06731	0.8
175.07568	4.9
176.08302	5.2
177.05493	2.4
177.09102	15.2
179.07028	1.1
180.04115	0.7
181.08592	20.5
181.26144	0.7
185.06096	0.7
187.07474	0.8
188.08333	11.7
188.09923	1.2
189.09042	4.2
190.06294	0.6
191.07085	1.7
192.07790	4.3
193.08617	1.1
195.06514	39.2
197.01889	0.7
199.07681	0.7
200.08363	2.0
201.05371	0.7
201.09085	1.1
203.10645	23.9
204.07858	0.8
205.08490	0.7
207.10141	1.0
209.08018	0.7
213.09114	1.8
215.10651	1.0
216.07838	2.4
217.08565	2.0
218.09216	0.7
223.09650	2.8
231.07912	0.8
231.10176	15.8
235.09636	2.7
245.09676	1.6
249.09052	0.8
249.11240	1.9
253.38861	0.6
261.09000	0.7
261.11462	0.6
273.09033	1.0
275.10654	2.9
276.11386	1.4
277.08691	1.7
281.11508	0.7
288.11411	2.1
289.08673	0.9
289.11996	0.8
290.09491	1.1
291.10022	1.9
292.11038	1.5
293.11575	1.6
303.10245	1.6
304.10901	1.6
305.11627	1.8
306.12527	1.5
307.13275	1.4
308.14093	0.6
318.12567	1.4
319.09570	1.0
319.13156	6.7
320.10266	1.1
320.13788	1.2
321.11179	2.1
333.24118	1.2
334.11917	1.1
335.12744	13.5
336.13568	2.3
337.14392	1.2
348.05560	0.6
349.14297	3.4
350.15118	12.7
351.12048	1.2
353.13730	1.3
355.18497	0.8
366.14572	1.1
367.15369	1.4
368.16150	4.3
381.16910	8.3
399.18005	100.0
400.18369	3.4
407.27686	1.2
417.19043	1.9
441.18994	0.7
486.35706	0.9
501.26080	1.1
504.14023	0.7
519.15961	4.8
519.27008	1.7
520.16406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27391	0.3
55.01877	0.3
58.23736	0.3
61.46859	0.3
65.36897	0.3
71.46357	0.3
81.07105	0.3
86.09727	0.6
91.30044	0.3
93.07034	0.3
100.11241	1.9
110.32610	0.3
114.12840	0.6
119.08597	0.5
137.05989	0.8
142.41983	0.3
147.65437	0.3
159.11703	0.4
175.14751	0.5
185.04277	0.4
187.07590	0.4
310.73410	0.3
357.18820	3.3
418.45291	0.3
420.21332	0.7
431.22580	0.3
434.48352	0.3
459.22055	1.1
469.20413	0.5
487.21674	1.1
501.23242	0.5
519.24127	100.0
520.24426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.242
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.4
71.45019	0.3
85.02883	0.4
86.09730	0.3
91.05482	0.4
93.71132	0.3
100.11296	2.0
109.77805	0.3
114.12831	0.3
119.08623	0.5
125.09591	0.3
133.10135	0.4
137.06035	1.2
175.14810	0.4
185.04254	0.4
237.31671	0.3
259.07840	0.5
345.40491	0.3
357.18790	2.8
420.21494	0.6
459.22131	0.7
487.15512	0.4
487.21613	2.2
501.23550	0.4
519.24213	100.0
520.24677	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56615	0.1
55.05502	0.2
56.05022	0.5
57.05815	0.2
57.07079	0.1
58.06602	2.8
64.31334	0.1
67.05499	0.2
69.03410	0.2
69.07066	8.0
69.17551	0.6
70.06588	4.1
70.06866	0.1
70.42464	0.1
71.07019	0.2
71.07375	2.3
72.08153	3.0
76.03973	0.1
82.06550	0.2
83.04998	0.2
84.08131	0.3
86.09703	16.8
91.05489	0.4
96.13025	0.1
96.68976	0.1
97.03036	0.1
98.06064	0.7
98.09653	0.1
99.05577	0.2
100.11253	100.0
100.86946	0.1
101.11567	0.8
116.07082	2.6
119.04939	0.8
121.06513	0.2
123.04440	0.7
126.05508	0.4
126.12758	0.2
127.08688	0.2
127.12317	0.3
136.07567	3.7
138.12773	0.3
139.12335	0.1
140.14351	1.0
141.10204	0.2
145.02826	0.2
147.04401	0.4
147.08069	0.1
154.15912	0.5
155.11775	1.8
155.15474	0.5
162.05548	0.5
165.05482	1.4
169.16992	0.1
171.11121	0.1
174.77084	0.1
175.07524	0.8
176.10754	0.2
177.05521	0.3
182.08113	2.3
182.09630	0.2
183.14917	1.4
188.10680	0.9
195.15009	0.2
197.16463	0.3
199.10735	0.5
199.17984	0.5
205.08621	0.2
211.14398	2.8
217.08598	0.8
222.11246	0.2
225.15979	2.0
234.11252	1.4
239.13899	2.3
246.11360	0.1
247.14372	0.1
249.11755	0.1
261.12338	0.1
263.13925	0.7
275.13943	0.7
278.13980	0.1
295.16446	1.3
295.19244	0.1
299.38269	0.1
305.14948	0.3
307.12936	0.4
321.14563	0.4
332.79636	0.1
335.19708	0.4
338.24271	0.7
347.19653	0.9
375.19211	0.4
376.22363	0.8
392.21753	1.0
402.20221	0.3
420.21277	24.8
421.21558	0.7
488.27533	3.0
491.32245	1.0
519.19257	0.2
519.31818	3.7
520.32367	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01871	6.9
57.03433	13.9
59.05006	2.9
60.04519	3.1
61.02919	4.8
66.25630	1.1
68.99797	2.4
69.03426	76.5
69.07067	2.0
69.11144	4.4
69.11576	4.0
70.06596	2.3
71.05000	2.7
72.08147	1.2
73.02893	6.5
76.20368	1.0
78.52338	1.1
79.05456	1.1
79.41608	1.0
81.03418	24.2
81.07066	2.0
83.01340	1.4
83.04987	6.8
85.02904	100.0
86.03250	1.9
86.09718	3.5
87.00826	39.8
87.04470	21.1
91.05482	3.0
93.07051	1.7
95.04958	2.5
97.02890	70.4
99.04456	14.0
100.11269	6.4
101.11619	2.2
103.03922	2.1
103.05504	1.2
105.01864	82.0
105.07022	14.0
106.02222	1.2
107.04942	1.8
109.02878	29.7
111.04440	5.8
113.02402	1.3
115.03931	33.6
117.01836	2.3
117.05479	1.5
119.04964	1.2
119.08622	2.3
120.08139	1.8
121.06439	1.1
123.04452	1.7
127.03913	79.5
128.04286	1.4
129.01834	1.9
129.05482	4.1
133.04962	20.3
133.06476	1.5
135.04425	1.5
137.05998	4.5
139.03908	4.1
145.04950	32.4
147.02902	3.2
147.04378	1.7
147.07903	1.3
149.05956	1.5
150.07611	23.8
151.03928	1.8
159.02881	11.4
159.11726	1.5
161.13249	1.3
169.04912	1.4
175.07481	1.4
177.05504	4.9
181.04929	1.7
189.03929	6.8
201.04042	2.0
205.04872	2.5
207.06427	1.5
207.10139	1.8
213.03961	7.3
213.09152	4.5
213.96985	1.1
215.05544	2.3
219.17323	2.0
223.06070	2.9
231.04984	37.0
231.10130	2.7
241.07028	8.6
249.06039	18.6
259.07980	1.4
266.08859	1.6
273.05933	2.5
281.11655	1.1
301.09189	2.8
309.06076	1.9
317.10245	2.5
327.07059	12.0
335.11197	5.4
345.08157	18.9
353.12320	1.1
363.09180	4.3
377.22421	1.2
388.16113	1.9
421.21707	1.4
445.73755	1.2
488.21512	2.6
520.18555	5.6
520.24969	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76422	2.2
51.84667	2.1
52.17262	1.9
64.85922	2.1
66.89397	1.9
70.38819	4.1
81.07026	3.0
89.44076	2.0
90.97637	2.1
91.05495	2.7
102.90384	1.9
103.05496	2.3
104.99268	27.5
119.08593	2.1
134.07388	2.2
135.04420	4.6
143.08681	2.3
174.02803	2.4
181.08589	2.5
184.17017	2.4
189.05258	3.1
197.01849	12.8
197.08054	2.2
198.02235	5.0
215.10843	2.7
275.12848	8.9
323.12701	2.1
355.15396	5.2
418.13379	4.7
438.16162	12.7
460.14142	3.8
505.13739	11.2
520.16235	100.0
520.26910	20.3
521.16577	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10455	2.8
70.78381	3.0
77.03950	2.6
79.05474	2.6
82.60842	2.7
83.34441	2.8
91.05468	3.9
103.56977	2.8
107.08574	3.5
124.70835	2.8
129.10411	3.1
133.06499	6.1
135.04414	100.0
148.05202	7.2
151.07576	6.2
157.06586	3.7
161.05959	4.7
163.07553	5.5
166.06290	12.5
171.08054	4.8
179.20428	3.2
179.93364	2.8
181.08604	81.8
187.07562	11.2
189.09103	3.4
195.10175	8.5
201.09128	17.6
202.09911	2.9
207.10150	13.4
233.11769	12.1
247.13284	6.7
337.14554	3.4
338.15192	9.4
339.15994	3.9
354.14581	10.3
369.16989	95.3
387.18210	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01869	3.6
55.05500	11.0
57.03440	2.3
57.07093	1.9
64.56988	1.1
65.03938	1.2
67.05504	23.8
69.03428	16.7
69.07063	14.3
69.23289	3.7
69.23701	2.9
71.04990	17.2
79.05492	27.4
81.03416	5.5
81.07054	100.0
83.04980	2.9
83.08595	5.8
85.02898	10.9
85.06562	1.8
86.09724	3.4
87.00824	5.5
87.04501	1.3
90.32792	1.3
91.05478	19.4
93.07047	54.6
95.04988	9.0
95.08606	39.2
97.02892	4.5
97.06534	10.3
97.10168	2.2
99.04458	2.1
99.08073	3.1
105.01838	6.2
105.04553	1.6
105.07026	44.9
107.08589	51.3
109.02909	6.2
109.06518	14.0
109.10154	40.8
111.08059	12.4
117.07005	8.7
119.06121	1.1
119.08575	33.2
119.82859	1.1
121.10141	66.8
123.08085	5.4
123.11702	7.7
125.06047	1.5
125.09629	9.9
127.03897	9.9
127.07562	2.7
127.11200	18.2
129.06998	1.9
130.07791	2.7
131.08554	16.6
133.10123	21.6
135.08064	1.4
135.11688	16.6
137.06001	4.0
137.09631	5.1
138.10425	1.5
139.11205	2.7
143.08577	1.9
143.10658	6.5
145.05020	3.2
145.10115	54.4
147.11667	13.1
149.09624	2.5
149.13243	8.0
151.11180	36.1
153.12880	1.4
155.10672	13.2
157.10187	1.6
159.02934	2.9
159.11691	32.2
161.13251	26.3
163.11188	11.9
163.14864	3.7
165.12769	1.6
171.11777	1.4
173.13264	8.8
175.14870	4.7
177.12808	2.5
191.03523	1.2
191.14340	1.5
191.17966	4.1
201.16377	62.1
202.16695	1.8
204.11742	1.1
219.17436	43.9
226.04126	1.2
237.18480	48.1
238.18829	1.7
295.21075	2.4
356.33453	1.2
371.10306	1.4
520.25824	2.8
521.20563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41843	2.7
53.03938	3.9
55.01868	6.0
55.05509	10.2
57.07077	4.5
57.28660	2.7
59.04992	3.3
67.05496	14.7
69.03426	11.1
69.07062	18.7
69.44881	9.5
71.04993	9.4
78.25282	2.6
79.05495	21.2
81.03418	8.3
81.07053	69.6
83.04985	3.6
83.08607	3.4
85.02909	22.0
85.06533	17.7
87.00823	15.9
91.05483	21.9
93.07039	71.7
93.07610	4.8
95.04984	8.4
95.08597	29.2
95.09148	3.1
97.02888	13.3
97.06530	5.7
98.22748	4.0
99.04447	3.8
105.01866	30.0
105.07024	56.9
107.08592	100.0
109.02872	7.8
109.06490	4.2
109.10149	30.0
111.08082	8.8
115.07556	2.7
115.48844	2.6
117.07034	5.0
119.08570	32.8
121.10134	53.9
123.11715	10.1
125.09628	5.1
127.03905	25.0
127.11258	3.2
130.07800	4.0
131.08565	9.4
133.10123	24.9
135.11681	21.4
137.09581	6.0
139.11211	2.8
141.08989	3.1
143.10661	4.7
145.04980	10.8
145.10124	25.4
147.11739	7.5
149.13257	62.7
151.11186	3.5
155.10657	3.5
159.02951	4.4
159.11708	21.7
161.13266	29.8
163.14850	3.9
167.14349	6.9
173.13266	4.7
175.14789	3.6
177.12732	4.4
179.14296	7.2
191.18036	3.2
201.16350	24.4
219.17422	17.3
231.04932	13.8
249.06061	11.0
308.34061	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63889	1.5
53.03943	3.6
55.01874	1.9
55.05501	5.4
57.03429	3.4
61.02920	2.8
67.05503	4.6
69.03427	19.4
69.07066	11.5
69.48841	5.8
71.04994	3.9
73.02915	3.9
77.49210	1.2
79.05500	8.6
81.03418	16.6
81.07055	15.9
83.08624	1.8
85.02903	38.4
87.00830	24.1
91.05475	14.9
93.07044	38.4
95.04981	3.7
95.08604	22.3
97.02890	21.1
98.22746	2.6
99.04462	6.6
105.01862	25.4
105.07032	14.7
105.07690	2.1
107.08591	100.0
108.08947	2.3
109.02888	12.0
109.06518	2.9
109.10136	10.5
109.56906	1.5
111.04472	1.5
111.08101	1.9
115.03947	3.7
117.07023	2.2
119.08580	5.1
121.06536	1.5
121.10145	36.7
121.10987	2.6
123.11700	4.3
127.03916	27.7
131.08562	2.4
133.10106	6.6
137.09593	1.7
145.04973	11.6
145.10153	5.1
147.11678	5.8
149.13258	73.5
151.14810	8.6
159.02931	3.8
159.11711	5.5
161.04376	1.7
161.13251	4.6
167.14288	16.7
171.11627	1.4
173.13210	2.5
177.12778	1.4
179.14267	3.8
199.03996	1.4
201.16435	4.0
231.05052	6.6
245.37614	1.4
247.04472	2.1
249.06184	2.2
257.15308	3.2
275.16425	7.3
361.16489	4.1
377.09344	1.5
379.17538	3.2
386.23584	1.4
397.18433	3.2
444.79742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73862	3.1
53.03934	8.8
55.01860	7.0
55.05511	21.5
55.17887	3.6
58.79889	3.1
60.54900	2.9
67.05502	23.7
67.23387	3.2
69.03432	19.3
69.07070	13.3
69.19794	13.9
69.20209	8.1
71.04957	5.6
77.03904	5.4
79.05493	22.6
81.03413	13.4
81.07056	82.2
83.04968	27.3
83.08606	5.9
84.55576	3.0
85.02892	46.3
85.03357	5.1
87.00842	22.0
91.05471	38.2
93.07041	100.0
95.04980	18.6
95.08607	55.7
97.02890	24.8
97.06512	6.8
99.04483	5.5
105.01865	48.3
105.04533	4.0
105.07026	73.0
107.08585	51.1
109.02863	11.6
109.06489	4.6
109.10156	28.8
111.08080	30.5
117.07001	8.7
119.08574	49.9
121.10131	46.5
123.08090	7.4
123.11702	9.0
125.09702	3.8
126.64673	3.2
127.03896	32.0
131.08546	25.0
133.10115	28.2
135.11668	10.3
137.09584	4.7
139.11154	4.3
141.77760	3.2
144.09340	5.8
145.04936	15.3
145.10107	67.0
147.11668	10.8
149.13258	13.5
151.11172	6.4
157.10097	6.5
159.02890	5.7
159.11688	54.7
161.13249	71.3
163.11180	21.6
163.14763	7.3
173.13263	13.5
175.14774	6.2
191.17900	6.8
201.14603	2.2
201.16376	64.8
219.17432	37.5
231.05063	17.5
249.06033	11.5
274.49509	3.1
373.17575	5.6
449.21796	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40968	1.4
53.03932	5.1
55.01864	3.0
55.05497	6.4
57.03428	2.1
57.07052	1.7
59.04992	2.0
65.03942	1.6
67.05502	17.5
69.03419	10.1
69.07063	7.1
69.15058	7.0
69.15466	4.2
71.04990	3.1
73.02927	2.9
79.05492	20.9
81.03410	9.9
81.07054	100.0
83.08631	3.5
85.02904	17.4
85.06530	4.1
87.00803	8.4
91.05468	19.3
93.07038	35.9
95.04954	6.4
95.08604	25.4
97.02877	7.0
97.06519	3.0
99.04456	2.7
105.01844	6.3
105.07018	31.6
107.08592	33.1
109.02876	6.9
109.06508	4.7
109.10157	24.6
111.08089	8.9
115.05517	1.8
117.07011	5.4
119.08570	26.8
121.06454	1.9
121.10134	21.1
123.08086	9.5
123.11717	5.7
125.09566	3.1
127.03915	12.9
131.08565	13.4
133.10110	33.7
135.08011	3.5
135.11626	7.7
137.05951	2.0
137.09615	6.6
145.04938	4.0
145.10121	34.4
147.11641	9.2
149.09612	5.8
149.13237	4.0
151.11186	7.8
153.01787	4.6
159.02870	4.6
159.11688	27.5
161.13245	13.8
163.11176	21.3
165.12732	5.0
167.14336	3.2
173.13219	5.7
175.14799	5.3
177.12746	4.5
191.17938	3.4
201.16368	48.2
204.38805	2.1
219.17430	63.4
220.17905	2.2
271.06003	53.2
272.06332	80.5
273.06641	2.5
291.11493	1.7
325.42453	1.6
434.11554	2.2
454.97852	1.6
520.11499	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73124	1.3
53.03944	5.7
53.90034	1.1
55.01872	4.4
55.05515	6.9
57.03428	5.9
61.02921	4.8
64.17856	1.2
65.03940	1.8
67.05505	10.2
69.03429	20.7
69.07057	11.7
69.23872	6.9
71.04998	7.3
73.02917	4.8
79.05504	15.4
81.03413	17.8
81.03852	2.1
81.07056	30.6
83.04996	1.5
83.08634	2.4
85.02904	59.4
87.00827	29.6
91.05473	19.5
93.07044	67.5
95.04988	6.8
95.08605	26.1
97.02898	26.7
97.06608	2.1
98.23483	3.3
99.04462	8.6
105.01873	34.7
105.04526	2.6
105.07026	22.1
107.08591	100.0
109.02885	22.5
109.06522	5.0
109.10170	14.3
111.08073	2.6
115.03956	3.0
117.01858	1.8
117.07014	3.9
119.06043	2.3
119.08578	15.0
121.10150	38.8
123.08051	2.3
123.11669	2.2
127.03918	38.3
127.04876	2.8
129.01863	1.8
129.06985	2.6
131.08565	7.3
133.10118	10.1
135.11664	3.1
137.05956	2.9
143.08540	2.0
145.04964	20.6
145.10120	19.6
147.02859	2.6
147.11714	9.4
149.13257	82.1
150.13582	1.8
151.11172	1.7
151.14830	7.2
157.10103	1.8
159.02879	9.0
159.11703	12.4
161.13235	8.9
167.14328	16.6
173.08313	1.3
173.09711	1.6
173.13268	4.7
175.14734	2.1
176.57947	1.2
177.12735	2.8
179.14276	3.6
187.07588	1.9
189.03972	1.7
201.16360	14.4
203.17889	2.5
213.03949	1.6
219.17455	6.7
231.05022	10.4
237.18442	1.7
249.05945	3.5
257.15421	5.2
263.11874	2.9
275.16394	6.7
303.55783	1.3
317.06552	3.4
361.16440	5.2
367.12665	3.3
379.17313	2.7
386.59744	1.4
391.54337	1.6
397.18307	1.6
520.20673	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01868	4.1
55.05511	9.9
57.03425	4.2
59.05027	2.0
61.02925	4.7
65.03906	3.0
67.05499	16.4
69.03428	19.3
69.07074	16.1
69.27269	5.4
69.27654	6.1
70.06578	2.5
71.04986	10.5
73.02926	3.7
79.05495	24.1
81.03439	12.6
81.07058	69.4
83.04999	3.1
83.08607	2.4
85.02905	49.9
87.00832	27.0
91.05478	27.8
93.07042	78.5
95.04967	5.6
95.08604	32.9
97.02902	22.7
99.04475	5.4
105.01869	32.8
105.07036	35.9
107.08590	100.0
109.02885	16.2
109.06521	5.6
109.10154	23.4
117.07069	3.1
119.08587	18.6
121.10136	45.5
123.08103	3.5
123.11718	5.5
123.16725	2.5
127.03915	38.9
129.01868	2.9
129.07027	3.0
130.07800	3.0
131.07651	2.0
131.08537	12.5
131.70906	2.2
133.10138	21.7
135.11670	8.4
145.04958	18.3
145.10112	38.3
147.11635	12.3
149.09651	2.4
149.13251	76.7
151.11194	5.0
155.38246	2.4
157.10046	3.7
159.02893	9.8
159.11694	24.9
159.72533	2.4
161.13245	10.3
163.11205	7.9
167.14310	9.3
173.13287	8.0
175.14806	3.2
177.12753	4.1
189.03984	2.7
201.16399	31.8
219.17432	21.1
231.05066	8.8
249.06001	3.8
272.06332	2.8
275.16412	4.0
373.17996	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61178	0.1
55.05511	0.2
56.05036	0.6
57.07050	0.1
58.06620	0.6
60.08164	6.8
67.05506	0.8
69.07063	0.3
69.87529	0.3
70.06566	0.1
71.05000	0.1
71.07372	2.9
79.05488	0.3
79.35825	0.1
81.07050	0.5
81.47865	0.1
83.08601	0.1
86.09706	30.0
87.10027	0.3
89.64122	0.1
91.05470	0.2
93.07026	0.1
95.08614	0.3
98.22985	0.2
98.98463	3.4
104.10744	3.8
105.11089	0.4
107.08596	0.1
109.10139	0.2
110.07389	0.1
113.00040	0.1
125.00003	21.7
135.08014	0.1
136.05161	0.2
140.69218	0.1
143.01042	0.2
151.07545	1.7
163.01572	0.1
165.09128	0.2
184.07339	100.0
185.07721	0.9
186.07878	0.1
217.12280	0.2
221.24423	0.1
232.03523	0.1
236.14859	0.4
258.11099	0.2
337.27246	0.2
340.16455	0.2
351.74295	0.1
355.19000	0.3
502.32886	1.1
517.66418	0.1
520.33911	2.7
520.42664	0.2
521.34161	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.81768	0.1
53.03928	0.2
53.24407	0.1
54.14734	0.1
55.05510	1.2
56.05031	1.3
57.03428	0.4
57.07061	0.1
58.06570	1.4
59.07370	0.3
60.08161	17.0
67.05504	3.3
69.07059	1.4
69.09200	0.1
70.71014	0.2
71.07374	6.6
79.05495	0.8
81.07055	3.2
83.08614	0.5
86.09702	50.2
87.10023	0.4
91.05484	0.6
93.07038	0.9
95.04975	0.2
95.08606	2.1
97.06530	0.1
97.10179	0.2
98.98463	4.0
101.35812	0.1
103.33041	0.1
104.10738	100.0
105.07023	0.4
105.11057	0.7
107.08588	0.4
109.10152	0.5
115.68159	0.2
119.08627	0.3
121.10122	0.3
123.11691	0.2
124.99998	27.3
135.11682	0.2
163.01567	0.5
164.47087	0.1
174.99619	0.1
181.02631	0.3
184.07330	98.4
185.07697	0.9
216.19547	0.1
216.84547	0.1
225.54567	0.1
236.14978	0.2
258.11023	1.1
324.77399	0.1
337.27194	0.9
443.25555	0.4
502.32870	7.2
503.33289	0.2
520.33972	31.2
521.34204	1.4
528.31433	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01881	9.5
55.05515	22.6
57.03435	9.1
59.05007	16.0
61.02928	5.5
65.75189	4.8
67.05506	29.6
69.03435	42.7
69.07063	15.9
70.06600	8.3
71.04995	17.2
73.98928	4.5
74.35709	4.7
75.04450	6.2
79.05497	38.9
81.03419	11.7
81.07054	97.0
82.55410	5.3
83.04991	13.2
83.08627	8.5
84.04465	5.5
85.02892	35.5
85.06545	36.0
86.09700	12.0
87.00843	7.8
87.04473	18.3
91.05477	49.9
93.07043	60.2
95.04980	14.2
95.08604	77.9
97.02896	32.9
97.06522	26.6
99.08103	17.0
105.01866	14.7
105.07027	82.8
107.04920	9.1
107.08607	65.6
109.02853	9.5
109.06491	6.7
109.10155	35.2
111.08090	7.6
113.06018	5.8
113.09657	13.1
115.03922	23.4
117.07039	8.2
119.04928	6.5
119.08580	68.7
121.06489	9.7
121.10152	33.6
122.03662	6.6
123.08074	44.2
123.11720	13.6
125.09642	16.1
127.03957	25.2
131.04961	7.6
131.08586	16.3
133.04987	11.4
133.10130	92.6
134.08179	6.5
135.11702	50.5
137.05998	57.9
137.13272	17.3
139.11269	4.6
141.09106	53.3
143.08443	5.4
143.10683	19.9
145.04964	7.2
145.10112	39.0
147.04442	6.9
147.11697	18.2
149.09601	8.8
149.13252	9.4
151.07524	16.1
151.11182	10.5
157.10162	6.6
159.08215	5.0
159.10181	100.0
159.11688	26.4
161.06038	10.4
161.13248	35.3
162.06662	5.7
163.11099	6.2
163.14792	11.7
167.07069	18.1
167.10622	12.0
167.14278	9.3
168.72409	4.6
173.13235	5.7
175.07535	12.7
175.14816	63.5
177.05508	8.0
179.14308	16.7
189.09105	8.8
193.15944	13.9
201.16373	31.0
202.16745	11.9
211.16890	42.3
219.17432	50.3
220.17738	10.7
233.09587	8.2
237.18492	14.6
249.98558	5.8
253.12111	6.8
285.11295	6.9
309.11032	6.2
313.10934	5.0
313.14453	13.0
325.14447	9.7
341.13803	9.2
359.14920	16.9
385.20270	5.4
521.20313	11.0
521.28284	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16096	0.2
55.01874	0.6
57.03434	0.4
61.02921	0.4
62.94044	0.2
65.03931	0.3
69.03423	0.6
70.06592	1.0
72.08146	0.3
74.06113	0.2
79.05488	0.3
84.04522	0.3
84.08159	0.5
85.02885	0.7
86.09691	0.4
87.04457	0.4
91.05514	0.3
97.02902	0.7
101.65432	0.2
103.05469	0.4
105.03353	0.3
105.07036	1.3
107.04950	0.8
115.03934	0.4
120.08107	0.5
120.42189	0.2
121.02861	4.8
123.00820	0.3
124.84057	0.3
131.04913	0.8
132.71562	0.3
133.04976	0.3
133.06488	1.8
135.04404	0.3
137.05974	0.4
141.01825	2.4
147.04410	0.9
149.02200	0.3
151.03891	0.3
151.07561	1.6
156.13803	0.2
161.05984	2.9
161.07187	0.4
163.03937	0.5
163.07509	0.5
165.01839	1.8
169.06505	0.3
174.14879	0.8
177.05608	0.2
181.08609	1.1
183.02904	1.6
183.57127	0.2
186.95767	0.2
187.07344	0.3
193.08575	2.3
197.04399	0.3
197.05930	1.3
201.05499	0.5
203.10655	0.5
215.07059	0.5
225.05453	0.7
243.06529	1.7
271.05917	0.5
299.05493	100.0
300.05887	1.9
385.20114	1.1
461.10825	3.4
477.60880	0.3
522.21350	0.6
522.28595	0.3
523.10205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26806	2.0
55.01867	5.0
57.03426	6.7
61.02922	31.5
69.03419	17.0
70.61447	2.2
70.84731	1.8
73.02929	13.9
81.03417	4.9
85.02900	100.0
91.03952	38.3
97.02885	34.7
99.04459	5.6
103.03976	2.7
104.64680	2.0
107.55595	2.2
109.02883	9.5
110.40777	1.9
112.89626	4.7
115.03940	4.2
127.03020	4.5
127.03910	57.4
128.71492	2.0
136.94044	5.8
145.04947	75.7
151.07561	12.2
151.95792	2.0
154.01959	2.0
156.04201	2.6
157.53058	2.3
158.52794	2.0
163.06009	97.1
166.06232	2.4
174.59300	2.5
181.08592	7.4
213.03122	2.3
251.60403	2.3
278.95139	4.2
325.11371	16.2
334.49893	2.6
370.17462	3.1
385.20105	7.8
393.87653	1.9
418.89639	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	5.5
91.05455	7.3
93.07011	3.8
105.83949	3.2
107.04954	11.2
123.64827	3.9
131.04903	6.4
137.05962	9.0
151.07538	100.0
158.07236	4.3
159.08058	3.3
163.07549	24.8
165.09132	20.8
167.07027	64.4
168.07388	5.2
177.09082	30.1
181.08571	15.6
187.07568	9.0
189.09077	12.4
193.08621	3.9
201.09116	11.1
203.10652	11.5
207.06444	5.0
217.12137	12.5
233.11694	13.3
294.61813	4.1
307.13239	5.8
339.15909	55.7
356.16138	4.1
371.18484	55.3
385.19971	6.5
389.19461	4.2
527.60382	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.27
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06087	21.4
71.46326	5.0
78.18508	4.3
91.05453	6.0
107.04900	6.5
120.96708	4.7
122.19753	4.8
132.92853	4.0
135.04379	12.2
136.05234	11.1
137.06004	24.8
138.06781	4.5
145.06599	4.8
148.05171	12.1
151.07535	100.0
163.07523	11.0
165.09175	7.5
166.06245	21.1
167.07040	59.4
168.07399	13.7
173.05907	6.6
175.07501	6.1
177.09055	21.0
181.08603	74.5
182.08951	19.3
184.34050	4.3
187.07520	10.4
188.08203	10.4
189.09105	9.9
191.10567	5.9
193.08618	7.7
201.09184	9.9
202.09750	5.3
203.10579	17.0
204.07559	4.2
207.10106	9.9
216.11644	6.5
217.12149	12.5
219.10023	6.9
230.18764	4.4
233.11740	13.3
234.12061	6.6
247.13434	6.6
258.41519	4.3
305.13928	6.7
339.15848	12.4
369.16815	8.8
370.17429	17.8
371.18515	70.2
385.20029	20.6
387.17245	5.1
389.19507	6.2
402.19778	18.7
507.58218	4.7
522.15796	12.4
522.30212	5.7
537.05267	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05513	11.4
55.37369	0.9
57.03425	3.9
57.07075	1.1
58.06581	1.4
60.04524	11.8
60.08150	5.0
65.03927	1.2
65.09272	1.0
67.05161	2.0
67.05502	32.7
67.05863	1.6
69.07064	13.7
70.02953	4.2
71.07367	1.6
71.46665	1.1
79.05498	11.1
81.07053	30.3
83.04990	1.5
83.08614	5.6
85.06554	0.9
86.09695	12.2
86.25363	1.2
87.10036	3.6
88.03990	67.1
91.05479	10.2
93.07048	10.4
95.04973	2.5
95.08604	22.7
97.06563	2.0
97.10176	3.7
98.98464	34.5
104.10741	25.1
105.07026	5.0
105.11066	9.8
106.05023	27.5
106.11157	1.2
107.04929	5.0
107.08567	4.2
108.05725	2.3
109.06499	2.4
109.10152	8.4
111.08099	1.7
117.06987	1.0
119.08573	4.3
121.06498	3.0
121.10149	5.8
123.08070	1.9
123.11701	3.1
125.00002	8.8
125.09584	1.1
127.00394	1.1
133.06462	1.1
133.10114	3.6
135.04402	2.4
135.08067	1.6
135.11710	2.5
136.05194	9.6
137.05980	3.3
137.09668	1.7
137.13200	1.8
137.33606	1.0
143.08536	0.9
145.06537	1.2
146.07249	1.3
147.08047	2.5
147.11617	2.2
147.38866	1.0
148.05177	7.5
149.05989	3.3
149.13341	1.3
150.06778	1.8
151.07532	100.0
152.07945	1.1
155.01033	17.0
159.08095	2.4
161.05911	1.5
161.13286	1.8
163.07549	3.4
163.14679	1.0
164.08377	1.3
165.09132	8.9
165.16426	2.1
166.06252	16.6
167.07011	1.4
168.00661	1.3
171.08018	2.2
172.08864	1.5
173.02074	6.9
173.06000	1.9
173.09718	1.1
174.06772	1.7
175.07635	1.1
175.14835	2.4
176.08380	1.2
177.09090	9.1
179.10645	1.1
180.07809	1.5
181.08588	76.8
182.09032	1.1
184.07329	19.4
185.07697	8.1
185.09158	1.4
186.07823	4.8
186.10374	1.7
187.07555	2.8
188.08293	4.1
189.09064	5.8
190.09888	1.9
191.10655	2.8
193.08601	1.8
195.10178	3.2
201.09116	5.0
202.09886	5.9
203.10675	11.1
207.10143	2.2
215.10629	1.2
216.11464	4.4
217.12242	9.5
219.10104	1.3
233.11702	3.8
242.04143	1.4
245.22711	4.7
247.13284	10.6
260.05212	2.3
263.23672	15.9
275.20114	1.1
276.19876	1.1
281.16110	1.0
319.26126	1.0
337.27344	73.6
338.27823	2.6
339.15918	1.0
339.27798	1.0
350.26935	6.7
353.17502	3.3
354.18161	4.6
370.17697	16.2
385.20074	64.1
386.20499	1.2
403.21072	4.1
417.23975	2.2
469.32959	1.6
504.27127	1.8
504.33640	2.0
522.34216	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05497	2.2
56.57457	0.6
57.03434	3.2
62.61636	0.7
67.05497	1.1
69.03430	12.5
69.07066	6.6
69.73493	2.6
70.06585	6.5
79.05477	1.7
81.07032	2.7
83.04956	0.7
83.08611	1.9
85.02913	8.7
86.09713	1.6
87.04475	8.5
91.05486	4.3
93.07039	2.9
95.08600	4.8
97.02901	11.0
105.07026	8.2
107.08607	3.6
109.10168	3.1
110.07150	1.4
115.03920	11.5
119.08584	30.2
120.08076	0.9
121.06477	0.6
121.10113	2.8
127.03925	1.5
131.04951	0.7
131.08534	1.3
133.04974	12.0
133.10132	29.1
134.08112	2.2
135.11690	2.0
137.05965	2.0
137.09621	1.7
145.04965	0.9
145.10109	2.3
147.11676	5.0
150.07619	1.8
151.07556	1.3
151.14760	1.0
160.12495	1.2
167.06911	0.7
173.13226	1.0
175.14816	100.0
176.15132	0.7
181.08586	1.6
193.15866	7.2
241.06940	0.9
259.08099	0.7
261.87344	0.8
277.09055	1.0
307.18808	1.0
385.20297	0.8
417.15134	0.7
522.19531	3.1
523.21490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67900	0.6
55.05502	2.3
57.03432	3.8
57.07066	0.8
59.05003	1.1
67.05487	1.4
69.03432	11.5
69.07069	7.2
70.06591	4.1
71.46097	0.6
77.03937	0.6
79.05489	0.9
79.08974	0.5
81.03413	1.0
81.07066	3.2
83.08606	1.9
85.02902	9.5
85.14532	0.6
86.09697	1.1
87.03975	0.6
87.04469	8.0
91.05475	4.3
93.07033	2.4
95.04951	0.6
95.08604	4.1
95.45901	0.5
97.02895	9.4
105.07028	8.2
107.08586	4.0
109.10156	4.0
110.07196	0.5
115.03928	13.2
119.08579	30.8
119.66721	0.5
120.08135	0.7
121.10130	2.1
123.08151	0.6
123.11717	0.9
127.03914	1.6
131.08508	0.8
133.04961	12.8
133.10126	25.8
134.08145	1.4
134.10513	0.6
135.11703	2.4
137.05980	1.2
137.09624	1.1
145.04961	1.9
145.10100	1.4
147.11694	5.5
149.13261	1.2
150.07608	1.7
151.07472	2.9
159.11638	0.6
160.12479	1.5
162.06635	0.6
163.06062	0.6
169.04984	0.6
173.13278	1.3
175.14818	100.0
181.08624	2.1
193.15874	9.1
203.17969	0.9
204.51363	0.6
213.09438	0.5
259.08344	0.6
270.39838	0.6
272.16870	0.5
289.05203	0.5
307.19165	1.2
347.39899	0.6
385.20059	1.8
415.63165	0.5
441.85089	0.6
522.18829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05508	5.6
57.03431	9.2
59.04979	3.2
60.47453	1.3
61.02908	2.1
61.68968	1.4
64.46177	1.4
67.05495	4.1
69.03069	2.0
69.03432	33.6
69.07075	6.9
69.42452	6.8
70.06578	6.5
71.04981	5.0
72.08148	2.1
73.02927	1.8
79.05508	6.6
81.03410	5.5
81.07047	12.9
82.07388	1.4
83.05006	2.3
83.08626	2.3
85.02901	26.4
85.06532	2.9
86.09695	4.2
87.00818	1.6
87.04475	18.1
91.05484	8.8
93.07041	12.2
95.04942	2.4
95.08598	17.0
97.02894	32.1
97.06539	2.8
99.04449	2.2
99.08089	5.3
103.05431	1.7
105.04473	1.4
105.07030	18.8
107.04952	2.2
107.08593	19.0
109.02858	4.4
109.06517	1.7
109.10144	4.7
111.04420	1.5
113.09630	2.7
115.03933	33.1
119.04906	2.4
119.08574	56.2
120.08094	2.9
120.08912	2.0
121.06477	2.0
121.10135	6.4
123.04414	1.8
123.08116	3.0
123.11726	4.0
125.06021	1.8
127.03909	16.5
129.07031	1.6
131.08609	3.4
133.04973	32.7
133.10127	80.5
134.08121	2.1
134.10484	2.3
135.10753	2.3
135.11684	23.8
136.07550	5.5
136.12039	1.6
137.05977	8.4
139.03877	1.8
140.32945	1.3
141.09093	1.7
143.06984	2.0
145.04942	5.4
145.06490	2.6
145.10139	4.1
147.04431	2.1
147.11694	4.1
148.05159	1.5
149.05971	1.7
149.13235	2.4
150.07610	3.6
151.03957	1.4
151.07523	10.6
159.10164	3.6
159.11607	1.6
160.10570	1.8
160.38200	1.4
161.05922	3.6
161.13202	1.6
163.06116	1.8
163.07512	2.2
167.07057	2.1
173.13260	2.5
175.07439	1.5
175.14821	100.0
181.08592	8.6
189.09167	1.4
193.15886	24.7
211.16934	69.3
215.10732	1.9
217.08565	1.7
231.84644	1.7
247.13315	1.6
259.08066	2.3
267.10052	2.2
277.09067	1.7
295.10040	2.2
307.18927	1.5
309.11166	1.7
337.19955	2.3
342.14215	2.5
360.15005	2.2
385.20200	4.7
419.28174	3.0
522.21686	3.3
523.13934	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93377	3.4
53.03934	3.7
55.05502	13.4
56.65020	3.2
57.07045	3.5
67.05494	12.6
69.03420	11.4
69.07057	13.4
70.49137	7.0
71.04980	24.8
79.05485	23.5
81.03413	10.4
81.07053	97.6
83.08601	7.1
85.02437	4.8
85.02895	28.9
87.00832	10.2
91.05496	22.0
93.07037	46.0
95.08613	31.3
97.02880	13.3
97.06499	4.4
97.10172	4.7
99.04469	4.5
99.08064	3.5
105.01859	15.6
105.04514	4.2
105.07028	39.3
107.08597	49.2
109.02854	11.1
109.06528	5.9
109.10154	40.5
117.06963	5.0
119.08574	84.7
121.10138	16.5
123.11700	20.6
127.03909	22.7
127.11192	25.3
131.08559	5.5
133.10117	46.6
135.10643	5.2
135.11682	100.0
136.07558	8.5
137.05995	5.1
137.09598	7.1
137.13206	5.3
143.10635	17.2
145.04979	8.6
145.10092	4.8
147.11676	28.3
149.13254	11.3
151.07526	15.7
151.11078	3.4
153.12744	12.0
161.13257	17.4
163.14847	6.1
171.13689	6.6
181.08549	14.9
203.17929	79.7
221.18980	93.8
231.04968	6.4
289.05341	4.0
358.61612	3.5
385.20047	14.0
414.22794	6.8
460.23389	5.7
522.27405	7.8
523.21289	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05522	1.9
56.05049	2.0
57.03434	0.7
57.07075	0.5
58.06595	1.4
59.45195	0.4
60.08161	18.3
67.05498	1.6
69.07068	2.8
69.85419	1.4
70.54813	0.4
71.07372	7.0
79.05480	0.6
81.07047	1.3
83.08615	1.3
86.09704	52.2
93.07030	0.7
94.92253	0.4
94.95954	0.4
95.08600	1.4
97.10182	0.9
98.98455	4.5
104.10739	100.0
105.11067	0.9
107.08581	0.6
109.10155	0.6
125.00000	31.2
127.90698	0.4
151.07570	1.6
163.01530	0.5
181.08630	1.4
184.07335	97.3
200.59956	0.4
212.89914	0.4
258.11115	1.1
339.29004	1.3
385.20102	1.2
474.37885	0.4
504.34436	8.8
522.35547	38.4
523.35858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56279	0.1
55.05507	0.6
56.05042	0.4
56.46423	0.1
57.03442	0.2
58.06623	0.5
59.07384	0.2
60.08159	5.6
60.08468	0.3
67.05500	0.5
69.07063	0.7
71.07369	2.5
79.05479	0.4
80.97401	0.1
81.07040	0.5
83.08600	0.4
86.09700	28.4
87.10043	0.2
91.05479	0.7
93.07030	0.5
95.04939	0.2
95.08596	0.6
97.10187	0.2
98.98460	2.4
104.10735	2.5
105.07024	0.4
107.04936	0.6
107.08582	0.3
108.05688	0.2
118.04113	0.2
119.08601	0.2
123.08080	0.2
124.99996	19.3
129.07021	0.2
131.08554	0.2
135.08080	0.2
136.05202	0.7
136.93076	0.1
137.05946	0.3
138.06795	0.2
145.10106	0.2
148.05191	0.6
150.06796	0.1
151.07535	9.1
152.07896	0.3
153.42647	0.1
155.67863	0.1
159.08063	0.2
163.07498	0.3
164.08351	0.2
165.09105	0.6
166.06219	1.7
167.07002	0.2
171.07941	0.2
172.95184	0.1
173.06039	0.2
176.08275	0.2
177.09084	0.8
181.08591	6.4
184.07329	100.0
185.07726	0.7
187.07503	0.4
188.08290	0.4
189.09097	0.6
191.10681	0.3
195.10126	0.2
201.09093	0.3
202.09886	0.4
203.07018	0.1
203.10741	0.9
207.10016	0.2
216.11475	0.4
217.12175	0.9
233.11705	0.5
247.13283	1.0
258.10941	0.2
275.19867	0.2
353.17392	0.4
354.18137	0.6
370.17682	1.2
385.20038	5.5
386.20291	0.4
403.20917	0.3
504.34610	1.1
522.35406	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48442	0.3
55.05514	2.0
56.05034	1.3
57.03431	0.5
57.07070	0.5
58.06607	1.6
60.08162	18.1
61.71062	0.4
64.42892	0.3
67.05500	1.4
69.07059	2.8
70.72050	0.5
71.07372	6.1
75.04449	0.3
79.05486	1.5
81.07046	2.2
83.08615	1.6
86.09702	53.3
91.05484	1.1
93.07039	1.1
95.04983	0.5
95.08604	1.5
97.10152	0.7
98.98457	3.6
104.10738	99.3
105.07049	0.6
105.11059	0.4
107.04957	0.7
107.08570	0.8
108.05759	0.7
109.10155	1.1
117.07011	0.6
121.06448	0.6
121.10097	0.7
124.99999	30.5
129.49010	0.4
131.08569	0.7
135.07993	0.4
135.11647	0.5
136.05231	1.8
137.06006	0.7
141.41647	0.3
147.08063	0.6
148.05157	1.7
151.07533	20.8
152.07901	0.4
154.94121	0.4
163.01608	0.8
163.07472	0.5
164.08308	0.4
165.09103	1.6
166.06262	3.4
171.07858	0.4
172.08839	0.4
173.05904	0.5
177.09099	1.6
179.10696	0.4
180.07887	0.4
181.08594	14.4
182.08972	0.5
184.07333	100.0
185.07681	0.7
186.10381	0.7
187.07536	0.6
188.08282	0.9
189.09084	1.4
191.10703	0.7
195.10126	0.8
201.09149	0.8
202.09859	0.9
203.10635	2.1
216.11505	1.0
217.12186	2.4
233.11723	1.0
247.13278	1.7
258.10956	0.9
308.22028	0.4
339.28891	0.9
353.17499	0.8
354.18182	1.2
370.17902	2.5
385.20050	12.1
386.20511	0.6
403.21109	0.9
421.30276	0.6
434.29529	0.4
469.33212	0.6
504.34415	8.0
505.34335	0.4
522.35516	39.0
523.35742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95507	0.3
55.01868	0.6
55.05497	1.8
56.05006	0.4
57.03428	0.7
58.06593	4.0
59.07365	1.1
60.08162	7.6
67.05502	4.2
68.05112	0.4
69.07072	3.2
69.14156	1.7
69.14569	0.6
71.07358	2.9
78.04696	0.4
78.22305	0.4
79.05486	3.3
81.07047	3.9
83.04960	0.5
83.08617	1.1
84.93999	0.4
86.09703	29.7
87.04453	0.6
91.05480	4.5
93.07033	2.5
95.04944	1.4
95.08609	3.7
97.06509	1.2
98.98459	3.2
104.10744	3.8
105.07013	3.3
107.04922	2.3
107.08574	1.5
108.05766	0.9
109.06518	0.6
109.10162	1.0
112.05501	0.3
115.59828	0.3
117.07019	1.0
119.08568	1.9
121.06480	1.1
121.10123	0.9
121.53861	0.4
123.08081	0.9
125.00000	20.7
129.06938	0.7
131.08589	1.1
133.06445	0.5
133.10115	1.5
135.08014	1.0
135.11703	0.6
136.05214	2.3
137.05991	0.6
137.09579	0.4
138.06757	0.4
143.08554	1.0
144.10144	0.6
145.06483	0.8
145.10110	1.4
147.08055	0.7
147.11665	0.8
148.05180	1.9
149.09619	1.5
150.06770	0.6
151.03943	0.8
151.07539	30.2
152.07892	0.9
153.09082	0.4
157.10085	1.0
159.08046	0.4
159.11699	0.9
161.13234	0.6
163.07559	1.2
163.11140	0.9
165.05441	0.4
165.09109	2.3
166.06244	5.4
167.07030	0.4
169.10081	0.4
171.08083	0.9
171.11729	0.4
172.08852	0.4
173.05917	0.8
173.09746	0.6
173.13129	0.5
174.06767	0.7
175.07520	0.6
176.08263	0.8
177.09055	2.3
180.07817	0.8
181.08594	22.3
182.09038	0.5
184.07335	100.0
185.07671	0.5
186.10425	0.6
187.07590	0.9
187.14906	0.4
188.08366	1.8
189.09111	1.5
191.06908	0.5
191.10699	0.9
193.08653	0.8
195.10083	1.2
201.09120	1.4
202.09860	1.7
203.10660	3.2
207.10110	0.7
216.11378	1.2
217.12241	3.1
219.10152	0.6
233.11729	1.1
236.14912	6.3
247.13300	3.7
275.20044	3.6
281.74210	0.4
293.21121	1.1
301.21707	0.4
353.17438	0.9
354.18292	1.0
355.15591	0.5
357.24451	0.5
370.17770	4.9
375.25238	1.0
385.20059	17.7
386.20319	1.1
403.21017	1.1
433.31009	0.6
438.62717	0.4
451.31985	0.7
469.33035	1.4
487.34137	1.2
504.36496	2.1
522.37726	9.6
523.38214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01868	2.0
55.05509	11.6
57.03418	2.6
67.05502	20.5
69.03424	1.5
69.07060	7.7
69.15840	5.8
69.16242	2.5
79.03050	1.5
79.05488	15.5
81.03427	4.8
81.07052	29.1
83.04977	4.6
83.08605	13.7
86.09688	2.5
91.05475	20.9
93.07042	17.4
95.04961	14.9
95.08598	16.0
97.06519	5.4
97.10152	3.1
98.22858	6.1
105.07021	17.1
107.04948	10.1
107.08595	13.2
108.05743	2.0
109.06535	5.8
109.10145	4.8
111.08086	4.4
114.66789	1.4
117.07021	5.6
119.08577	13.2
121.06517	8.0
121.10110	9.2
123.08053	4.2
123.11707	2.1
123.81474	1.3
125.09634	2.8
129.06981	1.7
131.08549	6.8
133.06522	1.5
133.10133	9.9
135.04417	2.5
135.08044	4.5
135.11674	6.4
136.05203	6.0
137.05972	3.3
137.09615	2.1
138.06755	2.1
141.06940	1.9
143.08560	2.6
145.06564	1.7
145.10104	11.8
147.08032	1.7
147.11728	7.3
148.05180	5.4
149.09615	9.5
149.13248	6.7
149.14278	1.7
151.07535	100.0
152.07890	2.3
155.08543	2.2
157.10114	2.2
158.07188	1.7
159.08054	2.2
159.11678	8.2
161.06041	2.2
161.09500	1.3
161.13223	1.7
163.07510	2.2
163.11143	10.6
164.08336	1.5
165.09116	7.1
166.06252	14.0
167.07048	2.0
168.95886	1.3
169.10110	2.7
171.11664	1.7
173.05908	2.3
173.09552	3.0
173.13240	1.9
175.11179	1.5
177.09146	6.5
177.12759	3.7
179.10690	1.8
181.08588	68.0
183.11632	1.9
186.10406	1.5
187.07579	2.5
188.08316	3.3
189.09088	5.6
189.11043	1.8
189.12683	1.6
191.10677	2.7
193.08540	2.5
195.10167	4.0
195.13826	7.6
197.13243	1.8
201.09074	5.1
202.09894	4.8
203.10680	9.3
213.14726	1.4
216.11441	3.7
217.12267	11.3
223.13260	10.6
229.19359	2.5
233.11642	3.4
239.17941	5.1
247.13255	9.9
257.18964	10.0
257.65399	1.7
275.20044	76.3
293.21088	35.4
311.86252	1.4
353.17657	3.0
354.18240	3.5
370.17792	18.6
385.20053	68.4
386.20435	4.9
403.21085	4.2
469.33072	3.0
487.34012	4.3
522.32928	6.4
529.18964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15030	1.3
55.05511	1.7
56.96562	14.0
66.39201	1.3
70.51334	2.8
84.96022	5.1
91.05476	1.6
98.97577	37.1
110.97596	2.8
112.99100	7.0
116.98612	12.4
128.98616	2.7
131.00172	5.0
134.99641	4.0
140.56757	1.4
140.98508	1.6
143.00081	1.3
144.98105	2.2
146.99835	1.3
151.07539	10.3
157.80576	1.4
158.99637	12.4
159.01651	1.6
167.07074	3.2
173.01237	4.9
177.00735	5.2
191.02263	3.8
201.00722	1.7
219.01787	6.7
237.02882	2.7
257.12079	4.1
275.13110	15.1
277.14792	5.4
281.14325	1.5
291.12466	1.5
293.14285	6.0
303.01175	8.9
305.02695	4.6
317.14368	7.2
319.15771	2.9
335.15231	2.2
359.15338	2.5
361.16693	1.7
385.13931	1.6
437.18451	39.5
455.19330	2.4
479.19836	28.9
522.41180	3.3
523.19366	100.0
524.19678	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79487	1.4
69.79869	1.7
73.25280	0.8
78.13853	0.7
81.07062	1.0
93.07053	1.5
95.08578	1.1
96.72680	0.8
101.00896	0.9
107.98518	0.8
134.23593	0.7
151.07520	1.2
161.33432	0.8
203.05324	2.8
243.04732	7.8
245.06332	10.0
271.04175	1.4
275.16171	5.0
277.11508	0.7
287.03717	48.2
289.05273	78.2
290.05582	1.0
342.34521	0.8
431.18140	0.9
437.21796	1.5
455.33752	0.9
479.22656	5.8
523.21454	100.0
524.21802	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54664	2.7
55.05500	6.1
57.03430	8.8
58.07997	2.6
66.53972	2.5
67.05495	6.3
69.03421	34.5
69.07079	4.4
70.06554	6.4
71.04977	4.4
71.46356	2.7
73.02878	3.3
79.05477	6.1
81.03400	3.7
81.07040	10.9
83.04974	2.6
84.08115	2.9
85.02905	27.0
85.06544	2.7
86.09709	8.8
87.04460	16.2
91.05473	10.9
93.07037	18.3
95.04958	3.3
95.08598	13.3
97.02882	24.9
99.04412	3.2
99.08072	4.4
100.11243	4.6
105.07035	9.3
107.08592	23.2
109.10145	20.6
109.74188	2.4
115.03916	23.4
119.08560	19.9
120.08085	4.3
121.06499	3.9
121.10145	10.2
123.08074	5.9
123.11678	8.6
125.09605	5.4
127.03896	4.2
131.04915	4.0
131.08669	2.9
133.04968	24.5
133.10126	57.8
134.08127	3.7
135.11682	58.2
136.07556	8.5
137.05969	9.8
137.09637	9.6
138.10341	2.3
144.71426	2.4
145.04991	3.9
145.10153	3.6
147.11736	2.5
149.06013	3.2
149.13239	4.5
150.06345	2.6
151.07536	3.7
151.11182	4.8
161.05962	3.3
163.03905	13.5
165.16426	3.8
175.14812	55.6
177.05432	5.5
181.08728	2.9
182.08995	2.7
193.15865	100.0
209.08061	10.5
210.08495	5.7
211.16907	26.2
219.10110	9.3
229.17950	15.8
279.95065	2.9
343.08218	2.9
343.21194	3.7
433.19208	6.2
505.24792	6.0
523.28198	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.0
57.50438	0.5
59.04984	0.8
60.04511	1.7
69.03425	21.1
69.07068	0.8
69.92606	1.3
69.92937	0.8
70.06582	2.3
71.04956	0.5
73.02912	0.6
77.13055	0.5
79.05482	2.0
81.03412	1.3
84.04474	1.0
85.02402	1.1
85.02896	16.1
86.09682	0.7
87.03967	1.0
87.04465	14.4
88.07511	0.5
91.05462	1.3
95.04919	0.8
97.02890	17.6
98.06057	0.9
98.22672	0.8
103.05450	2.1
105.07018	2.0
107.04256	1.1
107.04953	22.3
109.02827	0.5
115.03923	21.0
115.05423	0.7
116.07075	1.4
117.06996	1.0
120.05688	0.6
121.06493	1.0
123.04448	1.3
124.05164	0.8
125.05910	0.6
127.03895	1.4
131.04884	1.1
133.03940	0.9
133.04961	17.8
133.06480	1.0
134.08176	0.9
135.08015	6.1
136.07512	0.7
137.06001	1.3
144.06549	2.3
145.04947	1.4
145.07562	0.8
149.05841	0.9
150.07635	2.8
151.03882	0.6
153.05441	0.6
154.06270	0.9
156.13840	1.3
162.07498	0.8
163.06384	0.4
163.07524	19.9
167.07028	54.4
168.07434	0.9
174.14893	4.8
180.07700	1.2
181.08601	3.8
195.10152	16.9
213.11198	100.0
214.11545	1.7
237.11357	0.7
251.83286	0.7
259.08276	0.6
279.12265	1.7
291.12210	2.4
294.11758	0.8
299.05334	1.6
300.05829	1.6
301.06052	1.8
309.13358	1.4
312.13022	0.5
496.28622	0.8
506.25589	1.1
524.27454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	5.0
62.35221	3.9
67.05487	7.5
70.16059	8.6
70.16385	7.4
79.05490	6.8
91.05473	11.4
95.04966	10.8
105.06999	6.6
107.04954	14.4
108.02107	4.5
122.03635	4.5
123.04426	49.2
133.06471	5.0
135.04408	5.1
139.03810	5.8
139.07483	4.4
140.04654	13.1
145.06508	5.2
147.04434	5.1
151.07536	67.4
153.05415	5.0
161.05978	8.5
165.07924	4.8
165.09059	27.9
167.07028	72.5
167.08322	6.3
168.04189	10.2
171.08000	8.4
177.09108	14.3
179.07066	10.7
181.08569	7.8
183.06506	98.2
184.08842	7.5
186.10361	8.9
187.07574	6.5
188.08340	13.2
189.09109	25.0
200.08369	4.9
201.09077	10.8
202.09872	6.3
203.10544	8.6
215.10666	34.5
217.12206	42.7
233.11664	20.5
275.12747	100.0
291.10123	4.7
323.12897	9.8
337.14258	9.3
355.15359	26.9
373.16800	5.1
387.17947	12.7
445.50092	4.2
471.24789	4.8
486.91638	4.9
524.30957	5.8
525.39929	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.1
57.58125	0.5
67.05488	1.0
69.65485	1.6
70.06579	0.5
75.05971	0.5
76.07612	0.7
79.05480	1.4
81.07061	0.6
85.32413	0.5
91.05476	1.2
93.21110	0.5
95.04963	0.9
98.23463	1.2
98.97563	1.0
107.04960	2.8
110.85448	0.5
115.05421	1.0
121.06499	1.5
123.04424	1.2
124.05225	0.6
124.97550	0.6
129.06995	0.8
131.08569	0.6
143.08554	0.6
145.06558	0.5
146.62491	0.5
149.05978	0.9
151.07544	3.4
153.07005	0.7
157.06493	2.4
159.08043	1.1
161.06009	0.7
165.09120	2.8
167.07016	9.7
168.05708	1.0
169.06494	1.8
170.07251	0.6
171.08083	3.8
172.08853	3.8
173.05931	1.3
173.09615	0.6
174.06760	0.6
174.10359	1.5
176.08220	0.6
177.09071	2.0
181.08597	1.7
182.13632	0.5
183.08075	0.8
184.08806	6.0
185.05957	2.0
185.09686	1.4
188.08319	10.2
189.09074	2.7
193.08597	1.5
199.07541	0.7
200.08334	5.1
201.09068	2.2
202.09796	0.6
203.10660	8.9
205.08620	0.6
205.12209	2.5
205.99614	0.5
215.10655	34.6
216.10988	1.0
218.09283	1.1
231.10081	1.1
233.11729	18.1
245.11751	0.7
259.12280	8.8
275.12759	100.0
276.13211	2.6
277.12753	0.6
305.11658	0.6
309.11255	0.6
337.14310	0.9
369.08701	0.5
369.16943	4.1
439.14096	0.6
439.19696	2.4
441.78900	0.5
481.21356	1.4
524.21417	2.2
524.28613	0.8
525.21283	3.1
525.30347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79169	0.5
62.18602	0.6
62.35092	0.6
64.99453	0.5
69.86897	1.0
69.87227	0.6
71.90796	0.5
79.05508	0.8
81.03381	0.5
81.07070	0.8
86.09651	0.7
90.57396	0.5
91.05457	0.6
93.07088	0.7
95.04965	0.6
105.07027	1.2
107.04950	2.6
119.08578	0.5
121.06532	1.5
128.06227	0.8
129.06995	0.9
141.07062	0.8
143.08623	0.7
146.07263	0.6
149.06021	1.2
151.07521	3.4
157.06461	1.9
159.07994	0.7
161.06021	0.6
165.09116	2.8
167.07051	8.9
169.06476	1.5
170.07292	0.8
171.08014	3.1
172.08824	3.1
173.05992	1.0
174.06798	1.2
174.10402	1.4
177.09084	1.9
181.08574	1.6
183.08128	0.8
184.08803	6.1
185.06015	1.5
185.09474	0.8
188.08319	8.7
189.09081	2.5
200.08334	4.8
201.09071	2.3
202.09692	0.6
203.10658	7.4
205.12195	2.1
215.10663	32.3
216.11064	1.1
218.09302	1.2
231.10179	0.7
233.11696	15.7
233.13904	0.8
245.11800	0.6
275.12769	100.0
276.13135	2.4
291.12448	0.6
309.14792	0.8
320.21835	0.6
337.14203	1.2
369.16922	3.9
524.28638	1.2
525.22455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
56.14167	1.0
57.70089	1.0
65.03941	1.3
67.05505	7.1
68.99796	1.7
69.22950	5.3
70.95660	1.1
77.03925	1.1
79.05472	6.8
81.07072	1.7
84.04511	1.1
87.54055	1.0
87.78205	1.0
91.05473	5.1
93.07050	2.6
94.04167	1.8
95.04971	9.5
105.03334	1.3
105.04477	1.7
105.07039	1.8
107.04950	12.0
109.06512	1.4
115.05423	2.3
117.07021	2.1
118.54536	1.0
119.04964	2.9
121.06487	4.3
122.03652	6.2
123.04430	50.1
124.05207	1.5
125.06013	3.1
129.06995	1.7
133.06470	1.8
135.04399	3.2
136.05157	3.0
137.05978	5.0
139.07494	2.5
140.04671	11.6
142.07816	1.1
143.08557	1.3
145.06471	3.9
146.07202	3.2
147.04396	4.1
149.05966	2.4
150.06732	2.2
151.07542	63.9
153.05463	4.8
153.06798	1.1
157.06496	4.5
158.07233	2.8
159.04384	3.3
159.08093	2.4
160.05173	1.1
160.08815	1.1
161.05989	2.7
164.36890	1.0
165.05482	1.4
165.09109	18.2
167.07039	51.7
168.04150	6.5
169.06435	1.7
170.07300	1.7
171.06610	2.3
171.08028	5.7
172.08774	3.8
173.05965	2.9
173.09615	1.6
174.06747	5.0
174.10387	1.4
175.07509	2.0
176.08307	2.4
177.09106	16.9
179.07040	9.8
181.08644	5.4
183.06531	84.7
184.07054	1.1
184.08818	6.8
185.05946	2.8
186.10414	5.8
187.07547	3.8
188.08328	11.9
189.09100	20.4
190.09741	1.2
191.07007	1.4
191.10631	1.3
193.08580	2.6
200.08328	4.7
201.09097	7.9
202.09814	7.3
203.07040	1.2
203.10670	10.9
205.12148	1.7
215.10670	36.7
216.10966	1.1
217.08917	1.3
217.12238	33.9
219.08049	1.8
225.07538	2.0
231.13680	1.1
233.11751	13.3
245.09549	1.4
261.09103	1.5
262.09918	2.0
263.10599	1.9
274.09396	1.2
275.12769	100.0
276.13110	1.8
277.08630	1.7
277.11987	1.5
279.10260	1.7
280.10867	1.1
290.09280	2.2
305.11700	4.5
307.09674	1.9
309.11194	1.5
309.14691	2.1
322.11984	1.6
323.12695	8.7
337.14355	10.3
338.14966	2.0
345.23810	2.0
347.25516	3.4
355.15439	15.8
369.16962	8.0
387.17950	8.0
397.16217	2.0
415.17841	1.4
429.19302	1.1
524.28876	4.0
525.22113	2.6
525.30255	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57592	0.8
71.20539	0.5
75.82270	0.5
77.07286	0.4
78.04709	0.6
79.05487	1.7
81.07053	0.6
83.78790	0.5
90.74201	0.5
91.05488	0.7
95.04958	0.7
96.97159	0.5
105.07031	1.1
107.04955	3.4
108.67396	0.5
121.06478	1.6
121.15817	0.5
122.00771	0.6
124.05190	1.0
133.10124	0.6
143.08478	0.6
145.06487	1.0
149.06006	0.8
151.07553	4.1
157.06506	2.6
165.09117	3.1
167.07047	9.0
168.05687	0.5
169.06465	1.6
170.07243	0.6
171.08072	3.4
172.08774	2.8
173.05966	1.4
174.06685	0.7
174.10472	2.6
177.09131	2.5
179.07028	0.6
181.08614	1.2
183.08044	0.8
184.08835	5.8
185.05914	2.4
185.09595	1.2
187.07510	0.6
188.08318	9.4
189.09065	1.9
190.10007	0.6
193.08577	1.3
199.07602	0.6
200.08380	5.2
201.09122	2.1
202.09926	0.7
203.10646	8.6
205.08672	0.9
205.12248	2.4
215.10672	35.0
218.09354	0.9
229.45386	0.6
233.09378	1.0
233.11708	18.2
245.11781	0.7
263.10516	0.6
275.12769	100.0
276.13074	1.9
291.12421	0.6
310.66425	0.6
337.14438	1.7
358.77081	0.5
369.16867	4.1
524.20050	0.8
524.28894	0.8
525.22675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24298	0.5
58.54700	0.5
60.03976	0.5
64.45347	0.5
65.03953	0.8
67.05500	0.9
69.03424	0.6
69.07088	0.6
70.35284	0.5
70.85699	0.8
76.60088	0.5
78.04701	1.8
79.05497	4.3
81.03442	0.5
81.07042	1.5
91.05479	2.7
93.07048	2.5
95.04971	1.6
95.08602	0.6
103.05444	3.2
105.07020	3.2
106.04176	1.7
107.04955	6.3
109.06525	0.9
115.05477	2.7
117.07019	2.6
118.04203	0.6
119.04889	0.5
121.06501	5.0
122.03639	1.1
123.04429	7.2
123.08094	0.9
124.05205	3.3
126.02513	1.0
126.42812	0.6
127.03211	0.7
128.06187	0.8
129.06975	1.1
131.04924	6.5
131.08585	1.4
133.06490	4.8
135.04353	0.5
135.08055	1.0
137.05977	5.4
139.07535	0.6
141.06985	1.3
143.04874	1.0
143.08542	1.1
144.05756	1.3
145.06458	5.1
145.10133	1.3
147.04420	0.9
149.05981	1.5
151.03877	1.3
151.07529	8.9
152.04636	2.4
153.05472	0.8
155.06053	0.8
155.08502	0.8
156.05713	0.5
158.07300	2.4
159.08022	1.9
161.05981	4.5
163.07538	11.9
165.09134	0.8
166.06308	0.9
167.07031	100.0
168.07430	1.2
171.08032	0.8
172.05241	1.1
173.06004	5.4
173.09602	2.7
175.07460	2.6
177.09079	1.6
179.07002	2.8
181.08571	11.7
182.04567	0.5
185.09808	1.7
186.06741	1.2
187.07518	8.4
187.09055	0.8
189.09071	0.8
193.08591	16.0
193.10352	0.9
193.90935	0.6
199.33131	0.6
201.09084	5.5
202.07750	0.6
203.08589	1.7
204.07710	0.7
205.08571	3.6
207.10126	0.9
217.08583	3.3
219.10135	6.3
231.08029	2.0
231.10129	0.7
233.11723	13.1
235.11191	1.1
245.09573	0.7
248.08162	1.1
249.09084	0.5
259.07489	0.8
261.11383	1.2
263.10669	2.6
291.10123	3.4
295.13406	2.9
323.12772	8.4
337.14389	0.8
344.12119	0.8
355.15384	28.5
369.17072	0.8
387.13214	1.2
387.18011	20.2
405.18924	2.2
447.20123	1.8
480.32471	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42904	4.0
55.01863	6.6
55.05508	30.5
57.03434	7.0
57.07071	5.9
62.42771	3.8
67.05495	46.2
69.07067	23.8
71.47156	4.4
76.47121	3.7
79.05492	46.5
81.07054	45.6
83.04998	7.1
83.08628	20.3
85.02896	6.0
86.09701	11.8
88.03979	8.3
91.05463	37.4
93.07040	49.4
95.01327	3.8
95.04955	32.7
95.08604	27.5
97.06516	6.2
97.10172	9.0
104.10719	7.3
105.07029	38.9
107.04948	12.8
107.08585	29.6
109.06525	8.0
109.10145	19.2
117.07028	11.9
119.08568	28.5
121.06509	7.3
121.10120	28.6
123.08051	5.7
125.00009	6.8
125.09649	7.1
131.03415	5.4
131.08566	12.2
133.10120	30.7
135.08086	6.6
135.11671	20.9
135.32378	4.9
136.93147	4.7
141.01770	5.6
143.08517	8.7
145.09142	4.1
145.10104	20.7
147.11694	13.4
149.09584	19.4
149.13264	7.7
151.07559	10.4
151.11174	9.7
152.07909	6.0
154.94096	9.2
159.11714	9.6
161.13289	6.7
163.11200	16.5
171.11743	7.6
172.95166	7.4
173.13269	4.5
181.08614	8.0
184.07347	17.3
189.11118	4.9
210.97826	5.5
223.13271	32.1
228.97856	8.2
239.17935	7.9
257.19009	13.6
262.12979	3.8
273.18381	4.1
275.20029	100.0
277.21591	35.3
293.21051	50.8
306.71490	3.9
308.19803	4.0
339.28690	8.5
387.20566	6.8
471.34213	4.8
489.35660	10.9
507.36609	4.2
524.24274	19.4
524.36792	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05498	0.4
56.05035	0.6
57.07076	0.8
58.06616	0.7
59.07405	0.3
60.07872	0.4
60.08163	6.2
63.66817	0.2
67.05495	0.5
69.07066	0.3
69.71045	0.7
69.71430	0.5
70.06581	0.3
71.07381	2.7
71.08612	0.6
79.05503	0.4
81.07046	0.8
86.09704	29.1
95.08607	0.6
98.98463	3.4
104.10737	3.9
107.08572	0.4
109.10172	0.4
113.20808	0.3
117.06995	0.3
124.99998	19.6
136.25813	0.3
142.54657	0.3
151.07491	0.7
152.07840	0.6
154.16144	0.3
154.94164	0.3
172.95219	0.4
181.08578	0.4
182.08922	0.3
184.07332	100.0
185.07617	1.0
188.07446	0.3
195.02298	0.3
208.27475	0.2
275.19885	0.4
341.29935	0.3
387.20459	0.5
412.24658	0.4
506.36325	1.5
524.24792	1.4
524.37109	3.9
525.17493	0.6
525.37744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3716
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.36455	0.3
55.05520	0.4
56.05037	0.8
57.03444	0.4
57.07077	2.9
58.06617	1.5
58.31395	0.4
59.07411	0.4
60.08165	16.0
61.61320	0.3
67.05495	1.0
69.07069	0.9
69.75933	0.6
69.76283	1.0
70.06577	0.4
71.07375	6.5
71.08627	1.8
73.01913	0.3
73.49078	0.3
74.15401	0.3
76.14072	0.3
79.05485	0.5
81.07064	1.2
83.08619	0.7
85.10194	0.9
86.09708	50.6
87.10074	0.5
95.08596	1.5
97.10189	0.6
98.98465	4.0
104.10744	100.0
105.11088	0.9
109.10193	0.6
121.10158	0.4
125.00006	27.1
140.39726	0.3
143.01131	0.4
147.11710	0.3
151.07492	0.6
163.01553	0.9
184.07343	99.3
185.07640	0.7
205.87828	0.4
258.11105	1.3
341.30563	1.2
501.07617	0.4
506.36026	8.8
507.36478	0.5
524.37085	39.6
525.17059	0.4
525.37543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.4
57.03437	15.0
60.83749	5.3
67.05502	100.0
69.07066	10.9
79.05476	18.7
81.07063	41.2
83.08601	6.5
85.06536	8.2
86.09691	7.1
91.05488	17.8
93.07051	30.4
95.08618	27.7
105.07008	7.3
107.08635	13.6
108.29333	5.1
109.10160	67.4
119.08576	14.8
121.10159	15.8
132.10205	8.2
135.11697	8.9
151.07526	7.6
171.51768	4.9
173.11746	15.5
187.75198	6.6
194.72849	6.3
216.65047	5.1
229.14346	67.8
261.22040	10.0
290.43268	5.7
335.25809	40.5
464.12543	6.0
489.35779	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4076
Annotation	2-O-methyl PAF C-18
Peak:m/z	Relative Intensity
52.62873	4.0
56.75605	4.1
62.72831	4.8
75.10140	4.1
76.35214	4.4
88.25028	4.6
98.22614	9.0
121.60114	4.6
219.68855	3.7
231.09453	3.9
249.83035	4.1
328.22745	4.6
524.40704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2101
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
53.46917	1.8
69.07064	1.8
81.07069	2.9
87.74847	1.8
95.08603	1.8
98.97578	25.0
116.98618	5.9
127.94022	1.7
131.00171	3.6
158.99600	9.9
159.62178	1.9
169.01923	1.7
169.03616	1.8
173.01289	5.6
177.00740	5.1
187.02736	4.2
188.47606	1.6
191.02274	3.0
215.11743	1.7
219.01758	4.8
229.03876	2.8
233.03474	1.9
303.01178	7.2
305.02646	54.4
319.15851	3.1
341.05954	2.0
349.42789	1.9
355.15231	2.4
412.74823	1.7
481.22141	6.4
481.32623	3.1
525.20935	100.0
525.28656	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55750	1.6
56.39796	1.8
56.96559	7.5
78.19487	2.0
98.97575	14.5
112.99104	2.3
116.98638	5.5
120.08115	2.1
131.00195	3.2
141.02286	2.8
141.88623	1.8
144.03307	1.7
158.99660	9.7
173.01228	2.6
177.00751	4.2
219.01785	6.4
225.11967	1.8
233.04895	1.7
237.02821	2.9
267.12811	3.2
277.14771	3.8
289.05478	2.9
290.13248	1.7
303.01126	5.6
305.02637	6.0
367.07339	5.8
421.18921	8.2
439.20242	7.2
465.14716	7.3
481.21539	12.2
524.32880	2.0
525.21063	100.0
525.30225	13.5
526.20837	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2104
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96571	10.4
81.07018	1.8
84.96007	2.5
97.75075	1.9
98.23618	2.0
98.97588	6.8
105.07008	2.2
116.98624	2.8
134.39366	1.7
150.16762	1.6
203.78973	2.3
209.08495	2.4
219.01845	3.0
225.11551	2.7
260.92340	1.7
267.12842	10.9
268.13110	1.7
279.12601	3.4
295.15735	4.1
301.08765	1.9
333.20554	2.6
337.17004	2.3
393.09805	6.5
421.19101	5.3
439.19965	17.8
481.21466	20.1
507.19818	3.4
525.21027	100.0
526.21423	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2104
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
53.16639	1.0
55.05513	1.6
56.54768	1.1
56.96566	2.9
61.86666	1.1
67.06044	1.0
70.49157	2.1
74.38192	1.0
83.08632	1.2
84.96028	1.4
86.59277	1.1
98.22762	1.2
98.97581	9.9
112.99127	3.5
116.98641	3.1
131.00157	3.7
158.99684	2.7
173.01262	3.0
177.00677	2.6
191.02261	1.6
277.14743	4.0
295.15747	1.6
298.67603	1.1
303.01141	3.9
305.02640	20.3
311.05103	1.1
319.15753	4.9
363.08347	1.3
439.20074	6.6
481.21689	11.8
508.26816	1.3
518.87671	1.4
525.13513	12.5
525.20984	100.0
525.29724	7.8
526.21539	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2311
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
67.05507	0.5
69.07065	0.4
70.33347	0.7
71.04979	0.7
79.05479	0.7
81.07069	1.2
91.05470	0.7
93.07033	1.0
95.01089	0.6
95.04960	0.3
105.07021	0.7
107.08603	1.1
113.07796	0.3
116.29414	0.3
119.08605	0.4
121.10111	0.6
121.65438	0.3
126.99986	0.6
131.08578	0.6
133.10135	0.5
141.05185	0.9
145.10165	1.1
148.70905	0.4
153.01543	0.7
159.11728	0.8
182.01968	0.3
185.04240	0.9
194.42667	0.3
199.05838	0.4
200.95985	0.3
203.05283	0.6
227.05267	1.6
243.04784	1.5
245.06380	1.4
259.16714	2.2
271.01801	0.3
271.04156	1.7
277.17703	2.8
287.03766	2.1
289.05240	5.5
351.17487	0.8
353.15729	0.8
371.15985	0.3
382.08508	0.4
393.18869	2.2
395.16806	1.1
403.20874	1.3
421.21997	2.9
437.17783	11.0
439.15808	2.3
439.23053	4.1
445.22089	3.1
463.23041	12.6
463.29562	0.7
464.23300	0.4
481.24033	21.5
482.24554	1.0
489.20926	19.3
490.21667	0.5
507.21994	51.3
508.22287	2.3
525.23077	100.0
525.30035	6.5
526.23444	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13777	0.3
56.60445	0.4
69.20993	2.0
71.04998	1.0
72.44190	0.4
79.05516	0.6
81.07061	1.1
93.07038	0.9
95.08627	0.4
98.22706	0.9
105.07041	1.2
107.08605	1.0
121.10187	0.5
133.10178	0.7
141.05254	0.6
142.73705	0.4
145.10173	0.7
159.11685	0.6
185.04213	0.8
227.05295	1.4
243.04832	1.1
245.06296	1.1
259.16800	1.4
271.04282	1.1
276.28180	0.4
277.17731	2.8
287.03766	1.6
289.05264	3.1
353.15802	1.0
393.18820	1.5
395.16818	1.7
403.20862	1.1
421.22061	2.4
437.17822	5.6
439.15955	1.5
439.23022	5.3
445.21997	2.6
463.23047	6.3
481.24066	26.3
482.24545	1.2
489.20966	10.6
507.22034	26.4
508.22302	1.4
525.23083	100.0
525.29803	4.6
526.23358	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2334
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01856	1.2
58.06609	2.6
67.05509	0.4
69.03431	0.5
70.06572	1.4
70.53700	0.7
74.22307	0.6
75.82784	0.5
79.05480	1.6
81.03421	2.2
81.07042	1.3
84.91520	0.4
85.02883	1.1
91.05476	2.6
93.07030	1.1
94.04168	2.6
95.04956	0.8
103.05451	6.1
105.07012	4.0
107.04952	2.0
107.08568	0.5
107.48370	0.4
109.06534	1.6
110.07175	0.9
111.04413	0.7
115.05471	0.8
117.06985	0.8
119.04963	1.1
119.08474	0.5
120.05589	0.5
120.08083	0.6
121.06519	3.2
122.03644	6.1
123.04411	0.6
123.08033	0.5
128.06242	1.1
129.07001	0.8
131.04927	8.3
131.08571	0.6
133.06488	16.1
134.06941	0.4
135.08055	5.8
136.05263	0.5
137.05972	100.0
138.06326	1.9
139.03841	0.5
143.04939	0.6
143.08559	1.2
145.06474	3.5
147.04376	0.5
147.08023	1.1
149.05945	1.5
151.07547	6.0
151.81433	0.4
153.05414	0.6
157.06470	1.9
159.08011	0.6
159.11612	0.4
160.05196	0.6
161.05989	1.3
163.07533	26.5
171.08061	2.0
174.06830	1.5
175.07536	3.1
177.09064	0.8
181.08580	0.6
187.07492	1.4
188.08299	0.9
189.09120	3.7
201.08913	0.6
203.10657	2.8
210.11185	0.5
217.08553	1.7
219.10213	1.2
235.11148	0.8
263.10666	1.4
295.13284	12.5
327.15875	13.7
335.09515	2.6
351.15948	0.8
369.17010	0.6
510.24088	0.5
525.23059	20.2
526.23480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01878	1.7
55.05500	8.5
57.07053	2.1
57.22712	1.3
67.05498	7.9
69.03434	5.6
69.07071	5.0
71.04987	2.3
71.46291	1.6
79.05495	8.7
81.03418	3.9
81.07046	18.5
83.04967	7.6
83.08630	2.9
85.02901	7.7
85.06532	2.9
86.09694	1.9
87.00815	1.7
91.05477	6.2
93.07038	15.6
95.04960	2.8
95.08600	10.1
97.02898	2.1
97.06539	3.2
99.04493	1.8
101.93798	2.1
105.07018	16.6
107.04948	3.7
107.08585	14.1
109.02872	2.6
109.06573	3.5
109.10160	10.2
111.08086	2.1
113.09663	5.6
119.08566	18.3
120.08070	1.8
121.06509	4.8
121.10138	22.0
123.08144	1.8
123.11723	5.4
125.09681	2.8
127.03932	3.2
131.08505	3.4
133.10123	34.5
135.08101	3.7
135.11662	8.2
137.09593	19.9
139.11194	5.1
139.82742	1.4
145.04970	2.4
145.10129	3.5
147.08038	3.7
147.11685	7.0
149.09627	2.5
149.13231	3.6
151.11189	10.5
159.11646	2.1
161.09654	5.2
161.13278	4.7
175.11171	2.6
175.14809	18.6
185.13249	2.3
189.12752	3.1
201.16371	3.5
203.14256	7.3
217.15959	2.7
241.19525	3.4
259.20566	28.4
264.44888	1.8
277.21603	100.0
304.79892	1.6
345.12454	1.8
367.22601	1.9
445.25934	1.9
465.14511	2.0
525.20428	11.2
525.27075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
58.86097	0.4
61.88683	0.4
63.49786	0.4
67.05500	1.0
69.03436	0.6
69.07090	0.4
70.06587	0.4
74.33913	0.3
79.05499	1.2
81.07052	0.8
85.02905	0.4
85.06519	0.7
91.05475	0.8
95.04978	1.2
95.08569	0.6
97.06523	1.1
98.97578	1.0
99.08082	0.7
105.07022	0.5
107.04951	0.7
107.08546	0.5
109.10175	0.4
116.64214	0.4
121.06480	0.5
122.03678	0.5
123.04439	3.7
124.04777	1.2
137.06000	0.9
140.04678	0.9
143.29256	0.4
151.07524	5.6
152.07823	2.4
153.05528	0.5
165.09155	1.1
166.09523	0.8
167.07033	3.0
168.04233	0.6
168.07352	2.1
171.07999	0.4
172.08591	0.6
177.09099	0.9
178.09421	0.6
179.07172	0.7
183.06528	7.0
184.06903	3.4
185.09015	0.5
188.08308	0.8
189.09047	2.5
190.09543	1.1
201.09026	1.1
202.09729	0.6
203.05258	0.8
203.10550	0.9
204.11014	0.6
212.16209	0.4
215.10652	2.0
216.11061	2.1
217.12277	1.9
218.12534	2.2
233.11794	1.8
234.12073	1.1
263.10538	0.4
270.67981	0.4
275.12781	4.3
276.13107	5.6
305.02826	0.7
324.13080	0.7
338.14813	1.1
345.24002	13.2
347.25543	22.2
348.25739	0.6
355.08179	0.4
356.15866	0.9
363.25168	0.6
370.17383	0.7
388.18268	0.8
439.23083	1.0
473.15155	0.4
481.23788	0.6
525.22412	7.8
525.30310	100.0
526.23383	0.7
526.30597	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05497	1.1
67.05503	1.2
69.03407	0.9
69.07049	1.6
70.06575	1.3
79.05500	3.7
81.07069	1.1
82.06583	4.3
86.09671	1.1
89.03932	1.3
91.05476	1.6
93.05814	1.2
93.07031	5.8
94.06573	7.3
95.07350	3.7
95.08613	2.1
96.08129	15.5
100.11263	1.1
103.05466	1.3
106.06569	3.9
108.04480	4.5
108.08115	13.5
110.09675	14.0
116.05001	7.6
120.04473	1.8
120.08104	13.0
121.06512	1.3
122.06025	12.1
124.07587	52.3
134.06053	1.6
136.07574	12.5
137.05975	1.4
138.05507	1.3
138.09134	19.5
140.07050	3.1
144.04449	14.1
146.06018	9.8
148.07539	7.2
151.03938	3.3
152.07056	9.0
154.08723	1.2
154.12180	1.0
159.94962	0.9
160.03912	4.7
162.05521	2.9
166.08629	39.7
167.07039	1.0
168.06573	4.3
172.03922	42.7
174.05450	5.9
178.04944	1.5
189.09105	1.1
190.04982	75.8
191.41835	0.9
192.06555	1.5
204.06551	43.5
206.08179	3.3
207.09192	1.5
210.14816	1.1
211.12274	1.7
223.12251	2.2
224.09514	2.8
225.10272	2.2
235.08662	1.1
236.09409	2.6
237.10226	3.3
249.10199	1.3
250.11086	1.9
251.11845	6.1
252.08919	2.3
253.09778	3.9
253.13159	1.9
255.11430	1.0
264.08957	2.6
265.09616	4.4
266.10571	1.2
267.11316	3.5
269.12814	1.1
270.35892	1.0
278.10498	1.1
279.11230	11.7
281.09210	3.6
283.10785	1.3
285.12326	1.7
287.10263	3.6
293.08951	1.4
295.10617	5.2
297.12308	20.3
299.10211	7.7
307.10730	5.5
311.10440	1.7
313.11823	4.6
323.10205	7.2
325.11798	100.0
326.12119	1.6
326.99716	1.0
329.11292	23.2
329.15137	1.4
335.10217	2.7
341.11374	12.1
343.12885	12.5
353.11322	11.6
357.14493	3.8
361.14066	2.1
373.13797	2.4
385.13849	1.6
448.18860	2.2
452.17957	5.0
456.13098	1.0
466.19934	1.3
476.18130	11.5
494.19211	82.7
495.19629	2.1
508.20242	5.4
526.16107	1.8
526.23102	5.1
527.23492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.3
55.01885	1.5
55.05495	1.4
58.06613	1.0
67.05511	2.6
68.78246	1.1
69.07067	1.9
70.06592	1.4
70.10849	1.0
74.44918	0.9
79.05493	2.5
81.03397	1.4
81.07056	2.4
82.06567	3.1
84.04514	1.3
84.08119	1.4
85.02872	1.3
89.03890	1.6
91.05477	2.5
93.07054	3.3
94.06565	8.5
95.04958	1.9
95.07339	1.9
95.08607	1.5
96.08124	16.0
97.06497	1.5
100.11220	1.5
105.07072	1.4
106.06532	4.0
108.04476	4.3
108.08126	10.9
110.09685	14.4
111.04440	1.7
116.04977	9.3
118.06521	2.1
119.08559	1.3
120.08097	11.1
121.06498	1.7
122.06024	10.1
124.07589	48.7
132.04477	1.5
132.92146	1.1
136.07568	15.8
137.05936	1.2
138.09143	17.8
140.07043	3.8
144.04445	15.3
146.06030	11.5
148.07532	6.4
150.05525	1.5
151.03896	4.8
152.07089	7.1
154.05031	1.0
154.12236	1.4
160.03922	7.7
162.05479	3.8
166.08623	36.2
167.07080	1.1
168.06577	4.3
170.08224	1.5
172.03931	48.3
173.04631	1.9
174.05513	7.2
182.15366	2.1
190.04990	74.3
191.05505	1.6
195.67407	1.0
204.06555	42.2
206.08084	3.5
206.09804	1.4
221.10663	1.1
223.08778	1.8
223.12276	2.2
225.10190	4.2
235.08749	1.3
236.09419	4.9
237.10266	3.5
239.11658	1.7
248.05457	1.0
250.10948	1.8
251.11723	7.1
252.08957	2.4
253.09671	2.3
255.11240	1.3
264.08926	2.2
265.09753	3.5
267.11346	5.0
279.11279	10.7
281.09247	3.4
281.18704	1.1
283.10797	1.4
285.12088	1.4
287.10236	3.4
293.09268	4.2
294.09888	1.2
295.10815	4.5
297.12326	18.6
299.10403	6.2
301.11578	1.5
307.10760	6.4
309.12134	1.7
311.10275	1.9
312.11404	1.3
313.11841	4.8
323.10245	9.9
325.11807	100.0
326.12170	1.9
329.11273	24.4
329.15131	1.3
335.10059	3.2
341.11258	16.4
343.12775	13.7
353.11252	12.5
357.14487	5.2
359.12112	1.2
361.13840	1.6
371.12344	1.2
373.13904	2.2
385.13986	1.5
448.18478	2.0
452.17981	4.7
476.18118	14.4
494.19174	95.3
495.19437	2.8
508.20352	4.9
526.16553	1.3
526.23993	6.2
526.36646	2.2
527.20740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60665	3.3
53.57904	3.5
55.05513	13.2
57.03439	10.6
57.07073	4.5
59.70543	3.1
60.47720	3.2
67.05511	93.5
69.07068	12.1
70.06606	4.0
70.86709	5.0
73.30853	3.5
74.18742	3.2
77.81207	3.0
79.05499	8.5
81.07059	35.2
83.08644	12.6
85.87920	3.4
86.09711	3.4
89.06036	11.2
91.05482	7.9
92.62494	3.1
93.07054	9.3
95.08617	30.2
95.59896	3.0
97.06479	3.0
105.07028	4.3
107.08630	5.2
109.10168	64.9
119.08574	7.5
119.98539	3.1
120.14381	3.3
121.10171	5.6
123.11782	5.2
133.08626	9.8
173.11777	14.1
229.14337	56.0
231.08469	3.6
277.94791	3.2
327.20010	8.3
337.27304	45.5
391.47571	3.8
448.40387	3.3
491.37341	100.0
527.22784	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.07075	66.5
67.05499	3.1
69.07071	10.5
70.97881	1.7
71.08632	55.0
73.06554	4.8
81.07058	3.3
83.08623	5.3
83.72592	1.3
85.10181	37.9
86.09692	2.1
87.04460	4.3
89.06030	100.0
91.05471	1.8
93.06970	1.6
95.08614	2.0
97.10178	3.4
98.22929	1.9
99.11755	6.3
107.07070	2.2
107.08611	1.7
109.10162	1.7
111.11726	5.2
113.12598	1.1
113.13273	7.3
117.06969	1.2
117.09143	3.8
119.08515	1.5
125.13276	2.0
127.14849	3.6
130.08636	2.7
133.08603	64.1
145.10049	1.2
146.11775	1.6
147.11703	1.2
153.13295	1.2
161.11786	1.5
177.11224	27.4
195.12314	1.5
214.44853	1.1
221.13800	8.4
227.23566	1.6
239.14963	3.6
271.26288	4.1
277.21774	2.6
283.17551	3.7
293.21133	2.0
295.22659	3.3
315.28973	5.1
327.20169	23.6
421.35226	1.5
465.37708	2.3
509.40436	28.5
526.42566	2.0
527.22400	4.9
527.31445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17907	0.3
54.63095	0.3
55.86121	0.3
60.89577	0.3
64.32657	0.3
69.48665	0.4
69.49038	0.6
76.22655	0.3
78.72213	0.3
102.22960	0.3
107.04952	0.3
136.05194	0.8
144.86269	0.3
148.05173	0.6
151.07527	8.2
165.09163	0.4
166.06274	1.1
177.09114	0.4
181.08572	5.4
189.05183	0.5
201.09123	0.4
203.10713	0.7
217.12466	0.3
233.11717	0.4
346.20468	0.3
347.80960	0.3
370.17673	0.5
385.20032	0.5
425.19238	0.7
467.20401	4.4
512.20343	0.6
527.22491	100.0
528.22833	8.5
528.30902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2251
Annotation	7beta,8beta-Epoxyroridin H
Peak:m/z	Relative Intensity
63.09074	0.4
65.68730	0.4
69.69956	1.3
69.70309	0.5
76.48135	0.4
122.07492	0.4
147.39911	0.5
151.03801	0.5
151.07536	5.5
166.06258	0.6
176.62077	0.5
181.08600	3.6
189.05318	0.5
203.10689	0.7
228.58301	0.4
246.81015	0.5
425.19354	1.1
467.20328	3.9
527.22504	100.0
528.22693	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24249	0.3
51.91766	0.3
61.09483	0.3
67.14597	0.3
67.83187	0.3
70.28986	0.4
70.29288	0.6
71.02584	0.3
81.07057	0.8
85.02899	0.4
85.50910	0.3
91.05506	0.3
93.07055	0.7
107.08619	0.5
109.29716	0.3
127.00111	0.4
129.38910	0.4
165.09155	1.4
185.04271	0.7
203.05330	1.5
227.05382	0.6
245.06329	7.0
245.08757	0.6
261.18170	2.5
271.04279	0.4
279.19385	3.9
289.05316	9.0
336.92212	0.3
347.09003	0.5
365.10416	0.8
376.14536	0.3
381.39963	0.4
397.71548	0.3
423.23285	1.8
441.24643	6.0
465.24609	5.0
483.20261	0.3
483.25635	14.5
509.23608	17.2
527.24652	100.0
528.24799	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3346
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
57.07072	2.1
62.98262	1.1
67.05508	0.8
69.34313	3.2
71.08606	1.2
74.27552	0.5
74.97418	0.6
81.03390	0.8
81.07047	1.1
89.06026	19.3
90.06366	2.3
93.07040	0.8
100.44817	0.7
109.10180	0.8
119.08600	1.0
124.93748	1.1
130.08597	0.6
133.08607	15.4
134.08958	2.7
156.96408	2.2
172.96397	0.8
177.11214	5.2
212.90739	0.7
221.13789	0.9
235.13065	1.1
239.14832	0.8
251.12595	1.6
283.17474	0.7
284.98325	0.7
315.19324	1.2
327.20148	8.4
328.20477	5.6
432.63953	0.9
437.20251	1.6
467.21375	2.5
469.23001	4.1
527.22614	14.5
527.33386	100.0
528.22797	1.3
528.33618	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3347
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
55.05511	0.6
64.51626	0.5
67.05502	0.6
69.07098	0.7
69.65184	1.7
81.07061	0.9
93.07060	0.7
95.08609	0.6
98.22687	0.5
105.07048	0.5
111.03118	0.5
121.10143	0.5
124.93786	1.1
198.97414	7.5
198.99094	0.7
200.51491	0.5
233.65289	0.5
235.13045	32.1
247.13057	1.2
315.19290	34.7
316.19775	0.6
338.27808	0.7
435.18738	5.4
509.20740	0.6
509.32706	1.3
527.23279	8.6
527.33392	100.0
528.23254	0.8
528.33728	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92342	1.2
53.03945	2.8
55.01883	3.4
55.05516	3.9
57.03448	4.1
61.02927	1.4
67.05498	9.1
69.03442	4.1
69.07069	3.0
69.52490	2.3
69.52901	3.9
70.06580	5.9
71.04987	1.5
72.08166	1.4
73.02935	2.8
79.05504	9.7
81.03416	100.0
81.07044	10.6
83.04986	3.5
83.08615	23.2
83.35246	1.1
85.02927	4.9
86.09708	3.6
91.05479	12.9
92.05004	1.5
93.07034	6.4
94.99765	1.3
95.04968	28.7
95.08633	3.5
97.02911	5.1
97.06534	2.5
97.10183	1.8
99.04475	1.9
103.03956	1.3
104.72514	1.1
105.07014	7.6
107.04951	7.5
107.08620	4.6
109.02900	4.4
109.06520	2.8
110.03693	2.8
111.04486	3.6
111.08089	9.2
113.00843	1.1
115.05473	1.6
117.07022	2.4
118.06583	4.9
119.08587	10.3
121.06525	2.2
121.10184	3.8
123.04447	2.7
123.08092	2.0
127.03936	2.7
129.07018	9.3
131.08553	8.9
133.06519	3.7
133.10190	3.7
135.08078	1.4
135.11687	1.3
136.07619	5.8
137.09608	1.5
142.07831	2.2
143.08527	1.1
147.04382	1.8
147.08109	3.6
147.11711	8.9
149.09659	4.8
151.11128	1.2
157.10138	11.7
162.09122	6.8
163.09930	1.8
163.11211	1.5
170.05565	1.2
175.11182	14.0
177.05499	2.4
185.13309	1.3
191.00134	3.2
193.12241	79.6
194.12636	2.0
209.01138	1.3
211.13269	6.9
221.06621	1.3
227.65810	1.1
229.15521	1.5
230.15393	11.8
233.61293	1.2
235.13364	4.4
259.13364	2.0
267.15900	50.3
285.16959	66.1
292.18997	6.8
301.14362	2.9
309.16861	10.4
366.22748	8.7
375.18054	2.7
377.19696	2.1
378.57700	1.2
383.43884	1.3
476.81235	1.7
493.17538	2.8
528.28143	68.3
529.26971	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
54.82776	1.2
55.01866	5.0
55.05505	3.0
57.03435	13.6
61.02918	5.3
67.05521	1.2
67.30338	1.3
68.17068	1.3
68.99791	2.7
69.03428	77.9
70.06606	1.6
70.70574	2.6
71.05000	4.8
73.02920	7.9
75.04460	1.3
81.03410	24.6
81.07065	2.6
83.04971	9.5
85.02903	100.0
87.00826	44.6
87.01241	1.0
87.04472	12.5
91.05450	1.8
93.07056	1.5
95.04968	2.7
97.02890	74.5
99.04451	16.3
99.05014	2.4
103.03899	1.8
103.05446	1.6
105.01864	87.5
109.02879	31.5
109.03631	1.8
110.76733	1.2
111.04430	6.9
115.03930	30.3
115.64989	1.3
117.05508	2.1
119.08616	1.4
121.06519	1.5
123.04383	1.2
125.02348	2.1
127.03910	69.7
129.01823	2.6
129.05450	4.4
133.04993	12.6
135.04356	1.4
137.06009	2.1
139.03871	6.1
143.03374	1.5
145.04962	33.8
147.02867	3.0
150.07631	9.4
151.03943	2.4
157.04915	1.3
159.02870	6.1
177.05489	3.8
181.04962	2.0
183.02863	1.8
189.03928	4.1
201.03963	1.8
205.04955	3.7
213.03816	6.0
215.05513	2.4
223.05992	4.9
231.04990	33.4
241.06996	8.6
249.05997	16.3
273.06046	3.3
273.18063	1.3
301.09064	2.8
309.05917	3.0
327.07086	13.6
345.08148	21.4
363.09198	4.2
528.31073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01851	0.3
55.05494	0.3
56.96527	0.1
57.03435	0.7
61.02931	1.2
65.13385	0.1
67.05493	0.2
69.03436	1.9
69.07052	0.3
69.32328	0.5
70.06568	0.4
71.01336	0.3
71.04988	0.2
73.02927	1.6
81.03424	1.7
81.07034	0.2
85.02495	0.2
85.02911	2.1
87.00810	0.5
87.04447	0.2
91.03951	0.4
91.05455	0.6
92.05005	2.0
93.05769	0.3
94.06555	0.3
97.02351	0.1
97.02898	1.7
99.04440	0.5
101.02364	0.4
103.76110	0.1
105.01883	0.7
106.06543	0.8
109.02884	2.5
117.05749	0.8
117.45309	0.1
118.06550	7.3
119.07323	0.9
120.08131	1.0
127.03928	2.3
130.06494	0.6
131.07274	0.2
133.08812	0.2
134.09630	0.3
144.08087	0.4
145.04951	0.3
146.09605	0.5
160.11244	0.3
162.09149	9.1
163.09940	1.9
164.10641	0.4
169.04944	0.7
176.10667	0.7
187.06049	1.3
187.13399	0.1
190.12411	0.1
192.14992	0.2
202.15927	1.9
230.15408	17.9
231.05058	0.3
231.15779	0.5
247.08186	0.5
248.16406	0.5
249.05923	0.2
262.18106	0.2
274.18130	0.3
292.19077	8.8
304.19061	1.0
310.03781	0.2
322.20178	1.5
332.22208	0.4
341.05411	0.2
366.22772	12.5
367.23001	0.2
528.28070	100.0
529.28387	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86708	0.2
53.03941	0.5
55.05505	0.5
57.03433	0.7
61.02923	1.6
65.61899	0.2
67.01855	0.2
67.05500	0.4
69.03421	1.6
69.07069	0.2
70.06598	0.2
71.05009	0.4
71.45837	0.2
73.02909	1.3
79.05488	0.3
80.47842	0.2
81.03416	1.4
85.02911	2.6
87.00835	0.3
91.03959	0.5
91.05479	0.5
92.04995	2.1
93.05799	0.6
94.06584	0.3
97.02889	2.2
99.04461	0.5
101.02367	0.4
103.03931	0.2
105.01887	0.8
106.06579	0.6
109.02877	2.9
109.03565	0.3
117.05782	0.7
117.95911	0.2
118.06538	7.4
119.07331	0.6
120.08138	0.9
127.03907	1.9
130.06532	0.7
131.07277	0.3
134.09683	0.5
144.08022	0.2
145.05005	0.5
146.09607	0.2
160.11223	0.3
162.09134	8.7
163.09911	2.1
164.10698	0.6
169.04974	0.7
176.10735	0.6
181.24474	0.2
187.06055	0.8
202.15894	2.1
230.15378	17.4
231.05063	0.4
231.15785	0.6
247.08133	0.2
248.16621	0.5
249.08311	0.2
274.17969	0.4
283.18729	0.2
292.19046	8.3
304.19028	1.2
322.20172	1.6
332.21960	0.3
348.21573	0.3
366.22726	12.1
367.23190	0.4
442.11307	0.2
516.95862	0.2
528.28015	100.0
529.28369	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1341
Annotation	Justalakonin
Peak:m/z	Relative Intensity
53.03936	0.9
55.01864	0.7
57.03424	1.1
60.76431	0.3
61.02922	1.9
69.03427	4.6
70.06602	0.3
71.04980	0.4
71.89992	0.3
73.02928	0.7
79.05534	0.4
81.03405	1.8
85.02901	9.4
87.04466	0.7
91.03918	0.5
97.02879	3.9
109.02857	1.1
115.31922	0.3
127.03909	1.5
130.14188	0.3
130.52495	0.3
137.02362	0.7
145.04948	1.0
179.08574	0.7
189.06978	0.3
193.06548	0.5
205.06442	2.4
207.07986	0.5
220.05197	3.6
221.05951	0.6
222.06789	0.8
231.04373	0.5
233.05963	4.0
234.06741	0.5
235.07515	4.8
235.09631	0.5
237.09142	1.1
247.07585	0.7
248.04703	7.5
249.05295	0.8
250.06279	1.9
252.07919	0.5
253.08546	0.5
259.03793	0.4
261.05402	2.7
262.06027	0.5
263.07007	18.9
264.07394	0.8
265.08643	2.8
266.05624	1.0
275.06979	0.6
276.04071	1.9
277.04984	0.9
278.05765	2.6
279.06445	0.6
280.07343	1.3
281.08084	1.1
287.03226	0.4
289.04962	0.4
291.06485	22.2
292.06866	1.0
293.08005	5.3
295.09531	1.7
304.03705	0.8
305.08084	0.5
306.05154	1.5
307.05884	0.5
309.07526	1.9
319.05978	26.4
320.06442	0.7
321.07492	3.9
322.04648	0.4
323.09094	5.1
335.05695	0.4
337.07022	14.6
349.07037	20.2
350.07440	0.4
367.08093	100.0
368.08502	2.3
397.09180	2.0
492.96008	0.4
529.24780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2049
Annotation	6alpha-Acetoxy-5-epilimonin
Peak:m/z	Relative Intensity
50.77553	0.4
52.43300	0.5
59.66331	0.5
64.12627	0.5
67.05502	0.7
69.68743	0.5
70.57400	0.6
79.05495	1.2
81.07066	1.3
93.07034	0.8
95.04973	1.2
107.04958	1.4
121.06513	0.5
123.04433	1.1
127.70071	0.4
144.08044	0.5
151.07535	6.7
159.07961	0.5
161.05988	0.8
167.07059	7.6
181.08551	0.5
184.08936	0.7
188.08380	1.4
203.10739	1.1
205.04715	1.1
205.12338	0.6
206.05199	0.5
215.10709	1.2
227.06870	0.7
233.11728	2.9
269.17596	0.8
349.24075	0.6
409.16437	0.8
427.17401	1.3
469.12292	0.8
469.18439	9.1
470.18857	0.6
480.16095	0.5
529.20471	100.0
530.20837	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98631	0.3
55.01872	0.4
55.05526	0.9
57.03436	0.4
58.06604	0.7
61.02929	0.6
67.05511	1.9
69.07081	0.9
70.06596	5.8
71.85367	0.3
77.26685	0.3
79.05497	1.2
81.07061	1.9
85.02896	0.5
85.31149	0.3
85.81577	0.3
91.05484	1.1
93.07058	1.3
93.19186	0.4
95.08627	1.1
97.06543	0.6
98.98457	0.3
99.04447	0.4
104.99295	0.4
105.07051	1.0
107.04983	0.5
107.08592	0.6
109.02995	0.4
109.10187	1.1
117.07108	0.4
119.08615	0.5
120.08111	1.9
121.10146	0.8
123.04472	0.4
123.07983	0.4
131.08577	0.8
133.05505	0.3
133.06543	0.5
135.11661	0.5
137.09584	0.6
144.08015	0.5
145.10071	0.4
147.11795	0.4
149.13255	0.3
151.07613	0.5
154.12251	0.4
155.10689	0.5
163.11162	0.4
167.07053	5.5
172.13347	1.3
173.06024	0.4
187.07555	0.4
189.05305	1.1
195.01198	0.3
195.06323	0.5
195.09991	0.4
217.13380	0.7
229.14384	1.3
245.13068	0.4
269.17755	1.2
275.20129	0.9
294.43121	0.4
297.17755	0.6
349.23853	1.0
359.08002	0.4
367.24625	0.4
399.67130	0.4
414.06064	0.7
424.75046	0.4
427.17474	0.8
428.18372	0.5
444.25189	1.3
469.18765	3.3
511.27487	0.4
511.35193	0.7
514.18158	0.4
528.37329	0.4
529.20471	100.0
530.20752	4.3
553.51837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03425	1.0
58.65816	0.6
69.03426	1.4
69.07067	2.8
69.80119	0.7
69.80441	1.6
70.07379	0.9
71.05004	0.9
73.02913	1.6
81.03418	0.7
81.07068	1.3
85.02900	1.6
89.06011	2.7
91.05482	0.8
91.39458	0.6
93.07010	1.3
95.04923	0.8
97.02899	1.0
98.22711	0.8
105.07038	0.9
107.04999	1.2
107.92674	0.6
108.83973	0.6
109.06557	0.8
111.11716	3.2
112.12064	1.4
115.03900	1.3
115.05476	1.0
117.07054	2.6
119.08630	0.9
121.06497	2.5
122.07130	0.6
123.04408	0.8
128.06276	0.7
129.06998	1.2
129.12743	4.3
130.13115	1.9
131.04942	0.6
138.06764	1.8
138.15669	0.7
143.08578	1.2
145.06490	1.4
145.10158	0.8
146.06285	0.7
146.07243	4.2
147.08057	1.6
151.07571	5.9
153.05429	1.8
158.07315	1.3
159.04427	0.9
159.08086	0.7
161.06018	1.2
161.09636	0.7
162.06705	1.1
163.07494	0.9
171.08052	0.7
172.08765	1.4
173.06035	2.3
173.09576	0.7
174.06781	1.2
175.03804	1.0
175.11162	0.9
176.08403	0.7
177.01631	3.6
177.09111	20.5
178.09831	0.8
183.06532	1.1
185.05890	3.1
186.10422	1.1
187.11208	5.4
188.08328	1.9
189.09151	4.5
192.03926	34.2
193.04546	1.3
195.06380	1.1
199.16931	0.9
200.17416	0.8
201.05466	1.6
201.08919	1.6
202.09964	1.3
203.10707	5.9
205.08630	2.9
217.12201	7.2
217.18129	1.2
218.13000	2.6
218.18271	1.2
233.06303	0.9
259.09518	1.7
277.14474	0.7
278.15097	6.1
287.08945	1.3
287.12457	1.6
292.07291	0.7
299.12653	1.1
301.13852	0.8
305.07883	0.7
323.09082	0.9
337.06317	0.9
345.13058	3.2
347.11099	2.8
359.14621	24.2
360.15356	0.9
363.12244	1.3
366.06915	1.2
367.07272	2.9
378.14441	2.0
379.15289	1.7
423.14288	1.5
438.16437	5.4
439.17252	9.1
448.39322	0.8
468.17477	1.2
469.18344	3.9
483.10162	0.7
483.16144	4.1
497.17444	3.1
498.18607	46.6
499.19360	36.5
499.26828	1.1
500.19598	1.9
529.20428	100.0
530.20874	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2775
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
55.05506	2.3
56.96555	2.0
60.88542	1.9
62.33445	1.8
67.05510	4.9
69.07050	2.5
79.49396	1.8
81.07052	5.3
91.05453	3.1
93.07018	2.3
108.32337	1.9
109.10152	3.1
135.11655	2.3
158.47229	2.4
170.99034	3.3
177.00743	2.1
189.00070	4.5
193.12195	3.9
195.00351	2.5
203.51009	2.1
206.74504	2.7
227.01692	2.7
284.14291	2.1
290.18262	4.6
311.18887	2.2
322.21039	3.6
415.30060	2.1
450.03650	2.2
469.21848	8.4
510.98962	2.4
529.27539	100.0
530.28143	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	3.4
63.88453	1.6
67.05492	3.6
69.65437	7.7
79.05477	2.2
81.07042	4.1
88.07587	2.3
89.06017	3.9
90.05822	1.7
93.07047	2.7
95.08602	2.4
100.10116	2.0
102.14498	2.2
105.07051	2.3
105.76562	2.0
119.08592	2.0
133.08633	2.1
189.64079	2.2
195.00232	2.0
202.06332	1.8
227.01463	1.8
256.26318	1.9
272.83932	1.8
312.59952	2.1
444.80981	2.0
469.21960	2.5
529.27582	100.0
530.27405	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92105	0.6
53.03935	1.5
55.01868	1.8
55.05505	1.7
55.84798	0.6
57.03425	2.2
60.31813	0.5
65.03938	3.1
67.05507	5.2
69.03437	5.3
69.07061	1.2
70.06583	2.7
71.01352	3.9
71.04998	1.7
72.08143	1.8
75.95940	0.6
77.03920	0.7
79.05496	14.6
81.03419	8.2
81.07056	15.3
83.04964	2.1
83.08620	0.7
84.08154	1.1
85.02908	5.7
86.09702	5.1
91.05482	21.3
93.03407	1.1
93.07034	3.6
95.04408	1.0
95.04967	10.8
95.08599	1.2
97.02892	5.0
97.06535	2.5
99.04488	0.7
100.07632	1.1
103.05460	1.8
104.02785	0.6
105.04509	1.2
105.07030	1.8
106.75082	0.6
107.04974	5.3
107.08582	1.3
108.02079	1.7
109.02908	1.5
109.06503	8.4
109.10198	0.8
111.04440	3.0
118.08677	2.5
119.04936	12.4
119.08559	1.4
121.02864	12.4
121.06502	1.4
121.10168	0.7
123.04421	6.2
125.05994	2.3
127.03931	1.9
131.08612	0.7
133.02855	0.7
135.04439	2.7
135.11656	1.1
136.07608	0.9
137.05975	11.1
141.05482	2.3
143.08534	0.7
143.86209	0.6
145.02872	1.4
145.10141	1.7
147.04382	5.1
151.03911	100.0
151.04999	7.5
153.05450	1.7
159.11668	1.0
163.11224	0.9
165.05472	18.7
169.04938	1.3
177.05464	2.4
181.12227	0.8
183.06528	45.0
187.11195	0.9
193.12277	1.2
209.11726	3.0
239.98779	0.6
265.14563	0.7
283.15381	5.0
285.16888	1.4
298.08118	0.6
301.16583	2.2
315.08603	1.3
315.18106	1.0
333.09744	1.9
408.16116	0.6
463.89487	0.6
486.16269	1.6
530.17932	1.1
530.26105	3.3
557.07239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01865	3.9
55.05514	12.0
57.03434	11.0
57.07059	2.2
58.10738	1.3
61.02924	3.4
67.05499	23.4
69.03420	6.1
69.07056	8.9
70.06586	5.6
71.04989	7.9
72.08131	2.9
77.03928	1.4
79.05493	26.5
81.03412	8.7
81.07054	23.0
83.04974	10.9
83.08614	5.6
85.02898	9.3
85.06535	2.1
86.09718	2.7
91.03944	1.4
91.05481	17.5
93.07045	32.4
95.04410	1.5
95.04975	10.2
95.08591	12.1
97.02898	13.4
97.06562	7.5
97.10161	2.1
98.23431	3.3
99.04449	3.4
100.07610	2.4
103.03954	3.6
105.07026	11.8
107.04961	8.6
107.08590	19.1
109.02866	3.5
109.06498	4.5
109.10145	14.3
111.04440	19.0
111.08063	2.5
117.07011	4.4
118.08665	6.7
119.08572	10.2
121.06551	2.9
121.10136	25.7
123.04402	2.8
123.08051	4.8
123.11711	3.9
125.05989	4.7
125.09581	2.8
127.03904	3.4
129.06992	2.0
131.08553	11.3
131.22394	1.8
133.10126	8.0
135.08089	3.4
135.11685	13.0
136.07538	1.7
137.05989	2.0
137.09605	4.3
139.07501	1.7
139.11183	7.2
143.08517	2.0
145.10126	14.7
147.08008	4.0
147.11717	2.7
149.09583	13.0
151.07538	4.8
151.11134	2.4
155.08534	1.7
159.11700	2.5
163.11201	12.5
163.89165	1.3
165.09123	6.4
167.10657	4.5
169.10196	1.7
173.04498	2.9
173.09621	6.3
173.11707	1.7
177.12744	1.8
179.10640	1.9
181.12218	5.3
184.58725	1.5
191.10638	11.1
199.13301	1.5
203.12669	2.0
205.12306	1.6
209.11720	69.1
220.78091	1.6
227.12737	16.2
229.14330	7.1
241.14336	16.4
251.17645	1.6
255.15875	3.3
265.14316	7.6
269.18982	3.9
283.15390	100.0
284.15701	3.2
297.18372	2.4
301.16455	56.1
315.19354	6.5
333.20584	52.5
347.60721	1.3
409.18430	1.8
427.19489	2.5
463.21677	2.0
469.24933	1.5
530.28680	9.6
531.18823	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01865	3.9
55.05514	12.0
57.03434	11.0
57.07059	2.2
58.10738	1.3
61.02924	3.4
67.05499	23.4
69.03420	6.1
69.07056	8.9
70.06586	5.6
71.04989	7.9
72.08131	2.9
77.03928	1.4
79.05493	26.5
81.03412	8.7
81.07054	23.0
83.04974	10.9
83.08614	5.6
85.02898	9.3
85.06535	2.1
86.09718	2.7
91.03944	1.4
91.05481	17.5
93.07045	32.4
95.04410	1.5
95.04975	10.2
95.08591	12.1
97.02898	13.4
97.06562	7.5
97.10161	2.1
98.23431	3.3
99.04449	3.4
100.07610	2.4
103.03954	3.6
105.07026	11.8
107.04961	8.6
107.08590	19.1
109.02866	3.5
109.06498	4.5
109.10145	14.3
111.04440	19.0
111.08063	2.5
117.07011	4.4
118.08665	6.7
119.08572	10.2
121.06551	2.9
121.10136	25.7
123.04402	2.8
123.08051	4.8
123.11711	3.9
125.05989	4.7
125.09581	2.8
127.03904	3.4
129.06992	2.0
131.08553	11.3
131.22394	1.8
133.10126	8.0
135.08089	3.4
135.11685	13.0
136.07538	1.7
137.05989	2.0
137.09605	4.3
139.07501	1.7
139.11183	7.2
143.08517	2.0
145.10126	14.7
147.08008	4.0
147.11717	2.7
149.09583	13.0
151.07538	4.8
151.11134	2.4
155.08534	1.7
159.11700	2.5
163.11201	12.5
163.89165	1.3
165.09123	6.4
167.10657	4.5
169.10196	1.7
173.04498	2.9
173.09621	6.3
173.11707	1.7
177.12744	1.8
179.10640	1.9
181.12218	5.3
184.58725	1.5
191.10638	11.1
199.13301	1.5
203.12669	2.0
205.12306	1.6
209.11720	69.1
220.78091	1.6
227.12737	16.2
229.14330	7.1
241.14336	16.4
251.17645	1.6
255.15875	3.3
265.14316	7.6
269.18982	3.9
283.15390	100.0
284.15701	3.2
297.18372	2.4
301.16455	56.1
315.19354	6.5
333.20584	52.5
347.60721	1.3
409.18430	1.8
427.19489	2.5
463.21677	2.0
469.24933	1.5
530.28680	9.6
531.18823	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
55.05986	2.8
57.03432	4.0
58.06166	2.9
63.55423	2.8
67.05497	9.5
69.07067	6.3
73.63858	2.9
79.05476	8.6
81.07050	14.3
83.04964	18.8
85.02901	3.7
91.05471	9.4
92.27393	3.2
93.07040	11.2
95.08607	12.6
105.07029	8.8
107.08592	6.8
109.06511	7.3
109.10157	5.7
111.04409	7.5
111.08093	4.8
117.07050	4.9
119.08567	13.5
121.10125	4.6
131.08543	7.8
133.10126	10.0
135.08073	3.8
137.05949	6.2
143.08574	10.2
145.10161	7.1
147.11671	4.6
151.07648	3.8
155.08551	12.5
157.10135	5.8
159.11688	8.0
165.07062	3.6
169.10118	10.4
171.11681	6.9
173.09619	3.0
177.12828	3.1
186.04225	3.2
187.11212	5.8
191.08505	3.8
193.10168	7.4
194.10815	3.7
195.11690	5.8
197.09575	7.8
206.10898	3.7
207.11653	9.5
208.12190	4.1
209.09666	5.0
213.08928	4.0
215.10638	6.9
217.10187	3.6
219.11723	4.7
220.12625	3.6
221.13199	6.5
223.14771	4.6
245.13237	5.8
255.13860	3.6
259.14673	5.0
260.15726	3.1
261.16351	3.4
265.12299	3.6
267.13898	3.7
269.17441	8.2
271.14771	5.8
275.17825	4.0
299.17850	3.7
300.18774	3.8
301.15741	6.1
345.18542	3.5
399.23273	7.6
404.21249	8.0
413.24509	8.6
415.26294	14.4
417.24158	8.7
423.22986	6.7
431.26016	7.6
433.27353	14.6
441.24207	44.7
459.25287	100.0
459.96948	3.3
460.25714	3.7
477.26376	38.0
495.18982	3.4
495.27368	6.5
530.20447	49.7
555.19281	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	1.1
57.03435	2.4
61.02929	2.8
63.02367	0.6
69.03427	10.7
71.04992	1.0
73.02917	1.3
77.03939	0.5
81.03410	3.7
81.03812	0.6
81.07037	0.6
83.01355	0.6
85.02399	1.0
85.02901	15.9
85.28667	0.5
87.04471	1.7
91.03964	1.3
91.05484	2.3
95.01331	9.0
97.02890	8.9
99.04457	1.6
103.05458	4.8
105.07008	1.6
107.08643	0.4
109.02883	1.7
115.05449	28.1
115.90472	0.6
117.07015	52.5
118.07346	0.7
125.02347	18.5
127.03888	2.8
127.05421	1.1
128.05493	0.3
128.06212	17.0
129.06999	100.0
130.07301	1.5
131.04916	10.0
133.06519	2.8
135.04407	9.7
142.04175	0.6
143.04916	27.2
143.05954	1.3
145.05005	1.4
145.06480	23.2
147.04408	0.6
155.04890	4.0
155.06050	6.7
157.06482	37.3
159.04404	14.4
161.05980	8.8
163.03818	0.5
171.04376	33.2
171.05560	2.6
173.05974	25.7
174.06424	1.0
175.03906	0.8
175.07526	1.2
185.05974	11.9
187.03883	6.9
187.07507	1.5
188.04628	0.9
189.05443	3.3
199.03873	24.4
200.04607	0.6
201.05455	86.2
202.05788	1.2
203.03357	2.8
213.05371	0.6
217.04912	7.8
217.06827	0.6
219.06477	2.1
219.08418	0.6
229.04947	27.5
230.05302	0.6
231.06505	46.6
247.06000	66.7
248.06343	1.1
275.07077	0.7
334.41937	0.4
482.56796	0.5
499.38586	0.5
524.57159	0.5
526.53058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1988
Annotation	Phenazostatin B
Peak:m/z	Relative Intensity
56.96567	3.4
57.03423	1.1
64.32758	1.0
69.04548	22.1
69.04892	1.7
69.98620	3.2
70.85966	1.1
79.05503	1.3
81.84187	1.1
88.73733	1.1
89.77697	1.2
98.23382	1.6
98.97579	20.6
98.98173	1.8
99.01228	1.1
107.04955	2.0
107.10320	1.0
108.05750	1.1
116.98622	11.9
134.99684	5.8
151.07541	35.2
151.08745	2.1
160.99118	1.4
165.09177	1.5
179.00105	2.5
197.01308	4.2
203.10744	1.3
221.01172	1.4
235.02739	11.7
236.03532	6.9
239.02242	2.0
249.28488	1.1
253.03830	16.3
254.04681	6.5
351.25391	1.9
411.11246	2.0
426.13379	1.4
441.11862	9.8
456.14609	3.5
471.16901	41.6
471.23636	2.3
531.19513	100.0
532.20074	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2698
Annotation	Herbimycin B
Peak:m/z	Relative Intensity
55.05506	5.0
57.03428	1.9
57.07074	1.0
60.67564	0.6
65.03949	1.0
67.05502	14.8
69.07071	6.9
69.16599	2.6
69.17005	1.0
72.20458	0.6
79.05487	5.2
81.07057	15.8
83.08609	3.6
86.09678	0.9
91.05487	2.3
93.07049	4.8
95.04997	0.6
95.08607	9.9
97.06551	0.7
97.10178	1.5
105.07037	1.7
107.08586	3.1
109.10144	4.1
111.08068	1.2
114.11213	0.5
115.03706	1.4
119.08566	1.4
120.96629	0.8
121.10149	2.4
123.11663	1.6
128.16000	0.6
133.10120	2.0
135.11682	1.0
146.11809	0.8
149.13292	0.9
156.97470	0.9
174.98486	0.9
176.99232	19.3
195.00293	37.4
206.34900	0.6
213.00215	1.3
227.01813	0.6
269.03967	2.7
337.27359	9.4
377.26837	4.2
439.22141	8.1
457.22830	2.3
468.26172	0.7
513.25824	5.7
531.26886	100.0
532.26917	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.1
57.07085	1.6
64.11214	1.3
67.05525	2.9
69.07063	1.9
69.24501	5.8
70.06596	1.5
71.08641	1.5
79.05505	3.1
81.07069	4.9
84.40955	1.4
86.09720	2.6
89.96739	1.2
91.05473	1.8
93.07059	2.6
95.08617	3.3
98.23512	2.2
104.10674	1.3
109.10145	1.9
119.08572	1.3
127.12524	1.3
136.06195	8.8
137.06578	2.4
147.11769	1.3
170.99060	6.3
174.13802	1.3
174.98500	1.5
189.00087	9.6
209.00624	1.2
213.00122	2.4
227.01660	10.5
256.26385	3.9
257.26663	2.6
321.22748	3.0
323.37048	1.3
415.20654	2.9
439.20990	2.5
442.43063	1.5
457.22421	1.8
471.23660	14.7
489.24774	2.1
531.29309	100.0
532.29974	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01931	0.8
53.03929	1.1
55.01868	1.5
55.05494	0.7
57.03428	2.8
61.02908	2.2
69.03432	5.5
70.06578	3.2
70.29439	0.7
71.04993	1.8
71.45871	0.9
72.08150	1.7
72.38168	0.7
73.02920	0.8
81.03411	3.6
81.07020	1.1
84.81326	0.7
85.02898	27.3
86.09702	5.2
91.03941	0.7
91.05481	1.0
95.05044	0.9
97.02892	8.5
99.04467	1.3
103.05465	1.1
105.07035	1.1
109.02863	3.0
109.06532	1.0
117.03400	2.5
119.04945	1.2
127.03902	4.3
131.04906	2.1
133.10141	1.1
135.04387	1.8
135.08165	0.8
137.05978	2.6
145.02844	5.9
145.04930	3.4
146.03604	2.7
149.05971	1.3
159.04399	3.1
161.05984	6.4
163.03899	4.9
163.07518	1.4
165.08884	0.8
167.86035	0.8
174.03293	0.8
175.07610	1.4
177.05460	12.4
179.06961	1.1
187.03874	3.3
187.14423	0.8
189.05423	2.4
191.03397	4.8
191.07028	3.3
201.05452	2.2
202.02606	6.3
203.06995	3.4
209.04422	0.8
215.03368	3.5
217.04948	100.0
218.05356	1.7
219.06508	8.8
224.12975	0.7
229.04939	5.7
231.06400	1.2
232.07112	1.0
233.04457	2.4
243.06412	1.9
245.04437	11.5
247.05978	9.0
264.09286	0.8
273.07663	1.2
275.05481	10.8
293.06552	26.9
305.06540	21.3
317.06561	2.0
335.07599	9.9
353.08652	21.5
532.15997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01867	1.2
57.03429	1.1
61.02919	2.6
66.27994	0.5
69.03114	0.5
69.03435	5.3
69.70155	1.3
70.06589	0.7
71.04977	0.9
73.02914	0.7
81.03433	2.4
83.01311	0.7
85.02903	20.5
86.09703	1.2
91.03967	1.4
96.69624	0.5
97.02893	7.1
99.04441	1.3
103.05468	1.2
109.02869	2.1
117.03376	1.5
127.03904	3.8
131.04951	2.0
135.04436	1.4
137.05960	2.4
143.04903	0.7
145.02873	4.5
145.04932	4.2
146.03595	2.0
147.04268	0.5
159.04376	3.0
161.05948	4.9
163.03899	4.6
165.05392	0.5
174.03111	0.8
175.07512	1.6
177.05470	10.6
187.03876	3.1
189.05479	2.0
191.03394	4.0
191.06999	3.0
201.05431	1.7
202.02617	3.4
203.07069	2.5
209.04323	0.5
212.04562	0.5
215.03423	2.9
217.04955	100.0
218.05246	1.4
219.06503	6.7
224.70422	0.5
227.07054	1.2
228.04129	0.8
229.04951	6.0
231.06544	1.4
232.07091	0.6
233.04390	1.8
235.06082	0.6
243.06587	2.4
245.04459	11.5
245.07048	0.8
245.08047	0.6
247.06000	10.1
255.06596	0.7
271.05829	0.8
273.07413	1.1
275.02689	1.0
275.05487	10.7
289.07047	0.7
293.06543	26.4
294.07074	0.6
305.06552	22.0
317.06580	1.6
335.07602	9.6
353.08640	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01864	0.4
57.03432	0.6
61.02907	0.6
69.03426	1.2
69.68255	1.1
77.67356	0.3
81.03423	0.4
85.02902	3.6
85.06535	0.5
97.02874	1.2
98.22686	0.4
109.02892	0.3
127.03913	0.7
136.77426	0.3
143.08516	0.3
145.04953	0.3
146.58748	0.3
205.06479	0.4
208.08920	0.3
218.07166	0.4
219.08090	1.4
220.08791	0.3
221.05910	0.4
232.05222	0.5
233.06053	0.4
234.06900	0.6
235.07584	2.1
236.08295	0.9
237.09129	0.5
239.10721	0.4
245.06050	0.5
246.06750	1.1
247.07558	1.2
248.08394	2.9
249.05585	0.5
249.08987	0.6
250.06244	0.7
251.06976	0.5
251.10687	2.1
260.08304	0.7
263.07068	2.2
263.10474	0.5
264.07846	3.3
265.08606	1.3
275.07022	20.6
276.07773	2.2
277.05487	0.5
277.08621	2.1
278.05627	0.5
278.09143	0.6
279.06934	0.3
279.10138	6.5
285.83301	0.3
291.06577	0.8
291.10181	1.5
292.07263	2.7
293.08099	2.6
303.06415	1.8
307.09634	15.7
309.11197	8.8
321.07648	0.7
335.09140	26.0
336.09723	0.5
343.85092	0.3
353.10196	100.0
354.10632	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01874	1.3
55.05518	7.0
55.89083	1.0
56.01835	1.0
57.07083	1.8
58.31628	1.0
61.02925	1.3
67.05504	12.5
69.03436	6.8
69.07060	3.0
71.04995	1.5
74.61678	1.1
74.63572	1.1
75.61108	1.1
79.05502	13.0
81.03413	5.8
81.07060	67.6
83.08625	2.6
85.02911	13.9
87.00836	6.2
91.05482	12.6
93.07047	19.4
95.04980	3.7
95.08606	29.9
97.02884	6.7
97.10175	2.0
98.23032	1.3
99.04479	1.9
105.01865	16.6
105.07035	44.0
107.08604	26.2
109.02888	3.3
109.06469	1.8
109.10157	13.3
113.05990	1.9
117.07006	1.6
119.05003	1.0
119.08585	63.9
121.10131	14.0
123.08096	2.7
123.11709	26.7
123.12527	2.1
125.09623	1.2
127.03919	10.7
127.07543	2.6
131.08556	2.5
133.10135	30.1
135.08057	1.4
135.11702	12.5
137.09579	2.2
139.12830	1.1
143.08542	2.0
145.04948	7.1
145.10158	3.7
147.08063	1.8
147.11707	13.2
157.10098	2.9
159.02914	1.5
159.11722	11.9
161.09698	2.5
161.13260	59.4
168.33369	1.1
179.10651	2.3
189.16386	100.0
199.14825	4.2
215.14313	1.3
217.15907	14.3
231.04950	5.6
249.06100	4.7
249.18530	26.0
266.21219	1.8
284.09753	1.6
290.04874	1.3
325.17905	1.2
335.25937	2.0
339.19482	1.8
447.19412	1.5
549.58588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1296
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
67.01846	0.1
67.05480	0.1
68.99782	0.1
69.03427	0.1
69.91508	0.1
69.91821	0.1
70.15905	0.0
78.04729	0.1
79.05489	0.1
80.64937	0.1
81.03394	0.1
81.07052	0.1
85.02905	0.1
93.07001	0.1
96.47023	0.1
97.02854	0.1
105.06992	0.1
109.02847	0.1
119.08601	0.1
121.10140	0.1
127.03902	0.1
133.05536	0.1
133.06496	1.1
135.04391	0.3
137.05972	0.1
151.03848	0.1
153.01819	1.3
159.04472	0.3
171.02847	0.2
177.05524	0.1
239.07199	0.1
242.05748	12.8
243.06181	0.3
257.08215	0.1
270.05240	11.5
271.05664	0.2
285.07571	100.0
286.07919	2.0
447.12891	1.7
489.13934	0.2
515.11884	0.2
533.12921	3.0
533.22955	0.1
534.13116	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49316	0.3
57.03433	0.5
57.72004	0.3
58.65927	0.3
67.05496	0.7
67.68642	0.4
69.03424	0.3
69.07076	0.5
73.02914	0.6
73.04227	0.3
80.13975	0.3
84.04498	1.5
85.02912	2.9
86.06093	0.6
88.77193	0.3
93.07056	0.4
95.08604	0.4
97.06541	0.6
98.50634	0.3
102.05540	0.8
107.07336	0.5
109.02905	0.3
113.02336	0.4
118.06549	0.8
119.82144	0.3
130.05002	6.5
130.06519	0.5
131.07312	0.4
132.08092	1.0
133.10033	0.4
144.08173	0.5
146.09692	0.8
217.31450	0.4
256.16949	0.5
313.16287	2.3
317.08536	0.7
324.26859	0.8
335.09540	2.7
340.26431	1.0
368.25900	5.7
368.30136	0.7
386.26886	10.5
401.21497	1.0
404.28000	8.4
445.20441	30.8
446.20853	0.8
515.30542	0.7
516.29657	1.4
516.64746	0.4
533.25610	100.0
533.32489	16.0
534.25983	3.4
534.32697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47164	1.1
55.05506	8.8
57.03435	1.3
57.07072	3.5
58.41729	0.9
64.15036	1.0
67.05489	5.3
67.84587	1.1
69.07063	8.9
69.54346	0.9
70.06566	0.9
71.08620	1.1
71.47495	1.3
79.05486	2.3
81.07051	5.3
83.08602	6.2
91.05473	1.1
93.07031	4.3
95.08607	5.8
97.10169	3.6
104.10762	2.3
107.08628	2.2
109.10134	2.8
111.08063	1.0
115.03711	1.9
121.10154	2.8
135.11678	1.7
176.99214	19.9
177.05443	1.2
195.00285	39.6
238.45468	1.0
269.04062	2.6
339.28891	10.1
379.28281	3.6
441.18585	1.2
441.23779	6.3
474.30127	1.3
515.27515	5.0
532.38690	1.7
533.28436	100.0
534.28992	2.8
535.86377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
57.05806	0.3
58.06335	0.3
58.06600	3.6
59.04980	0.3
59.81815	0.2
67.05489	0.6
67.30965	0.2
69.03435	0.3
69.07066	9.1
69.63517	0.6
69.63856	0.3
70.06587	2.2
71.04994	0.4
71.07020	0.3
71.07370	2.7
72.08149	1.3
74.02446	1.2
79.05517	0.2
81.07056	0.2
83.98812	0.2
84.08139	1.1
85.02911	0.5
85.08926	0.3
86.09702	15.0
91.05460	0.5
93.07034	0.4
95.04928	0.3
95.08593	0.3
97.06522	0.3
100.11251	100.0
101.11595	0.8
105.07040	0.4
107.08597	0.2
112.07572	0.4
114.12799	4.9
119.04935	0.3
119.08559	0.3
121.06442	0.3
121.10185	0.2
123.04506	0.2
130.08658	0.6
131.08580	0.3
136.07587	1.6
137.05960	0.7
145.10089	0.3
146.06046	0.4
147.04440	0.4
148.07562	0.2
160.07576	0.3
161.09651	0.2
165.05499	0.6
165.12801	0.2
168.17490	1.0
173.09605	0.2
177.09122	0.3
180.13948	0.2
182.08131	0.3
187.11217	0.3
189.09129	0.8
190.12265	0.3
192.06621	0.8
197.57762	0.2
202.12288	1.8
208.13461	0.3
209.15329	0.3
219.10127	0.3
219.14961	0.3
225.16087	0.4
230.11749	0.3
231.10150	1.1
239.17506	0.4
248.12782	2.2
253.15472	0.5
265.15558	0.6
275.13995	0.8
276.12015	0.2
277.15283	0.2
293.15005	0.5
295.16406	0.5
297.07602	0.3
321.14462	1.3
343.20361	0.3
361.21222	0.8
371.15158	0.4
388.22324	0.3
389.20648	0.9
406.23065	1.0
416.21771	0.4
434.22855	38.7
435.22882	1.4
501.19339	0.3
502.29156	7.3
505.33640	0.9
533.21033	1.2
533.33527	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3335
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
53.20979	0.1
55.16029	0.1
56.05003	0.1
56.96542	0.1
58.06597	4.3
66.85825	0.1
67.62254	0.1
69.07063	2.6
69.85587	0.2
70.06584	1.5
71.07359	0.3
72.08152	0.8
84.08135	1.6
85.02915	0.1
85.08918	5.0
86.01748	0.1
86.09698	1.0
97.17738	0.1
99.10462	0.2
99.60182	0.1
102.64989	0.1
109.07631	0.1
114.12798	100.0
114.30445	0.1
115.12462	0.1
115.13140	0.8
117.76377	0.1
127.08683	0.3
239.17589	0.1
289.14029	0.1
352.25977	0.2
367.01010	0.1
488.27591	0.2
501.28122	0.3
533.33307	5.1
534.33521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39888	1.1
53.03947	1.4
53.40183	0.9
55.01870	4.1
55.05505	2.8
55.63887	1.0
56.55922	1.1
57.03441	1.5
67.05499	2.6
69.03427	5.1
69.07068	4.9
69.24709	5.4
71.04986	2.6
77.03925	1.8
79.05489	12.9
81.03402	2.2
81.07050	4.1
81.12774	1.2
83.04991	3.3
85.02902	4.2
89.74283	1.0
89.99196	1.2
91.05485	9.3
91.50452	1.3
93.07037	9.0
95.01294	1.2
95.04981	6.1
95.08630	2.5
97.02893	3.2
97.06541	11.3
99.04479	5.3
100.11262	3.6
103.05440	2.0
105.07025	40.6
107.04949	9.3
107.08604	5.8
109.02879	2.1
109.06519	3.9
110.93762	1.1
115.05451	1.4
117.07037	5.5
119.08599	2.8
121.05621	1.7
121.06501	29.5
121.10168	1.7
123.08020	1.4
125.05978	7.8
127.03957	1.8
129.07010	3.7
130.07758	3.6
131.04922	1.2
131.08569	10.0
133.06483	26.8
133.07507	1.5
133.10126	2.2
134.08142	4.0
135.04391	2.0
135.08076	2.0
141.06950	1.8
143.07028	8.0
143.08559	4.1
144.09364	2.5
145.06476	10.3
145.08974	2.5
145.10120	48.8
147.08017	3.5
151.07507	1.2
154.07741	2.2
155.08539	8.0
158.07294	14.4
159.08049	11.9
159.11693	15.7
161.09599	2.6
163.11188	3.3
169.10127	7.2
171.08090	2.5
171.11810	1.1
172.08760	5.4
173.09616	100.0
174.09982	1.6
179.08516	2.0
182.07286	3.0
187.11171	40.4
189.12819	1.6
191.10594	1.9
197.09596	8.7
198.11340	2.8
201.73361	1.3
205.12221	16.2
210.14896	1.3
215.10657	78.1
216.11012	2.3
233.11719	86.0
234.11913	1.6
251.12834	4.3
264.07889	2.2
307.09601	3.6
319.11847	2.9
327.20416	1.7
333.13406	1.7
337.12793	25.5
339.12146	1.4
355.13800	21.7
499.18158	2.7
515.22400	1.6
534.25342	4.3
534.43591	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.6
52.39556	1.3
53.03942	2.1
55.01867	1.6
55.05510	4.0
58.06577	1.4
59.80322	1.4
67.05506	5.1
69.03429	20.9
69.07065	5.2
70.06588	2.8
71.04989	2.9
72.78114	1.4
79.05511	10.0
81.03415	5.1
81.07050	8.2
83.04977	3.9
85.02892	8.1
86.09715	3.4
89.65278	1.3
91.05479	8.2
93.07050	9.1
95.04964	4.2
95.08606	5.4
97.02897	5.1
97.06526	7.5
99.04465	5.5
100.11257	14.6
101.11633	1.6
103.05450	1.4
104.74406	1.4
105.01859	2.3
105.04545	1.7
105.07029	64.1
107.04960	3.7
107.08581	8.7
109.02860	3.3
109.06519	3.0
109.10178	2.3
117.07053	8.6
119.04905	1.5
119.08597	10.7
121.06525	6.8
121.10155	4.7
123.04443	1.7
123.08102	2.2
125.06010	5.0
127.03918	5.1
128.06181	3.1
129.06981	2.9
130.07794	5.6
131.08582	12.4
133.06497	13.0
133.10129	10.2
135.04417	1.8
135.11700	2.0
136.07596	1.3
136.64409	1.3
139.26108	1.6
141.06978	2.9
143.07042	3.6
143.08559	4.4
144.09338	3.6
145.05086	1.9
145.06480	3.9
145.10132	95.2
147.04424	1.6
147.08110	1.9
147.11731	5.1
149.05925	1.8
149.13297	3.3
151.07533	4.0
154.07762	3.2
155.08560	5.5
157.10115	2.2
158.07256	8.3
159.08066	5.6
159.11702	35.5
161.09639	10.8
161.13239	1.8
163.07603	1.6
163.11192	3.3
169.10161	4.4
171.11674	3.2
172.08812	3.8
173.09627	58.0
173.13155	2.0
177.12814	1.6
182.07333	2.0
187.11203	34.9
187.14838	1.7
189.12758	6.0
191.10742	1.4
197.09630	6.9
205.12251	94.3
215.10680	100.0
216.10976	2.5
233.11720	53.5
233.15291	2.6
251.12802	3.6
251.16367	2.3
259.09766	1.5
309.13434	3.4
319.05981	1.7
319.11758	5.8
319.15097	1.8
337.12802	17.2
355.13864	7.9
434.22559	1.6
499.18039	2.4
534.18311	2.2
534.26050	1.9
535.12195	2.7
545.06329	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.86061	2.0
55.01867	6.7
55.05096	2.3
55.05502	7.1
57.03426	6.3
60.60493	2.1
60.86973	2.5
61.02922	2.9
65.03925	2.9
67.05493	16.2
68.96053	2.6
69.03426	17.4
69.07053	9.2
70.06600	3.1
71.04988	12.8
73.02904	4.4
76.02228	5.3
77.03899	3.8
79.05488	20.9
81.03415	18.5
81.07053	34.2
83.04964	5.1
85.02902	40.9
85.06514	3.9
87.00834	17.1
91.05467	25.4
93.07028	38.2
95.04953	13.8
95.08611	39.3
97.02901	21.7
97.06511	15.4
99.04447	21.7
103.05425	3.9
105.01868	20.3
105.07029	61.9
107.04953	6.7
107.08596	29.6
109.02897	14.9
109.06519	7.3
109.10135	5.1
111.08070	5.7
117.07024	15.6
119.04956	4.4
119.08569	68.4
120.08083	2.9
120.51558	2.3
121.06503	30.8
121.10114	11.0
123.08061	3.4
123.11713	8.3
125.05981	8.0
127.03909	27.7
127.07585	2.9
128.06189	3.4
129.01779	2.9
130.07790	4.0
131.08542	19.9
133.06511	23.2
133.10130	26.4
134.08134	3.4
134.10933	5.8
135.08037	5.6
135.11678	6.1
137.05991	4.9
139.07591	4.0
143.07033	7.0
143.08563	3.3
144.09317	5.1
145.03957	2.7
145.04962	13.1
145.06458	12.2
145.10115	70.9
147.04417	3.7
147.11662	10.3
149.09613	3.8
151.11128	7.9
154.07724	2.7
155.08543	6.7
157.10049	3.7
158.07207	18.3
158.10815	2.5
159.02914	5.5
159.08044	15.6
159.11693	37.3
161.09599	5.8
161.13252	7.2
162.02130	3.9
163.11313	2.5
169.10059	6.5
171.08049	5.2
171.11633	2.9
172.08812	5.6
173.09608	100.0
173.13275	7.7
175.07411	2.5
175.11189	3.7
177.09128	4.2
177.12743	9.7
179.04840	7.1
179.07066	3.9
179.08553	5.3
187.11166	41.4
187.14767	16.4
191.10640	3.7
191.14307	3.4
197.09616	8.4
198.11322	2.6
201.16429	2.7
205.12201	17.7
205.15869	8.1
215.10677	66.6
215.14177	22.9
216.10867	3.1
219.08102	3.0
231.05002	7.7
231.92088	3.0
233.11725	67.1
233.15303	44.0
249.05826	4.8
251.12889	3.6
251.16495	7.6
264.07742	3.8
307.09598	9.6
319.11884	3.6
337.12888	15.0
355.13757	15.0
371.14554	3.0
372.15240	4.5
447.65933	2.4
463.18466	2.7
499.18259	13.9
535.24884	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01862	6.3
55.05491	6.2
57.03433	5.5
57.07067	12.4
59.73571	2.5
61.02927	5.6
65.03939	3.7
67.05503	20.0
69.03421	32.0
69.07067	12.6
69.33281	14.2
71.04993	7.9
72.08155	4.8
73.02911	3.9
73.34402	2.6
77.03918	5.2
77.19358	2.5
79.05488	33.2
81.03403	17.2
81.07056	90.7
85.02405	4.5
85.02903	70.7
87.00828	29.9
91.05485	34.1
93.07041	80.3
95.04970	16.5
95.08602	69.2
97.02898	38.8
97.06522	12.6
99.04455	17.7
105.01865	69.3
105.07027	82.4
107.04949	7.4
107.08599	39.1
109.02863	20.8
109.06501	8.3
109.10149	9.3
111.08076	11.4
113.02329	4.1
113.06005	4.6
117.06995	14.1
119.08571	34.1
120.08007	3.2
121.06506	33.0
121.10140	99.2
123.08069	5.2
123.11703	21.1
125.05981	11.0
127.03912	57.3
129.07001	5.9
130.07770	7.6
131.08551	36.5
133.06453	20.6
133.10146	18.7
135.04448	3.5
135.08078	11.1
137.05995	3.9
137.13245	58.9
139.07518	6.1
141.06996	4.7
143.07024	11.7
143.08568	6.8
144.09349	7.7
145.04958	37.5
145.06415	6.0
145.10130	83.0
147.11629	13.9
149.09683	3.9
151.07556	5.5
155.08524	8.7
157.10107	16.8
158.07230	16.0
159.02878	9.5
159.08076	14.6
159.11684	59.0
161.09633	8.6
161.13229	4.6
163.11235	5.2
165.09134	4.3
169.10097	7.8
172.08887	4.7
173.09618	100.0
177.09085	9.4
187.11180	45.1
187.14807	42.6
189.03958	5.4
191.10657	8.9
197.09586	10.0
197.13257	6.3
205.12268	27.6
205.15865	4.3
211.11322	3.0
213.04063	3.6
215.10687	59.1
215.14244	25.2
231.04999	25.5
233.11765	62.4
233.15329	73.3
249.06065	24.2
251.12804	10.4
251.16510	4.7
268.19016	3.6
284.09756	4.4
319.11661	3.4
337.12784	12.7
355.13882	4.6
463.19418	4.8
499.18292	13.7
523.56757	3.0
524.21191	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55654	12.8
64.68075	14.4
66.77564	14.6
69.14205	95.9
98.23445	24.7
113.00061	15.8
132.46065	13.8
135.04413	74.0
175.60005	13.2
181.08630	61.4
201.52446	15.2
201.73547	13.1
280.32214	13.6
303.51059	14.1
347.25900	22.5
348.26123	56.6
366.27136	36.2
369.16943	100.0
380.41718	16.3
422.29648	44.0
440.30814	20.8
534.28802	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00908	1.3
53.03946	2.9
55.05512	22.8
57.03448	7.0
57.07080	11.0
57.13188	1.2
60.08155	2.9
61.02919	7.9
65.03937	1.7
65.19717	1.1
66.73345	1.1
67.05508	85.7
69.03422	1.8
69.07068	31.2
69.21100	3.7
69.21515	3.2
71.05004	3.1
71.08636	5.9
73.02931	1.7
79.05502	25.1
81.03416	1.6
81.07059	100.0
82.07419	1.3
83.04975	3.4
83.08623	23.4
85.02924	6.7
85.06550	3.1
85.10204	2.5
86.09711	6.5
91.03947	1.4
91.05481	19.3
93.07048	29.8
95.04982	2.7
95.08611	82.8
97.02896	3.6
97.06546	6.6
97.10168	15.7
98.23067	5.9
99.08100	5.1
101.70380	1.2
104.10745	26.6
105.07037	13.4
107.08593	19.4
109.10161	46.5
109.10885	2.6
111.08092	6.9
111.11742	5.2
113.09655	2.5
113.44229	1.2
117.07016	1.7
119.08592	13.4
121.10151	24.1
123.11710	21.9
125.09677	2.1
127.11184	2.4
130.66750	1.2
131.08592	1.6
133.10139	15.7
135.11710	11.6
137.09608	1.9
137.13251	10.8
141.12755	3.3
147.11673	11.9
149.13245	12.4
151.14847	7.0
153.12796	2.9
155.14336	4.7
161.13280	16.3
163.14821	12.0
165.12773	3.0
165.16403	9.8
167.14340	1.5
175.14824	10.7
177.16478	1.6
179.17960	10.2
181.15929	1.7
182.33951	1.1
184.07358	2.4
189.16394	5.1
193.15988	2.1
203.18010	1.5
217.19505	2.6
245.07764	1.3
245.20116	2.8
245.22662	66.7
263.23715	95.0
264.23953	3.0
265.25278	1.6
287.44321	1.3
293.03012	1.3
337.27383	72.8
338.27719	1.5
355.28314	6.8
475.22058	5.8
499.32510	2.4
534.29266	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.3
57.07076	9.1
61.02944	3.1
62.21223	3.1
67.05155	5.1
67.05508	66.7
69.07079	25.9
69.89809	9.3
71.08619	6.5
73.41383	3.1
79.05503	24.4
81.07061	91.0
83.08627	19.1
85.06544	3.8
86.09724	3.7
91.03949	3.6
91.05505	21.4
93.07042	29.0
95.08608	77.6
97.06540	9.1
97.10175	13.4
99.08047	3.8
105.07026	9.4
107.08611	18.4
109.10169	32.3
111.08108	4.1
113.00008	4.3
119.08597	15.1
121.10159	20.5
123.11694	19.8
133.10135	18.0
135.11707	14.7
137.13274	6.2
141.12776	5.0
147.11691	11.2
149.13272	8.5
151.11244	4.4
151.14844	4.3
153.34766	3.2
155.14351	5.4
159.11754	4.1
161.13225	16.6
163.14836	7.0
165.16461	9.1
175.14836	9.6
179.18031	6.9
189.16432	8.4
235.01361	2.8
245.22655	64.2
263.23706	100.0
337.27383	48.6
371.70169	3.7
435.86771	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31694	3.4
53.03969	3.5
55.01885	3.2
55.05507	16.1
57.03431	4.4
64.25132	3.8
67.05505	37.4
69.07062	14.3
69.16930	15.7
69.17336	7.9
79.05489	37.9
81.07052	53.1
83.05012	5.2
83.08620	13.8
84.82053	3.3
85.06541	4.9
91.05481	32.7
93.07050	48.3
95.04983	10.2
95.08580	21.9
97.06504	8.7
103.05444	3.8
105.07032	37.1
107.04942	9.7
107.08600	18.4
109.06508	17.9
109.10152	10.3
117.07020	10.5
119.08614	19.8
121.06519	5.4
121.10168	15.8
123.08080	8.4
123.11692	5.6
129.07019	10.6
131.08556	9.8
133.10144	11.9
135.08151	4.3
135.11722	4.1
137.09619	5.0
143.08548	6.2
145.10126	10.6
147.11684	28.8
149.09615	3.5
151.11276	4.0
159.11707	7.3
161.13261	7.2
163.11269	3.7
165.12775	7.2
171.11688	25.4
173.13246	4.0
176.99286	4.0
185.52635	3.6
189.12737	20.2
207.13850	26.4
215.36339	3.7
225.14764	6.3
239.18019	4.2
257.19055	5.6
275.20062	100.0
275.22949	7.7
293.21115	41.0
313.92636	3.4
330.70392	3.4
337.79767	3.8
340.29175	4.8
534.28015	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
52.39023	0.1
55.05492	0.4
67.01848	0.6
67.05501	0.2
68.99789	0.3
69.03413	0.2
69.07058	0.3
69.79719	0.5
70.06569	0.2
76.63825	0.1
79.05502	0.3
81.03403	0.3
81.07046	0.2
83.04974	0.2
85.02879	0.4
86.09688	0.2
89.03893	0.2
91.05439	0.3
93.07025	0.2
95.08590	0.2
97.02882	0.2
100.11246	0.6
101.06037	0.3
105.07017	0.2
107.08574	0.4
109.02843	0.2
109.06495	0.2
111.04417	0.2
117.03408	0.3
119.04903	0.2
121.10085	0.2
127.03900	0.4
129.07028	0.1
131.04884	0.1
131.08615	0.2
133.10091	0.2
134.08156	0.2
135.04391	1.4
137.02335	0.6
137.05965	0.6
145.02806	0.4
145.10106	0.2
147.04422	0.2
147.11696	0.2
151.03879	0.1
153.00630	0.3
153.01810	3.9
161.02339	0.6
162.86601	0.1
167.07054	0.4
171.02882	0.3
177.05458	0.6
179.03316	0.2
179.06883	0.2
185.05824	0.2
187.07550	0.2
189.05405	0.2
191.10667	0.2
203.58116	0.1
209.11560	0.2
209.15530	0.1
219.06464	0.2
227.12839	0.2
237.27118	0.1
241.04991	0.5
245.04741	0.2
269.04398	0.3
269.50269	0.1
287.05466	100.0
288.05768	1.9
435.23224	0.2
449.10623	1.6
517.09747	0.2
535.10645	3.7
535.21509	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.4
58.24110	0.3
59.19782	0.3
68.86398	0.3
69.03423	0.7
69.07052	0.7
69.23080	2.2
70.06593	0.6
71.60924	0.3
73.04755	0.4
73.25867	0.4
81.03453	0.5
81.04513	0.4
83.05003	0.4
85.02905	0.6
86.09727	0.6
91.05488	0.5
93.07033	0.4
95.04955	0.4
98.97617	0.3
107.08532	0.4
107.69025	0.4
109.37141	0.4
114.12806	7.5
115.13137	2.9
119.08571	0.4
121.06538	0.6
133.10081	0.5
137.05992	2.0
143.08057	0.4
145.02838	0.4
149.05994	0.5
151.03896	1.6
151.07503	0.6
161.13359	0.4
163.07317	0.4
176.55206	0.4
179.06975	0.8
181.08533	0.9
185.04187	1.6
199.96194	0.3
201.03734	0.9
209.08211	0.6
241.19135	0.7
249.07664	0.4
275.07291	0.5
295.15628	0.5
299.06210	0.6
331.10132	1.8
337.06830	0.4
341.15607	1.7
355.22375	0.4
373.14453	0.9
415.19443	0.4
431.18939	1.1
445.11615	0.5
445.20343	2.1
457.20468	2.6
461.20126	3.1
475.21609	6.4
485.20279	0.5
499.12296	0.5
503.21005	23.9
504.21463	0.6
517.22400	0.8
535.23627	100.0
536.24139	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2668
Annotation	Antimycin A8a
Peak:m/z	Relative Intensity
55.05506	0.7
67.05482	0.7
71.46377	0.7
73.04753	0.8
81.03369	0.7
81.07019	0.6
85.02898	0.7
87.36965	0.6
93.07063	0.7
93.32208	0.5
95.08610	1.1
119.08556	0.8
137.05898	0.8
150.08684	0.5
269.22781	0.7
297.56735	0.6
299.06219	2.3
338.62949	0.6
341.02313	0.5
383.18237	4.2
403.08090	0.7
446.48450	0.6
455.25150	0.8
473.26587	1.5
491.27390	0.7
499.24362	1.2
517.25830	5.5
535.26642	100.0
536.26904	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2878
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
59.73422	0.7
67.05498	0.9
73.74732	0.7
77.74772	0.8
91.05812	1.2
95.04982	0.8
132.19655	0.7
167.05569	2.0
180.92889	0.8
185.04248	0.8
232.10353	0.7
284.48386	0.8
299.06174	4.5
406.60620	0.8
407.13739	0.8
418.20581	1.1
512.11517	0.8
535.28705	100.0
536.28790	4.4
549.83636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01111	1.1
57.04125	1.3
62.06084	3.5
71.46834	1.1
91.05473	2.6
107.04945	3.8
108.05738	2.5
115.86365	1.3
121.06573	3.1
123.08054	1.3
133.06497	1.7
134.27567	1.3
134.72676	1.2
134.73817	1.4
135.04419	2.2
136.05206	7.0
137.05925	1.6
138.06648	1.2
148.05200	9.8
149.05573	2.0
151.07536	70.9
152.07872	2.3
159.35876	1.2
161.05997	2.2
163.07501	3.3
165.05487	2.2
165.09131	8.3
166.06252	15.6
167.06871	4.6
171.08092	2.1
172.08781	1.9
173.09679	1.5
174.06757	2.2
175.07510	1.6
176.08263	2.8
177.09067	7.9
179.10597	1.6
180.07808	2.6
181.08589	100.0
182.07405	2.6
182.08940	28.6
187.07515	2.6
188.08289	4.1
189.09116	5.6
190.09846	1.8
191.10643	4.3
193.08575	2.0
194.09048	2.6
195.10173	7.2
196.10432	2.8
201.09113	4.9
202.09880	7.2
203.07054	1.3
203.10591	10.2
204.07536	1.4
207.10176	4.1
208.10472	1.4
216.11485	5.5
217.08604	1.5
217.12154	7.9
218.08940	2.1
219.10014	1.8
221.11659	1.4
231.10036	1.7
232.10646	1.4
233.11731	9.4
234.12080	4.3
247.13295	15.1
248.13657	4.0
299.06247	4.3
308.66095	1.2
339.16190	1.4
353.17596	2.5
354.18344	2.8
370.17810	14.2
384.18924	3.2
385.20074	72.7
386.20410	4.3
401.19214	6.2
403.21161	3.9
415.21042	1.5
416.21487	11.6
434.22385	1.6
505.24216	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99483	0.4
73.04746	1.2
75.87555	0.3
79.05484	1.1
86.09687	0.5
91.05473	2.2
93.07024	1.2
95.04974	0.5
103.05456	0.5
104.10748	1.2
105.07033	1.0
106.28049	0.4
107.04961	4.4
108.05739	2.3
109.06512	1.1
115.05466	0.6
119.05987	0.4
121.06487	1.5
123.08115	0.5
125.11575	0.5
131.04866	0.6
133.06480	1.4
135.04433	2.4
135.08061	2.0
136.05197	9.2
137.05969	2.2
145.06480	1.0
146.07291	0.9
147.08028	3.1
149.04543	0.6
149.05991	0.8
149.09671	0.5
150.06755	2.7
151.07536	100.0
152.07939	1.2
157.06488	0.8
158.07312	0.9
159.08087	0.9
160.08836	1.0
161.09628	0.6
162.06703	0.6
163.07552	1.9
164.08368	1.0
165.09113	10.4
166.09709	0.5
167.05544	1.6
171.08047	1.1
172.08751	0.7
173.06046	0.6
173.09505	0.5
174.06760	1.6
175.07602	1.3
177.09120	6.5
179.10707	1.6
184.07367	1.7
186.10425	1.8
187.07501	1.5
188.08368	4.3
189.09085	4.0
191.10658	2.6
193.08600	0.5
201.09128	1.6
202.09927	2.9
203.10695	6.1
215.10747	0.6
217.12231	11.5
225.04147	0.6
248.07924	0.4
289.32397	0.4
299.06204	4.5
309.14941	0.5
323.16422	2.3
324.17001	0.7
325.17981	0.4
334.93005	0.4
340.16705	13.5
343.37436	0.4
344.97656	0.8
353.17169	0.7
355.19022	35.9
356.19214	1.4
373.20135	2.0
386.22849	0.4
409.99933	0.5
415.03723	0.8
518.32349	0.7
521.87756	0.4
536.19330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14400	1.7
61.69474	1.5
62.98247	1.5
73.04745	6.6
78.26701	1.6
86.09719	1.9
91.05811	13.8
104.99265	27.1
109.74609	1.5
116.18361	1.6
121.29374	1.8
125.20969	1.9
145.32535	1.7
149.04543	3.5
151.07565	9.5
167.05602	12.9
167.06926	3.7
172.04970	1.9
174.02899	4.8
183.00415	2.7
184.07329	9.2
189.05240	2.2
197.01857	18.6
198.02275	7.7
225.04279	2.3
239.09561	3.4
245.88232	1.8
265.56540	1.9
266.99994	3.3
281.05008	2.0
283.03085	4.9
299.06137	33.3
339.15594	3.8
344.97641	6.8
359.03015	2.6
371.18692	5.0
415.03745	4.9
419.14059	2.7
434.16290	2.8
454.19238	9.9
503.10266	3.5
518.31189	1.7
521.17212	13.6
531.56476	2.1
536.19464	100.0
537.19666	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76728	1.4
53.03942	4.2
55.01865	4.0
55.05252	2.5
55.05508	29.5
55.83844	1.4
57.03429	2.6
57.07051	1.2
58.06604	1.7
58.25180	1.2
60.08161	3.1
62.24366	1.3
63.17250	1.1
65.58750	1.5
67.05499	24.8
69.03432	2.0
69.07062	12.4
70.06577	2.0
70.65664	1.3
71.04993	2.5
73.04750	4.5
74.77100	1.2
75.53718	1.3
79.05489	26.5
81.03403	8.0
81.07050	25.5
83.04971	4.4
83.08614	28.3
85.06544	1.6
86.09699	10.7
88.07652	1.4
91.05423	18.2
93.07040	29.0
95.04964	34.7
95.08600	27.6
97.02882	1.4
97.06522	4.8
97.10158	7.5
104.10754	7.2
105.06326	2.3
105.07010	21.1
107.04955	16.4
107.08585	22.4
109.06514	5.8
109.10188	6.8
111.08071	4.8
117.06966	10.7
119.08572	17.9
121.06516	4.8
121.10126	19.5
123.08059	4.0
123.11713	1.9
125.00019	6.2
125.06013	1.3
125.09630	6.5
129.06979	3.4
131.08569	10.2
133.10118	15.0
135.08044	4.4
135.11687	24.5
137.09621	2.2
139.11136	1.8
143.08553	1.7
145.06468	3.1
145.10118	25.5
147.08044	3.0
147.11690	9.4
149.09590	19.4
149.10658	1.8
149.13252	2.1
151.11209	2.5
155.08549	4.9
157.10172	2.1
159.11671	6.9
161.09622	2.0
161.13268	1.9
163.11166	49.1
165.12717	3.2
167.05519	8.9
169.10123	3.3
171.11639	1.9
173.09570	5.6
173.13277	2.4
175.11151	2.0
175.14793	1.7
177.12740	2.9
181.12177	6.7
183.11754	2.5
184.07333	31.6
189.11197	6.6
189.12711	1.5
197.13313	1.4
205.12254	2.0
209.11725	2.2
213.16441	1.7
223.13268	29.7
223.15263	2.1
227.12758	100.0
228.13120	2.0
229.19510	2.5
239.17964	6.5
247.20291	1.6
257.18933	11.7
259.17194	1.5
266.99966	2.4
275.20047	96.8
276.20459	4.0
283.02914	1.8
293.21094	96.2
294.21387	6.2
299.06165	18.4
300.06317	1.4
344.97720	3.0
359.02902	1.3
415.03577	3.4
497.62671	1.8
536.36792	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	32.1
57.03439	7.4
57.07079	19.3
61.02916	6.8
64.93288	2.1
67.05508	44.4
69.07072	52.9
71.04989	3.7
71.08625	11.2
71.22691	2.4
73.04758	3.4
75.04459	2.9
79.05489	17.8
81.07063	53.5
83.08624	39.8
85.02907	5.5
85.06533	3.0
85.10183	6.4
86.09724	2.9
91.03949	2.4
93.07051	29.3
95.08615	55.1
97.02866	2.7
97.06556	8.4
97.10178	28.1
99.08103	3.5
107.08593	20.7
109.10175	26.3
110.43749	2.0
111.08099	5.8
111.11730	8.7
121.10159	46.2
123.11730	11.1
125.09610	4.5
135.11711	35.4
137.13252	4.0
139.11189	5.4
149.13261	14.2
151.14806	5.0
163.14838	6.4
164.33084	2.2
165.16382	4.3
167.05554	2.6
177.16383	4.1
191.17940	3.0
199.37544	1.8
207.78471	2.4
208.35738	2.0
241.47807	2.0
247.24232	46.2
265.25275	100.0
266.25684	3.1
283.26328	20.2
284.16159	2.2
299.06158	6.9
339.28928	86.6
357.29956	40.8
422.07126	2.9
477.22467	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01870	3.0
55.05507	35.4
57.03438	8.1
57.07074	20.1
60.08154	5.7
61.02919	2.8
61.12083	2.1
66.48028	2.2
67.05499	52.3
69.03455	2.4
69.07063	57.2
69.16777	13.9
70.06578	2.6
71.04997	4.1
71.07382	4.0
71.08625	10.5
73.04762	9.3
73.64433	2.0
74.05390	2.4
76.26693	1.9
78.35204	2.4
79.05492	26.2
79.32026	2.0
81.07055	57.5
83.04980	4.0
83.08615	41.5
85.02905	6.2
85.03491	2.2
85.10179	5.4
85.46658	2.2
86.09701	34.9
88.11292	2.5
91.05795	8.7
93.07039	31.7
95.04951	2.3
95.08601	45.7
97.02905	4.1
97.06532	12.0
97.10165	30.5
104.10734	54.4
105.07059	3.2
107.08576	22.2
109.10152	27.4
111.08091	6.9
111.11707	7.2
119.08526	2.6
121.10139	46.3
123.11709	10.1
124.99985	15.3
125.09651	5.2
135.11681	38.3
135.12639	2.9
137.13214	3.0
139.11128	4.6
149.04497	2.3
149.13242	15.2
151.14815	4.1
153.12717	3.1
163.14879	5.7
165.16386	5.2
167.05537	15.3
167.14268	2.7
177.16444	5.0
184.07330	56.5
184.08891	4.3
185.15462	2.0
225.04333	2.7
239.09460	2.2
247.24191	40.3
265.25250	94.3
275.20239	4.2
281.16541	2.4
283.03036	3.3
283.26254	15.5
299.06152	27.3
300.06430	3.8
306.19058	2.7
339.28912	100.0
340.29227	4.0
344.97516	4.5
345.76093	2.6
357.29974	30.9
359.02844	3.1
383.10190	2.3
415.03613	3.4
493.04587	2.3
518.35486	3.5
536.24109	2.5
536.36395	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.8
55.05515	8.6
57.07067	6.5
64.53902	2.9
67.05499	17.0
69.07066	11.0
69.26077	19.4
73.04743	5.5
79.05505	23.2
81.07084	15.7
83.08628	5.6
85.10172	28.8
91.05413	17.7
93.07041	22.9
95.04985	6.8
95.08600	12.8
97.06561	5.5
98.22810	11.1
105.07039	17.0
107.04943	8.0
107.08598	7.7
109.10110	5.5
113.09629	35.6
119.08570	8.9
119.53308	3.3
121.10107	4.5
123.11761	3.6
129.07007	6.3
133.10159	5.7
141.98486	3.1
147.11703	9.9
149.09615	5.1
161.13281	3.9
163.11176	7.1
165.12755	33.8
167.05545	12.0
171.11690	7.1
175.11049	3.9
203.14340	3.6
207.13861	14.9
225.14799	4.7
241.19568	3.9
264.16980	3.6
277.21622	79.6
295.22668	100.0
299.06207	28.1
320.93924	3.5
331.53738	3.4
342.56653	3.8
344.97482	3.9
415.03421	4.3
512.05542	4.0
536.37885	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71651	0.9
53.03934	1.8
55.05513	11.9
57.03444	6.1
57.07061	1.9
58.06590	3.8
59.04978	1.1
60.04519	1.7
61.02921	3.6
62.86092	0.9
65.49822	0.8
67.05499	9.7
69.03433	12.6
69.07064	16.0
69.40450	0.8
70.06588	3.4
71.04988	3.0
71.08633	1.3
71.46669	0.9
73.02899	2.1
73.04762	4.2
74.45083	0.9
79.05507	3.4
81.03410	4.9
81.07059	15.7
83.08614	10.4
85.02904	34.5
85.03418	1.7
85.06541	0.9
87.04469	1.9
91.03941	2.0
91.05832	7.3
93.07045	2.6
95.08604	12.7
95.99474	0.8
97.02898	9.3
97.06513	1.4
97.10158	7.2
99.04431	2.2
101.86432	0.8
105.07027	1.5
107.08599	2.3
108.32324	0.8
109.02869	4.2
109.10155	6.6
111.11711	1.4
121.10141	1.9
123.11731	3.5
127.03947	5.3
135.11696	2.1
137.13272	1.1
144.06526	1.0
145.04980	2.8
145.10110	1.0
149.04492	1.5
167.05551	9.0
223.06410	0.9
225.04366	1.4
239.09706	1.7
267.00009	1.9
283.03104	2.8
284.03064	0.9
294.31619	3.5
299.06137	17.2
300.06281	1.7
303.30420	1.2
320.33084	14.0
338.34137	52.6
344.97623	3.8
356.35242	31.3
359.02838	1.8
374.36282	90.0
375.36603	3.7
380.35269	2.4
398.36166	2.0
415.03726	3.5
416.37305	3.6
464.37494	1.3
482.38293	1.1
500.39664	4.8
503.10849	1.3
518.40576	7.6
536.41577	100.0
537.23480	2.7
537.42151	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41585	0.3
58.06593	0.5
58.63661	0.3
65.03936	0.3
67.05521	0.6
69.27260	0.3
69.64455	0.6
69.64796	0.9
70.06608	0.5
73.04762	0.4
79.05499	0.5
81.03432	0.3
81.07039	0.6
85.02900	0.5
91.05415	0.3
93.07036	1.0
95.08599	0.5
96.08113	0.5
100.11279	1.4
100.82903	0.3
105.07049	0.7
105.27368	0.3
105.54174	0.3
107.08601	0.7
108.08141	0.6
109.10159	0.4
110.09692	0.9
120.08109	1.1
136.07573	0.5
137.05975	0.8
138.09157	1.2
161.06039	0.4
162.05571	0.4
162.91617	0.3
166.08621	2.3
167.05620	0.9
172.03957	1.0
175.07538	0.5
190.05193	0.3
197.39624	0.3
204.06549	0.6
212.09363	0.4
227.74588	0.3
237.10228	0.6
254.34373	0.3
265.09705	0.5
269.06973	0.3
279.11383	0.3
293.09100	0.4
297.12131	0.4
299.06204	1.1
300.06223	1.4
325.11798	0.8
341.11426	0.6
349.99396	0.4
353.11337	0.6
375.08362	20.6
506.19150	1.8
536.26239	0.5
537.13635	100.0
537.26831	4.3
538.13940	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03425	0.8
62.73199	0.6
65.03934	1.0
67.05498	0.9
69.07082	0.7
69.24265	1.3
69.24677	1.8
70.06586	0.8
73.04768	0.7
79.05477	2.4
81.03407	1.0
81.07043	1.6
81.50408	0.5
85.02892	0.9
91.05438	5.5
93.07038	0.8
94.04176	3.5
95.04947	0.7
95.08617	1.0
100.11238	1.2
100.57601	0.6
103.05467	1.7
105.07040	5.1
107.04951	1.8
109.06510	1.8
115.05457	2.6
117.07014	1.3
119.04916	0.9
119.08554	3.5
121.06506	1.7
122.03632	6.5
123.04420	0.5
123.08082	0.7
128.06224	2.5
129.07025	2.9
131.04915	2.6
132.05676	2.8
133.06479	2.2
135.04411	1.8
137.05975	100.0
138.06348	1.6
143.04939	0.8
144.05681	0.9
145.06482	1.3
146.03610	1.3
147.04424	1.2
147.08047	3.0
149.06017	1.3
151.03903	1.6
151.07544	1.6
153.05577	0.6
153.06863	0.8
155.04897	0.9
157.06512	0.9
159.08081	2.5
160.05174	2.8
161.05977	13.1
162.06699	1.0
163.07570	1.1
165.06996	2.7
166.07794	1.7
167.69339	0.7
173.05991	1.2
174.06651	1.2
175.07545	26.8
176.07730	0.8
177.05424	0.6
177.06958	0.8
177.09113	0.9
178.07806	1.8
179.08546	1.6
181.06487	1.0
187.07562	5.8
189.07005	1.0
189.09175	1.5
190.07761	1.0
191.07054	1.5
191.08638	0.8
193.06523	2.0
193.08614	4.7
194.07265	7.3
195.08186	0.8
199.07576	3.6
202.07762	1.5
203.08675	0.9
205.06468	3.6
205.08499	1.6
206.07260	1.5
207.08063	1.2
209.09607	1.6
210.06792	1.5
211.07565	1.0
215.08640	1.0
217.06427	0.8
217.08388	0.7
218.07286	0.7
219.08009	1.4
220.08815	0.7
221.06001	3.5
221.09636	1.1
222.06752	4.9
223.07549	0.9
224.08345	1.1
225.09132	2.6
225.52762	0.7
231.08017	1.8
233.05971	1.6
234.06770	2.0
235.07547	0.8
236.08177	0.9
237.09102	4.8
238.06172	1.3
239.06935	1.4
243.08121	1.5
247.07452	0.9
248.08260	1.0
249.09087	3.0
250.06244	1.4
251.07089	1.9
251.10759	0.8
253.08586	2.4
254.09248	0.9
260.08536	0.9
261.08899	1.4
262.06186	0.9
263.07108	0.7
263.10663	0.8
265.08609	16.4
266.09366	2.2
267.10141	2.0
268.07047	0.7
270.09097	0.7
271.07492	0.9
273.09021	0.8
275.10684	1.0
277.08578	4.7
279.10092	1.0
281.08008	1.1
282.08810	1.3
283.09738	3.8
284.02808	0.8
285.11215	9.4
288.07941	0.8
289.08658	0.9
291.10114	1.0
294.08688	0.8
295.09689	2.7
297.11224	27.6
299.06268	1.4
300.06079	1.6
303.10129	3.2
309.11246	5.7
310.12097	1.3
315.12357	1.3
319.10568	1.0
321.11285	2.9
323.12805	4.2
327.12506	0.9
335.12985	3.0
339.12274	0.7
341.13773	3.4
353.14139	4.0
363.10159	0.6
367.13354	1.1
379.13461	0.8
427.15466	2.1
439.15488	2.2
457.16519	1.3
459.17960	6.9
471.18057	5.0
477.19360	0.7
489.19183	2.7
501.18820	1.5
537.26727	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40098	0.6
55.05511	1.7
57.01840	0.8
67.05502	0.8
68.05035	0.9
69.07058	2.9
69.13871	4.0
69.14219	0.7
70.06590	100.0
71.06910	0.7
73.04757	0.8
74.76330	0.6
79.05514	0.8
81.07050	0.7
82.06590	1.4
83.08620	1.0
84.08125	0.8
86.09705	22.0
91.05417	3.2
93.07053	1.3
95.04977	1.3
97.06520	1.9
97.07662	2.4
98.06053	6.6
98.22677	0.9
99.09212	0.8
100.07601	0.8
100.11257	6.2
103.05445	3.9
105.03385	7.4
105.07034	1.3
109.07636	4.0
109.08276	0.7
111.09219	0.7
115.05466	1.0
115.08691	22.0
117.06990	0.7
119.04935	1.2
119.08588	1.5
120.08115	7.2
121.08472	1.8
122.03684	0.6
125.07133	1.4
126.05523	1.9
128.07095	0.9
129.06987	0.7
131.04913	6.3
136.07564	0.8
137.05983	6.5
137.07108	4.6
138.12776	0.9
144.05632	0.7
145.06462	0.7
151.03917	1.0
151.07474	1.0
152.08177	6.0
153.13898	1.1
155.08154	4.4
161.05959	1.8
161.09683	0.8
161.13179	0.6
163.07530	3.1
165.07030	1.4
165.13852	0.7
166.08727	1.0
167.05591	1.0
167.08551	9.0
172.03906	0.7
175.07594	1.2
175.64626	0.6
177.05534	1.3
177.09140	0.8
178.07799	2.0
179.08469	1.0
181.10149	0.6
181.13383	0.9
182.15450	1.6
183.14911	6.0
187.07599	1.3
190.12317	0.9
191.08575	2.1
193.08600	0.7
193.10320	0.8
194.07240	0.6
195.08038	3.7
197.09605	1.1
203.08572	0.8
204.06528	0.9
205.08640	0.7
207.08066	1.7
208.11288	0.9
209.09674	1.5
209.15073	3.0
210.16019	2.5
211.14351	6.3
219.08093	2.4
221.09659	1.3
223.07538	10.0
225.09099	0.8
228.17169	2.8
236.10686	10.3
237.09032	1.0
238.12112	1.2
247.07657	1.0
248.10771	2.0
250.15527	2.3
253.13438	1.6
254.11963	1.6
263.11743	0.7
265.08658	4.0
268.16611	3.1
282.11185	9.9
299.06308	1.2
299.13876	9.7
300.06323	1.6
309.12219	1.5
327.13324	1.2
340.13275	0.9
350.78302	0.7
393.12946	0.7
396.19263	2.7
406.17532	0.9
424.18683	9.8
464.83362	0.8
465.33203	0.7
491.26703	1.1
492.24884	4.1
506.19922	0.7
509.27689	1.7
519.26190	2.0
527.86346	0.8
528.36182	0.9
536.86707	0.8
537.27118	76.1
538.27307	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05031	0.4
56.57870	0.1
57.05812	0.3
58.06595	1.8
67.05479	0.2
69.07069	6.4
70.06586	2.5
70.51648	0.3
71.07372	1.7
72.08155	6.7
74.04664	0.1
76.02224	0.7
81.03432	0.1
81.07068	0.2
84.04505	0.1
84.28835	0.1
85.02891	0.2
86.09704	6.4
98.06051	0.8
99.05589	0.6
100.07625	2.1
100.11255	100.0
101.11573	0.9
105.07066	0.1
107.08611	0.2
116.01624	0.2
126.05489	0.6
127.12308	0.8
130.05028	0.1
132.10202	1.9
136.07617	0.2
137.05972	0.1
139.12424	0.1
141.87233	0.1
155.11789	4.5
162.02249	0.2
163.02428	0.1
165.94643	0.1
175.07570	0.5
179.04903	0.4
180.05125	0.1
183.14952	0.2
188.10741	0.4
197.16605	0.4
199.18137	0.6
211.14398	0.1
217.08607	0.3
225.15984	3.7
229.15494	1.5
233.05962	0.1
234.11220	0.8
239.13928	0.3
257.14957	2.7
300.06122	0.2
307.12900	0.3
308.09232	0.4
309.09332	0.3
325.03488	0.2
356.25421	7.2
357.25876	0.3
378.23904	1.0
392.50250	0.1
403.45676	0.1
406.23358	2.2
410.22806	0.6
414.91891	0.1
537.19666	0.1
537.25891	0.2
537.32904	3.8
538.32990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70803	1.0
64.04530	1.3
65.03914	1.3
67.05475	1.7
79.05483	2.5
80.04989	1.3
81.05787	1.1
82.06569	1.7
86.32002	1.1
90.40023	1.0
91.05488	3.9
93.07043	9.3
94.06551	10.7
95.04951	2.0
95.07325	10.6
95.08601	1.9
96.08121	24.1
97.06538	1.8
103.05448	1.8
106.06551	1.4
108.08115	15.7
109.10126	1.4
110.09669	33.9
116.04984	3.7
118.06548	1.5
120.04456	6.5
120.08098	26.0
122.06042	4.7
122.09666	1.3
124.07593	5.9
129.07021	1.6
134.05994	2.5
135.04434	2.4
136.07565	11.1
137.05992	1.5
138.05486	6.1
138.09128	56.8
144.04419	7.7
146.05983	5.3
148.07559	6.4
150.05560	2.7
152.07076	1.7
157.06554	1.2
157.71558	1.0
160.03938	2.2
162.05534	4.1
164.07111	2.4
166.05035	6.1
166.08624	100.0
172.03926	41.9
174.05482	2.3
182.53395	1.1
186.92545	1.1
187.07518	1.8
190.04962	19.7
197.10663	1.6
204.06538	16.7
204.08321	1.5
209.10799	3.1
210.11707	1.1
211.08716	1.2
212.09491	4.1
213.10219	1.6
216.06651	2.0
217.08560	6.8
218.04417	1.7
222.11543	1.4
223.12325	1.3
224.09438	4.0
225.10272	4.9
226.11000	1.6
227.11823	2.5
236.09381	3.1
237.10179	14.6
238.11060	3.3
239.08115	1.5
239.11749	2.8
241.09749	3.2
245.12801	1.4
247.14461	3.2
249.10265	1.5
250.07397	1.9
250.11050	1.4
251.08139	3.4
251.11726	9.1
252.08934	2.5
252.12851	2.0
253.09715	8.2
255.11336	3.7
263.11795	2.1
265.09717	20.0
266.10489	4.5
267.11282	2.8
268.08490	2.1
271.10840	3.7
273.12317	6.3
277.09720	1.2
278.06558	8.4
279.11264	11.4
280.08450	2.4
280.12042	1.3
281.09305	2.5
281.12753	2.7
282.09891	1.4
283.10739	8.3
285.12329	3.2
291.11075	1.3
292.08145	2.7
293.09158	23.0
294.09952	6.8
295.10834	1.7
296.11780	1.2
297.12292	8.2
299.10306	2.9
300.11020	2.2
301.06097	1.2
307.10669	5.9
309.12393	3.6
311.10226	3.3
312.11023	5.2
313.11810	7.8
323.10321	2.1
325.11804	26.5
335.10083	9.1
340.10556	3.1
341.11258	30.1
341.15222	1.9
343.13077	2.2
353.06976	1.2
353.11298	24.9
354.11835	1.3
357.14536	4.0
373.14056	6.4
375.08206	1.8
376.08560	5.7
385.13834	6.5
400.16867	1.3
402.18198	1.5
437.19534	1.3
444.19354	2.2
460.18643	6.8
465.18942	9.2
478.19717	10.6
482.02396	1.3
488.18082	15.8
506.19180	86.6
507.19553	3.9
520.20679	1.6
538.14038	38.3
538.21960	3.2
539.14270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.2
61.02927	1.1
63.87447	0.9
65.03951	1.6
67.05509	2.5
69.03425	3.1
69.07057	1.1
70.06590	5.0
71.04993	1.8
71.60356	0.9
79.05491	3.2
80.05015	1.8
81.03426	2.4
81.05802	1.3
81.07045	3.0
82.06578	1.9
84.04527	1.5
85.02901	9.0
86.09708	3.1
91.05484	4.6
92.05014	1.4
93.07046	7.3
94.04157	1.3
94.06569	12.2
95.04987	1.9
95.07346	6.9
95.08572	1.4
96.08131	19.7
97.02908	2.4
97.06523	1.9
99.04414	1.7
100.11299	4.8
103.05491	1.8
104.05344	5.7
105.04512	1.4
105.07040	1.9
108.04456	1.1
108.08102	12.1
109.06483	1.5
109.08920	2.1
109.10196	1.4
110.09678	29.5
111.04445	1.4
115.05457	5.3
116.04988	4.3
117.07033	2.4
118.06567	1.1
119.04921	1.2
120.04463	6.6
120.08101	22.7
121.10124	1.7
122.03662	3.1
122.06015	4.4
124.07582	8.1
127.03901	2.6
129.07019	3.9
131.04944	2.3
133.10175	3.2
135.11725	1.3
135.34132	1.0
136.07565	9.3
137.02364	2.3
137.05971	71.0
138.05472	4.8
138.09137	46.1
143.04916	7.6
144.04419	8.2
145.04977	2.8
145.06490	1.6
145.10143	2.0
146.06004	5.6
147.08035	1.6
148.03960	1.4
148.07558	7.7
149.05986	1.6
149.07477	1.8
150.05502	1.8
151.03957	1.8
151.07536	1.2
151.11191	1.1
152.07079	1.2
153.05455	3.1
157.06493	4.4
160.03978	1.8
160.05182	11.9
161.05995	2.0
162.05530	4.5
163.07579	2.6
164.07039	1.2
166.04970	4.7
166.08629	100.0
172.03929	36.2
172.05185	2.8
175.07538	86.2
176.07861	1.9
177.09045	1.1
178.04942	2.0
180.08742	1.2
187.07529	28.0
189.09106	6.4
190.04959	16.7
192.06596	2.0
199.07468	1.1
204.06570	14.9
205.06686	1.2
205.08575	23.9
205.10385	1.9
209.10797	1.3
210.15027	1.2
212.09396	2.8
213.10143	1.6
217.08588	2.5
218.04501	1.4
222.07687	1.3
222.11491	2.1
223.12201	1.2
224.09430	3.8
225.10231	4.5
226.10880	1.8
227.11772	2.3
231.08012	1.9
235.09663	27.6
235.11980	2.1
236.09448	2.0
237.10204	14.1
237.18469	4.0
238.10959	3.6
239.08047	1.8
239.11847	3.9
240.09094	1.1
241.09773	3.5
245.12830	1.9
247.14468	1.5
248.08269	1.1
249.10220	2.2
250.07309	1.8
250.10799	1.4
251.08090	2.2
251.11856	8.9
252.08774	2.0
252.12538	2.1
253.09712	7.3
253.13438	2.1
255.11273	1.6
260.10696	4.2
263.11520	2.3
264.09009	1.4
265.09729	21.5
266.10654	2.5
267.11270	4.7
268.08417	2.0
270.08765	1.7
271.10120	3.6
273.12311	6.5
278.06607	7.5
279.11292	10.6
280.08517	1.3
280.12152	1.2
281.09210	1.7
281.12817	2.6
283.10959	7.1
285.12219	1.9
291.10165	5.0
292.08142	1.7
293.09174	23.3
293.12427	1.3
294.09982	4.0
295.10788	3.4
296.11435	1.3
297.12271	7.7
299.06470	1.3
299.10257	3.3
300.11179	1.7
301.05923	1.5
307.10785	4.5
309.12308	3.4
310.12689	1.1
311.10208	4.4
311.13278	2.2
312.11115	4.9
313.11789	7.7
323.13101	5.3
325.11771	21.9
326.12222	1.1
327.13486	3.0
328.13779	4.6
335.10223	7.0
340.10114	2.1
341.10947	26.5
343.13159	1.7
353.11319	25.3
357.14328	2.1
367.12515	1.1
373.14005	6.2
373.18094	1.5
385.13885	5.1
425.18829	2.4
444.18582	1.1
460.18713	6.0
462.20062	1.3
464.17838	1.4
465.19189	8.2
478.19968	7.5
488.18118	14.2
495.35284	1.3
506.19235	75.0
507.19479	3.2
520.20667	1.2
538.20190	1.7
538.28168	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
55.01862	0.7
57.03431	0.7
69.03428	2.4
69.07059	0.6
69.16319	2.1
70.06575	0.9
71.04973	0.7
72.08144	0.6
79.05483	1.3
81.03422	0.8
81.07047	1.1
82.84372	0.4
85.02898	4.5
86.09693	0.7
88.33967	0.4
91.05461	4.1
93.07024	2.7
94.04177	1.8
95.04938	0.5
97.02888	1.2
100.11259	5.7
101.11613	1.3
103.05474	2.5
105.07026	5.4
107.04936	0.9
107.08599	0.7
109.06508	1.3
115.05466	1.8
117.07031	1.9
118.94893	0.5
119.04996	0.6
119.08578	2.1
120.97482	0.4
121.06490	2.2
121.10137	0.8
122.03640	5.5
127.03930	1.0
128.06224	0.5
129.06981	1.7
130.04080	0.6
131.04921	1.7
131.08595	0.6
132.05682	1.7
132.33279	0.5
133.06476	4.6
133.10115	2.6
137.05968	100.0
138.06300	1.5
143.04979	0.6
144.05701	0.6
145.04974	1.1
145.06514	2.8
145.10098	1.2
147.04396	1.5
147.08075	2.6
147.09033	0.4
149.05960	5.3
149.09666	0.5
151.07520	0.9
155.04901	1.0
159.08043	1.5
160.05186	0.8
161.05963	14.9
162.06711	2.0
163.07559	0.9
171.07983	0.5
172.05127	0.7
173.05939	1.4
175.07535	23.7
177.09047	0.6
179.07011	1.3
179.08476	0.4
187.07503	6.5
189.09138	0.5
190.07790	0.8
191.08568	4.2
191.14363	0.8
193.08574	5.7
199.07578	2.3
202.07736	1.1
203.08614	1.6
205.06769	0.8
205.08525	3.7
208.08899	0.7
209.15349	0.5
217.08604	0.8
218.07272	0.9
219.08049	5.9
219.17444	1.5
219.87083	0.4
220.08801	0.9
225.09151	0.5
227.16403	0.9
231.08006	2.2
232.08769	0.6
233.09641	0.7
235.07582	0.8
236.08255	1.7
237.09085	0.5
237.18521	1.2
247.07510	3.7
248.08287	1.9
251.10655	10.6
251.13109	0.9
253.08665	0.5
259.07538	1.4
260.08215	0.7
261.09271	0.8
263.07135	0.7
263.10724	1.4
264.07849	1.3
265.08762	0.6
269.11844	0.8
276.07864	0.6
277.08658	0.8
279.10135	8.5
280.10840	0.8
281.07974	0.8
291.10110	3.8
292.10895	0.9
296.10416	1.5
302.35666	0.5
309.11197	0.9
311.12744	28.0
312.13138	1.0
323.12802	9.3
329.13779	5.1
341.13779	9.5
359.14749	1.3
364.84158	0.5
424.17526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
56.05020	3.6
57.03437	1.1
57.36900	0.9
61.02922	2.4
69.03416	5.2
69.07067	1.8
69.12843	5.6
70.06585	2.3
71.04977	1.6
72.18569	0.9
77.03959	0.9
79.05489	1.3
81.03419	2.6
81.07058	2.1
85.02910	12.4
86.09707	2.5
91.05480	5.4
93.07030	2.8
94.04224	2.0
97.02885	4.5
98.23489	2.3
100.11244	1.3
103.05482	7.0
104.05333	10.4
105.03336	1.3
105.07018	5.6
107.04956	2.2
107.08601	1.9
109.06460	1.0
109.10139	1.3
115.05458	3.4
117.06985	2.3
119.04980	1.5
119.08568	5.7
120.08110	1.2
121.06527	1.2
122.03645	5.1
127.03940	2.2
128.06209	2.8
129.07007	5.2
131.04910	13.5
132.05698	4.5
133.06490	3.0
133.10065	1.1
135.11710	2.2
137.05975	100.0
138.06352	1.9
139.07466	1.6
145.04967	2.1
145.06619	1.0
147.08014	6.4
149.05981	1.5
149.07462	2.0
157.06464	1.8
159.08095	1.1
160.05217	4.4
161.05981	9.3
163.07549	23.7
167.07001	1.1
171.03934	0.9
175.07542	82.9
187.07515	8.6
189.09044	1.8
191.08507	4.8
193.08636	6.4
199.07594	4.5
201.09100	1.4
202.07718	1.1
203.08549	2.5
205.08661	1.3
218.07365	1.2
219.08043	5.5
220.08803	1.1
231.08054	4.0
232.08977	1.5
235.07549	1.1
235.09541	1.7
237.18489	2.8
247.07567	2.7
248.08376	0.9
251.10635	8.2
259.07642	2.4
260.10516	5.5
263.10638	2.2
264.07660	1.2
277.08575	1.8
279.10123	8.1
291.10242	5.4
292.10825	2.0
311.12781	23.4
323.09357	1.8
323.12784	15.1
325.14462	5.5
341.13760	3.8
371.92157	1.1
422.74844	1.2
425.18832	1.1
538.27130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05509	1.2
56.05027	1.5
61.01170	1.3
69.03436	5.7
69.62901	3.4
70.06592	2.9
71.04983	1.7
79.05502	1.7
81.03417	1.5
81.07040	2.2
85.02895	10.0
86.09732	1.6
91.05474	6.2
93.07051	1.2
94.04176	3.1
95.04967	1.7
97.02892	4.1
103.05460	6.7
104.05316	5.7
105.07040	5.6
107.04952	1.9
109.02893	2.1
115.05471	2.4
117.06956	1.7
119.08556	5.8
120.08080	2.1
121.10172	2.2
122.03614	6.1
127.03925	2.3
128.06239	1.6
129.07001	3.6
130.04800	1.1
131.04924	15.6
132.05688	3.6
133.06476	3.7
135.11693	2.3
137.05969	100.0
138.06349	2.0
139.07550	1.7
143.04967	2.0
145.04974	2.1
145.06497	1.5
147.04440	1.5
147.08040	5.4
149.05919	1.4
149.07504	1.7
159.08096	1.7
160.05164	4.8
161.05975	9.8
163.07533	22.2
175.07532	77.0
187.07542	8.6
189.09061	2.5
191.08562	4.4
193.08582	3.9
199.07561	4.2
201.09138	1.4
202.07700	1.6
203.08591	1.8
205.08556	2.5
218.07304	1.3
219.08061	4.2
231.07962	4.2
235.09714	2.9
237.18585	1.9
247.07607	3.7
248.08292	2.5
251.10704	8.2
259.07559	2.8
260.10614	3.4
263.10742	1.9
277.08469	2.1
279.10156	7.1
291.10190	5.7
292.10962	1.5
311.12750	26.7
312.13367	1.5
323.12720	17.8
325.14331	4.1
328.13928	2.5
332.27780	1.1
341.13757	5.0
494.04401	1.2
538.27570	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08247	0.7
50.93469	0.5
51.28085	0.7
57.67541	0.6
67.05489	1.1
69.33534	3.5
70.31528	0.6
73.04745	1.0
75.04434	0.8
78.04704	2.3
79.05485	4.4
81.07069	0.7
91.05440	3.3
93.07063	1.1
95.04963	3.0
98.23540	0.6
103.05483	4.1
105.07008	2.4
106.04152	2.0
107.04964	7.7
109.06501	1.6
115.05412	1.3
117.07024	1.9
119.04964	1.1
120.05775	0.8
121.06516	3.4
122.03638	0.8
123.04446	6.9
123.08061	1.4
124.05252	4.0
129.06966	1.5
131.04926	7.6
131.08546	2.0
133.06506	3.7
135.08057	2.3
136.05214	3.5
137.05988	9.0
138.06801	1.4
139.07475	0.8
141.06989	2.0
143.04903	0.8
143.08539	0.7
144.05698	1.7
145.06474	4.3
147.04382	0.8
147.08041	0.9
148.05183	10.4
149.05986	1.5
151.03896	3.3
151.07544	17.8
152.04652	3.3
153.05482	0.9
157.06461	1.8
158.07239	3.5
159.08058	5.4
161.05988	5.8
162.44759	0.6
163.07547	16.1
165.05466	2.8
165.09102	4.0
166.06244	14.3
167.07039	99.2
168.07451	0.8
172.05293	1.3
172.08859	0.7
173.05984	2.4
173.09633	3.2
174.06633	0.8
175.07484	3.3
176.08311	6.3
177.05415	1.0
177.09079	5.6
179.07054	1.3
180.07793	6.0
181.08597	100.0
182.08981	1.3
184.08882	0.7
186.06781	1.4
187.07529	9.5
188.08345	5.1
189.09065	3.5
190.09914	1.3
190.73691	0.7
191.07065	1.4
192.07857	1.4
193.08606	5.3
195.10168	18.7
200.08421	0.7
201.05516	1.1
201.09088	8.2
202.09837	3.7
203.07022	3.8
203.10590	0.9
204.07835	2.7
205.08617	1.8
207.10164	18.0
215.10448	1.0
216.11372	4.8
217.08577	5.2
217.12041	1.1
218.09402	1.7
219.10146	17.2
221.11613	0.9
231.10193	7.5
232.10918	1.6
233.11717	21.7
247.13322	13.9
263.10599	0.9
273.52585	0.7
275.12891	1.1
291.10251	0.9
299.05994	1.1
301.05789	1.2
305.11768	1.3
306.12524	2.4
306.21545	0.7
307.13132	0.9
309.14761	1.0
322.12000	0.9
323.12839	1.8
337.14328	5.8
338.15103	5.2
346.60135	0.9
354.14795	1.1
369.16974	35.5
370.17642	3.2
386.17316	4.9
401.19580	60.9
402.19943	2.0
419.20670	6.4
461.21896	2.2
538.28198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36736	0.8
67.05503	2.1
67.59888	0.9
69.60314	0.9
69.80885	2.8
69.81208	1.0
73.04763	1.6
75.04508	1.2
78.04716	2.3
79.05508	3.2
81.07099	1.2
91.05484	2.5
93.07050	1.4
95.05015	1.3
98.23129	2.9
98.72622	0.9
103.05482	1.5
105.07036	1.8
106.04173	2.2
107.04970	3.4
109.06571	1.9
117.07030	1.8
121.06492	3.1
123.04459	6.2
123.08095	1.3
124.05198	2.2
125.09718	0.9
129.07008	1.3
131.04903	1.4
133.06517	3.0
135.07990	1.5
136.05205	3.8
137.05974	6.2
138.06731	1.2
139.07562	1.6
145.06493	1.7
148.05196	11.6
150.06750	1.5
151.03900	2.2
151.07552	14.2
152.04713	3.9
152.07921	2.8
158.07329	2.1
159.08063	3.6
161.05998	4.0
163.07562	8.5
165.05537	1.6
165.09158	4.4
166.06267	14.6
167.07047	77.8
169.08600	1.0
172.09044	1.1
173.06029	3.3
173.09679	3.7
174.06717	1.1
175.07594	3.5
176.08325	2.7
177.09135	5.4
179.06966	1.4
180.07867	3.9
181.08607	100.0
184.07370	1.3
186.06792	1.6
187.07562	7.6
188.08365	3.8
189.09148	3.5
191.07045	1.6
193.08600	7.7
195.10184	7.5
201.09135	8.4
202.09940	3.8
203.07103	3.5
203.10664	1.1
205.08582	3.5
207.10193	10.7
211.07225	1.1
216.11414	4.8
217.08670	3.0
218.09435	3.1
219.10191	16.5
221.11786	1.8
231.10168	1.9
233.11752	21.7
247.13341	7.4
300.06259	1.3
301.05902	3.1
307.13229	1.1
323.12717	1.8
337.14255	2.5
338.15164	1.9
342.17630	1.2
357.19516	1.4
369.16922	16.0
370.17603	2.4
386.17300	5.4
401.19611	70.2
402.19940	1.2
419.20703	6.2
429.19046	3.7
461.21606	1.5
489.69165	1.0
538.34985	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
55.27047	0.4
57.11509	0.4
58.67779	0.4
65.03935	0.7
69.19729	1.1
69.20141	1.4
73.86207	0.4
74.49891	0.4
75.81467	0.4
77.03936	0.6
78.04725	1.9
79.05494	2.9
80.96861	0.4
81.07066	1.2
83.04988	0.7
91.05478	2.6
93.07101	0.5
94.04202	0.8
95.05000	1.4
98.22823	1.6
103.05463	0.6
105.03404	0.7
105.07037	0.5
106.04155	0.7
107.04958	4.8
108.05779	2.6
109.06531	2.9
111.04445	3.3
117.07008	0.9
118.04140	0.6
119.08537	0.6
121.06474	2.5
122.07349	0.5
124.05222	1.0
125.06007	0.5
128.06221	0.6
131.04900	0.5
133.06511	2.8
135.04436	2.3
136.05203	11.3
137.05997	5.0
138.06779	2.1
139.03905	2.6
139.07529	1.1
145.06458	1.5
146.07277	3.9
147.08041	0.7
149.06006	1.9
150.06779	2.9
151.07552	67.2
152.04674	4.0
152.07809	0.6
153.05473	0.5
153.09106	0.6
154.06261	15.3
157.06482	1.1
158.07269	1.3
159.04361	0.6
159.08038	1.4
160.05057	0.5
160.08804	0.8
161.06003	3.0
162.06779	1.6
163.02618	0.5
163.03874	0.8
163.07553	0.6
164.04630	1.0
165.09125	15.1
166.06270	6.4
167.03424	4.1
167.07048	7.0
169.08615	8.6
171.08067	1.5
172.08847	0.9
173.05988	2.5
174.06776	1.7
175.07521	1.1
176.08228	0.6
177.09119	18.1
178.06258	0.6
179.07002	0.8
179.10559	0.5
181.08595	6.4
182.05760	12.0
184.07283	0.4
185.06015	0.7
186.10425	3.8
187.07553	3.6
188.08342	3.7
189.09113	4.8
191.10657	1.3
193.08623	15.2
196.07263	0.8
197.08104	100.0
198.08388	1.4
199.07471	0.5
200.08301	0.9
201.09116	5.0
202.09863	4.6
203.07089	0.5
203.10658	4.9
205.08644	1.9
211.09644	1.5
215.10689	0.7
216.07832	0.7
217.08992	2.7
217.12242	23.4
231.10187	3.9
232.10966	1.4
263.10336	1.0
263.12823	9.6
278.13098	0.5
291.10159	0.9
305.11752	0.7
307.13312	1.4
309.15103	0.6
323.12869	0.9
337.14392	5.2
338.15189	3.8
339.16159	0.7
369.16995	33.2
370.17477	3.2
386.17114	0.7
401.19589	8.3
419.20490	1.3
429.19086	4.6
463.99057	0.5
517.34052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19955	0.7
70.73312	1.1
75.03085	0.6
83.04954	1.2
83.65433	0.7
91.05484	2.2
91.31004	0.7
96.70295	0.8
111.04462	1.3
121.06480	0.9
129.06972	1.1
131.05072	0.7
133.06581	0.8
135.04350	0.7
135.27728	0.7
136.05228	2.4
137.05914	1.2
143.08595	1.0
148.05194	2.4
151.07513	10.7
153.05489	4.8
153.06656	0.7
154.05804	1.8
154.07683	0.9
157.06519	2.5
158.07220	1.1
165.09088	6.3
166.06261	9.9
169.06494	2.0
171.08003	3.4
172.08832	3.6
173.05931	1.0
174.06799	1.0
174.10483	1.6
176.08395	1.3
177.09070	3.9
180.07794	2.1
181.08592	19.7
184.08804	6.1
185.05881	1.2
188.08299	11.7
189.09091	2.8
193.08699	0.9
195.10135	3.1
200.08322	5.8
201.09122	6.3
202.09937	1.9
203.10660	8.1
204.11346	0.9
205.12265	2.5
207.10175	2.4
214.09848	1.2
215.10658	34.1
216.11041	1.1
218.09311	1.1
219.10229	1.3
233.11714	15.9
245.11813	2.0
275.12759	100.0
276.13324	3.5
283.09683	1.0
298.11810	1.0
301.05713	1.3
305.13840	7.1
318.08508	0.9
321.14890	1.1
337.14185	1.7
351.15796	0.8
352.16583	2.7
376.08704	1.0
383.18539	13.1
385.20071	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.5
69.70369	0.9
69.70735	1.1
71.26532	0.5
73.04758	0.9
77.77766	0.5
79.05479	1.5
85.02930	0.5
91.05850	0.6
95.04927	0.5
97.10115	0.6
98.23405	0.7
105.07026	0.6
107.04947	2.6
108.12043	0.5
115.05480	0.6
121.06510	1.7
123.04401	0.8
143.08583	0.6
144.05627	0.5
145.06474	0.5
146.07251	0.8
149.05954	0.8
151.07541	4.8
152.04678	0.6
153.06999	1.0
155.08478	0.8
156.05681	0.5
157.06543	2.6
158.07248	0.7
159.08017	0.6
161.05952	0.6
161.28798	0.6
165.09132	3.1
167.05672	1.0
167.07013	8.9
169.06477	1.9
170.07256	0.7
171.08040	2.8
172.08804	3.9
173.06032	1.7
173.09593	0.5
174.06779	0.8
174.10422	1.6
175.07510	0.8
177.09097	2.5
179.06950	0.5
181.08582	2.2
183.08107	0.8
184.08821	6.4
185.05930	2.1
185.09416	0.7
186.06769	0.9
188.08299	9.9
189.09091	2.4
191.10703	0.6
193.08611	1.4
200.08337	5.2
201.09065	2.1
202.09821	1.1
203.08942	1.0
203.10660	8.7
205.12215	2.9
215.10661	36.1
216.10982	0.6
218.09346	1.3
231.08156	0.6
233.11711	18.8
245.11774	0.7
255.10063	0.6
274.10034	0.7
275.12759	100.0
276.13126	2.6
277.12207	0.8
299.06137	1.4
300.06348	0.7
301.06015	1.3
301.11798	0.6
305.11377	0.7
309.14673	0.9
337.14301	1.5
369.16940	4.1
502.12881	0.5
538.36395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69248	0.4
52.51479	0.5
53.02579	0.6
55.05480	0.5
67.05492	0.8
71.46650	0.6
73.04755	1.0
78.04701	2.8
79.05490	2.2
81.07051	1.2
91.05464	1.7
93.07007	0.5
95.04970	1.5
104.10674	0.7
105.03366	2.5
105.06991	1.3
106.04165	5.3
107.04970	1.2
107.08569	0.7
109.06517	0.9
109.08812	0.6
112.02708	0.5
115.05450	0.6
119.97677	0.5
121.06490	1.0
123.04406	2.2
124.05188	2.4
129.06989	1.1
133.06453	1.0
134.03629	7.1
136.05185	1.5
137.05945	1.4
138.06764	0.7
139.07491	1.8
143.08665	0.5
145.06430	0.8
148.05165	4.9
151.03909	1.9
151.07526	5.2
152.04677	12.0
153.05475	0.6
158.07236	0.8
159.08076	1.4
161.05962	1.1
163.07536	2.8
165.05440	0.6
165.09106	2.3
166.06245	7.2
167.07021	100.0
168.07407	1.8
170.33774	0.5
173.06001	2.2
173.09587	1.9
175.07516	2.3
176.04608	0.5
176.08290	2.0
177.09113	1.9
180.07773	1.6
181.08578	47.9
182.08904	0.9
183.58591	0.5
187.07568	3.7
188.08275	1.0
189.09103	1.8
190.09889	0.8
191.07135	0.9
193.08554	2.5
195.10150	3.5
201.09087	5.9
202.09825	1.3
203.06967	0.7
203.10640	1.7
204.11232	0.8
205.08585	0.8
207.10121	3.5
215.10677	0.9
216.11452	6.2
217.08638	2.6
217.12114	0.6
218.09435	0.7
219.10141	3.8
221.11711	1.5
231.10207	1.0
231.86864	0.6
232.10925	1.1
233.11714	5.7
246.14818	1.0
247.13274	16.7
275.12726	1.5
299.06192	1.1
301.05896	2.1
309.80688	0.5
337.14493	0.8
338.15021	0.6
369.16968	5.1
370.17505	0.7
386.17239	1.9
401.19574	28.2
402.20074	0.7
419.20505	2.1
452.04865	0.5
538.37585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57930	0.4
77.28334	0.5
98.22778	2.1
98.23492	1.2
107.04987	0.5
114.24753	0.4
136.05190	0.8
144.87231	0.4
151.07536	2.5
159.08104	1.9
165.09111	0.6
169.06438	0.8
171.08115	0.9
172.08838	0.5
173.09624	0.8
177.09106	0.5
181.08641	1.0
183.08057	0.9
187.07558	3.8
188.08347	1.4
189.05420	0.6
189.09099	2.1
191.07045	0.6
195.10172	0.6
199.07524	2.4
200.08330	0.6
201.09074	2.8
202.06174	0.5
202.09891	9.1
203.07025	2.3
203.10641	1.4
204.07820	0.6
204.11446	3.0
207.10110	0.7
212.08302	1.6
214.09880	5.8
215.07027	7.4
215.10443	0.5
217.08595	1.6
218.09380	5.2
219.10165	1.2
220.10878	0.9
227.95572	0.5
230.09409	3.3
231.10156	1.2
233.08136	0.7
233.11754	2.2
235.13309	1.5
235.45558	0.5
245.11754	15.6
248.10469	1.0
263.09958	0.8
263.12796	17.0
264.12921	0.5
275.12842	1.3
301.05820	0.9
305.13849	100.0
306.14233	2.0
553.33917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33830	0.4
56.47355	0.5
60.40398	0.4
62.67420	0.5
67.05485	0.6
69.65870	1.5
75.04473	0.6
75.51469	0.5
83.59972	0.5
91.05432	1.1
95.04989	0.7
98.22885	1.2
107.04948	0.9
118.58947	0.5
121.06490	1.0
129.07018	0.7
130.64476	0.4
135.04384	0.6
136.05211	1.9
137.05965	1.1
143.08691	0.6
145.06454	0.6
146.07294	0.9
148.05180	1.2
150.06741	0.8
151.04050	0.5
151.07552	7.9
153.06973	0.7
154.07782	0.9
155.08679	0.5
157.06467	3.1
158.07323	1.0
159.08145	0.7
165.05478	1.0
165.09151	4.8
166.06267	9.8
168.05702	0.6
169.06462	1.6
171.08072	3.2
172.08804	4.8
173.05959	1.6
174.06714	0.6
174.10460	1.9
176.08325	1.0
177.09094	3.6
180.07811	1.6
181.06937	0.9
181.08594	18.6
183.08020	0.9
184.08852	6.5
185.06018	2.3
185.09749	0.5
185.38881	0.5
186.06796	0.7
187.07532	0.8
188.08307	10.5
189.09097	2.4
193.08626	1.1
195.10168	4.0
199.07695	0.9
200.08330	5.8
201.09088	5.4
203.10683	8.2
205.12192	2.7
207.10165	2.3
215.10670	34.5
218.09355	1.1
219.10159	1.2
233.11711	17.0
245.11803	1.8
253.80147	0.5
275.12775	100.0
276.13144	2.1
291.09915	0.5
298.11926	0.7
299.06058	0.9
301.06107	0.9
305.11356	0.7
305.14420	0.7
306.12213	0.9
321.14700	0.6
337.14325	1.8
351.15985	1.4
352.16583	2.7
353.13644	0.6
368.16351	1.1
383.18484	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01863	3.9
55.05511	10.8
57.03433	15.6
57.07065	4.9
59.04979	3.3
67.05508	15.0
69.03428	45.4
69.07052	10.1
69.20715	10.4
69.78400	2.0
70.06577	3.2
71.04980	4.0
71.75457	1.7
73.02917	3.0
73.04755	2.5
79.05486	12.9
81.03407	4.0
81.07053	27.8
83.04479	2.0
83.04974	31.1
83.08628	10.5
84.47495	1.6
85.02906	29.8
85.06541	7.9
87.04467	23.2
91.05444	10.3
91.68224	1.8
93.07043	24.1
95.04964	40.5
95.08598	17.9
97.02895	34.5
97.06530	12.2
99.04458	9.5
105.07034	20.8
107.04977	1.8
107.08591	35.5
109.06519	34.9
109.10144	34.8
111.04405	1.8
111.08076	6.7
113.09627	2.3
115.03930	33.9
115.07551	2.7
117.07077	2.4
119.08554	12.9
121.06501	4.7
121.10136	34.9
123.08050	7.3
123.11707	10.7
125.06008	2.1
125.09650	9.1
127.03910	5.4
131.08557	17.5
133.04956	30.7
133.10126	67.7
135.08061	11.6
135.11681	13.1
137.05988	4.3
137.09612	1.9
137.13188	2.1
139.07544	2.3
139.11153	9.5
141.09097	2.6
143.08583	2.3
145.04961	4.0
145.10121	10.2
147.11676	9.8
149.09618	5.6
149.13260	26.6
150.07596	5.6
151.11183	8.1
153.09120	18.7
158.10886	7.1
159.11763	2.2
163.11192	3.7
163.14793	11.6
167.14348	9.5
171.10181	4.1
173.13254	48.3
173.14755	2.8
175.11121	1.6
175.14848	4.4
181.15814	3.4
191.10713	4.3
191.14304	63.5
198.69368	1.8
209.11726	8.6
209.15347	100.0
217.33556	2.0
219.17406	1.8
227.12788	6.3
227.16406	21.9
228.65935	2.0
241.07283	1.9
259.08008	2.6
323.18173	1.8
341.19724	2.9
353.19604	2.9
371.20862	1.9
482.60355	1.9
538.21057	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.5
55.05516	9.8
57.03441	3.3
57.07079	3.1
67.05507	13.6
69.03428	6.0
69.04678	2.5
69.07066	10.4
69.69289	3.4
69.69627	9.9
70.06593	6.2
71.04991	44.9
73.06539	3.5
75.52763	2.3
77.28820	2.6
79.05481	14.9
81.03438	5.3
81.07053	48.9
83.04997	5.0
83.08630	11.0
84.54066	2.8
85.02906	19.6
85.06557	5.1
91.05479	21.8
93.07039	26.0
95.05002	4.3
95.08614	28.9
97.02870	3.1
97.06539	6.9
97.10188	8.2
98.22625	3.2
99.08094	17.2
100.11252	26.9
101.11639	8.3
103.05486	9.3
105.01915	3.9
105.07033	57.0
107.08586	30.2
109.02904	3.1
109.06522	4.0
109.10178	16.8
119.08569	17.8
121.06497	4.1
121.10161	25.5
123.08103	3.3
123.11707	7.9
125.09623	39.2
127.03922	8.6
127.07536	5.3
127.11163	9.9
129.05487	5.6
131.04927	12.2
131.08577	12.5
133.10123	97.4
134.08255	3.1
135.11694	7.7
137.06007	9.5
139.11198	5.7
143.10681	64.0
145.10153	15.4
147.11691	22.4
149.13268	18.4
151.11186	9.1
159.11720	13.4
161.13261	8.5
163.07513	3.1
164.07846	3.3
167.14311	44.4
169.12231	7.3
173.13333	4.5
177.16367	21.8
195.17477	5.6
201.16396	17.5
209.08102	5.0
213.18523	10.7
219.17427	100.0
237.18559	20.3
299.06100	5.2
301.05847	7.5
311.12735	3.6
377.14294	2.8
425.19635	3.7
538.27527	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01856	3.7
55.05510	10.2
56.05028	5.2
59.04990	2.3
61.01122	2.7
67.05500	22.5
69.03422	16.2
69.07069	20.4
70.06593	25.1
71.05006	4.3
71.46311	2.3
79.05479	10.9
81.03420	9.3
81.07056	44.5
83.04992	6.1
83.08636	4.5
85.02904	30.7
85.06533	3.9
86.09712	7.5
87.00818	7.9
87.62623	2.3
91.05444	16.3
93.07038	39.0
95.04984	10.0
95.08604	38.7
97.02891	15.1
97.06541	6.9
99.04451	5.1
100.11269	15.5
103.05491	4.5
104.05331	7.6
105.01875	6.3
105.07024	32.8
107.08591	41.0
109.02872	5.8
109.06538	6.9
109.10157	64.3
110.07181	2.9
110.09676	3.8
111.08091	5.5
111.11730	3.2
115.05440	3.1
115.08703	3.6
117.07039	4.2
119.08582	29.8
121.06513	3.9
121.10147	25.2
122.03648	5.0
123.08024	2.5
123.11707	11.8
125.09628	6.9
127.03921	11.8
129.06998	2.5
131.04919	6.8
131.08572	7.7
133.10126	22.4
135.11702	23.2
136.07596	3.4
137.05975	100.0
137.09619	7.0
138.09106	3.7
139.11195	5.2
145.04961	5.8
145.06538	2.8
145.10144	26.1
147.08090	5.5
147.11688	10.1
149.06073	2.8
149.09650	2.8
149.13292	16.4
151.07605	5.8
151.11195	7.0
155.10678	7.4
159.02859	3.9
159.11708	20.2
161.06003	9.8
161.13268	11.3
163.07529	16.0
163.11227	6.5
166.08612	10.6
167.05571	3.7
173.11749	7.2
173.13129	4.9
175.06140	2.0
175.07535	49.2
175.14809	3.0
177.05394	2.8
177.09149	4.9
177.16414	5.1
179.14343	3.8
181.12259	9.4
187.07538	6.7
189.16377	9.4
190.05019	3.3
191.08589	3.9
191.18024	7.6
199.07541	6.1
201.16383	35.3
203.08617	3.6
207.17332	2.4
219.08031	4.5
219.17462	25.4
231.08101	3.8
237.18434	33.5
251.10593	4.6
255.19554	13.0
259.07541	2.9
260.10681	4.5
279.10278	7.6
283.11035	2.8
287.03708	2.8
291.10138	5.0
293.09018	4.5
299.06140	6.2
300.06302	3.9
301.05896	7.0
309.53174	2.8
311.12799	25.5
323.12677	15.1
325.14417	4.5
328.13409	2.7
331.15356	5.2
341.14420	3.4
506.18985	9.9
538.27545	37.8
539.19421	9.8
539.27844	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54814	3.1
55.05515	5.0
55.28061	2.7
57.03452	2.6
59.94545	2.6
63.42138	2.8
67.05519	8.8
68.99763	3.2
69.03439	10.8
69.07072	12.7
69.79295	10.7
70.06598	100.0
70.06988	5.0
71.05016	7.2
71.06936	12.0
73.02922	3.4
73.04747	4.9
79.05508	5.5
80.16224	2.8
81.03410	8.3
81.07063	15.7
83.08681	2.8
84.08176	3.4
85.02918	20.0
85.94193	2.5
86.09709	17.9
87.00849	8.7
91.05495	11.4
93.07066	21.9
94.06560	5.8
95.04996	5.6
95.08607	20.0
96.08139	6.0
97.02890	9.3
97.06552	5.9
98.06077	5.4
98.22826	5.4
99.04491	3.5
100.11292	5.7
103.05481	8.1
105.01897	8.7
105.03388	5.8
105.07001	15.1
106.03777	3.7
107.08608	17.4
108.08155	6.4
109.02889	4.8
109.06546	5.0
109.07632	5.5
109.10175	12.7
110.09711	11.4
115.08689	19.9
116.09101	3.6
117.07022	3.8
119.04977	5.5
119.08601	10.6
120.08135	20.1
121.10152	9.5
123.11677	3.7
125.09638	3.7
126.05516	3.1
127.03923	15.7
128.06255	3.4
131.04953	6.4
131.08562	4.0
132.25842	3.0
133.10161	9.1
135.11726	11.6
136.07613	7.2
137.05980	39.6
137.07022	4.7
138.06343	7.2
138.09123	13.9
144.04465	3.9
145.05014	5.6
145.10173	6.9
147.04495	2.9
147.11720	10.5
148.07605	4.5
148.52687	3.1
149.13261	19.0
151.03860	2.7
151.07538	4.3
151.11243	2.7
152.08188	7.1
154.08623	3.1
155.08124	3.8
155.10641	3.5
159.02846	3.9
159.11729	4.6
161.06018	3.5
161.13426	3.1
163.07605	4.3
165.09097	3.3
166.08652	32.6
167.05617	5.7
167.08598	3.5
167.14323	61.8
172.03949	23.9
175.07576	3.5
177.05516	6.2
183.14934	3.4
184.15419	3.7
190.05086	7.0
192.09059	3.0
201.05478	3.2
201.16422	6.1
203.18019	4.0
204.06558	31.2
209.15363	4.6
219.17445	9.1
223.07465	4.6
224.07867	5.4
236.10768	4.1
237.10365	4.1
237.18518	5.5
239.14714	3.0
253.09898	3.7
260.10580	3.2
261.18774	2.9
265.09744	6.3
279.11404	5.2
282.11221	4.9
283.11508	6.8
293.09171	5.3
299.06201	5.3
300.06143	2.9
300.14343	4.9
301.05978	12.5
307.10980	4.6
317.31287	2.7
325.11905	5.1
335.10559	3.5
341.10883	5.0
353.11301	5.7
357.14429	6.2
359.14990	3.8
384.46631	3.1
399.67084	3.1
425.18808	9.1
460.19421	4.0
488.18436	5.3
506.19473	17.0
538.27521	72.5
539.17865	9.0
539.27814	7.6
563.16089	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01726	0.2
55.05518	0.2
57.03417	0.2
67.05494	0.3
68.20650	0.1
69.07092	0.2
69.18587	0.4
69.19002	0.7
79.05494	0.6
81.07053	0.4
81.99950	0.1
88.57799	0.2
91.05473	0.2
93.07056	0.3
95.08598	0.5
98.22689	0.3
98.23381	0.5
98.69772	0.2
104.10765	0.2
105.06989	0.2
107.04942	0.1
107.08566	0.2
119.08582	0.3
124.80850	0.1
133.10199	0.2
145.10155	0.2
157.10188	0.3
173.62431	0.2
185.04253	0.5
197.05705	0.1
203.05261	0.8
238.33263	0.2
240.17992	0.2
247.12984	1.0
259.07932	0.3
275.19998	0.2
315.19257	0.5
332.71561	0.2
539.31921	100.0
540.32214	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.2
61.15836	0.2
63.90628	0.2
67.05514	0.3
69.14050	0.9
69.14458	0.3
70.81232	0.2
79.05497	0.2
81.04333	0.2
81.07054	0.2
96.51385	0.2
98.23233	1.0
102.14832	0.2
107.08573	0.2
119.08556	0.3
121.10191	0.2
134.56400	0.2
141.08984	0.2
158.48891	0.2
161.87532	0.2
315.19232	0.3
427.28104	0.2
481.65210	0.2
539.33411	100.0
540.33752	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05799	0.4
53.03939	0.7
55.01864	1.8
55.05475	0.5
63.93980	0.4
65.03938	2.2
67.05492	0.8
69.03417	0.8
69.13220	3.1
70.06588	1.1
72.08163	0.6
72.36984	0.5
75.04471	3.2
77.03911	1.2
78.04697	2.5
79.05477	2.3
81.07055	0.7
85.02898	4.1
87.04475	0.5
89.03922	0.8
89.06023	0.7
91.05484	9.5
93.03406	11.2
93.07045	5.2
93.96992	0.5
94.04166	0.5
95.04959	4.5
95.08587	0.5
97.02895	0.6
97.06533	3.0
102.56118	0.4
103.05466	5.2
105.03380	0.5
105.04485	2.2
105.07008	1.3
106.04171	23.2
107.04942	2.0
107.08572	0.5
109.06504	1.1
111.04445	0.5
115.03921	0.5
117.03379	1.4
119.04914	1.5
121.06504	28.2
122.03700	0.5
122.07286	0.5
123.04406	1.1
123.08057	0.9
123.08973	0.6
124.05235	0.6
125.05990	7.4
127.50142	0.5
131.04924	1.8
133.06453	1.1
133.10115	0.9
134.03638	3.2
135.04362	0.7
137.05968	6.6
138.06720	1.3
139.07533	2.4
145.02863	1.5
147.04396	0.8
148.05167	2.6
149.05974	41.1
151.03929	1.0
151.07541	2.0
151.11209	0.5
152.08298	0.7
153.05472	2.1
153.09094	10.5
153.10272	0.8
161.05949	1.0
163.03899	1.4
163.07549	2.0
166.06213	1.1
167.07135	2.6
175.07570	0.6
177.05461	20.8
178.05894	0.7
179.07013	1.3
181.08589	17.9
189.09129	0.5
191.06987	1.9
192.07910	0.6
193.08572	0.8
195.06561	0.6
209.08080	100.0
210.08444	1.5
211.09686	0.5
211.13295	3.6
219.10165	1.6
223.04207	6.0
260.00223	0.4
312.09055	0.9
325.29193	0.5
331.15488	0.6
349.08749	1.7
387.14694	0.6
540.22107	0.8
541.22534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01857	2.3
65.03925	2.0
67.05494	1.2
69.03432	0.7
69.44688	1.0
69.45096	1.7
70.06576	1.7
71.04971	0.6
73.97610	0.5
75.04474	3.2
76.20054	0.5
77.03925	0.7
77.96482	0.6
78.04705	2.1
79.05480	1.7
81.07062	0.6
85.02921	3.9
85.48229	0.6
89.03897	0.7
91.05482	9.2
93.03407	9.2
93.07053	4.1
95.04966	5.0
97.02856	1.0
97.06519	2.2
103.05468	4.7
105.03397	0.7
105.04485	1.2
105.07015	1.3
106.04168	23.3
107.04960	2.7
109.06486	1.1
109.10149	0.9
110.08430	0.6
111.04454	0.7
111.09223	0.6
112.48062	0.5
117.03369	0.8
119.04937	1.3
119.08599	0.6
121.06505	24.8
121.10106	0.6
123.04421	1.5
123.08064	1.0
125.05985	5.9
131.04903	2.1
133.04973	1.0
133.06503	1.0
134.03613	2.9
135.04366	1.2
135.08081	0.8
136.05154	0.6
136.73457	0.6
137.05949	6.3
138.06725	1.4
139.07549	2.6
147.04434	1.0
148.05164	1.5
149.05975	36.9
150.06313	0.6
151.03882	0.9
151.07565	2.2
152.08292	1.0
153.05458	2.1
153.09099	10.5
161.06020	1.2
163.03856	1.0
163.07532	2.7
165.05405	0.5
166.06226	1.3
167.07034	2.7
173.06017	0.5
176.82262	0.5
177.05466	20.8
179.07013	1.0
181.08589	17.1
184.10797	1.9
189.09018	0.8
191.07034	1.6
193.08643	0.6
193.15851	0.9
209.08080	100.0
210.08511	0.8
211.13258	4.2
219.10179	2.0
219.75021	0.5
223.04277	6.3
228.51819	0.5
275.03369	0.6
296.29355	0.6
312.09033	0.8
349.08850	1.6
401.15454	0.7
540.28876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
53.39222	2.0
57.44436	1.5
71.43869	1.9
78.58159	1.9
81.03426	4.9
85.02911	23.5
88.31313	1.9
94.84142	1.7
95.04967	17.3
97.02871	9.2
109.02898	4.2
116.60989	1.7
117.33564	1.7
123.04429	14.5
125.02358	4.9
127.03922	3.7
140.04689	85.1
145.04987	6.9
155.07037	37.8
163.05981	2.3
173.08142	3.1
180.08733	3.3
181.04953	17.2
199.06018	100.0
204.23822	1.8
236.41862	1.9
239.76161	1.8
337.42813	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62914	1.9
60.94728	2.6
62.26862	1.7
67.43989	2.6
69.73739	2.0
69.74067	7.0
75.75928	2.0
79.05500	5.4
81.03411	4.6
81.32759	2.1
89.62805	2.1
91.05490	6.8
96.82447	2.2
97.06517	2.2
105.03412	2.5
105.07022	3.3
107.04956	7.2
109.06541	2.9
113.02377	4.3
117.03407	3.3
117.07007	2.5
119.04987	2.2
127.03866	2.6
135.04413	4.6
137.05959	3.9
145.06509	4.6
146.07361	2.2
151.07535	100.0
157.04810	2.6
159.08232	4.2
163.03932	7.6
165.05550	3.5
165.07040	2.9
167.07062	3.0
169.04811	2.1
172.08806	16.2
173.05992	6.1
175.07553	4.1
177.09087	6.7
187.07552	2.6
188.08311	25.9
189.09096	14.3
191.08606	3.0
194.07246	3.4
195.08040	3.3
201.09093	18.9
203.10664	81.1
207.08078	8.9
208.08841	8.3
209.09639	5.3
210.10381	5.0
211.07613	2.6
215.06981	2.1
215.10709	6.3
219.08144	3.5
219.10123	3.7
220.08722	3.2
221.06233	2.3
221.09639	10.5
222.10411	6.3
225.09091	7.1
226.09892	5.1
227.10704	7.4
233.09744	3.6
234.10361	7.0
235.07504	6.7
235.11157	4.5
236.08417	4.1
236.11867	2.8
237.09209	5.5
238.09953	7.7
239.10713	15.5
240.11552	3.1
241.12199	11.9
249.09129	5.8
250.09871	8.9
251.10658	33.7
252.11362	7.8
253.12260	12.8
255.10405	2.2
255.13634	3.5
265.09238	4.4
265.12219	55.5
266.12570	2.8
267.10114	2.7
267.13760	10.2
268.10910	4.4
269.11734	9.2
275.12836	3.5
276.13089	3.5
278.09216	3.5
279.10147	15.2
280.11060	2.9
281.11792	3.3
283.13351	9.0
285.09857	3.7
293.11664	25.1
295.13257	6.9
296.10382	2.8
297.11264	14.8
299.12778	2.8
301.14313	5.7
301.94894	2.2
311.12723	38.0
315.16107	2.6
320.10187	2.1
321.11145	7.1
325.14349	67.1
327.15756	3.9
329.13922	8.0
338.74722	2.1
339.12265	12.7
343.15363	13.4
353.13821	20.9
355.15262	2.2
357.16986	5.1
371.14905	41.5
385.16418	32.1
389.15799	5.8
399.14487	4.9
403.17621	3.3
413.15915	8.3
421.18448	8.4
425.17868	2.3
473.62097	2.6
540.34949	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96212	0.6
69.03419	1.1
69.16640	1.4
69.17059	2.6
70.97192	0.5
71.65132	0.5
73.18662	0.5
81.03436	0.5
85.02910	3.3
91.05479	8.0
95.04986	2.1
97.02857	1.4
103.05457	1.6
105.07053	1.1
107.04950	1.7
109.06532	1.6
117.06999	0.8
119.04954	6.9
121.06499	1.8
122.03645	1.5
123.07993	0.5
128.06209	1.0
129.06987	5.1
131.04892	1.5
131.08557	1.7
133.06528	0.7
135.08051	1.9
136.05247	0.7
137.05980	31.0
141.07115	0.7
141.13753	0.6
143.04945	0.6
145.04991	1.0
145.06493	1.6
147.04402	0.8
149.05977	5.4
151.03995	1.1
151.07541	42.5
157.06483	5.5
159.08005	0.7
161.05980	3.7
161.09692	0.7
163.07547	10.1
165.07031	1.6
165.09120	1.7
167.08569	4.5
174.06734	2.9
175.07571	3.8
177.09145	1.7
178.07776	0.8
187.07419	0.6
189.09108	18.2
193.06523	1.0
193.10211	1.9
194.07272	1.0
195.08058	8.5
197.05896	0.9
201.09087	1.5
203.08615	0.9
207.08333	0.7
207.10092	3.0
209.09673	1.3
210.06793	1.1
211.07434	0.8
212.08250	1.5
219.10161	14.7
221.06075	3.0
221.09538	4.0
222.06572	0.6
223.07507	4.1
224.08330	1.5
225.09113	3.3
227.10649	14.1
227.12782	1.0
237.08989	1.3
238.06352	1.3
239.07101	0.7
240.07773	0.9
241.12138	0.6
249.09142	2.4
252.07805	0.6
253.08562	5.0
253.12228	6.1
255.10152	13.5
267.10132	2.0
269.08109	1.5
270.08633	0.7
272.10513	1.0
274.43912	0.5
281.11783	2.9
284.10370	1.1
285.11212	10.3
287.12772	27.4
297.11038	0.9
299.12683	1.9
301.14331	1.3
313.14331	26.8
314.14658	0.9
325.15237	0.6
331.15393	100.0
332.15689	1.8
343.15350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
54.47025	0.6
54.98084	0.6
56.06995	0.7
61.02917	1.3
61.34021	0.6
66.76665	0.6
68.84224	0.5
69.03416	1.7
69.51023	2.3
69.51432	1.3
75.03580	0.6
79.05473	0.8
81.03403	1.3
81.07037	1.0
85.02909	9.1
91.05480	7.8
95.04958	2.0
95.08615	0.8
97.02882	1.1
103.05515	0.7
105.07005	1.1
107.04943	1.2
108.16512	0.6
109.06513	1.3
111.04463	1.1
117.06984	1.1
119.04936	6.8
119.08560	0.7
121.06557	1.4
122.03627	1.5
123.08040	0.8
127.03905	1.6
128.06201	1.4
129.07011	4.9
131.04919	2.9
133.06464	1.1
135.08047	1.7
137.05966	34.2
145.04947	0.9
145.06482	1.2
147.04405	0.8
149.05957	5.4
151.07532	43.5
157.06479	4.3
161.05971	5.4
161.09651	1.3
162.94327	0.6
163.07538	11.0
165.07010	1.4
165.09146	2.6
167.08502	3.4
172.68669	0.7
174.06749	2.7
175.07520	2.2
177.09103	3.6
178.07729	0.8
179.08455	1.0
181.06535	0.8
181.10063	0.9
189.09094	14.1
193.06462	1.9
193.10124	2.7
195.08061	8.1
197.09502	0.8
207.10196	2.0
209.09570	1.5
210.06746	1.8
212.08296	1.7
221.06062	3.7
221.09590	3.3
221.11528	0.8
223.07545	5.1
224.08348	1.9
225.09073	3.2
227.10666	11.9
231.51749	0.7
237.09073	1.2
238.06122	1.2
239.07294	0.9
240.07805	1.9
241.12292	0.7
249.09079	2.7
253.08539	5.9
253.12251	6.2
255.10146	15.1
267.10190	2.5
269.07968	1.4
269.11777	1.2
272.10437	1.6
275.18661	0.7
281.11639	2.4
285.11157	8.9
287.12766	22.9
299.12836	1.1
311.12796	1.3
313.14313	21.5
331.15372	100.0
332.15778	2.6
343.15482	3.2
470.43414	0.8
502.42004	0.7
540.28650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.03424	0.4
64.02773	0.3
69.03419	0.7
69.69163	0.8
77.03949	0.3
79.05479	0.7
81.03439	0.8
81.07031	0.6
85.02892	2.6
91.05476	3.7
93.07048	0.7
94.04166	0.9
95.04949	1.0
97.02876	1.1
100.11256	0.3
103.05465	6.6
105.07042	0.9
107.04951	0.7
109.06504	0.6
115.05475	0.7
117.07012	2.2
119.04938	2.1
121.06503	1.4
122.03635	1.7
123.08058	0.9
127.03900	0.4
128.06192	0.7
129.06987	1.3
131.04922	16.1
133.06480	1.1
135.08064	1.3
136.05200	0.4
137.05975	28.2
138.06290	0.9
143.08553	0.8
145.04982	0.4
145.06453	1.1
146.07321	0.4
147.08064	0.5
149.05956	1.4
149.09602	0.6
151.06335	0.7
151.07542	14.1
157.06506	2.1
161.05989	2.2
162.06761	2.3
163.07536	40.2
164.07887	0.8
165.06987	0.6
165.09142	0.8
166.57079	0.3
167.07234	0.4
167.08420	1.5
171.08147	0.7
174.06775	1.0
175.07549	4.1
177.09100	100.0
178.09404	1.4
179.08539	0.4
189.09073	4.4
193.06470	0.6
193.10170	0.9
195.08037	2.5
195.09917	2.7
196.08804	0.3
199.07591	0.4
203.10701	0.6
207.10121	1.5
212.08255	0.5
219.10184	1.0
221.05969	1.1
221.09625	1.3
221.11693	16.6
222.06740	0.4
223.07541	1.2
225.09126	1.1
227.10635	3.4
237.18503	0.5
249.09120	0.8
253.08537	1.8
253.12239	1.4
255.10199	3.4
261.08917	0.4
265.08548	0.7
267.10190	1.0
269.08234	0.4
281.11594	0.4
285.11237	2.1
287.12766	7.0
299.12769	0.9
311.12665	1.4
313.14288	5.4
325.13501	0.3
331.15378	21.4
332.15536	0.5
334.23724	0.4
339.16003	0.3
343.15356	1.8
540.28210	0.8
541.22034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44762	0.4
55.01858	0.7
57.03423	0.4
57.84027	0.4
58.81178	0.4
69.03429	0.9
70.44707	0.4
72.17068	0.4
75.04456	0.4
78.00762	0.4
85.02912	4.0
91.05465	2.2
93.03396	1.4
93.07034	1.0
95.04955	1.2
97.02887	1.4
100.11259	0.9
101.11610	0.5
103.05454	1.2
106.04187	4.0
110.08419	0.5
115.05455	1.1
119.04987	0.6
121.06492	4.4
125.05984	1.5
127.03941	0.8
128.06209	0.9
129.06999	6.0
131.04951	1.3
131.08559	5.8
132.79291	0.5
133.06563	0.5
134.03635	0.6
137.05986	3.4
141.06984	4.4
143.04929	0.5
145.06442	0.7
147.30774	0.5
148.05188	0.4
149.05981	5.9
151.07523	1.0
152.70114	0.4
153.05484	1.2
153.09100	2.0
157.06477	6.3
158.07314	2.4
159.08058	6.2
161.09618	0.5
163.07550	1.3
169.06468	2.8
170.07274	1.3
171.04375	0.6
174.06755	11.6
175.07545	2.8
177.05428	3.4
181.08585	2.9
184.10828	1.2
186.06778	2.7
187.07544	0.6
188.08353	0.6
189.09099	23.2
191.07002	1.0
191.10667	2.0
201.09119	8.6
207.10196	1.4
209.08070	16.8
209.10048	0.9
219.10153	100.0
220.10439	1.5
223.04216	1.2
237.11221	1.0
268.28107	0.5
279.09787	0.4
381.15475	1.3
426.25766	0.5
466.32764	0.6
540.24310	0.4
540.27814	0.4
541.22620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98787	1.0
51.69294	1.2
52.16651	1.1
53.70947	1.0
58.06591	3.4
63.64807	1.0
69.03427	1.4
69.34034	2.0
69.34422	3.6
70.06586	2.0
74.83604	1.0
75.40211	1.2
79.05477	1.6
79.61584	1.0
81.03427	1.6
81.07034	1.6
85.02903	4.8
91.05476	6.8
93.07072	2.0
95.04986	1.5
97.02899	3.7
99.04462	1.7
100.07635	1.8
100.11265	3.3
103.05467	2.6
105.07023	2.5
107.04957	1.8
109.02866	2.9
117.10268	3.4
119.04929	4.5
120.08131	2.2
121.06532	1.8
122.03615	2.1
127.03922	3.9
128.06221	1.8
129.06999	8.7
131.04897	2.6
131.08578	5.1
135.08014	1.3
137.05971	21.4
138.06377	1.5
141.07013	4.3
142.85185	1.0
145.06523	1.5
149.05975	2.1
150.07654	1.6
151.03983	1.8
151.07547	21.8
157.06482	6.4
158.07307	2.1
159.08044	5.4
161.06010	5.5
161.09671	2.5
163.07533	7.1
167.08516	1.2
169.06572	2.7
174.06761	12.2
175.07585	3.1
177.09117	3.8
184.10788	1.2
189.09096	29.6
190.09485	1.2
193.06465	1.3
195.08051	4.0
201.09094	8.6
207.10135	1.6
219.10153	100.0
220.10500	2.9
221.05881	1.5
221.09595	1.6
225.09122	2.5
227.10655	8.3
237.11308	1.5
249.09137	1.7
249.61012	1.2
253.08627	3.0
253.12318	2.7
255.10120	7.5
267.06396	1.1
267.10013	1.8
272.10400	2.1
285.11246	5.7
287.12766	13.8
313.14301	13.4
331.15372	50.8
343.15381	1.8
361.16489	3.2
512.28833	1.8
539.28241	1.6
540.28473	12.1
540.41107	2.4
541.22205	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01867	1.2
58.84389	0.8
59.16410	0.8
61.02925	1.5
69.03416	3.7
69.88529	3.2
70.06594	1.6
72.90257	1.0
77.03944	0.9
79.05492	4.7
81.03412	1.6
83.58648	1.2
85.02901	9.7
85.46511	0.8
91.05478	3.6
94.04173	2.1
95.04961	1.4
95.98864	0.9
97.02879	3.0
98.22794	1.1
103.05464	8.2
105.03410	1.4
105.07017	6.2
107.04965	2.3
115.05465	1.7
117.07001	0.9
119.04940	1.1
121.06487	4.1
122.03639	3.7
123.04402	2.1
127.03908	2.0
128.06200	1.4
129.07028	1.9
131.04919	19.4
131.08437	1.1
133.06483	38.1
135.04413	100.0
135.08028	5.5
136.04846	1.0
137.05972	76.9
138.06293	1.2
139.03850	1.4
143.04906	1.1
143.08565	2.5
145.04982	2.2
145.06505	4.3
147.08037	2.2
149.05969	8.6
151.03897	3.3
151.07518	12.6
151.40106	1.0
157.06496	3.1
161.05975	22.5
163.07539	27.8
171.08058	4.3
173.05977	2.6
174.06686	1.2
175.07559	2.8
177.09068	2.6
185.05963	1.0
187.07487	2.4
189.09088	6.7
201.09090	4.1
203.10590	4.5
205.08603	1.3
207.10175	1.3
221.11700	1.8
233.11681	3.1
235.11147	2.8
245.09552	1.2
263.10730	2.1
293.11716	15.3
295.13226	7.0
297.14932	1.0
307.13202	2.3
312.75278	0.9
325.14328	58.4
326.14392	1.8
336.90308	1.0
343.15439	7.7
422.55136	1.0
467.31741	1.0
523.19409	1.1
540.17078	2.0
540.29114	1.6
541.20911	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73836	0.7
54.06428	0.8
55.05498	1.0
55.79029	0.8
57.07066	8.2
58.06596	8.5
67.05493	1.7
69.07038	1.8
70.06583	5.6
70.71833	1.0
71.08628	3.4
81.07062	1.1
83.08595	1.0
85.10187	1.5
88.07622	6.6
89.06039	2.9
95.08599	1.6
100.11244	100.0
102.09148	5.7
109.10223	1.0
133.08665	1.2
256.26318	13.2
274.27325	1.2
281.13443	0.8
282.27878	6.2
283.26346	3.8
284.29495	4.2
302.30740	1.0
310.27368	29.5
311.29440	13.5
325.52094	0.8
327.20166	1.3
341.68008	0.8
540.53491	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51565	2.2
57.07063	5.9
67.05506	3.9
69.07073	3.2
70.06597	4.7
74.99456	2.3
79.05466	3.3
81.07059	3.2
86.09699	100.0
88.07632	8.2
91.05482	5.2
93.07047	4.0
93.54793	2.4
95.08594	4.9
102.09193	9.3
103.21222	2.3
118.33926	2.6
121.10139	2.8
141.62576	2.6
146.11742	43.9
256.26309	12.9
274.27625	3.8
283.26135	5.4
284.29401	5.8
311.29446	18.2
408.67593	2.6
429.27792	3.1
540.53387	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2048
Annotation	Pilosanol A
Peak:m/z	Relative Intensity
54.30516	0.6
56.96549	0.9
70.58341	1.4
73.15993	0.6
76.39149	0.5
87.04438	0.7
89.76311	0.6
91.05483	0.7
93.07019	0.8
110.97573	0.8
125.70296	0.6
128.98633	0.8
129.06990	0.8
136.42740	0.6
164.16309	0.6
177.56941	0.6
201.05663	0.7
202.12613	0.6
217.54979	0.6
223.10072	0.9
237.02933	1.1
281.17584	1.9
297.49902	0.7
344.68732	0.6
367.14291	2.5
453.14984	1.7
455.13943	1.0
455.19553	3.9
479.20502	1.0
497.21317	17.0
505.18378	2.3
523.19330	11.3
541.20404	100.0
542.20532	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.1
59.05804	0.9
61.82471	0.9
62.52089	1.0
68.40344	0.9
70.06578	2.5
72.08151	1.8
77.54213	1.1
81.07065	2.1
84.95996	1.2
86.09691	1.1
91.05454	1.6
93.07042	1.6
95.08601	1.7
98.47925	1.1
98.97586	8.7
100.11238	4.2
105.07056	1.1
105.88599	1.1
107.08574	1.2
116.98606	4.5
119.04916	1.1
119.08598	1.1
120.08075	1.7
121.02848	1.2
129.06932	1.0
131.00229	1.3
134.99725	1.4
137.05951	4.8
151.07516	1.4
158.99684	4.2
168.06554	1.2
177.00734	2.8
189.09090	1.3
207.06796	1.4
209.16507	1.3
219.01743	3.6
225.08035	3.0
229.67822	1.0
237.02837	3.0
243.09218	1.8
249.07805	1.4
275.13214	1.4
277.17761	3.4
289.05688	1.5
293.17294	1.7
303.00958	3.8
305.02765	2.2
369.12167	4.4
379.08044	1.2
379.12567	2.4
429.14453	5.0
437.18298	6.1
455.19177	5.1
497.21759	10.8
523.19934	5.2
540.44666	3.5
541.20667	100.0
541.29669	15.7
542.20764	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2052
Annotation	Methyl aloesinyl cinnamate
Peak:m/z	Relative Intensity
51.67299	1.0
56.96559	6.3
57.69960	0.9
69.07030	1.0
70.73617	1.0
71.38367	0.9
84.96025	1.2
98.97585	6.3
104.05780	1.1
105.07040	1.0
116.98600	1.6
124.07552	1.0
128.98720	1.0
135.04387	3.8
136.04749	1.6
137.05969	1.1
138.39624	1.0
141.02278	2.7
158.99724	1.9
159.03313	3.0
167.07002	1.7
177.00677	1.5
203.51489	1.0
204.06569	1.5
223.10101	6.0
241.11082	5.8
265.11078	1.9
275.13257	2.7
293.14359	2.8
303.01257	1.1
326.12070	1.3
335.15256	12.3
367.14114	1.4
377.16232	1.4
408.77835	1.0
409.15424	2.2
437.18649	3.3
453.15369	3.6
455.20062	1.4
479.20337	1.3
497.21301	11.1
505.18378	2.6
523.19379	20.3
524.20001	1.3
541.20526	100.0
541.29553	11.6
542.20648	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
56.96557	4.5
69.03424	4.0
69.21393	7.2
70.06590	2.1
71.05001	1.3
75.70329	1.1
79.05483	1.5
79.41949	1.3
81.07039	1.3
85.02896	4.7
91.05466	1.4
96.30869	1.4
98.23540	2.2
98.97592	6.6
100.11235	1.9
103.05443	4.5
103.32748	1.5
104.05786	2.2
105.07036	3.4
105.96143	1.3
106.07378	1.5
113.18178	1.1
116.05824	1.4
116.98640	2.3
117.07106	1.3
118.98991	1.1
121.06502	2.5
121.10137	1.3
122.06837	2.2
131.00192	1.6
131.04956	6.9
132.05260	3.0
133.06487	14.5
134.06812	5.9
135.04410	41.6
135.08075	1.2
136.04744	15.3
137.05969	37.5
138.06316	15.0
143.04890	1.5
145.06435	2.3
149.05962	2.7
150.06259	2.1
151.07553	5.6
152.07913	3.0
157.06528	1.4
158.99666	1.8
161.05908	7.2
162.06294	4.1
163.07547	9.1
164.07860	6.3
171.08051	1.7
177.00758	1.7
189.09148	2.8
190.09462	2.8
201.09195	1.4
204.10963	2.0
219.01817	1.5
223.10077	2.7
236.11566	1.4
236.76532	1.5
241.11166	2.8
275.13162	3.0
275.15967	1.8
285.10513	1.3
293.14493	2.7
294.12054	5.0
295.13055	1.8
296.13635	2.4
303.01166	1.3
305.02704	2.0
325.14227	9.4
326.14691	21.9
335.15256	7.0
344.15964	3.5
376.02048	1.3
437.18307	4.5
455.22403	3.8
477.11578	1.3
497.22272	12.8
523.19354	12.7
541.20764	100.0
541.29895	14.4
542.20941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3137
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
53.43912	0.5
59.14942	0.4
69.28661	2.3
90.49140	0.4
94.80541	0.4
98.22681	1.0
101.15358	0.5
108.10866	0.4
118.38296	0.4
121.44299	0.4
142.34843	0.5
228.91118	0.4
315.19495	0.6
325.14078	6.2
326.14804	1.8
345.13785	0.5
349.55356	0.5
392.29358	0.5
454.23267	1.4
479.31186	5.1
523.30267	100.0
524.30658	4.6
541.31335	72.2
542.31641	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62703	0.4
54.06274	0.5
55.05489	0.8
67.05511	0.6
69.07090	0.5
69.72636	0.6
69.72987	1.6
70.06561	0.5
73.23235	0.5
78.05891	0.5
81.07070	1.1
93.07072	0.6
106.23599	0.5
167.92653	0.4
185.04207	0.5
203.26189	0.6
256.26367	0.7
540.53473	1.8
541.33502	100.0
542.33887	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87324	0.3
69.99207	0.8
69.99534	0.4
88.07594	0.4
98.10336	0.3
136.11665	0.3
335.64917	0.4
485.32120	0.4
503.55423	0.4
540.53296	0.7
541.33453	100.0
542.33862	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90034	0.6
55.01874	0.9
57.03425	0.8
65.03920	0.7
69.03422	2.1
70.06590	1.4
70.51437	0.8
70.51774	1.6
72.09599	0.7
79.05487	1.9
82.23954	0.7
85.02898	6.2
86.09686	0.7
91.05499	3.1
93.03414	0.8
93.07039	1.1
94.04189	1.6
97.02892	1.5
98.22802	0.8
103.05465	6.1
105.04556	0.8
105.07026	4.7
106.04182	1.4
107.04958	1.3
109.02927	0.7
109.06503	1.4
117.07061	0.9
121.06508	4.7
122.03650	5.7
123.08149	0.8
125.06045	1.4
127.03962	1.1
128.06281	0.7
129.07076	1.7
131.04929	7.6
133.06500	17.6
135.08049	5.9
137.05984	100.0
138.06398	1.5
143.08530	0.9
145.06505	3.4
147.08049	1.3
149.05991	5.7
150.06267	0.8
151.03912	1.0
151.07574	5.8
152.04399	1.0
157.06450	1.3
161.05966	0.9
163.07555	28.9
165.09129	1.0
167.06889	0.9
171.08054	2.2
174.06807	3.0
175.07430	2.7
177.05478	3.3
177.09067	1.6
181.08716	1.1
183.51932	0.8
188.08286	0.9
189.09113	5.4
190.09416	1.1
193.08626	4.3
193.35919	0.7
201.09183	1.0
203.10736	5.9
209.08078	8.2
210.08566	1.4
211.09778	8.3
219.10089	6.3
220.10577	5.7
221.10774	2.9
223.04164	1.0
263.10696	1.6
295.10590	0.5
295.13269	17.9
327.15897	28.0
345.16986	1.2
382.01749	0.8
385.93765	0.8
542.22729	4.1
542.31342	1.2
543.23822	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12551	0.3
55.01869	0.3
69.03419	0.6
69.41275	1.7
70.06605	0.5
79.05486	1.4
81.03414	0.4
81.07049	0.8
85.02885	0.9
86.09727	0.5
86.40993	0.3
91.05506	2.4
94.04163	2.3
95.04977	0.8
98.22744	0.5
103.05460	5.5
105.07035	4.1
107.04958	0.6
109.02944	0.4
109.06515	1.3
117.07018	1.0
119.05006	0.3
121.06525	2.3
122.03648	6.2
122.81871	0.4
123.08035	0.7
128.06233	0.7
129.07065	0.4
131.04936	8.1
133.06499	16.3
135.08061	5.3
136.05244	0.4
136.07587	2.9
137.05983	100.0
138.06319	0.5
143.04932	0.7
143.08548	1.6
145.06470	2.9
147.04424	0.3
147.08055	1.2
149.06006	1.1
151.07559	5.7
157.06514	1.6
159.08020	0.4
160.05205	0.5
161.06059	0.5
163.07552	26.3
165.09125	0.8
171.08086	1.9
171.23521	0.3
174.06770	0.8
175.07533	1.5
177.09131	1.3
179.16209	0.3
187.07570	1.0
188.08337	1.0
189.09123	2.6
203.10646	4.8
217.10199	0.5
221.11748	0.7
235.11035	0.8
245.09581	0.6
248.08243	0.5
263.10638	2.2
277.17636	0.7
281.11273	0.6
289.05267	3.4
290.05948	0.4
295.13281	12.5
327.15918	25.7
328.16284	0.5
345.16885	1.8
394.19711	0.8
505.09927	0.4
539.76831	0.4
542.22815	2.4
542.30096	0.5
543.24146	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
56.05042	1.2
57.03430	0.7
57.07080	0.2
58.06602	0.8
60.07873	0.3
60.08167	5.5
67.05159	0.3
67.05508	4.4
69.07069	2.0
69.67362	0.6
71.07379	3.9
72.73486	0.2
79.05508	1.4
81.07063	4.7
83.08638	1.1
86.09711	21.0
91.05482	0.7
93.07055	1.7
95.08605	3.3
97.06505	0.2
97.10163	0.4
98.22707	0.2
98.23264	0.4
98.98470	0.2
104.10748	100.0
105.07024	0.6
105.11082	0.6
107.08591	0.9
109.10168	1.3
119.08600	0.5
121.10155	0.6
123.11706	0.5
125.09593	0.2
133.10138	0.4
135.11678	0.4
146.98184	10.9
147.11688	0.4
161.13239	0.3
164.99258	0.2
176.99321	0.6
188.95802	0.2
263.11322	0.2
289.37341	0.2
337.27304	2.2
380.69376	0.2
439.22177	0.7
439.84052	0.2
483.24841	41.2
484.25177	1.3
514.30499	0.2
542.32190	20.9
543.32574	1.3
550.48907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37799	0.7
52.88171	0.6
67.32394	0.5
78.43472	0.5
78.86193	0.5
79.27810	0.6
94.93040	0.9
112.89604	4.0
114.89346	2.0
134.20753	0.6
145.38344	0.6
188.89694	0.6
195.20680	0.8
363.06686	0.8
381.07895	7.5
387.29831	0.7
389.67813	0.6
394.98004	1.7
488.60443	0.7
543.13184	100.0
544.13501	3.6
544.20728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94476	0.6
52.87876	0.6
69.80195	2.0
73.75882	0.5
80.08254	0.5
80.16112	0.6
145.02753	0.7
176.53113	0.6
177.05518	1.0
381.07916	13.8
381.12595	1.0
543.13208	100.0
544.13873	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01859	0.3
57.03442	0.7
59.55043	0.1
61.02931	1.0
61.85731	0.1
67.05492	0.2
67.71016	0.1
69.03074	0.2
69.03429	3.5
69.37778	0.3
69.38176	0.2
71.04973	0.5
73.02875	0.4
81.03422	1.3
85.02906	6.9
87.04437	0.4
88.69228	0.1
91.03920	0.4
93.07067	0.1
95.04939	0.1
96.04382	0.1
97.02890	2.5
99.04440	0.6
105.06932	0.1
106.36304	0.1
109.02871	0.8
117.22246	0.1
123.58883	0.1
127.03928	1.1
145.04930	0.8
149.02345	0.3
165.05463	0.3
176.06252	0.2
178.07787	0.6
189.07014	0.5
190.07791	0.2
191.08565	0.2
198.79451	0.1
203.06920	0.2
204.05922	0.2
205.06429	1.3
206.07303	2.1
207.08043	0.6
208.08904	0.3
216.05692	0.4
217.06512	0.3
218.07204	0.5
219.04411	0.3
219.07997	0.9
220.05190	0.3
220.08896	0.4
221.05865	0.3
221.09650	0.2
222.06665	0.2
223.07433	0.1
232.05222	0.4
233.05934	2.3
234.06752	5.4
235.07484	1.7
236.08395	0.6
239.10568	0.3
244.05200	0.3
245.06018	0.2
246.06647	0.7
247.07594	1.2
248.04489	0.2
248.08336	1.4
249.05498	0.3
249.09109	3.3
251.07057	0.5
251.10701	1.1
252.07809	0.2
253.08432	0.2
260.04660	0.2
261.05429	1.1
262.06284	2.8
263.04303	0.2
263.07034	3.0
264.07907	1.3
265.05936	0.2
265.08514	0.8
266.05984	0.1
266.09412	0.4
267.10129	0.4
273.05389	0.2
274.06204	1.1
275.04178	0.2
275.06876	1.0
276.07825	1.1
277.08594	14.2
278.06125	0.3
278.09329	1.5
279.06784	0.4
279.10104	3.0
280.07361	0.3
289.04984	0.6
290.05759	1.1
291.06516	3.9
292.07315	1.2
293.04996	0.2
293.07962	0.7
294.08875	0.7
295.06470	0.2
295.09439	0.7
302.05829	0.3
303.06525	0.3
304.04019	0.2
304.07129	0.7
305.08066	15.2
306.08618	1.0
307.05960	0.4
307.09579	2.9
309.07816	0.2
309.11206	2.3
318.05249	0.4
319.06058	3.9
319.09756	0.3
320.06647	0.9
321.07602	0.4
323.09103	2.3
325.10699	0.5
333.07568	18.7
334.08017	0.5
335.05661	0.2
335.09113	4.0
336.06183	0.3
337.10684	6.8
338.11362	0.2
349.07156	0.6
351.08636	10.0
352.09128	0.2
363.08618	14.9
364.09045	0.4
366.07416	0.2
374.10403	0.3
381.09668	100.0
382.10049	2.2
446.36115	0.2
543.15051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1498
Annotation	Cleistanthin B
Peak:m/z	Relative Intensity
55.01873	0.6
56.96566	0.3
71.46258	0.4
83.08673	0.3
85.02911	0.3
107.01312	0.9
109.02869	0.4
137.02325	6.6
165.06982	0.5
176.06206	0.5
177.06970	0.4
178.07840	0.4
179.08556	0.3
181.06517	0.4
189.07036	0.8
190.07753	0.6
191.08615	0.5
204.05734	0.8
205.06485	2.5
206.07306	0.7
207.08037	1.3
208.08832	0.8
218.07245	0.9
219.08037	1.9
220.08788	1.9
221.05875	1.4
221.09563	0.6
223.07634	0.6
225.09058	0.4
233.05934	1.2
234.06718	1.5
235.07541	3.3
236.08275	2.7
246.06740	0.6
247.07500	4.1
248.08345	4.0
249.05489	1.2
249.09091	4.1
251.06975	0.5
251.10640	2.3
253.08583	0.7
261.05402	0.5
262.06244	1.2
263.07037	9.2
264.07800	7.1
265.08615	1.8
274.06265	0.5
275.07056	5.8
276.07785	2.0
277.05185	0.7
277.08585	1.2
277.48608	0.3
278.05856	0.3
278.09137	0.3
279.06729	1.6
279.10126	22.0
280.07211	0.4
280.10303	0.4
281.08237	0.5
291.06485	5.4
292.07333	1.9
293.04788	0.5
293.07730	1.5
295.09399	1.5
295.15665	0.6
304.07315	0.6
305.08054	2.1
306.08826	5.4
307.06308	1.0
307.09598	25.2
308.10037	0.5
319.05966	2.1
319.09662	1.7
320.06790	3.1
321.07526	0.5
322.08163	0.4
323.09100	7.5
332.06680	0.4
333.07712	0.7
337.10663	24.3
338.11111	0.7
349.07022	0.4
351.08685	2.8
363.08600	0.8
381.09650	100.0
382.09949	2.7
457.21109	0.5
499.21768	0.6
543.21918	2.8
543.29956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1993
Annotation	Vestitol-(4->5')-vestitol
Peak:m/z	Relative Intensity
69.55379	16.6
113.17571	4.7
114.75266	5.7
188.93607	6.5
282.57339	5.4
338.32712	6.3
466.91446	5.6
543.19928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2199
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
69.57394	1.5
78.76446	0.4
92.69822	0.6
106.95638	0.4
109.06528	0.5
113.66898	0.5
117.01063	0.4
119.08486	0.4
136.05219	0.5
151.07498	4.6
154.06300	1.1
155.92256	0.5
169.08537	0.5
176.58844	0.4
182.05782	1.0
193.08548	0.5
197.08138	6.8
205.85893	0.4
217.12193	0.8
219.06316	0.6
232.72128	0.5
337.67065	0.5
381.02768	0.5
423.17618	0.5
441.18823	1.0
483.19818	8.2
528.19684	1.2
543.21985	100.0
544.22351	3.3
553.95746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.5
69.79685	1.5
77.11401	0.4
79.05505	0.5
81.07054	0.5
93.07053	0.7
94.92815	0.4
95.08622	0.5
98.22742	0.8
107.04951	0.8
117.06984	0.4
121.10148	0.4
124.05249	0.6
126.83780	0.4
139.07558	2.2
148.05170	0.6
151.07535	9.7
165.09062	0.5
166.06271	0.5
167.07086	0.7
176.08290	0.5
181.08606	2.3
188.08241	0.4
189.05286	0.7
189.09119	0.8
198.15045	0.4
203.10585	0.5
207.10216	0.5
219.10249	0.4
291.50589	0.4
346.74100	0.4
441.18893	1.3
453.19080	0.6
483.19867	3.9
528.19336	0.7
543.21997	100.0
544.22235	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2206
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
54.41764	0.4
56.36784	0.3
57.77111	0.3
62.33634	0.3
80.06292	0.3
81.07053	0.5
91.05492	0.5
107.04972	0.9
114.05560	0.8
136.05235	0.7
137.05928	0.4
138.06783	0.8
142.05016	0.4
148.05193	0.7
151.07549	9.7
151.08742	0.6
154.06258	0.6
165.05646	0.4
165.09145	1.0
166.06288	2.4
169.08635	1.0
170.09766	0.4
172.08812	0.7
174.10397	0.5
177.09155	0.8
181.08598	8.7
184.08826	0.5
186.05560	0.6
188.08394	1.2
189.09155	1.0
195.10268	0.9
203.10661	1.8
205.04764	0.9
205.12263	0.9
207.10138	0.6
215.10719	1.1
219.10118	0.6
228.01974	0.4
232.06125	0.8
233.11729	3.5
238.36334	0.4
241.82341	0.4
259.60608	0.5
263.12762	0.8
299.32791	0.4
320.45642	0.4
393.24594	0.7
410.25381	0.7
411.25888	1.4
441.18906	1.1
483.19876	6.4
484.20316	0.6
543.22040	100.0
544.22333	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97796	1.5
81.07027	0.5
91.05473	0.6
116.07076	0.5
150.43062	0.5
151.07529	4.5
161.06012	0.5
165.09288	0.7
166.06239	1.2
167.41797	0.4
169.08626	1.7
181.08588	5.1
189.09077	0.6
201.09169	0.7
203.10669	0.6
205.04713	0.9
215.10695	0.7
441.18900	1.4
483.20062	3.2
543.21997	100.0
544.22345	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2213
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
52.45933	0.5
125.19181	0.5
151.07497	0.9
167.07048	4.5
181.08615	3.7
187.39690	0.5
189.05286	1.3
218.12244	0.6
319.95151	0.6
441.18411	0.7
483.20047	2.7
528.19983	0.7
543.22021	100.0
544.22223	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45933	0.5
125.19181	0.5
151.07497	0.9
167.07048	4.5
181.08615	3.7
187.39690	0.5
189.05286	1.3
218.12244	0.6
319.95151	0.6
441.18411	0.7
483.20047	2.7
528.19983	0.7
543.22021	100.0
544.22223	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2412
Annotation	Sarcaglaboside D
Peak:m/z	Relative Intensity
52.10862	0.7
69.03427	1.0
75.47401	0.7
79.05488	1.5
81.03431	1.2
81.07051	2.1
85.02898	1.3
86.09673	1.1
91.05477	1.6
93.07056	1.1
97.02922	0.9
122.03642	0.9
137.05965	2.7
145.10226	1.0
151.04042	0.8
165.05460	4.1
177.05435	1.2
183.06607	1.7
197.08078	0.9
219.09929	0.8
225.13289	1.4
227.05309	1.0
227.21622	0.8
243.04820	3.0
245.06355	0.9
277.17801	3.5
287.03748	2.9
289.05420	0.9
295.18747	3.2
351.79379	0.8
411.19983	3.5
421.21939	1.9
439.23019	4.2
455.18884	8.3
457.17514	1.2
457.23953	4.8
463.23102	2.9
481.23965	11.7
499.25211	11.6
507.22043	11.6
525.23071	39.9
526.23975	1.8
543.24109	100.0
544.24420	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19819	0.5
65.75961	0.5
69.07048	0.9
69.16445	1.8
69.16874	1.7
70.06567	0.7
71.04962	2.0
73.27338	0.5
76.46680	0.6
79.05450	0.8
81.07017	1.4
86.09709	1.1
91.05452	0.8
93.07004	0.9
95.08600	1.5
97.02905	0.6
97.06470	0.6
105.07018	1.5
107.08564	1.7
109.10160	1.0
121.06541	0.6
121.10071	0.6
122.03629	1.2
126.99958	0.7
131.04967	0.8
133.06444	2.4
133.10052	0.6
133.20392	0.6
134.06715	0.9
136.07558	3.2
137.05972	13.4
137.07896	0.8
138.06302	6.1
151.07558	1.0
163.07536	3.7
164.07915	1.8
185.04135	0.7
203.05247	2.5
207.13512	1.0
217.33339	0.6
227.05264	1.1
245.06322	7.7
271.04382	0.6
277.17737	29.9
279.19461	2.7
287.03754	3.7
289.05283	85.0
290.05560	1.7
295.13461	0.9
295.18768	1.7
296.13602	1.2
327.15787	0.9
328.16125	3.2
385.82700	0.6
395.20032	0.7
416.18094	0.6
499.25122	7.5
525.22894	1.1
543.24054	100.0
544.24377	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39734	0.4
60.87787	0.4
62.17927	0.5
67.05495	0.7
69.03444	0.7
69.07069	0.5
69.99284	1.5
70.06602	1.7
72.08167	0.7
76.15660	0.4
79.05505	0.7
80.52769	0.4
81.07067	1.0
84.08153	0.6
85.02900	0.9
86.09724	2.0
91.05524	0.6
95.04955	0.5
95.08595	0.6
97.02891	0.4
105.07062	0.8
120.08146	0.6
129.10269	0.7
137.06020	1.6
163.11282	0.4
203.05331	0.8
227.05327	0.5
243.04999	1.0
245.06374	2.0
277.17831	4.3
279.19336	3.9
283.15457	0.9
287.03723	4.3
289.05313	8.7
295.18845	5.3
377.02216	0.8
439.23001	1.5
457.24170	2.9
481.24258	1.7
499.25183	11.9
525.22913	4.8
543.24213	100.0
544.24500	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
57.58097	1.2
63.29943	1.2
67.05509	3.5
69.07078	2.2
69.13382	4.5
69.13805	3.6
73.06507	1.1
75.01000	1.2
79.05506	3.2
81.07061	3.3
83.08622	1.5
83.42034	1.1
84.57674	1.2
91.05499	3.7
93.07065	2.7
95.04978	2.3
95.08633	1.7
97.10172	1.3
105.07040	3.6
107.08607	2.3
109.10203	1.5
114.67480	1.2
119.08593	1.3
121.10254	1.2
131.08566	1.7
145.10136	1.6
159.11777	1.4
163.11179	1.5
185.04236	1.5
197.13370	1.3
233.15379	2.7
269.61023	1.2
275.19913	3.2
452.42017	1.2
453.70230	1.4
485.20221	2.5
543.35052	100.0
544.35187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15799	1.9
51.16732	1.7
55.01861	4.4
57.30962	1.6
65.03938	1.6
69.03416	7.3
69.66920	6.9
70.06583	8.1
72.08152	3.9
79.05470	3.2
81.03400	3.9
85.02901	9.0
86.09698	7.0
91.05475	8.1
95.04957	1.8
97.02889	5.6
103.05463	28.6
103.38445	1.6
105.07031	5.8
107.04940	2.9
109.06535	2.7
110.07198	2.2
115.04041	2.0
119.04959	5.3
121.06509	9.4
122.03632	2.2
123.04424	9.6
127.03922	3.6
128.06158	1.8
130.04134	3.6
131.04929	94.6
133.02852	7.9
133.05034	2.6
133.06494	7.1
135.04399	4.4
137.05971	60.9
147.04402	52.1
147.08066	9.7
149.05986	25.8
150.06706	6.0
151.07538	19.9
153.05421	2.9
157.06479	2.7
161.05988	11.8
162.06763	15.7
163.07533	100.0
167.06995	5.5
175.07520	30.4
177.05487	6.4
179.07039	8.8
185.06001	1.9
187.07596	2.7
191.06952	3.7
193.08591	46.3
195.08022	2.3
205.08612	9.4
213.09177	2.1
253.08701	2.0
271.09610	6.9
283.09515	2.6
297.11386	4.7
299.12753	11.8
311.12720	2.1
317.13852	36.9
329.13818	6.6
544.24597	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01874	2.2
55.05507	3.0
57.03435	24.3
58.06595	2.5
59.04993	2.7
60.04510	3.5
61.02925	7.5
67.05508	1.7
68.13747	1.1
69.03428	75.3
69.07058	2.0
69.80615	2.6
69.80997	3.0
70.03717	1.3
70.06581	5.5
71.01353	2.7
71.04987	2.0
73.02916	30.2
75.05672	1.4
79.05478	1.5
81.03421	7.2
83.04963	2.3
83.08630	3.4
85.02904	66.2
86.09695	4.3
87.04462	37.2
91.03944	2.4
95.04942	2.4
95.08632	1.5
97.02888	95.5
97.06497	2.0
99.04471	6.5
103.03931	2.4
103.05452	1.9
104.24632	1.5
109.02884	4.3
111.04429	3.6
115.03929	100.0
123.04396	3.5
127.03908	18.4
133.04962	74.3
139.03847	4.7
145.04942	21.6
147.04309	1.4
149.06078	1.5
150.07605	10.9
151.03949	2.5
157.04936	7.1
157.79208	1.3
161.04521	1.8
163.05986	7.8
169.04961	2.8
175.06023	2.4
193.04980	3.3
200.52773	1.4
211.05954	9.8
223.06073	3.8
227.12808	1.3
229.07051	20.0
233.14003	1.7
241.07123	6.3
247.08208	11.8
259.08124	10.7
263.14868	5.6
265.09189	19.3
277.09143	1.8
290.05859	1.4
291.52881	1.3
295.10291	18.7
317.74069	1.3
322.45923	1.4
364.17657	2.6
371.12354	1.8
382.18408	5.8
429.85968	1.3
437.48956	1.4
500.25339	3.2
526.23138	2.7
544.16125	2.3
544.24298	31.6
549.13367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49954	0.6
53.03933	2.0
55.01853	0.9
57.03421	3.0
61.02925	4.9
67.05496	1.0
69.03068	0.8
69.03428	14.0
69.63608	2.3
71.04985	1.2
75.04472	1.6
75.93265	0.6
79.05479	0.7
81.03427	4.8
81.07050	1.3
83.01325	0.8
85.02900	31.2
87.04464	1.7
89.03927	0.6
91.03953	2.1
91.05499	0.9
97.02335	0.9
97.02894	10.2
97.06505	0.7
99.04448	1.9
100.11285	0.6
105.07029	1.5
107.08518	0.8
109.02856	3.5
109.06502	0.7
109.10162	0.9
117.03313	1.1
119.08582	1.0
127.03909	5.3
133.10175	0.6
137.05896	0.8
145.02844	3.0
145.04936	4.3
147.11671	0.9
162.16817	0.7
177.05460	7.1
195.07964	0.7
203.17932	0.9
205.06488	0.9
219.08066	2.0
221.05856	1.2
223.07487	1.1
230.09361	1.8
232.08885	0.7
233.05948	2.2
234.06714	2.3
235.07521	3.7
247.07556	4.0
248.08247	2.4
249.05453	2.6
249.09183	1.6
250.06245	1.9
251.07005	5.2
260.08304	2.6
261.05530	1.1
261.09009	0.8
262.06244	4.0
262.09787	1.2
263.07025	9.2
264.07800	4.8
265.08539	3.2
266.05774	0.9
266.09225	0.8
270.08694	0.9
275.06940	3.2
276.07837	2.4
277.05237	1.5
277.08539	10.0
278.05862	1.1
278.09332	5.7
279.06427	4.3
280.07355	1.4
281.08093	1.9
281.11716	0.9
282.35355	0.7
288.07822	1.0
289.04974	1.0
289.08600	1.3
290.05707	1.1
290.08945	0.9
291.06506	7.7
291.10144	2.3
292.07278	13.9
293.08057	13.3
293.11697	3.2
294.05582	0.8
294.08817	9.4
295.09631	0.6
298.08359	1.4
304.07394	1.5
305.08133	7.6
306.08817	15.6
307.06134	3.3
307.09604	55.5
308.06790	1.8
308.10324	18.5
309.07504	2.9
309.11200	7.0
310.11450	0.9
316.07626	0.8
319.06186	1.4
319.09604	2.4
321.07874	0.9
321.11139	4.3
322.08313	9.2
323.09116	6.0
324.09888	20.1
332.06693	2.9
333.07465	2.2
334.08319	8.1
335.05545	1.0
335.09122	1.0
337.10587	6.4
338.11404	4.4
339.12268	20.0
347.09192	4.8
350.07794	17.1
351.08615	5.0
352.09174	1.2
365.10172	100.0
366.10556	3.3
368.08859	8.1
381.09424	1.1
383.11227	80.5
384.11603	2.1
527.14722	1.1
545.22266	1.5
545.32324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	3.4
69.07070	3.7
69.61313	2.2
69.61670	5.6
70.06599	2.0
79.05479	3.7
81.07059	4.0
85.02882	3.2
86.06062	4.1
91.05485	3.9
93.07036	3.1
95.04987	2.4
97.02878	1.6
97.06535	2.3
97.72747	1.4
98.23489	1.9
103.67712	1.5
105.07032	2.5
107.08632	1.9
109.02865	2.2
116.10755	4.8
119.08613	1.9
129.06999	3.0
133.10161	1.5
137.05956	1.7
145.10123	2.2
163.03943	1.8
185.06042	2.0
206.06816	2.3
208.01321	14.5
212.16516	3.2
213.17061	1.7
217.08502	3.4
230.17697	2.3
246.42104	1.7
262.05801	1.8
275.06818	3.7
290.05484	2.7
291.06509	2.5
291.19611	2.1
292.07150	2.2
318.05029	1.7
335.05460	3.7
336.05914	9.8
365.06424	4.2
366.06772	8.9
376.12686	1.8
383.10959	3.0
430.24478	2.8
431.24582	1.8
514.16119	24.0
515.16974	10.5
544.31555	2.2
544.39325	18.7
545.17810	100.0
545.30530	5.6
545.40381	2.9
546.18439	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
57.03426	3.0
67.05507	3.6
68.05047	1.1
69.03436	2.0
69.07056	1.6
69.17388	2.7
69.17795	1.5
70.06591	100.0
79.05485	2.2
81.07054	1.5
81.09097	0.7
84.08154	1.8
85.02918	1.4
85.06544	2.6
86.09706	19.1
87.04473	0.8
91.05483	1.5
93.07026	2.2
95.04971	4.9
97.02905	1.0
97.06531	1.0
98.22721	1.6
105.07049	1.0
107.04950	1.0
107.08601	1.6
107.34756	0.7
109.06511	4.9
110.93909	0.7
113.05991	5.9
117.07064	0.8
119.08629	1.0
121.10136	0.8
128.10704	5.5
135.08022	3.5
140.05984	0.7
145.10150	1.1
149.09550	0.9
156.10207	1.3
159.11732	1.0
161.09639	1.0
173.12831	0.7
189.09187	1.7
202.12308	3.1
217.15866	0.9
225.16096	1.4
231.10191	2.0
248.12897	2.4
265.15555	0.8
267.16980	12.6
273.18521	3.0
277.08478	1.0
278.08951	1.6
279.13376	16.3
279.16312	0.9
282.96191	0.7
291.19547	9.5
306.08585	1.9
334.07971	2.9
345.17993	8.3
347.22202	0.9
352.08975	1.5
353.14053	0.9
362.20651	6.7
363.09064	0.8
364.08997	2.5
365.23251	6.8
381.09735	5.5
382.10031	16.8
383.10529	1.0
390.20294	4.3
483.32770	1.0
486.25967	1.5
501.30518	2.0
517.29932	2.4
545.20483	3.4
545.30115	19.1
546.30042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06263	0.5
69.03420	1.3
69.70219	1.1
79.18246	0.5
81.03426	0.4
85.02904	3.7
90.32188	0.5
97.02908	0.6
99.04456	0.5
109.02912	0.6
115.05485	1.0
116.11715	0.4
119.08566	0.7
120.30368	0.5
127.03942	0.6
131.04913	0.6
143.04919	1.0
145.06517	0.9
158.35059	0.5
173.05952	0.6
188.01587	0.5
189.05435	0.8
189.06976	7.8
191.08571	0.9
199.03859	1.0
201.05431	4.6
201.07034	0.6
205.06456	1.0
215.03333	0.8
217.06529	8.3
218.07184	1.0
219.08043	1.9
227.03371	6.5
233.05949	0.7
235.07559	1.2
245.04288	12.3
247.07549	14.1
261.05496	0.5
263.06958	1.6
275.07043	18.3
277.08548	1.2
291.06564	1.8
293.07446	0.5
303.06531	1.1
305.08096	100.0
306.08487	2.8
306.63525	0.5
307.09195	0.7
308.09848	1.2
310.11456	0.7
319.06039	4.4
331.06198	1.2
335.08713	0.5
349.07086	48.8
350.07315	1.2
365.10056	0.6
366.10532	1.7
383.11310	1.7
384.11588	5.3
401.09766	0.4
546.23492	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.3
57.03435	8.3
61.02928	1.5
67.05506	9.6
69.07067	3.2
69.54597	6.2
69.54936	1.6
79.05486	10.3
81.07053	12.6
83.04973	2.3
83.08612	3.1
85.06530	3.3
91.05472	17.8
93.07033	15.6
95.04969	2.4
95.08588	11.8
97.02830	1.5
97.06567	1.6
99.04454	3.3
105.07033	17.7
107.04980	3.0
107.08608	9.4
109.06520	4.0
109.10178	2.8
117.07005	8.5
117.16289	1.6
119.08580	11.1
121.10133	4.8
123.08071	1.8
129.06995	1.5
131.08565	11.3
133.10109	6.9
135.11676	4.5
143.08559	2.6
145.10130	6.8
147.11694	4.1
149.09622	2.2
159.11676	5.2
175.14705	1.5
183.86847	1.5
185.13239	3.3
201.16350	3.0
203.14281	3.0
216.67720	1.6
219.17433	100.0
227.41844	1.7
257.19141	1.6
275.20029	11.9
293.21082	2.6
320.53058	1.7
349.23721	92.6
350.24121	2.6
388.08768	7.3
511.28891	2.4
546.16327	1.4
546.24591	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88724	1.2
55.01872	1.3
55.05518	9.5
57.03436	1.7
60.78614	1.3
67.05507	14.7
69.07063	3.5
71.45993	1.4
79.05483	21.1
81.03429	1.4
81.07056	8.9
83.04982	9.0
83.08624	3.2
90.10828	1.5
91.05473	11.9
93.07039	11.6
93.38015	1.3
95.04942	2.6
95.08592	5.7
97.10145	4.6
105.07030	12.5
107.04942	5.2
107.07946	1.4
107.08600	17.7
109.10168	7.5
117.06998	1.8
119.08571	11.0
121.10120	5.3
123.07990	1.8
123.11696	1.6
125.09624	5.5
131.08574	3.6
133.10118	9.4
135.08009	4.1
135.11615	1.6
144.74359	1.4
145.10135	6.0
147.11661	3.0
149.09625	20.6
159.11690	4.2
161.13286	2.6
173.11766	2.4
173.13222	2.7
189.11214	4.6
209.15381	4.5
227.12761	1.6
229.19492	2.0
245.13895	1.9
257.18933	3.5
275.20062	23.6
349.23734	100.0
367.24692	3.3
546.26074	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09250	1.5
52.30614	1.4
55.05500	5.5
57.03424	3.2
57.07073	3.7
61.02925	6.0
67.05505	32.1
67.12422	1.8
69.03442	1.7
69.07071	6.6
70.74669	2.0
79.05497	23.1
81.07059	37.0
83.08630	4.4
85.02898	7.9
85.06545	1.5
91.03951	4.3
91.05470	11.5
93.07053	33.5
95.04976	3.4
95.08610	30.7
97.02879	3.6
97.10163	2.1
99.08114	2.2
104.10798	1.7
105.07032	9.3
107.08604	21.5
109.10175	23.5
115.15295	1.7
117.07018	6.9
119.08555	8.1
121.10143	21.7
123.11707	13.6
131.08583	14.8
133.10133	8.3
135.11707	20.3
137.13269	5.7
145.04921	2.4
145.10129	9.9
147.11682	8.9
149.13251	13.8
151.11250	1.8
151.14862	2.6
159.11682	10.1
161.13257	9.8
163.14798	11.8
173.13264	11.8
175.14719	3.4
177.12715	2.4
177.16380	7.0
179.14410	1.9
187.14799	7.4
197.96805	1.5
215.17911	1.9
232.58206	1.8
233.22643	4.5
243.21078	30.7
261.22141	100.0
262.22430	2.8
279.23199	2.2
309.29477	1.7
335.25742	13.5
353.26865	40.8
354.27365	3.0
544.39075	1.7
546.36212	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.5
57.03431	2.9
60.04518	3.5
61.02923	6.6
61.87546	2.5
67.05510	39.3
69.07072	9.9
75.04455	2.6
79.05499	25.4
81.07055	50.0
83.08629	6.1
85.02919	9.2
85.48831	2.7
91.03957	4.2
91.05466	13.1
93.07040	37.8
95.04954	4.2
95.08607	46.6
95.09202	3.2
97.02883	3.8
97.10152	2.8
105.07036	12.7
107.08601	23.7
109.10149	25.7
111.08081	3.4
117.07070	5.5
119.08597	8.2
121.10160	22.2
122.16343	2.6
123.11692	17.3
131.08537	13.4
133.10146	10.8
135.11687	25.2
137.13269	7.7
145.04930	3.7
145.10139	11.1
147.11732	9.6
149.13283	18.9
159.11642	5.6
161.13271	11.3
163.14821	12.5
173.13286	14.0
177.16365	4.4
179.14386	6.8
184.07373	4.0
187.14891	6.7
201.16438	4.2
232.49857	2.6
243.21062	32.8
261.22131	100.0
267.80646	2.7
271.68167	2.9
279.23181	7.7
282.27823	2.8
288.46512	3.3
335.25806	30.8
353.26843	34.9
462.20050	3.0
462.40359	2.6
469.88092	3.0
546.35443	6.5
546.43170	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2152
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
54.88097	0.3
59.78775	0.3
63.15110	0.3
65.98672	0.4
69.03429	0.4
70.06584	0.7
72.08149	0.5
81.03497	0.4
85.02399	0.4
85.02912	0.5
91.05471	0.6
93.07034	0.8
94.07375	0.5
95.04967	0.5
97.02881	0.5
111.04195	0.3
121.06509	5.4
122.06836	1.9
125.06004	0.4
133.06516	0.4
134.08113	0.3
148.88956	0.3
150.09148	1.4
159.04218	3.4
185.04219	0.4
247.06142	0.4
385.16647	1.8
385.21759	2.0
547.21393	100.0
548.21747	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.349
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
55.69491	0.1
56.05026	0.1
58.06598	4.1
67.05474	0.1
69.07065	3.0
69.14504	0.4
70.06589	1.6
71.07372	0.3
72.08153	0.7
84.08134	1.7
85.08919	5.0
86.09702	1.1
91.74030	0.1
98.22675	0.1
99.10472	0.2
113.94840	0.1
114.12798	100.0
115.12383	0.1
115.13141	1.1
152.52948	0.1
181.38210	0.1
312.30786	0.1
354.88654	0.1
502.29077	0.4
547.34863	4.4
548.35059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
54.55896	0.2
62.87007	0.2
69.03411	0.3
69.67126	0.5
69.67482	0.3
70.06570	0.2
77.03945	0.2
79.05492	0.4
85.02892	0.4
91.05480	0.2
95.04946	0.3
97.02884	0.2
103.05468	0.3
105.06975	0.3
109.10143	0.2
114.12796	0.4
115.05436	0.7
119.95955	0.2
127.05423	0.7
128.06209	0.6
129.07002	1.5
135.04410	9.1
143.04910	0.7
145.06454	0.5
145.10077	0.3
155.04964	1.0
159.11647	0.2
173.06018	0.4
183.04459	0.2
185.05969	100.0
186.06285	1.8
188.48361	0.2
190.07811	0.3
191.08539	1.6
199.03896	0.4
201.16377	0.3
209.05878	0.3
217.04886	0.2
219.08043	2.1
229.04950	10.6
237.05354	0.2
247.07468	1.1
249.09116	0.7
254.57304	0.2
267.06537	1.0
275.07010	0.5
277.08603	0.7
305.07947	0.2
307.09683	0.3
333.07376	0.3
351.08618	9.0
352.08585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62464	1.9
53.03947	2.5
53.42907	1.8
55.01875	2.2
55.05516	13.6
57.03427	9.1
57.07064	1.8
59.15108	1.8
65.03942	2.3
67.05163	3.3
67.05505	57.1
69.03426	8.4
69.07078	10.7
70.73425	1.7
71.04982	2.4
79.05489	42.0
79.52848	2.0
81.07055	75.2
83.08608	8.8
86.09708	2.8
90.15564	1.9
91.05482	23.8
93.07043	51.0
95.04964	4.4
95.08606	45.6
97.02891	29.8
97.06522	2.1
97.10186	2.7
99.08066	2.8
103.03920	3.4
104.10736	7.6
105.07030	15.4
107.08597	27.9
109.10162	24.2
115.03883	2.1
117.07001	7.8
119.08562	13.2
121.10152	30.0
123.11700	15.0
125.00021	2.7
131.08572	16.9
133.10106	13.1
135.11711	21.6
137.09528	2.0
137.13228	3.8
145.10110	11.7
147.11636	9.2
149.09621	2.3
149.13261	15.2
151.07542	5.4
159.11681	13.0
161.13292	9.5
163.14807	12.9
165.09097	2.1
173.13242	13.5
175.14783	3.1
177.16446	2.9
187.14742	7.1
191.14282	2.3
201.16415	3.5
233.22614	3.2
243.21111	24.8
245.57658	1.9
261.22141	66.2
261.24899	3.5
263.23624	2.1
335.25720	8.9
353.26825	21.5
363.25244	100.0
364.25613	3.2
379.65820	2.3
381.26279	3.7
431.58722	2.2
540.58911	2.1
560.24823	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05507	19.6
57.03428	4.7
58.87455	2.2
61.02921	4.9
61.59729	2.0
65.03912	2.5
67.05162	3.7
67.05502	60.7
69.03419	3.2
69.07065	14.6
69.88524	3.4
69.88877	3.6
71.04975	2.5
71.08627	4.6
73.02892	2.1
79.05488	38.1
81.03400	2.9
81.07053	47.5
83.04977	3.4
83.08605	9.6
85.02901	5.7
85.06516	3.0
90.97767	1.6
91.05479	28.2
93.07040	45.2
95.04958	4.0
95.08608	29.2
97.02896	5.0
97.06536	6.0
97.10172	11.8
99.08118	3.5
105.07021	25.4
107.08585	32.5
109.06503	2.6
109.10152	38.9
111.08108	2.2
117.06999	6.9
119.08575	19.8
121.10152	19.1
123.11694	5.0
125.09646	11.8
129.07013	3.5
131.08582	9.4
133.10121	19.9
135.08020	3.4
135.11670	21.6
143.08572	4.4
145.10130	9.4
147.11661	18.5
149.13232	10.3
151.11147	2.5
155.10669	2.4
157.10092	5.2
159.11685	12.2
161.13234	13.2
163.11259	2.6
163.14870	3.2
171.11681	3.8
173.11687	7.0
173.13263	9.0
175.14825	5.7
176.88721	2.0
177.12741	2.3
179.14258	10.2
182.58992	1.7
185.13243	5.0
189.11127	9.1
190.95393	2.1
199.14851	4.0
207.14096	2.6
227.12764	7.9
229.14253	14.4
231.21158	3.4
241.19572	10.8
245.13803	6.3
259.20541	32.6
277.21622	38.3
333.24442	3.1
351.25278	100.0
352.25549	3.5
369.26355	4.4
510.32321	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
55.05511	12.3
57.03439	18.7
61.02916	4.6
62.73367	2.8
67.05501	43.2
69.07060	11.0
69.96890	2.1
71.04993	3.3
78.03202	2.3
79.05484	43.6
81.07053	42.9
83.05015	2.7
83.08623	5.5
85.02903	5.8
85.06554	3.6
91.05471	37.1
93.07032	55.0
95.04947	5.7
95.08593	38.3
97.02893	4.8
97.06522	7.4
97.10162	4.2
99.08109	3.1
105.07020	38.5
107.08601	33.5
109.06530	3.8
109.10153	14.1
111.08093	2.9
113.09644	4.2
117.07008	12.9
119.08574	30.0
121.10131	26.8
123.08065	5.7
123.11713	5.3
125.09640	2.9
129.06981	4.8
131.08571	20.7
133.10126	25.7
135.11665	23.3
137.06026	4.7
137.09494	3.7
143.06137	2.4
143.08568	4.8
145.10115	25.0
147.11673	22.8
149.09668	2.6
149.13290	11.5
157.10086	2.7
159.11665	18.4
161.13268	10.3
171.11694	8.4
173.13268	10.4
175.14867	6.9
177.12758	2.9
178.28398	2.7
179.14355	3.6
180.07962	2.3
185.13271	9.4
187.14787	12.8
199.14804	3.9
201.16327	7.1
205.15872	3.6
213.16325	4.0
219.17485	3.9
221.19023	3.2
229.14381	4.9
241.19421	15.9
259.20535	41.4
269.17523	3.5
277.21579	32.1
317.62134	2.8
351.25281	100.0
352.25394	3.5
369.25958	3.0
435.21057	3.2
447.13739	3.2
471.99786	2.5
515.08624	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35501	1.7
55.05524	10.6
57.03422	2.0
57.07067	7.1
58.25685	1.6
59.78454	1.7
61.02925	6.4
61.76519	1.7
62.98822	1.6
65.03946	1.8
67.05505	52.9
69.07069	15.0
69.31958	7.4
71.08624	4.3
79.05491	14.9
80.63410	1.7
81.07059	55.5
83.04961	1.7
83.08612	10.4
85.02903	4.9
85.10198	2.3
90.60107	1.6
91.03941	3.3
91.05479	6.7
93.07052	18.8
95.08610	53.4
96.62879	1.6
97.02885	3.8
97.06536	4.4
97.10188	8.6
98.39784	1.8
99.08086	2.5
105.07043	6.4
107.08604	11.4
109.10161	28.1
111.08082	3.8
111.11714	3.5
113.09643	2.2
119.08593	8.5
121.10150	16.1
123.11719	15.1
127.11191	1.8
133.10121	13.3
135.11723	11.2
137.13231	5.3
141.12729	3.0
147.11702	8.9
149.13275	8.6
151.14810	6.8
155.14246	4.2
161.13306	11.3
163.14825	10.0
165.16435	14.5
168.83873	2.1
175.14832	8.8
177.16469	2.5
179.17932	7.9
182.98991	1.7
189.16399	4.8
203.17801	2.2
217.19397	2.0
245.20128	3.5
245.22653	73.3
263.23706	100.0
264.24081	2.0
265.25424	3.0
276.31253	1.7
281.82193	2.0
337.27383	44.1
355.28235	9.6
548.38037	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.9
57.07068	1.9
64.66541	0.5
65.71498	0.5
67.05500	12.2
69.07059	3.3
70.36900	0.7
71.08611	1.4
71.12253	0.7
79.05480	8.4
81.07051	14.7
83.08627	2.0
85.06526	1.7
86.09698	100.0
88.11275	0.9
91.05467	10.0
93.07032	7.8
95.04975	1.0
95.08604	9.1
97.10152	1.8
105.07017	6.1
107.08583	3.8
109.10151	3.7
117.07011	1.9
119.08537	5.1
121.10128	7.2
123.11653	1.4
129.06953	1.0
131.08549	3.8
132.10191	54.5
133.10121	3.6
135.11682	3.3
137.09555	0.6
143.08519	1.1
145.10124	3.2
147.11687	1.7
149.09605	1.3
149.13242	1.7
149.26546	0.5
153.75159	0.5
157.10091	0.7
159.11685	2.5
161.13257	1.4
163.11122	1.7
166.40276	0.6
171.11668	1.5
173.13147	0.8
175.14841	1.1
177.12726	1.9
185.13278	1.6
199.14783	1.2
231.10054	0.5
250.21758	0.7
266.32050	0.5
275.27264	0.7
296.21936	0.6
301.28741	1.5
315.30441	1.6
346.21570	0.6
381.35181	3.0
399.36212	4.5
405.71454	0.6
436.12958	0.6
451.13800	0.6
465.91153	0.6
484.44788	1.9
498.51282	0.6
502.45898	1.7
530.45392	2.3
548.47351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1245
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03444	0.1
57.91206	0.1
67.05473	0.1
67.56262	0.1
69.03404	0.2
70.06576	0.2
79.05465	0.2
81.03426	0.3
81.07021	0.2
85.02866	0.4
91.05460	0.2
91.16792	0.1
93.07007	0.1
95.04948	0.2
95.08617	0.1
97.02882	0.2
97.06503	0.2
105.01781	0.2
105.07033	0.3
107.08553	0.3
108.91483	0.1
109.02848	0.2
114.12163	0.1
114.12815	1.3
115.03888	0.2
115.13110	0.3
119.08624	0.1
131.04826	0.2
137.05952	0.6
145.10114	0.3
151.03886	0.3
153.01801	0.4
163.03896	0.3
175.03905	0.1
212.48470	0.1
229.04839	0.2
257.04611	0.2
258.05234	12.6
259.05682	0.3
271.06067	0.1
286.04721	35.3
287.05096	1.0
301.07068	100.0
302.07382	2.5
343.07883	0.1
463.12347	1.8
505.13446	0.2
517.18512	0.2
531.11414	0.2
549.12415	3.9
549.21161	0.3
549.24738	0.4
550.12775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01865	6.1
57.03455	2.0
65.03938	24.1
66.80415	2.3
67.05492	7.8
69.03432	4.9
70.06597	2.4
71.04969	2.1
75.04501	2.9
78.04705	3.4
79.05488	9.4
79.98840	1.9
81.07059	3.5
82.04203	2.8
85.02886	5.0
91.05485	38.2
93.03403	12.5
93.07056	6.4
95.01334	4.8
95.04941	12.7
97.06532	3.9
103.05423	6.2
105.03375	8.9
105.04488	3.2
105.07014	14.9
106.04168	12.6
106.07413	2.4
107.04947	9.2
107.08591	3.8
109.06493	5.2
110.03665	19.8
111.03893	1.8
111.04462	19.9
114.12766	3.7
115.05444	3.7
117.07009	4.3
119.01898	3.5
119.04936	33.3
119.08604	3.0
121.06521	10.5
123.04354	2.7
123.08052	3.3
125.05983	28.4
128.06209	5.8
129.06966	4.9
131.04938	10.5
133.06537	11.2
134.03577	2.5
135.04402	4.3
135.11736	2.4
137.05983	16.2
143.01915	2.5
143.04958	2.5
144.05795	2.7
145.06470	13.9
146.07300	4.0
147.04375	13.3
147.08064	4.5
149.05954	17.8
151.07565	11.1
153.05463	100.0
153.09079	3.0
154.05746	2.3
155.04901	3.9
156.05669	2.3
159.08090	7.7
161.02969	8.1
161.05986	15.0
162.06779	4.9
163.03857	5.3
167.07033	41.0
167.08365	1.4
171.04446	2.8
172.05188	2.4
173.05994	2.3
174.06798	22.7
175.07526	17.2
177.05504	13.2
178.07715	2.3
179.07019	5.7
181.04930	2.9
181.08604	5.5
185.05952	4.5
186.06726	7.3
187.07516	17.0
189.07060	3.6
189.09137	2.4
190.07706	4.4
191.07039	4.8
191.08563	6.8
198.06848	2.2
199.07545	4.9
201.05446	2.7
202.07750	4.9
203.04042	3.0
203.08607	3.8
204.07799	9.8
205.06429	4.3
207.08096	3.8
208.08821	3.5
209.08023	19.6
209.09601	2.2
214.06252	3.2
215.06857	3.2
216.07814	17.3
217.08530	2.4
218.07237	6.6
219.08011	13.3
220.08827	6.8
221.09579	3.9
223.07506	3.8
229.08598	25.1
233.05934	3.5
233.09645	5.7
234.06787	4.0
235.07481	10.4
236.08295	9.4
237.09036	3.5
246.06807	4.5
247.07597	8.0
248.08415	3.9
249.09158	9.0
250.06383	2.5
250.09709	2.4
251.10696	20.0
253.08626	2.6
261.09155	5.7
262.06195	3.4
263.06982	6.2
264.07895	21.3
265.08566	9.4
275.06989	2.8
276.07849	3.0
277.08630	12.3
278.09351	8.2
279.10153	19.1
280.10919	2.1
281.08292	3.2
281.11743	5.7
289.08548	6.2
291.10196	3.1
292.07144	5.2
293.08032	5.7
295.09549	2.5
296.10355	2.4
297.05814	2.4
305.08112	2.5
306.08887	6.2
307.09650	84.1
308.10309	14.0
309.11160	12.0
311.12735	3.3
316.84671	2.1
319.09735	3.5
321.11169	7.5
323.12872	3.1
324.10077	3.4
325.10669	3.2
337.10654	3.7
339.12265	88.5
340.13007	37.2
341.13760	5.7
351.12225	5.2
352.13089	5.6
353.14157	2.7
499.17892	2.6
517.18188	2.4
549.21503	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01873	4.3
55.05526	3.2
61.02935	2.5
67.05499	2.3
69.03442	12.9
69.54367	8.2
70.06592	2.3
72.04528	2.4
81.03424	5.5
81.07071	4.9
83.08666	2.1
84.04514	5.9
85.02903	18.9
86.09690	2.4
91.05482	4.6
93.07053	5.5
95.01344	5.9
95.04987	3.3
95.08644	2.2
97.02888	8.9
100.11279	6.6
103.05479	3.4
105.07023	5.0
107.08606	3.9
109.02879	4.7
111.04447	3.1
114.12836	4.4
115.05463	17.6
115.13177	2.9
117.07029	50.5
117.07800	3.4
119.08625	4.2
121.10168	3.2
125.02347	17.6
127.03949	3.5
128.06236	13.5
129.07016	94.6
131.04977	6.2
131.08585	2.4
133.06477	2.7
133.10147	2.8
135.04465	5.9
137.06009	8.5
143.04938	19.7
145.05209	2.9
145.06499	22.0
145.10129	2.7
147.11742	4.3
153.05531	2.5
154.12305	7.7
155.04927	2.5
155.06003	4.6
157.06499	49.6
159.04440	8.5
161.06018	9.5
163.07561	3.1
167.07030	3.5
171.04405	32.5
171.05559	2.4
173.05981	25.5
175.07544	5.2
177.93362	1.8
182.15463	5.6
185.05945	11.2
187.03918	2.6
187.07562	8.5
189.05421	2.8
199.03897	29.7
201.05478	81.4
203.03342	3.4
203.07042	3.5
209.16667	2.4
210.14917	7.4
217.05009	4.0
219.06531	2.2
229.04987	24.0
231.06549	100.0
231.30417	2.0
233.08096	23.4
247.06050	61.4
249.07582	17.5
275.12775	5.3
281.18683	3.8
301.06958	2.1
302.07474	5.0
337.21283	3.2
379.02023	2.0
380.28943	3.5
411.12747	2.3
414.49075	2.0
507.35544	17.9
550.19714	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63435	8.4
69.84815	26.4
69.85166	15.1
151.07544	100.0
155.23224	8.1
166.06221	11.3
181.08586	69.8
217.12204	13.3
236.29086	11.3
247.13266	12.4
297.37338	8.8
370.17770	22.9
385.20166	95.8
395.92279	11.9
444.73050	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60016	0.6
66.33425	0.8
67.05489	1.5
67.79953	0.6
68.05015	0.6
69.87004	1.7
71.04973	2.2
75.04459	1.3
75.45352	0.5
79.05476	1.5
81.07035	1.0
86.15070	0.6
91.05491	4.8
93.07029	1.2
95.04943	1.2
95.08595	0.8
98.06040	0.7
98.22774	1.1
99.05754	0.6
105.07042	1.6
107.04949	5.7
107.08602	0.8
108.05740	3.8
109.06520	1.3
116.07069	1.7
117.07030	0.9
118.04150	0.7
121.06489	3.4
123.04475	0.9
133.06477	0.9
135.04410	3.2
135.07999	1.5
136.05203	7.9
137.05894	3.2
138.06744	2.0
139.07550	1.1
145.06451	1.4
146.07317	0.7
147.08015	1.8
148.05188	6.0
149.05971	0.9
150.06760	1.3
151.07530	100.0
152.08109	1.0
153.09093	1.0
157.06502	0.8
158.07263	1.6
159.08086	2.5
161.05986	1.9
162.06822	0.8
163.07506	3.1
164.08313	1.3
165.05463	2.0
165.09111	8.7
166.06248	16.7
166.07616	1.2
167.07016	2.1
171.08028	1.5
172.08821	1.8
173.05984	2.8
173.09561	1.5
174.06778	1.5
175.07591	1.1
176.08289	2.1
177.09085	7.8
179.06982	0.8
179.10663	1.5
180.07805	1.7
181.08586	74.0
182.09103	1.3
183.10181	0.8
186.10374	1.0
187.07510	3.0
188.08282	4.6
189.09079	6.6
190.09842	1.1
191.06964	1.0
191.10658	3.7
193.08589	2.2
195.10190	3.7
201.09151	4.2
202.09883	5.1
203.10649	11.2
205.08585	1.1
207.10135	2.8
215.10635	1.1
216.11407	4.1
217.08740	1.1
217.12238	11.6
218.09334	1.3
219.10065	1.1
221.11725	1.3
232.10941	1.0
233.11674	4.5
247.13258	10.7
257.34668	0.6
339.15799	1.1
353.17432	3.7
354.18311	4.6
370.17703	17.5
383.18405	1.0
385.20056	76.3
386.20322	1.8
403.21042	3.4
542.84924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01860	4.4
55.05513	11.5
56.81781	2.1
57.03431	20.9
57.10501	2.2
59.04996	5.0
60.05468	2.0
60.89532	1.7
61.02920	4.2
65.03918	3.0
67.05502	29.7
69.03424	80.3
69.07062	8.2
70.06586	2.3
70.28090	4.1
70.28403	2.4
73.02912	7.5
75.04472	2.3
79.05486	23.1
81.03419	6.8
81.07053	66.3
83.04974	2.7
83.08591	4.7
85.02902	59.4
85.03415	4.4
87.04467	55.1
90.34217	2.0
91.05479	25.1
93.07037	40.5
95.04963	7.2
95.08602	79.5
97.02892	58.3
97.03487	3.9
97.06529	4.0
97.10184	4.1
99.04438	3.3
105.01911	2.2
105.04546	2.4
105.07023	75.1
107.08588	74.2
109.06498	5.0
109.10152	61.3
111.04452	2.2
115.03923	74.1
119.06108	2.0
119.08576	61.7
121.10139	26.0
123.08044	2.1
123.11687	17.0
127.03909	6.3
129.07042	1.9
131.08554	4.9
133.04959	75.7
133.10118	39.5
135.04413	3.8
135.11703	19.8
139.03923	2.0
143.08577	4.7
145.04973	11.1
145.10114	7.4
147.11679	56.8
148.12138	2.6
149.13269	5.9
151.11145	4.9
157.10059	4.5
159.11658	7.6
161.13254	22.3
163.14841	10.0
164.92136	2.0
171.11638	2.3
173.13235	3.5
175.14859	8.5
177.05464	2.4
185.13266	3.6
187.14740	2.3
189.16391	9.4
191.17963	2.1
201.16385	7.9
203.17947	100.0
204.18309	2.1
213.16370	3.6
215.17923	3.8
221.19014	9.2
227.17989	5.0
245.19130	3.0
259.08093	3.9
277.09195	3.3
285.11017	2.1
295.10297	4.1
317.20941	2.5
335.22171	6.1
355.81760	2.1
357.94000	2.0
550.32819	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
56.05025	1.0
57.03423	0.5
57.07069	0.7
58.06602	1.4
59.07392	0.4
59.26937	0.4
59.89484	0.3
60.08167	18.7
60.99288	0.3
62.05449	0.4
63.46211	0.4
67.05492	1.6
69.07072	2.4
69.30257	0.3
69.45789	1.6
71.04964	0.4
71.07373	6.1
71.08599	0.4
73.58485	0.4
73.60127	0.4
73.81027	0.4
79.05487	0.9
80.21205	0.4
80.97385	0.4
81.07037	1.5
83.08621	1.3
86.09709	49.0
93.07027	0.7
95.08601	1.5
97.10178	0.8
98.98482	3.8
104.10746	100.0
105.11016	0.4
107.08571	0.7
109.10146	0.7
121.10103	0.9
125.00008	27.2
132.10172	0.8
135.11623	0.4
137.00064	0.4
163.01567	0.8
184.07346	95.5
258.11053	1.1
279.27002	0.5
353.30554	0.4
367.32001	0.9
389.56232	0.4
440.08762	0.4
468.21976	0.7
469.22607	0.8
507.28171	0.5
532.37616	9.8
533.38300	0.5
550.38629	43.3
551.39258	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51660	0.8
55.05494	2.1
56.05032	1.2
58.06596	1.3
60.08167	18.5
61.40585	1.0
67.05491	1.8
69.07053	2.1
69.27918	4.9
71.07365	6.7
74.64230	0.8
79.05462	1.3
80.90088	0.8
81.07046	2.9
83.08602	0.9
86.09705	56.7
93.07050	1.0
94.70673	0.9
94.76642	0.8
95.08591	1.2
98.98470	3.7
104.10741	93.2
105.07021	1.6
119.08595	1.1
125.00000	26.5
125.00925	1.3
132.10210	2.5
143.08560	1.3
159.11830	0.9
159.22842	0.8
184.07338	100.0
187.54683	1.0
189.14684	1.0
276.72067	0.9
387.63623	0.9
493.22809	2.3
532.37738	8.3
550.38599	35.8
551.37964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91393	1.1
54.06476	1.2
55.05508	5.0
67.05497	10.8
69.07074	3.3
69.34971	7.1
79.05499	7.8
81.07056	9.3
86.09706	100.0
88.08322	1.3
91.05481	15.7
93.07051	10.4
95.08599	6.7
98.23008	5.2
105.07019	9.5
107.08627	3.7
109.10150	1.6
117.07021	18.3
119.08577	8.4
121.10157	5.5
124.59681	1.5
128.06247	2.4
129.06998	11.0
131.08566	15.2
132.10197	60.1
133.10147	6.1
135.11728	2.7
141.06985	5.4
143.08542	9.6
145.10115	9.0
147.11676	4.2
149.09674	1.4
155.08582	4.1
157.10156	6.2
159.11710	4.4
161.13257	1.7
167.08621	2.0
169.10175	5.6
171.11711	5.3
173.13347	2.3
175.14874	1.4
181.10162	2.4
183.11673	2.9
185.13249	6.0
187.14856	4.9
189.16460	2.0
195.11607	1.7
197.13202	1.6
199.14833	4.5
201.16400	3.2
203.17981	3.9
209.13214	1.5
211.14778	3.6
213.16412	3.3
215.18059	2.4
225.16368	2.5
227.17998	2.7
239.17914	2.7
241.19614	2.4
253.19685	2.4
255.21170	1.3
348.24915	1.6
353.29083	1.6
401.32196	1.7
419.33044	7.1
504.42102	2.2
550.42633	17.1
550.61841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
57.51411	1.1
58.35964	1.0
65.03922	1.4
65.83585	1.2
67.05509	10.6
69.07067	3.6
71.00014	1.1
79.05482	7.6
81.07057	10.0
83.08589	1.8
86.09699	100.0
86.15893	1.0
88.11252	1.3
91.05472	14.4
93.07034	8.7
95.08611	5.6
98.22656	3.2
98.23367	5.9
105.07007	7.6
107.08594	3.9
109.10167	1.7
115.05473	2.3
117.07009	14.7
119.08571	8.1
120.96351	1.0
121.10120	6.1
128.06221	3.1
129.07010	11.1
131.08554	11.3
132.10193	60.9
133.10130	6.3
135.11699	3.1
141.06987	4.3
143.08565	8.7
145.10085	7.6
147.11678	3.5
155.08501	5.7
157.10078	6.4
159.11633	4.6
161.13193	1.8
167.08591	1.9
169.10089	3.4
171.11679	4.4
173.13264	4.1
175.14815	1.5
181.10149	3.0
183.11655	6.6
185.13251	4.8
187.14828	3.7
189.16399	1.9
195.11678	2.1
197.13278	3.0
199.14853	3.9
201.16312	3.3
203.17836	2.1
211.14793	2.7
213.16312	2.2
215.17940	2.6
223.14723	1.9
225.16319	3.1
227.17943	2.6
239.17889	2.1
253.19539	2.0
267.21100	1.8
415.87360	1.3
419.32999	6.3
421.23688	1.9
437.67410	1.2
446.20901	1.4
459.17758	1.2
462.20364	1.6
475.21255	3.1
476.21869	2.5
477.22336	4.5
478.23599	1.7
489.22580	1.6
504.24918	1.8
550.25629	18.1
550.42523	15.5
551.25928	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2833
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
69.70266	1.3
74.40407	0.4
76.59809	0.3
77.37968	0.3
78.19220	0.3
98.23264	0.7
114.17719	0.4
186.22142	0.5
389.23068	2.7
389.27567	0.4
398.97839	0.4
425.23813	0.4
551.28302	100.0
552.28595	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89144	0.2
71.46661	0.3
117.22747	0.2
135.85481	0.2
174.42175	0.2
185.04262	0.3
238.11334	0.2
259.07916	0.4
331.09570	0.4
389.23001	3.8
551.28235	100.0
552.28650	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51622	1.0
54.35157	1.1
55.01871	2.8
57.03436	24.4
59.05007	2.1
60.04516	1.8
61.02922	5.7
65.03930	1.1
67.05502	1.4
69.03426	68.6
70.06591	2.1
71.01346	1.8
71.04976	1.8
71.46149	1.1
73.02917	28.2
79.05479	2.7
81.03404	4.5
81.07037	1.4
83.01337	2.3
83.04961	2.7
85.02901	51.3
85.03419	2.7
86.09679	1.5
87.04463	31.5
91.05477	54.4
95.04989	1.3
97.02889	97.8
99.04445	3.7
103.03905	1.8
105.07014	3.2
105.36925	1.2
107.04936	3.5
109.02886	2.8
109.06553	1.3
111.04427	3.9
113.02366	1.5
115.03927	100.0
117.05476	2.6
117.06956	1.9
119.08579	2.2
123.04399	1.4
125.06040	1.3
127.03916	11.3
129.06999	1.2
131.08571	1.7
133.04965	69.3
133.06505	2.8
135.04463	1.2
137.05959	1.9
139.03882	3.9
141.06583	2.1
145.04979	13.1
145.06396	1.7
150.07613	14.4
151.03885	2.7
157.04979	7.5
157.06181	1.4
159.08009	1.3
161.04440	3.3
163.06004	5.6
169.04968	2.4
175.06035	3.6
175.07454	1.8
177.05508	1.4
181.04884	2.0
185.09721	1.4
187.06000	2.8
193.04973	2.3
194.40067	1.2
205.08582	3.3
211.06038	10.0
217.08672	1.9
223.06006	4.2
223.09636	5.1
229.07060	21.0
235.09523	1.5
241.07066	6.2
247.08159	12.4
249.99467	1.4
253.10640	4.9
259.08130	12.9
265.09152	17.2
277.09076	2.7
295.10254	20.2
329.06516	1.8
552.29626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01868	1.9
55.05502	2.8
55.07302	0.8
57.03440	3.6
57.07061	2.3
58.02142	1.0
61.02911	1.8
67.05499	6.0
68.99792	1.3
69.03069	1.2
69.03426	17.5
69.07066	4.8
70.06587	1.9
71.04977	0.9
71.45826	1.4
71.46195	0.9
73.02937	1.0
79.05489	12.1
81.03417	7.8
81.07054	100.0
82.07368	1.1
83.04970	1.7
85.02901	23.9
87.00826	8.3
87.04461	4.3
91.05480	2.3
93.07015	1.9
95.04976	2.4
95.08601	19.3
97.02888	24.4
99.04437	3.7
100.11213	1.3
103.05460	2.2
105.01861	19.2
105.07034	1.9
107.04942	1.2
107.08595	1.7
109.02895	6.0
109.10142	2.8
111.04398	2.0
115.03928	9.0
119.08533	1.3
121.06535	1.3
121.10110	1.2
127.03912	19.2
129.07027	1.0
131.04901	3.3
131.08553	2.1
133.04974	3.9
134.08087	2.4
135.04401	17.4
135.11668	1.1
137.05940	1.5
137.13255	18.4
139.03935	1.4
143.08472	1.0
145.04961	9.7
147.07956	1.0
150.07594	3.7
151.03926	1.8
159.02928	2.5
161.05945	1.6
163.03777	1.5
177.05460	2.5
189.03917	1.4
192.94109	1.1
213.03918	2.4
215.05505	1.3
223.05983	1.9
231.04918	6.8
241.07077	3.7
247.23448	1.0
249.06129	4.9
289.08624	1.1
305.83295	1.0
309.05896	1.1
327.07394	4.5
328.21103	1.3
337.10614	5.0
345.08145	9.8
355.11780	4.6
363.08997	1.9
379.37622	1.0
427.78677	0.9
551.88220	1.0
552.24121	1.0
552.35321	2.5
553.25891	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51119	0.4
73.98367	0.5
75.04469	0.6
79.05483	0.9
81.15789	0.5
91.05463	1.9
92.26866	0.5
93.07047	0.7
93.34256	0.4
95.04953	0.8
106.04169	0.6
107.04918	0.7
108.05724	1.0
109.06524	1.1
119.04977	0.5
120.05743	0.6
121.06503	1.3
122.07299	0.5
123.04430	0.9
125.88937	0.5
133.06474	1.0
135.04369	0.5
135.08040	0.5
136.05180	3.9
137.05991	3.4
138.06757	1.9
143.08472	0.5
145.06459	0.9
148.05180	12.0
149.05986	0.8
150.06775	0.9
151.03920	1.6
151.07509	4.1
153.09119	0.6
158.07281	0.9
159.08055	1.6
161.05995	2.0
163.07497	1.1
165.05473	1.8
165.09138	3.7
166.06248	14.1
167.07019	2.6
169.06488	0.4
169.89149	0.4
171.08037	0.6
173.05977	1.3
173.09621	0.8
175.07550	1.2
176.08313	1.7
177.09091	3.6
179.07056	0.7
179.10701	0.6
180.07835	2.7
181.08589	100.0
182.09012	1.7
183.10129	1.0
187.07550	1.9
188.08334	1.9
189.09145	2.6
190.09917	1.2
191.07033	1.0
191.10602	1.0
193.08594	3.4
194.09297	0.6
195.10155	7.7
200.08456	0.6
201.09097	3.8
202.09901	3.8
203.07022	3.2
203.10646	0.9
204.07672	0.7
206.09431	0.8
207.10158	5.1
209.11644	0.8
216.11472	5.7
217.08563	2.4
218.09442	2.4
219.10196	3.2
221.11737	1.3
231.10205	2.9
232.11002	1.6
233.11694	14.2
236.15565	0.5
247.13303	12.4
266.23871	0.4
351.15958	0.8
352.17017	0.5
369.17084	0.9
383.18723	2.9
384.19308	3.0
400.18808	7.7
415.21146	45.5
416.21530	2.3
433.22202	3.1
475.23346	0.7
493.76361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
56.96976	0.4
57.29388	0.4
57.33180	0.4
69.06705	0.7
69.07065	7.8
70.06580	0.7
75.05591	1.5
78.36692	0.4
81.04525	0.6
83.06121	3.0
83.90811	0.4
85.02917	1.0
86.06078	2.6
86.09707	100.0
87.10027	0.6
91.05456	0.6
93.04527	2.8
95.06075	2.6
97.02888	0.5
105.07028	1.1
110.07165	54.8
111.07472	0.5
114.05537	8.6
119.08625	1.1
121.06489	1.0
124.57880	0.4
133.06503	0.7
133.10045	0.6
137.06024	0.5
139.05167	0.4
143.11803	10.7
154.11945	0.4
156.07686	69.4
157.08020	0.6
161.06001	1.0
163.07556	0.6
166.06032	1.2
167.07114	0.5
171.07639	3.1
177.05478	1.0
178.13437	0.5
191.07080	0.9
192.07248	0.5
193.08540	0.8
205.12239	0.7
209.08105	1.3
223.15446	0.7
236.39359	0.5
238.15517	0.8
251.15057	2.2
256.16547	7.3
263.93756	0.5
269.16092	19.4
270.16519	0.5
284.16043	20.0
382.24960	0.7
397.24518	4.9
439.26651	1.7
534.29755	2.6
552.31409	44.2
553.31488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01872	4.6
55.05508	15.0
57.03431	2.1
60.75829	1.2
65.03938	2.2
67.05501	17.1
67.62621	1.1
69.03414	1.9
69.07071	5.5
71.05002	2.3
79.05495	20.6
81.03424	3.5
81.07059	36.3
83.04976	3.5
83.08633	9.9
91.05485	11.0
93.07044	19.8
95.04967	9.3
95.08611	18.3
97.06522	3.5
97.10173	8.3
99.04465	2.3
105.04522	1.7
105.07029	9.3
105.40224	1.2
107.04932	8.2
107.08599	16.0
109.06534	5.8
109.10165	3.9
111.04454	4.8
111.08101	2.9
117.07034	10.7
119.08576	14.6
121.06501	7.2
121.10137	8.6
123.08066	3.9
125.09641	7.5
129.07014	3.1
130.07884	1.3
130.33113	1.2
131.08557	5.3
133.06566	1.9
133.10114	5.4
135.08043	5.1
135.11693	18.7
143.08603	3.0
145.10107	17.2
147.08034	7.9
147.11682	2.1
149.09628	7.1
153.09108	3.0
157.10130	4.4
159.08031	1.3
159.11734	2.2
161.09676	4.4
163.11180	24.9
165.09132	2.5
171.11702	2.4
173.09590	1.4
175.11230	1.6
181.08601	3.1
181.12315	5.4
185.13242	1.8
189.11238	6.5
191.10655	4.9
209.11716	1.4
223.13327	4.1
227.12781	48.9
227.17816	1.4
230.84634	1.4
245.19009	3.5
249.14940	2.4
255.17418	3.1
273.18454	27.3
274.18677	1.9
277.50021	1.2
285.66534	1.3
291.19540	100.0
292.19867	2.2
309.20566	4.8
468.97980	1.3
535.39307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
70.00330	0.8
70.00690	0.6
76.88071	0.3
98.22748	0.7
102.57984	0.3
107.44019	0.3
157.04805	0.6
176.52914	0.3
184.03514	0.8
185.04169	2.9
201.03700	1.3
215.47383	0.3
259.07977	0.4
275.07465	1.1
301.08859	0.4
331.09952	3.5
345.11874	0.5
359.13184	0.7
361.27286	0.3
373.14703	0.6
391.24576	0.8
393.54263	0.4
401.17746	0.5
415.19324	0.8
483.21982	1.9
509.33017	0.4
535.28259	0.5
553.29828	100.0
554.30139	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06067	0.3
65.37877	0.2
69.72488	0.2
69.72824	0.8
72.03994	0.2
77.18671	0.2
78.43945	0.2
92.33134	0.2
98.23161	0.7
117.97813	0.2
185.04230	0.4
243.55495	0.2
246.23375	0.2
259.08182	0.3
391.24689	0.8
495.26114	0.3
535.28656	0.5
553.29846	100.0
554.30322	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
54.42355	0.2
55.82526	0.2
70.54069	0.2
71.46378	0.2
76.47861	0.2
85.86047	0.2
94.98426	0.2
106.15813	0.2
140.83308	0.3
167.60468	0.2
185.04187	0.4
189.32899	0.2
211.15399	0.2
259.07892	0.2
261.01852	0.2
331.09970	0.3
339.40799	0.2
381.44327	0.3
385.26666	0.2
391.24463	2.2
431.18942	0.4
553.29785	100.0
554.30157	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12460	0.8
60.67973	0.9
70.97089	1.1
90.23257	0.9
98.97566	2.8
116.98593	1.9
134.99663	1.6
185.58987	1.0
197.60524	1.0
249.80507	1.0
284.82602	0.9
373.59689	1.1
375.85553	0.9
391.06781	1.0
417.09357	1.3
493.08057	3.7
511.09116	1.1
553.29822	100.0
554.30304	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
55.05505	1.8
58.06581	1.1
67.05525	1.4
69.03442	1.2
70.24826	1.0
71.46057	1.3
79.05494	4.3
81.03429	2.7
81.07066	2.9
85.02892	1.6
91.05472	4.8
93.07027	2.3
95.04980	3.1
95.08604	1.0
97.06537	2.5
102.82235	1.0
103.05474	2.8
105.07036	6.4
105.50874	1.1
107.04984	5.6
107.08627	1.1
114.12755	1.0
115.05479	1.4
117.07031	2.2
119.04903	1.0
119.08571	2.0
120.08132	1.9
121.06495	5.5
121.08401	1.3
121.10165	1.1
128.06169	1.0
131.04932	3.3
131.08556	1.8
133.06494	18.5
135.04410	100.0
136.05180	4.0
137.05975	6.5
138.06360	1.4
143.08586	1.4
145.06493	4.3
146.07275	5.6
147.08017	8.0
149.06013	4.3
150.06743	2.3
151.03981	2.5
151.07532	74.5
159.08052	1.4
161.05981	3.9
162.06799	1.5
163.03911	1.4
163.07524	10.4
165.09113	14.2
171.08057	3.3
172.08937	1.5
173.05981	1.8
174.90950	0.9
175.07561	2.3
177.09096	26.4
185.06003	1.5
186.10490	1.0
187.07585	3.2
188.08304	2.3
189.09155	3.8
191.10744	1.5
201.09109	4.9
202.09833	1.4
203.10698	6.1
217.12253	4.6
219.10223	1.3
221.11818	2.4
235.13457	1.1
242.06294	1.1
307.13275	1.9
309.14868	8.0
321.14886	1.6
324.13464	7.0
325.56107	1.2
337.14639	1.2
339.15891	57.8
340.16113	2.0
349.36230	1.0
355.15424	3.7
357.16876	8.2
444.01749	0.9
449.46869	1.3
474.62155	1.0
519.18848	1.7
536.24701	1.3
554.13452	14.3
554.26331	4.8
554.33252	3.7
555.13361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
53.52818	1.1
55.01869	2.8
55.05508	17.1
57.03432	1.2
57.07068	1.5
65.03952	1.1
67.05502	30.6
69.03419	1.2
69.07060	10.6
71.04996	9.7
79.05489	22.9
81.03420	4.2
81.07051	33.8
83.04972	5.8
83.08615	16.3
85.02914	1.9
85.06542	4.4
91.05479	27.8
92.46080	1.0
93.07045	22.0
93.93276	1.0
95.04411	1.9
95.04964	23.0
95.08599	18.2
95.40610	1.0
97.06519	5.4
97.10155	2.9
98.22798	4.5
98.23495	2.2
105.07025	26.0
107.04936	8.9
107.08587	15.6
109.06517	5.6
109.10146	8.7
111.08057	5.4
117.07001	9.8
119.08572	19.4
121.06515	3.8
121.10158	14.3
123.08078	3.7
123.11708	4.0
124.93800	1.5
125.09577	4.3
129.06996	2.9
131.08533	10.2
133.10117	22.2
135.08040	3.6
135.11679	6.6
137.09618	3.2
141.06958	1.1
143.08650	2.4
145.06424	2.0
145.10115	14.1
147.07986	2.3
147.11655	10.2
149.09596	17.1
149.13255	3.5
151.11177	7.5
155.08565	1.7
157.10097	2.7
159.11696	8.6
161.09657	1.9
161.13243	2.1
163.11176	19.8
165.12756	3.9
169.10057	2.4
171.11656	3.2
173.09592	3.0
173.13254	3.1
175.11186	1.9
177.12784	4.2
183.11726	1.3
183.13841	3.9
187.11665	1.7
187.13304	11.4
187.14813	2.1
189.11212	4.4
191.14273	1.5
195.13763	2.7
197.13185	2.3
201.12892	1.9
201.14827	4.3
205.12282	1.3
211.14922	1.4
215.17899	1.9
223.13258	16.4
229.19446	2.5
239.17999	8.3
247.20575	2.2
248.73271	1.0
257.18982	12.1
275.20050	100.0
276.20364	1.8
293.21075	51.6
307.22635	9.2
346.36902	1.1
469.23087	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.4
61.35444	2.7
66.68995	3.4
67.05504	33.9
69.03441	4.5
69.07076	11.6
71.04994	16.8
71.46641	3.5
79.05482	20.7
81.03433	4.0
81.07059	66.4
81.07500	4.7
83.08630	9.0
84.53538	3.3
85.06555	4.7
87.04449	4.7
88.35297	3.6
91.05480	26.4
93.07040	22.4
95.04980	9.7
95.08620	15.6
95.26668	3.4
95.77861	3.1
97.06535	6.5
97.10165	4.9
105.07061	21.6
107.04962	8.2
107.08622	14.2
109.06522	14.6
109.10142	8.0
115.47479	3.4
117.07048	10.4
119.08607	18.7
121.06518	4.2
121.10155	11.3
121.46223	2.7
123.08079	7.5
123.11736	9.7
131.08592	13.5
133.10098	23.5
135.11661	7.2
137.09651	5.1
143.08522	3.5
145.10146	9.8
147.07968	3.5
147.11710	10.4
149.09651	8.2
149.13268	7.0
151.11205	5.6
157.10152	4.2
159.11682	5.6
163.11203	7.0
165.12747	6.4
173.13225	4.6
177.12755	6.5
183.13823	5.6
187.13333	12.6
198.97511	3.6
223.13313	6.5
233.18732	3.8
239.17891	6.5
257.18942	7.0
275.20053	100.0
275.22934	6.1
293.21082	53.6
307.22647	28.5
352.38184	2.9
443.32059	3.8
461.32684	12.6
463.75134	3.5
469.22858	9.7
554.23853	5.1
554.37988	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.2
61.02925	1.4
65.18763	0.2
69.03417	0.9
69.21650	0.8
80.48705	0.2
85.02895	0.3
87.04486	0.4
96.67091	0.2
97.02888	96.5
98.03236	0.9
100.98005	0.2
111.04442	0.3
147.74931	0.2
149.02428	0.2
153.05460	2.8
165.05479	0.2
175.06064	1.0
178.07729	0.3
189.07054	0.2
190.07759	0.2
205.06433	1.0
206.07234	1.3
207.08003	0.3
208.08875	0.3
216.05710	0.4
218.07303	0.4
219.08012	0.7
221.05972	0.2
222.06781	0.2
232.05103	0.3
233.05972	1.7
234.06729	4.3
235.07553	1.4
236.08301	0.5
239.10736	0.2
244.05190	0.4
245.05942	0.2
246.06834	0.4
247.07527	1.0
248.08267	1.4
249.05501	0.5
249.09087	2.5
251.07002	0.4
251.10687	1.0
252.07603	0.2
261.05453	0.6
262.06232	2.6
263.07004	2.4
264.07770	1.1
265.08569	0.8
266.09503	0.3
267.10187	0.5
274.06204	0.7
275.07068	0.6
276.07880	0.9
277.08572	11.7
278.06241	0.2
278.09259	1.2
279.06787	0.5
279.10110	2.7
280.07382	0.2
289.05154	0.3
290.05795	0.9
291.06497	2.9
291.09659	0.2
292.07141	0.9
293.08078	0.4
294.08633	1.0
295.09607	0.7
302.05688	0.3
304.07309	0.7
305.08044	13.3
306.05444	0.2
306.08743	0.8
307.06302	0.4
307.09634	2.6
309.11130	2.1
317.04626	0.2
317.07980	0.2
318.05133	0.3
319.05945	3.1
320.06775	0.8
321.07544	0.6
322.08441	0.2
323.09082	2.4
325.10748	0.4
331.06268	0.2
332.06689	0.2
333.07550	16.8
334.07907	0.5
335.09116	3.2
337.10684	6.3
338.39044	0.2
349.07169	0.4
351.08609	8.1
363.08594	11.8
364.09012	0.3
366.07236	0.4
375.08530	0.9
381.09653	100.0
382.05432	0.3
382.10083	3.9
384.88870	0.2
405.09735	0.2
441.09357	0.2
459.10873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29104	0.1
57.03436	1.4
69.03426	1.9
69.49879	0.5
69.59954	0.1
73.02906	0.4
73.81081	0.1
85.02901	100.0
86.03216	0.8
97.02259	0.2
97.02888	4.1
98.22713	0.1
115.03926	3.7
127.03911	11.6
128.04362	0.1
128.73997	0.1
139.03918	0.8
157.04959	15.9
158.05350	0.2
175.06012	24.9
176.06343	0.3
205.83687	0.1
206.07027	0.2
226.80768	0.1
233.05937	0.2
234.06789	0.3
248.08278	0.2
249.05690	0.1
249.08978	0.3
262.06293	0.3
263.07040	0.4
275.06934	0.1
276.07843	0.2
277.08615	1.2
279.09985	0.4
290.05569	0.2
291.06415	0.3
293.07898	0.1
305.07983	1.3
307.09634	0.2
309.11267	0.2
319.05896	0.3
323.09213	0.2
333.07535	1.2
334.07922	0.1
335.09036	0.4
337.10544	0.7
351.08759	0.7
363.08679	0.8
381.09674	5.9
382.09634	0.2
559.42810	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76558	0.1
55.01855	0.1
55.05518	0.1
56.57738	0.1
57.03437	1.1
61.02924	0.2
69.03426	2.1
71.01406	0.1
73.02910	0.4
74.06057	0.1
81.03429	0.2
84.02092	0.1
85.02900	100.0
85.18690	0.1
86.03220	0.5
86.09662	0.1
93.07077	0.1
95.08598	0.1
97.02889	4.6
99.04522	0.1
105.07023	0.2
107.08569	0.3
109.02859	0.2
109.10175	0.1
115.03922	3.3
119.08556	0.2
127.03908	13.3
128.04277	0.2
133.10153	0.1
139.03896	0.8
147.11732	0.1
157.04956	19.5
158.05339	0.2
175.06007	30.7
176.06354	0.3
203.18031	0.1
205.06499	0.1
206.07271	0.3
218.07382	0.1
233.05888	0.2
234.06772	0.6
235.07448	0.1
246.06792	0.1
249.09053	0.3
251.07082	0.1
251.10596	0.1
261.05490	0.1
262.06161	0.2
263.07028	0.3
264.07773	0.1
274.06198	0.1
276.07745	0.1
277.08582	1.3
278.09094	0.1
279.10086	0.2
291.06473	0.3
302.05685	0.1
305.08051	1.2
307.09564	0.3
309.11465	0.2
319.06076	0.3
323.09128	0.2
333.07547	1.4
335.09116	0.3
337.10675	0.7
351.08597	0.8
363.08615	1.0
381.09665	6.8
382.09833	0.3
511.88406	0.1
555.27899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05507	4.8
56.96524	0.9
57.03442	6.8
57.05423	0.8
57.07079	29.6
58.48698	0.9
67.05505	12.3
69.07070	7.3
69.16095	2.5
69.16508	2.2
71.04993	1.1
71.08633	23.0
79.05467	2.6
81.03414	7.7
81.07061	13.9
83.08624	8.6
85.02914	1.5
85.10194	11.3
91.05482	1.2
93.07043	2.1
95.04948	1.3
95.08613	19.6
96.09012	0.9
97.10156	4.0
98.23225	3.9
98.98472	74.0
100.11224	2.4
105.07023	1.3
109.02885	6.2
109.10153	8.9
111.11661	1.2
116.99509	1.6
119.08555	1.7
123.11697	3.2
125.09632	0.8
133.10081	0.9
137.13206	1.9
140.01106	1.1
145.10074	0.9
151.14821	1.0
155.01047	100.0
173.02121	1.0
193.25462	0.8
196.03694	1.2
212.04732	0.8
223.13062	1.1
239.23659	11.2
243.02788	1.6
275.19894	1.1
276.20483	1.6
293.21292	1.1
294.21252	1.4
299.05206	1.2
308.47623	0.8
313.27374	70.0
314.27890	1.9
317.06400	8.0
383.27945	1.2
393.23914	8.5
395.95135	0.9
401.28900	5.9
509.21732	0.9
537.28333	3.6
555.29114	58.5
556.29382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
57.03434	2.4
59.04994	1.1
65.03935	2.3
67.05489	0.6
69.03422	9.6
69.07055	0.5
69.54273	0.8
69.54639	1.5
79.05497	1.2
81.03422	1.3
85.02899	6.7
87.04465	5.4
88.67078	0.4
91.05476	100.0
92.05795	1.3
93.07029	1.0
95.04958	0.5
97.02885	10.9
97.06575	0.6
99.04460	0.5
105.07035	1.7
107.04948	1.8
109.02859	0.5
109.10129	1.5
111.04436	0.7
115.03931	8.2
119.08575	1.2
121.06495	0.8
127.03892	0.5
129.07016	0.6
131.04953	0.7
133.04959	8.8
133.06473	0.6
133.10138	1.6
137.05962	1.6
137.09628	2.1
138.06300	0.9
143.08549	1.7
145.04958	0.9
145.06407	0.6
147.04366	0.7
147.08000	2.5
149.06026	0.5
150.07625	1.3
151.21132	0.4
153.06879	0.4
159.08116	0.5
161.09610	8.0
165.09088	2.8
167.03416	1.0
171.08031	0.6
175.07591	0.5
177.05420	0.8
178.05948	0.7
189.09142	1.7
207.10179	1.7
221.11700	5.6
224.10779	0.4
227.07140	0.5
239.12778	2.5
243.10112	0.6
244.10516	1.1
245.08139	5.2
251.07106	0.7
319.14722	0.5
401.18051	0.7
418.60028	0.5
516.09662	0.5
531.13214	0.5
556.29193	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92969	0.9
55.01870	1.1
57.03431	7.1
58.24502	0.9
59.04999	1.9
61.86978	1.0
65.03948	3.3
67.05517	1.2
69.03424	24.9
69.23449	5.1
73.02947	1.2
79.05493	2.5
81.07063	1.4
81.90586	0.9
85.02895	17.6
87.04464	16.9
91.05477	100.0
93.07066	2.1
94.04178	1.8
94.06593	0.9
95.04976	2.0
95.07351	1.6
96.08162	2.9
97.02892	21.0
99.04462	1.2
103.05448	1.0
105.07024	3.4
106.07246	1.0
107.04984	3.3
108.05769	1.4
108.08128	3.4
109.06471	1.0
110.09663	6.0
115.03925	28.6
115.99942	0.9
120.08102	3.4
121.06518	4.2
122.03659	3.8
123.04441	1.6
124.07603	1.3
127.03951	1.3
128.06255	0.9
129.07059	1.1
131.04947	3.4
133.04968	33.5
133.06473	13.3
135.04428	3.8
135.08031	1.2
136.05206	4.8
136.07571	1.6
137.05974	67.4
138.06371	1.0
138.08209	1.1
138.09111	5.7
142.91507	1.1
145.04961	2.9
145.06519	2.0
146.07233	1.7
146.65878	1.0
147.08054	6.9
149.02400	1.4
150.06734	1.4
151.03914	4.2
151.07539	65.3
161.05983	1.2
163.07544	9.8
164.93370	1.0
165.09099	6.1
166.08615	13.4
167.03403	1.3
171.08052	1.1
172.03920	2.6
173.06052	1.4
175.07542	1.4
177.09111	21.7
179.03448	1.6
188.08298	1.0
189.09128	3.6
191.03442	1.0
191.10666	1.2
202.09860	2.0
203.10721	4.1
204.06573	4.0
217.12198	2.6
221.04353	1.1
233.04446	1.1
237.10220	0.9
245.08009	5.1
253.09755	1.2
257.08035	1.6
259.08075	1.4
265.09790	2.5
267.11279	1.6
269.08157	5.8
277.09232	1.1
281.09186	2.3
283.10837	1.5
287.09219	1.4
293.09015	2.2
295.10773	2.0
299.10355	1.1
309.14755	10.2
311.09811	3.5
321.08670	2.2
323.09155	3.8
325.11777	2.1
326.15100	4.7
327.09680	2.2
332.70847	1.0
339.09833	2.9
341.10944	4.4
341.17459	31.7
353.11099	2.9
359.12241	6.3
359.18268	4.4
371.11850	2.7
389.12418	1.5
446.16815	1.5
464.18143	2.0
474.16431	1.4
492.17749	9.0
506.19095	3.6
524.20251	3.7
538.21588	1.1
556.27600	1.3
557.21210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
52.59001	0.8
53.03947	1.6
55.01865	3.7
56.45483	0.9
65.03934	2.0
66.04252	0.8
67.05487	1.0
69.03421	1.7
69.78119	1.1
69.78445	1.7
70.06568	0.9
70.48438	0.8
77.03897	0.9
79.05486	5.0
81.07050	1.9
85.02908	4.6
91.05475	37.4
91.78005	0.9
93.07043	2.2
94.04174	2.6
95.04958	3.1
97.02893	1.8
98.23463	1.8
103.05466	17.1
105.03375	9.1
105.07030	10.5
107.04971	3.5
108.05753	1.6
109.06506	9.1
115.05447	3.4
116.96181	0.9
117.07005	2.1
119.04937	50.5
119.08508	0.9
121.06511	4.7
122.03638	4.8
123.08052	3.2
125.06004	1.0
125.50039	0.8
127.03918	1.3
129.06975	2.3
130.04128	1.0
131.04919	22.5
131.08505	0.9
132.05626	1.4
133.02837	2.0
133.06477	10.5
135.04433	1.8
135.08006	1.8
135.68382	0.8
136.05159	0.9
137.05971	100.0
138.06274	1.2
145.04897	1.8
145.06473	2.2
146.07179	0.8
147.04399	22.2
147.08060	2.8
149.05972	7.3
150.18639	0.9
151.03935	1.1
151.07527	24.4
157.06519	2.1
159.08029	2.9
160.05170	1.3
161.05971	31.1
162.06735	7.7
163.07529	19.7
164.08191	0.8
165.05563	1.8
167.07077	1.0
172.05208	1.8
173.05997	1.1
175.07544	26.9
177.05475	2.1
177.09129	1.0
179.07016	28.6
187.07518	13.5
187.09039	1.2
189.09128	3.0
190.06128	1.6
191.08563	2.6
193.08556	8.1
193.10141	1.3
205.08594	13.1
217.08594	3.7
219.08017	3.6
219.09949	1.4
231.07986	1.7
235.09633	4.6
247.07526	2.4
248.08449	1.0
251.10666	3.6
259.07623	1.5
279.10156	5.5
291.10236	4.7
296.10556	1.7
309.11179	14.3
310.11514	1.0
311.12775	12.8
312.13367	1.2
323.12738	3.0
329.13812	5.4
341.13788	8.9
359.14804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
53.98814	1.5
55.01870	2.4
64.07967	1.2
65.03954	3.2
68.52195	1.3
69.03429	2.6
69.46371	4.2
69.46777	2.9
77.03915	1.4
79.05495	2.9
83.28526	1.2
85.02895	5.8
91.05478	34.9
93.07018	2.8
94.04150	1.8
95.04977	3.7
96.50332	1.2
97.02860	1.4
101.36154	1.3
103.05463	42.4
105.03398	6.4
105.07028	23.0
107.04939	3.3
109.06511	5.8
115.05450	4.9
118.04210	1.7
119.04939	54.2
121.06469	3.5
122.03636	3.1
123.08099	2.9
129.06961	4.0
131.04926	100.0
133.02855	8.4
133.06496	21.4
137.05974	93.2
138.06317	1.5
143.06053	1.9
147.04399	17.7
147.08095	1.7
149.05977	6.8
151.07538	24.1
153.05472	1.5
157.06458	4.0
159.08044	3.3
160.05190	2.7
161.05968	73.6
162.06726	6.8
163.07535	53.3
165.05475	3.7
174.06764	1.6
175.07536	22.2
179.07022	22.1
187.07565	16.7
189.09100	9.2
193.08614	5.6
203.08612	1.6
205.08566	11.9
207.08057	1.5
217.08621	5.6
219.08032	4.9
231.07986	1.6
235.09601	3.6
247.07439	2.5
251.10655	5.2
259.07571	2.7
263.10684	1.5
267.10123	1.3
279.10162	5.8
285.11151	3.5
291.10187	3.9
309.11191	7.7
311.12747	18.0
323.12653	5.9
329.13885	3.7
341.13812	11.6
347.14880	3.8
359.14932	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
57.03429	1.2
63.27989	1.2
65.03945	3.0
66.04723	1.2
69.03441	1.9
70.43557	1.4
70.43877	1.7
72.08166	1.5
72.14285	1.4
72.57574	1.3
79.05486	4.2
81.07064	1.7
85.02916	7.2
85.18851	1.3
91.05479	26.9
93.07013	2.5
94.04199	1.8
95.04969	2.6
97.02888	3.3
103.05471	39.2
104.05791	1.5
105.03371	7.0
105.07034	15.0
107.04958	2.5
107.70909	1.2
109.06506	6.3
115.05470	3.3
119.04944	38.0
121.06483	2.5
122.03635	4.2
123.08073	2.5
128.06190	1.7
129.07007	5.8
131.04930	93.2
133.02866	4.7
133.06487	15.7
137.05978	100.0
138.06334	1.5
143.04936	3.3
143.06012	1.8
145.06528	1.9
147.04401	12.6
147.08084	2.0
149.05989	5.5
150.06784	1.2
151.07538	26.8
157.06519	5.6
159.08047	3.0
160.05083	1.9
161.05978	56.7
162.06734	5.3
163.07545	57.7
165.05496	4.3
165.06842	1.4
172.05196	1.7
174.06783	2.4
175.07553	26.8
177.09082	1.6
179.07030	17.8
187.07535	20.8
189.09125	11.9
191.08612	3.0
193.08675	2.6
203.08551	1.6
205.08641	9.6
207.10075	1.4
210.06769	1.4
217.08620	5.7
219.08058	3.7
221.05957	3.2
225.09016	2.3
231.08153	2.5
234.45569	1.4
235.09671	2.8
248.08279	1.5
251.10706	4.3
253.08632	2.1
259.07556	2.2
263.10770	1.7
267.10196	2.6
270.08871	2.4
279.10272	8.6
280.10791	1.9
280.72137	1.5
285.11255	8.8
291.10178	6.3
296.10629	2.0
299.12726	2.5
309.11325	6.6
311.12711	28.6
323.12738	9.6
329.13828	9.4
341.13821	15.2
347.14871	9.8
359.14926	2.3
556.20227	3.2
557.21844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37283	0.7
53.48358	0.6
55.91611	0.6
57.03432	1.6
60.08248	0.6
65.03938	1.8
69.03426	3.3
69.14503	4.4
79.05485	1.5
81.03396	1.2
85.02903	3.0
87.04464	1.9
91.05482	15.7
93.03416	0.9
93.07068	1.5
94.04162	1.6
94.06590	1.1
95.04957	1.0
96.08115	1.1
97.02885	3.0
103.05460	2.4
105.07027	2.9
106.04200	0.7
107.04966	5.6
108.05746	1.5
108.08153	1.3
109.06494	1.0
110.09655	2.7
111.04434	0.8
115.03929	3.6
115.05508	0.7
117.07018	1.9
120.08115	2.5
121.06509	4.5
122.03635	5.0
123.04411	1.1
125.05938	1.0
129.07010	0.8
131.04909	5.1
133.05008	3.6
133.06480	21.2
135.04430	1.7
135.08046	2.6
136.05194	5.6
136.07616	1.1
137.05974	100.0
138.06308	1.2
138.08148	0.7
138.09142	3.1
143.04863	0.9
143.08569	1.9
145.06456	2.9
146.07198	3.6
147.08037	11.4
149.05997	1.3
149.09712	0.8
150.06758	3.3
151.03925	22.9
151.07538	95.4
152.07921	1.6
153.05402	0.8
157.06476	1.4
161.05972	1.0
162.06746	1.7
163.07535	12.6
165.09109	8.1
166.08603	5.1
169.04947	3.1
171.08060	2.2
173.05974	0.8
174.06741	2.1
175.07558	2.5
176.08333	1.5
177.09103	25.9
186.10413	1.2
187.07529	1.3
188.08330	2.1
189.09108	5.9
191.10696	2.1
201.09105	1.4
202.09900	1.4
203.10657	7.3
204.06519	1.5
217.12248	3.2
235.13409	0.9
237.10226	0.8
253.09607	1.1
265.09698	1.2
269.07962	0.9
277.12436	0.8
278.13058	1.0
281.09229	1.0
281.12506	0.7
283.10703	0.8
293.09116	1.4
295.10812	1.5
309.14819	16.7
311.10358	1.1
313.09146	4.3
321.08737	0.9
326.15182	7.9
327.09818	1.0
339.09711	2.4
341.17477	48.3
342.17868	1.6
353.11240	0.8
359.12238	2.6
359.18539	6.6
371.12271	1.3
398.25491	0.7
464.17981	2.2
475.35782	0.7
492.17746	5.8
506.19052	1.4
524.20264	1.8
557.20331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77290	0.4
53.03958	0.4
55.01888	0.7
57.03914	0.3
61.02922	0.7
65.03934	0.4
69.03418	1.3
70.06590	0.7
70.53587	0.7
74.03934	0.3
79.05482	2.0
81.03423	0.8
81.07037	0.9
85.02903	5.2
91.03944	0.5
91.05481	3.8
93.07028	0.6
94.04191	2.3
95.04960	1.1
97.02903	1.8
97.86494	0.4
103.05473	3.2
105.07020	4.1
107.04939	4.9
108.05738	1.5
109.06513	1.4
115.05444	0.6
117.07023	1.6
119.04932	0.5
119.08584	0.7
121.06504	6.2
122.03661	5.5
123.08078	0.7
127.03936	1.3
128.06224	1.1
129.07014	1.4
131.04913	5.3
131.08557	0.5
132.05693	0.5
133.06487	23.0
133.10135	0.4
135.04414	1.5
135.08038	2.1
136.05208	5.1
137.05974	100.0
138.06326	1.6
143.04906	0.6
143.08545	1.6
145.04900	0.7
145.06503	2.3
146.07257	5.2
147.08043	10.5
149.05988	0.9
149.09613	0.5
150.06754	2.8
151.07536	91.8
152.07855	1.3
157.06477	2.2
159.08055	1.1
160.08871	0.8
161.05959	5.1
161.09554	1.0
162.06734	1.2
163.07532	12.4
165.09106	8.1
171.08029	2.8
172.08826	0.6
173.06003	0.5
174.06821	2.2
175.07582	3.4
176.08290	1.1
177.09106	24.9
185.09676	0.5
186.10335	1.0
187.07536	1.5
188.08302	2.7
189.09093	7.0
191.10637	1.8
201.09071	1.4
202.09859	1.3
203.10663	7.0
205.12245	0.5
207.10159	3.8
217.12254	4.0
219.10158	0.7
221.11746	0.9
235.13322	0.7
263.10657	0.4
265.08844	0.4
277.12296	0.9
278.12946	1.3
294.12463	0.6
309.14828	15.7
310.15207	0.7
326.15146	6.9
341.17462	49.2
342.17682	1.7
349.54346	0.4
355.15076	0.6
359.18503	6.8
360.19009	0.6
556.27167	0.5
557.21118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
54.00973	0.5
56.96553	2.6
67.05457	0.6
69.04535	2.9
69.46568	2.4
73.85789	0.5
77.03924	1.7
79.05492	4.5
80.06271	0.9
80.84788	0.5
90.04675	0.9
91.05489	3.8
95.04974	3.0
96.92234	0.7
98.23407	1.0
98.91971	2.8
98.97582	13.6
103.05437	1.2
105.03375	1.3
105.04522	1.4
105.07017	1.6
106.04144	0.9
107.04948	8.3
108.05752	4.0
109.06443	0.6
109.49303	0.5
115.05418	1.3
116.98621	10.4
117.07003	3.0
121.06514	2.3
123.08059	0.6
128.06236	2.6
129.07002	3.9
131.04883	2.7
133.06471	4.2
134.99669	3.3
135.04410	86.6
136.05258	3.1
137.06012	1.1
140.00180	1.1
143.08554	3.6
145.06517	3.3
146.07240	0.9
147.08052	0.8
149.05960	3.3
150.06779	1.2
151.07533	100.0
152.07913	1.0
153.09081	1.5
157.06471	3.7
158.01228	0.8
159.08070	1.7
160.08794	1.5
161.05949	1.8
163.07547	2.7
165.09103	4.4
171.08041	2.2
172.08797	2.3
173.05957	2.7
174.06758	1.0
175.07530	2.2
176.08321	0.8
177.00749	0.7
177.09106	8.6
177.22736	0.6
179.00200	0.8
179.10698	0.6
186.10437	0.8
187.07535	10.6
188.08302	4.9
189.09123	2.1
191.10674	3.2
197.01189	1.0
201.09076	4.9
203.10672	11.9
205.12303	0.8
217.12238	4.9
235.02661	2.5
236.03560	0.5
244.02132	0.5
247.03102	0.6
248.26010	0.6
253.03879	1.9
254.04529	0.9
289.19223	0.5
305.07135	0.7
307.13470	0.6
309.14871	1.8
321.10025	1.3
321.14932	0.6
324.13605	1.4
339.15884	5.8
363.11118	1.4
365.07108	0.5
367.12231	1.2
385.13144	1.6
395.11957	0.7
437.12796	8.3
455.13715	10.7
473.14893	1.6
478.15640	0.6
496.16306	0.8
497.14798	21.3
498.15384	1.1
515.15631	0.9
538.17621	0.6
540.87836	0.5
556.31897	0.9
557.16901	45.3
557.30811	1.1
558.17175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2357
Annotation	Interiotherin C
Peak:m/z	Relative Intensity
69.48734	0.4
69.49124	0.5
78.58178	0.2
86.01501	0.3
93.73884	0.2
109.06574	0.3
109.20236	0.2
136.05208	0.6
137.05966	0.6
138.06779	0.3
148.05193	1.5
151.07541	4.1
159.08063	0.3
165.05537	0.3
165.09131	0.3
166.06262	1.6
167.07120	0.3
177.09149	0.5
181.08598	12.8
182.09084	0.3
187.07587	0.2
188.08340	0.4
189.05211	1.3
189.09166	0.5
193.08646	0.2
195.06305	0.5
195.10205	0.5
202.09969	0.9
203.10715	0.6
207.10162	0.4
231.10196	0.3
233.11754	1.0
317.13513	0.5
384.19000	0.3
400.18768	0.4
415.21414	0.4
455.20035	0.6
482.19308	0.4
497.21320	3.0
498.21606	0.3
542.21295	1.1
554.74628	0.2
557.23578	100.0
558.23895	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3087
Annotation	Dronedarone
Peak:m/z	Relative Intensity
55.05510	1.2
57.07074	1.9
67.05490	1.1
69.54504	2.6
71.08634	1.0
81.07049	0.9
83.20328	0.9
85.10183	1.1
89.06027	8.7
91.05483	1.1
95.08595	1.1
98.23049	3.0
105.07085	1.3
113.00597	0.9
133.08615	4.3
145.10072	1.1
177.11203	1.3
261.61734	1.0
371.22916	2.2
372.22974	1.1
437.74860	0.9
556.52460	1.0
557.30774	100.0
558.31262	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.1
53.89914	0.1
55.01864	0.1
56.05029	0.2
59.73883	0.1
62.09976	0.1
68.05032	0.2
69.03463	0.2
70.02946	0.2
70.06586	0.3
72.08144	0.3
74.02425	0.8
79.05451	0.1
83.06093	0.2
84.04501	4.4
84.08152	0.1
85.02924	0.2
86.09705	0.3
88.03970	0.2
91.05457	0.4
93.05765	1.2
93.17565	0.1
95.04969	0.2
95.08622	0.2
96.04506	0.1
100.03952	0.2
104.04968	0.2
106.06519	0.2
108.02846	0.1
108.08067	0.2
109.06497	0.8
109.07659	0.2
110.06041	0.2
112.03932	0.2
117.05807	0.1
118.05061	0.2
121.05231	0.4
121.06493	1.0
124.07605	0.6
129.06636	0.2
130.05009	0.7
131.04893	0.3
133.05162	0.1
136.07567	100.0
137.06026	0.6
137.07912	1.1
138.09122	0.4
139.07518	0.4
141.06522	0.1
146.04610	0.2
146.05981	0.4
148.07571	0.5
149.07050	0.1
151.03828	0.1
155.08171	0.2
160.07556	0.3
162.05495	1.1
162.09131	0.8
164.07060	2.5
165.06570	0.2
172.07616	0.6
173.08401	0.2
174.09122	1.6
175.06248	0.1
176.07092	0.3
177.05421	0.1
184.06294	0.3
185.04730	0.1
188.07103	0.3
189.10249	1.3
190.08591	1.3
192.06529	1.7
199.08710	1.0
200.07048	1.2
200.08841	0.2
201.10254	0.4
202.08691	0.5
203.23817	0.1
211.07016	0.2
217.09712	3.5
218.08109	0.7
220.09712	0.2
235.10774	1.5
245.09106	0.6
251.10245	0.1
257.07642	0.4
261.17062	0.3
263.10257	6.8
264.08575	1.4
265.11801	0.8
269.11194	0.3
281.11304	10.5
282.11581	0.1
317.14203	0.1
329.11157	0.2
347.12442	0.6
374.13394	0.3
392.14404	1.5
393.12964	0.4
410.15546	8.2
411.15872	0.2
438.91724	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10963	1.0
52.76254	1.2
53.55604	1.1
55.01860	1.9
65.03948	1.4
68.31284	1.1
69.03417	1.8
70.06583	2.0
71.46245	1.2
77.74648	1.1
79.05482	4.4
81.03421	2.1
85.02891	4.7
86.09694	2.0
91.05473	20.1
93.07039	2.1
94.04168	1.7
95.04947	4.2
96.04465	2.2
97.02863	1.5
103.05468	16.8
105.04525	2.1
105.07030	10.8
107.04955	25.7
109.06523	2.6
110.07111	1.3
115.05450	4.0
117.07016	2.0
119.04940	15.4
121.06519	5.6
122.03611	3.3
127.03944	1.7
129.07007	6.1
131.04915	20.5
131.08540	2.9
133.02882	4.8
133.06487	7.5
135.08046	8.2
137.05977	85.6
138.06291	1.7
145.06505	1.6
146.07245	3.4
147.04416	12.5
147.08038	1.5
148.05206	2.9
149.05968	11.8
151.07535	46.3
157.06506	5.9
159.04469	1.6
161.05974	88.3
161.09604	15.5
162.06732	7.1
163.07535	56.9
165.05473	1.4
165.06941	2.0
165.09129	2.8
167.07097	1.3
167.08578	3.5
174.06752	4.8
175.07523	11.2
177.05510	2.0
177.09119	2.5
179.07022	4.3
181.08600	13.1
189.09099	56.5
190.09467	1.6
191.07031	3.7
193.10127	2.4
195.08067	6.5
195.09909	1.7
201.09042	2.0
207.10149	100.0
208.10440	3.0
209.09589	1.5
211.07571	1.3
216.04788	1.3
219.10161	8.7
221.06061	2.1
221.09569	2.9
222.06880	1.5
223.07492	4.6
224.08287	1.6
225.09248	1.6
227.10681	11.1
235.07619	1.3
237.09232	1.6
249.09140	2.6
253.08632	4.9
253.12253	5.3
255.10071	10.2
265.08566	1.5
267.10126	3.4
270.08951	1.4
281.11746	2.3
284.10275	1.6
285.11224	11.1
287.12784	24.8
297.11218	2.6
299.12799	5.5
311.12811	11.2
311.91449	1.4
313.10666	2.0
313.14301	36.0
325.14462	1.9
331.15387	84.3
332.15610	2.9
343.15442	7.8
558.21246	5.0
585.06317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.4
55.01870	2.6
61.02920	2.9
69.03422	11.7
70.06590	2.8
70.17490	3.6
70.17809	2.7
79.05495	4.1
81.03421	6.7
84.92137	2.2
85.02903	18.9
91.05471	14.2
93.07014	2.2
94.04151	2.2
95.04958	5.3
97.02904	4.7
98.23328	2.3
103.03949	1.8
103.05470	13.5
105.07029	12.8
107.04944	22.1
109.02881	4.2
115.05501	2.6
117.06979	2.3
119.04931	14.7
120.59575	1.7
121.06496	6.7
122.03666	4.4
127.03931	8.9
128.06212	3.1
129.07022	4.1
130.06520	11.0
131.04922	13.3
131.08574	2.5
133.02872	11.1
133.06467	12.7
135.08055	6.6
137.05975	100.0
138.06354	3.3
145.06459	2.8
147.04382	19.1
149.05977	16.7
151.07526	31.2
157.06528	4.2
161.05977	66.2
161.09604	13.2
162.06728	6.1
163.07533	57.4
165.05457	3.9
165.09114	6.3
167.07027	6.0
168.25490	1.7
171.08061	2.0
172.07520	2.0
174.06725	4.1
175.07532	12.2
176.07056	2.4
177.05449	6.7
177.09186	3.4
179.07039	23.8
181.08633	10.2
187.07510	3.8
189.09099	36.5
191.06975	10.3
192.70547	1.9
195.08012	3.9
203.06984	4.2
203.10492	2.2
205.08772	2.5
207.10165	83.8
209.06168	2.1
215.06938	2.9
217.08640	3.3
219.10101	3.9
221.05791	2.0
225.11115	3.0
227.10603	4.4
229.08636	4.0
237.08717	2.2
241.08600	2.4
245.08156	2.6
249.11267	2.7
253.08597	2.2
255.10077	3.2
273.11234	6.1
275.09039	2.7
285.11227	5.7
287.12827	5.3
291.12210	12.7
293.10178	2.9
297.11304	2.7
311.12161	3.0
313.14240	12.4
331.15372	38.4
343.15396	12.3
426.47415	1.9
469.18555	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03442	2.8
67.05502	4.6
69.03430	6.5
69.73648	3.7
69.74053	3.6
70.06582	2.2
77.03931	1.7
79.05503	2.8
81.03407	4.2
81.07053	1.7
85.02905	16.2
91.05470	16.5
93.07037	1.7
94.04156	1.5
95.04976	4.4
97.02889	6.2
103.03915	1.7
103.05463	15.8
105.07024	14.3
107.04950	28.2
109.02866	1.9
109.06523	2.6
109.10132	3.9
115.05469	4.5
117.07032	4.3
119.04955	17.2
119.08557	1.8
121.06492	8.9
122.03646	5.9
125.42815	1.5
127.03912	6.5
129.07027	5.3
131.04919	26.0
131.08609	3.2
133.02861	7.8
133.06477	13.0
135.04333	1.8
135.08052	9.8
137.05974	100.0
138.06302	2.9
143.08647	1.5
145.04947	4.6
146.07283	2.6
147.04401	15.5
149.05959	17.5
149.09674	1.7
151.03957	2.3
151.07533	43.0
157.06544	5.3
161.05974	73.4
161.09596	15.2
162.06726	6.6
162.09810	1.6
163.07530	67.3
164.08031	1.7
165.09129	5.5
167.07036	2.6
167.08612	2.1
171.43452	1.5
174.06711	3.1
175.07530	13.1
176.08012	2.7
177.05461	3.1
177.09084	9.6
179.07030	13.1
181.08556	11.4
183.10298	1.7
187.07539	3.1
189.09084	45.0
191.07077	7.6
193.08577	2.7
195.08073	4.6
195.10051	2.3
197.23572	1.5
201.09114	2.1
203.06995	3.2
207.10150	89.0
208.10526	2.0
219.10178	6.1
221.11714	2.5
223.07509	1.7
225.09155	3.2
227.10637	7.5
229.14346	7.0
241.08376	1.7
253.08543	4.1
253.12173	4.9
255.10130	7.1
273.11185	2.3
275.09210	2.2
281.11545	2.8
285.11230	5.2
287.12799	16.1
291.12244	5.9
297.11206	4.0
299.12720	5.6
301.14496	2.6
309.13248	2.0
311.12903	9.5
313.14322	20.6
323.11395	1.7
325.16608	3.6
331.15369	60.3
332.15811	2.3
343.15164	7.7
361.18710	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06666	0.2
56.05039	1.1
58.06597	1.0
60.08168	4.9
61.09418	0.3
67.05516	0.4
69.80423	0.5
69.80807	0.6
71.07379	3.8
79.05483	0.3
81.07059	0.3
83.08631	0.2
86.09712	21.9
93.07092	0.3
98.23151	0.8
104.10747	100.0
105.07024	0.2
105.11094	0.7
105.76949	0.2
106.51279	0.2
137.71497	0.3
162.95663	0.6
190.99176	0.2
191.53838	0.2
499.22235	27.0
500.22446	1.2
540.27515	0.9
558.29370	15.4
559.31256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46246	0.9
57.07093	0.8
67.05499	6.2
68.01561	0.8
69.07071	2.8
69.09733	1.1
69.10133	4.4
70.06593	1.0
76.27557	0.7
79.05489	3.8
81.07056	5.8
86.09703	100.0
87.10035	1.0
88.11253	1.4
91.05476	4.8
93.07051	3.7
95.04959	1.3
95.08614	2.2
98.22689	1.5
105.07007	4.1
107.08578	2.6
109.10157	1.5
117.07011	2.4
119.08588	3.0
121.10145	2.5
129.07042	0.7
131.08565	3.2
133.10159	1.9
143.08560	0.9
145.10129	2.0
146.11752	44.1
147.11702	1.5
157.10051	0.9
159.11678	2.8
161.13225	0.9
163.14891	1.2
171.11719	1.5
185.13216	1.7
204.45193	0.8
262.58118	0.8
338.26910	0.8
395.32739	1.2
558.43048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31504	0.4
55.05509	1.4
57.07078	0.9
64.89610	0.5
65.03939	0.6
67.05497	8.7
69.07061	2.1
69.98450	1.1
69.98769	0.5
71.08611	0.7
79.05483	7.0
81.07058	7.8
83.08590	1.1
85.06548	0.6
86.09700	100.0
87.10034	1.0
87.80381	0.5
88.11280	1.6
89.04633	0.5
91.05475	9.2
93.07040	6.4
95.04964	1.2
95.08602	4.6
98.23187	0.9
105.07020	4.7
107.08585	3.4
109.10152	1.6
111.08035	0.7
114.63174	0.5
117.07005	2.4
119.08578	3.9
121.10145	4.2
123.11707	0.8
129.07007	1.4
131.08542	4.6
133.10130	4.6
134.10458	0.5
135.11702	2.3
137.13235	0.7
143.08563	1.2
145.10121	3.8
146.11752	52.0
146.28482	0.5
147.11771	2.2
148.29491	0.5
149.13223	1.2
155.08572	0.5
157.10133	1.4
159.11678	2.1
161.13266	1.5
163.11194	0.8
163.14862	0.7
169.10107	0.6
171.11671	1.5
173.13324	1.1
175.14772	1.1
177.16396	1.1
178.23157	0.5
183.11676	0.7
185.13228	1.3
187.14789	1.2
189.16426	1.0
203.14410	0.7
213.16278	0.7
217.19577	1.1
245.22682	0.7
257.22607	0.5
370.41418	0.5
395.33261	1.1
480.42209	0.7
522.43036	0.5
540.44135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.11508	0.8
67.05485	1.0
69.22066	5.0
81.07020	0.9
98.22728	2.0
112.03185	0.8
130.87538	0.9
291.74692	0.8
315.19318	2.0
466.50330	0.9
559.36060	100.0
560.36420	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50688	1.3
55.05519	2.0
57.03440	1.6
63.35760	1.3
69.03419	3.3
69.17501	8.9
72.50493	1.3
83.42165	1.3
85.02911	9.5
85.06535	2.4
97.02896	3.3
100.11283	2.7
109.02897	3.1
119.67428	1.5
127.03907	2.3
133.10139	1.5
145.10106	1.3
146.08055	1.3
151.24567	1.6
182.15468	2.4
189.67047	1.3
206.07315	2.0
219.08031	2.2
233.06148	2.3
234.06750	4.6
235.07530	2.6
247.07314	1.7
248.08368	5.6
249.05382	2.0
249.09041	6.4
259.20755	2.0
262.06207	5.5
263.06982	4.3
264.07858	5.7
274.06290	2.7
275.07141	4.0
276.07755	4.1
277.08554	18.4
278.09338	2.6
279.10114	12.2
289.04715	2.2
290.05701	4.4
291.06470	3.6
292.07263	3.4
303.06302	1.8
304.07510	1.4
305.04779	2.6
305.08105	37.0
306.08679	4.7
307.09732	16.6
319.06207	1.9
320.06766	4.6
321.07495	2.7
322.08182	2.7
323.09109	5.0
333.07571	21.8
336.10040	2.7
337.10675	7.9
349.07080	12.6
351.08600	84.3
352.08966	2.9
363.08661	18.2
364.09113	1.7
365.10196	2.0
381.09659	100.0
382.09946	3.3
399.10611	3.6
507.12991	1.5
560.26953	2.2
561.21283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
55.01867	2.1
57.03450	2.8
60.01868	1.2
61.02924	3.9
61.72653	1.3
68.04764	1.2
69.03432	31.3
69.16078	8.4
70.06602	1.9
71.01375	1.4
71.05009	2.3
72.08147	2.6
73.02918	4.8
81.03413	31.1
85.02906	32.5
86.09715	1.8
97.02897	16.8
98.22733	3.1
99.04449	7.4
103.03958	5.5
103.05484	3.0
105.03408	3.4
109.02880	27.3
115.03957	3.0
127.03910	30.1
130.06528	3.4
131.04930	25.5
131.06868	1.5
133.04961	1.8
137.06006	3.8
145.04939	8.6
151.07573	1.5
159.04414	100.0
161.06001	2.8
163.07547	1.7
166.90729	1.4
169.04970	2.0
175.06061	3.1
177.05475	57.2
183.06578	2.0
187.04192	2.7
187.06010	38.6
189.05460	4.4
189.09128	1.7
197.05943	3.2
201.05447	2.7
205.07066	23.2
207.10097	1.5
211.07600	2.2
221.06071	2.2
225.05505	3.5
239.07045	5.2
241.87068	1.1
243.06522	5.0
249.05569	1.5
267.03946	2.1
267.06531	18.6
278.01727	1.2
285.07547	5.6
303.08499	2.8
322.11020	1.2
327.08633	5.1
345.09674	6.1
363.10608	10.6
381.11838	11.0
560.31390	1.6
561.19501	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53729	1.1
53.03945	3.2
55.01869	2.0
55.05499	1.3
57.03427	1.9
61.02943	1.9
67.05503	3.4
69.03419	13.9
71.04977	3.7
79.05492	6.8
81.03416	8.0
81.07057	7.1
85.02902	16.5
91.05479	12.7
93.07023	6.3
95.04955	2.7
97.02895	34.9
99.04452	5.6
103.05463	2.8
105.03408	1.2
105.04545	1.3
105.07032	14.0
107.04950	69.5
107.08600	1.8
109.02895	3.2
115.05476	3.1
117.07019	6.3
119.04925	1.5
119.08602	2.7
121.06511	7.2
127.03911	11.5
128.06203	6.6
129.06992	13.2
130.07802	1.3
131.04945	1.2
131.08562	8.8
133.06496	1.9
137.05957	2.6
141.06978	16.9
142.07771	9.1
143.08556	17.6
144.09361	1.0
145.04959	22.6
145.06421	1.8
145.10130	4.4
149.05988	4.3
151.07535	2.3
153.05516	7.0
153.06961	7.2
154.07745	2.6
155.06104	1.2
155.08545	27.4
156.09348	2.0
157.10133	29.2
159.08093	2.0
159.11696	1.9
161.05922	1.4
165.05585	1.2
165.06985	1.8
166.07774	3.8
167.08551	6.2
168.09338	20.8
169.06549	2.9
169.10123	4.3
170.10825	1.2
171.08043	1.7
173.05952	2.5
173.09546	1.5
173.13196	2.6
178.07732	5.2
181.06505	1.7
181.10107	13.4
182.55243	1.2
183.08151	2.8
183.11684	55.4
185.13280	3.0
187.07526	5.9
187.11212	1.5
193.10132	18.9
195.08096	1.2
196.08792	2.4
197.06537	1.0
199.11220	2.0
201.09100	6.5
201.12698	7.8
203.41443	1.1
211.11177	26.0
211.13104	1.9
229.12225	100.0
230.12544	2.4
247.13275	12.4
279.08578	2.7
289.15744	1.8
297.09705	6.6
317.15295	4.1
335.16385	23.4
336.16742	1.4
363.21835	1.2
377.07397	0.9
381.09647	1.6
381.17276	1.9
507.20392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
52.26682	0.2
53.03949	0.4
57.03429	0.6
61.02924	0.5
67.05504	0.6
69.03428	15.1
71.04990	0.3
71.52042	0.3
79.05482	1.6
81.03407	0.8
81.03873	0.2
81.07056	0.8
85.02908	4.9
87.04475	0.4
88.70705	0.2
91.05471	1.5
93.07043	0.7
95.04964	0.8
97.02892	3.1
98.23525	0.5
99.04478	1.5
103.03947	0.4
103.05485	0.3
105.04464	0.4
105.07064	1.2
107.04949	100.0
108.05283	1.0
109.02870	1.0
109.10133	0.3
115.03808	0.2
117.07021	0.7
119.04879	0.3
119.08585	0.7
121.06490	2.0
127.03912	14.0
128.06227	0.4
129.07022	1.0
131.08542	1.0
133.06471	0.4
137.05928	0.3
141.06992	1.5
142.07784	0.9
143.08548	1.2
145.04958	4.8
145.06432	0.6
145.10118	0.4
151.13826	0.3
153.05470	1.1
153.06767	0.5
155.08582	2.5
157.10133	2.0
159.08044	0.4
165.05443	0.3
165.06944	0.3
167.08621	0.4
168.09378	1.2
169.06573	0.4
169.10158	0.4
171.07933	0.3
171.11638	0.3
173.06024	0.3
178.07803	0.3
181.10144	0.8
183.11674	3.7
187.07596	0.5
189.05455	0.4
191.07043	0.6
193.10062	1.5
196.08826	0.3
201.09167	0.4
201.12727	0.8
211.11174	1.7
219.06570	1.0
229.12236	5.0
233.08034	3.3
233.10127	0.3
247.13388	0.4
261.07617	0.9
279.08600	2.5
297.09668	21.8
298.10007	0.3
317.15311	0.9
335.16446	3.5
393.23898	0.3
433.39505	0.3
538.86554	0.2
560.35602	0.4
562.58856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17856	12.5
55.05521	13.2
55.68846	11.0
57.03417	14.7
57.66040	13.2
58.13491	11.9
61.02941	12.9
67.05494	68.6
69.07049	37.4
69.54990	46.8
79.05482	43.3
81.03419	20.8
81.07052	61.7
82.49686	12.8
83.08630	22.4
85.02879	15.1
91.05497	31.3
93.07030	38.9
95.08606	71.0
98.98470	69.5
104.10720	40.5
105.07037	18.6
107.08598	32.1
108.85773	11.7
109.10145	43.3
115.45309	11.5
119.08579	15.4
121.10162	28.1
123.11681	16.5
133.10130	14.2
135.11658	23.0
140.48686	12.8
147.61252	11.0
149.13222	22.3
155.01064	44.7
175.14780	16.3
193.21149	12.8
243.20981	21.7
261.22113	100.0
262.22290	12.8
263.23584	17.4
286.27853	13.0
337.27368	51.1
353.26804	35.1
374.73563	14.0
423.02057	16.2
452.03711	14.1
548.13287	16.0
560.32959	63.4
561.33765	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
60.09058	0.6
67.05510	5.2
69.07051	1.6
69.11365	3.9
71.08619	0.7
79.05478	3.4
81.07066	5.5
83.08634	0.8
83.53815	0.5
86.09702	100.0
87.10046	1.4
87.78595	0.7
88.11276	1.6
89.16835	0.6
91.05482	3.6
93.07040	5.3
95.04903	0.8
95.08600	5.3
98.22665	1.1
105.06995	3.1
107.08600	1.3
109.10151	1.7
111.11718	0.7
117.07017	1.3
119.08566	2.6
121.10130	3.7
123.11678	0.9
131.08557	3.4
133.10101	2.1
135.11702	2.3
143.08456	0.8
145.10127	2.4
146.11752	67.0
147.11760	1.4
149.13229	1.0
159.11679	1.2
161.13281	1.2
171.11691	0.9
173.13246	1.3
195.39319	0.8
227.17799	0.8
299.27496	0.9
362.12473	0.7
397.34491	2.4
482.43530	1.6
501.10992	0.8
514.86420	0.7
542.45447	1.3
562.15918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
55.12373	0.7
67.05506	7.5
69.07066	1.9
69.11074	2.7
69.11483	1.6
79.05502	4.8
81.07046	7.1
83.08614	1.9
86.09707	100.0
87.10049	1.1
88.11279	0.9
91.05492	6.3
93.07039	6.5
95.04945	0.7
95.08596	4.6
97.06532	1.3
97.10182	1.5
97.51553	0.7
98.93034	0.7
105.07042	4.7
107.08604	3.6
109.10167	2.2
117.07021	2.0
119.08590	3.7
121.10134	5.1
131.08571	3.9
133.10133	3.5
135.11676	3.0
145.10117	3.0
146.11763	54.1
147.11732	1.7
149.13185	0.9
157.10255	1.0
159.11755	2.0
159.94609	0.8
163.11232	0.9
171.11804	0.9
173.13309	1.4
177.12730	1.0
185.13344	0.8
187.14661	0.8
254.30493	0.8
379.33627	0.9
397.34616	1.5
457.38199	0.9
482.43787	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1945
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
54.74470	0.3
69.03425	0.6
69.49481	1.5
70.06589	0.6
72.08149	0.5
81.03411	0.4
81.07056	0.5
83.01096	0.5
84.01873	0.4
84.08146	0.6
85.02920	0.7
85.59941	0.5
86.09715	0.8
91.05488	1.5
95.01091	1.6
96.01883	0.9
97.02831	0.6
98.22742	0.7
103.05475	0.6
107.04923	0.5
109.02879	0.9
109.06477	0.4
109.96375	0.3
111.04396	0.4
112.01383	0.7
113.02143	2.2
119.04948	1.5
130.06516	0.7
131.04913	1.0
137.05983	1.0
145.05025	0.4
147.04445	0.9
151.07549	0.9
153.19287	0.4
159.04449	1.6
160.04820	0.7
167.03287	0.8
177.05476	1.1
178.05807	0.4
179.06953	0.4
185.04216	4.1
185.05728	0.7
187.06131	0.4
201.03740	1.5
202.06006	7.1
203.05246	6.1
203.06931	0.6
283.15546	0.6
288.12555	0.4
301.16574	0.7
351.12125	1.6
381.12262	0.6
561.19373	100.0
562.19751	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2016
Annotation	(+)-Siddiquine
Peak:m/z	Relative Intensity
56.96561	3.5
67.05495	0.8
69.70177	0.6
69.70514	1.6
78.45590	0.4
91.05489	1.4
95.41232	0.5
98.23402	0.8
98.97581	23.6
100.11275	0.5
107.04977	1.9
108.05757	1.3
116.98615	12.2
121.06443	0.5
121.24098	0.6
134.99643	4.7
135.04437	1.1
136.05185	1.2
137.05968	0.7
138.06728	0.8
140.00198	0.6
148.05173	3.0
151.07536	30.0
152.07994	0.6
153.00703	0.6
158.01239	0.5
161.06024	0.5
165.09142	0.8
166.06258	1.8
172.08867	0.6
173.09734	0.6
177.09117	1.4
179.00211	1.9
181.08575	16.4
181.10074	1.0
188.08270	1.0
191.10707	0.8
197.01170	2.6
201.50604	0.5
203.10716	1.1
209.01251	1.9
215.02161	0.6
217.12143	0.6
221.01166	0.9
223.02747	0.9
227.02266	6.4
235.02779	5.3
235.84224	0.6
236.03604	2.1
239.02409	0.7
241.03903	0.9
245.03372	1.6
249.04517	0.8
250.01534	1.6
251.02406	0.9
253.03839	5.9
254.04659	2.1
254.13535	0.6
265.03815	18.1
266.04602	2.3
268.02664	1.7
269.03333	1.5
277.10974	0.5
283.04877	30.4
284.05621	2.5
287.72040	0.5
301.05914	1.8
306.06573	3.2
337.09714	0.6
349.16696	1.5
373.87741	0.6
399.11108	0.7
400.11795	0.6
411.11157	2.1
414.09827	1.1
415.14691	1.3
416.11508	0.9
418.47110	0.6
429.12061	3.1
441.11734	2.5
456.14551	2.1
471.12900	15.4
486.15652	6.8
489.18210	1.0
501.17932	37.7
502.18451	2.1
546.17670	1.0
561.20032	100.0
562.20508	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.2
68.05016	0.7
69.03426	0.6
70.06588	1.6
72.08150	1.8
74.06101	1.0
79.05492	1.6
84.04499	8.1
84.08144	1.2
85.02896	1.5
86.06068	0.7
86.09692	1.9
94.06554	1.1
103.50905	0.7
106.06549	100.0
107.06886	1.6
114.05530	2.7
118.06516	2.4
127.86356	0.7
129.10233	1.4
130.05002	1.8
130.06528	2.8
134.84370	0.7
142.05031	1.2
144.08089	2.3
147.07576	1.0
154.06450	0.9
162.09120	1.9
163.07591	0.8
171.09164	46.5
172.07579	4.8
172.09770	1.3
174.09134	2.5
189.10236	2.3
190.08563	2.6
200.06935	0.7
201.31718	0.7
217.09715	37.8
218.08139	7.4
218.10101	1.1
235.10765	80.1
236.11108	1.6
399.12750	1.4
399.17618	18.7
561.19354	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.4
55.01870	27.1
55.05512	21.8
57.03431	20.9
57.07085	3.0
59.53551	2.7
60.55847	2.9
61.02910	8.2
61.69807	2.5
63.28555	2.6
65.03900	4.0
67.05169	4.4
67.05502	78.5
69.03426	56.4
69.07055	16.4
69.68277	2.8
69.68609	11.4
69.94172	3.1
71.04991	5.3
71.66891	2.8
72.69490	2.7
73.02912	48.7
79.05495	45.8
81.03024	3.0
81.03411	31.4
81.07053	100.0
83.04945	13.1
83.08595	10.2
85.02896	37.7
85.06525	3.5
91.05024	3.0
91.05474	33.8
93.07039	57.6
95.04937	8.6
95.08596	79.3
97.02885	19.7
97.06509	5.5
97.10127	5.0
98.98446	2.8
99.04440	19.5
99.08059	5.4
105.04497	2.6
105.07042	23.2
106.97985	3.7
107.08057	2.5
107.08591	27.9
109.02876	79.0
109.06528	3.8
109.09525	3.5
109.10152	42.7
110.03642	13.3
111.04436	63.6
111.08041	3.4
117.06997	7.8
119.08546	22.0
121.09380	3.3
121.10138	31.8
123.11687	18.8
124.93797	3.0
127.03892	34.4
131.08542	18.4
132.99535	22.7
133.10121	14.5
135.11661	21.5
137.13225	10.8
138.58926	2.7
139.11166	3.7
143.08498	3.5
145.10103	14.2
147.11667	15.7
149.13246	15.6
151.00531	9.3
159.11635	12.4
161.13231	10.5
163.14792	6.0
173.13213	16.1
175.14749	5.4
187.14813	6.8
191.00082	32.5
201.16341	3.5
209.00998	11.5
243.20966	9.9
261.22122	40.8
265.03607	3.0
279.23026	3.7
303.23074	3.3
317.24924	4.1
335.25787	44.6
337.26987	3.5
561.26617	95.6
561.33716	21.6
562.26514	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
58.06598	4.3
59.07376	1.3
60.08163	49.5
64.88991	0.4
67.05502	1.2
68.62228	0.4
69.03432	0.7
69.07073	3.4
70.06581	0.7
70.82420	0.6
71.04991	0.5
71.08628	0.5
72.08157	0.7
79.05475	0.6
81.07037	0.5
82.06573	1.4
83.04981	0.6
83.08633	1.5
84.08145	4.0
85.02896	1.3
86.09705	29.4
91.05508	1.1
93.07038	0.6
95.04975	1.0
95.08643	0.4
96.08144	0.8
97.02864	0.6
97.06526	9.0
100.11252	5.0
105.07028	0.5
107.04937	0.7
109.02859	0.5
110.06051	1.8
110.09705	0.5
112.07629	1.4
112.86626	0.4
114.09158	1.9
114.12807	0.7
119.04935	1.5
119.07352	1.0
121.06420	0.5
123.04449	0.9
124.07598	0.9
126.09120	0.6
126.25553	0.4
127.03934	0.6
128.07109	0.5
133.10146	0.5
135.06810	1.0
135.07881	0.4
136.07573	2.8
138.09189	0.7
139.08643	0.6
139.09666	0.4
141.10217	0.5
145.06546	0.4
149.09648	0.5
152.10687	1.2
152.14311	0.6
154.08601	0.8
154.15886	0.9
155.08224	1.4
160.07590	1.2
165.05519	1.5
166.12256	0.5
167.08252	0.5
169.09789	0.4
171.04488	0.5
173.09676	1.1
173.16469	2.0
177.09109	4.1
180.13884	2.3
182.08113	1.4
182.15364	2.1
185.09727	0.6
187.11096	0.6
189.09102	4.1
190.12323	3.1
200.10788	0.7
202.12238	6.1
208.13303	3.0
209.16539	2.2
210.14946	1.1
213.09203	0.5
219.10156	3.2
223.14522	1.1
226.19153	1.1
230.11823	0.5
231.10143	3.8
236.12881	1.2
248.12787	5.2
265.15634	0.7
267.73230	0.4
272.14151	0.5
275.13892	1.0
295.16672	0.7
315.20691	1.0
336.22906	2.5
337.21313	0.5
355.08194	1.5
358.21344	2.8
360.40674	0.4
361.21298	0.9
389.20770	0.5
399.10754	1.7
404.21768	0.7
474.30182	0.4
492.46393	0.4
502.28995	6.7
503.29327	0.7
533.36963	7.4
561.36383	100.0
562.36768	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.27733	0.2
55.01860	0.3
57.03432	0.4
60.39017	0.2
61.02905	0.3
61.64432	0.2
66.19102	0.2
69.03428	1.6
69.23738	0.4
69.24025	1.3
69.57874	0.2
81.03430	0.5
85.02901	5.5
91.03947	0.2
97.02888	1.0
109.02882	0.7
113.71279	0.2
115.03880	0.2
127.03904	0.6
144.05682	0.2
145.04967	0.4
168.00424	0.2
168.55482	0.2
172.05205	0.8
177.05464	0.2
189.06982	0.3
195.08133	0.2
199.07491	0.3
205.06424	0.3
206.07129	0.3
207.08023	0.2
214.06259	0.6
215.07118	0.3
219.08069	0.7
220.08748	0.4
221.09515	0.4
223.07524	0.5
229.08559	0.5
230.09338	3.8
231.09828	0.2
233.05879	0.3
233.09534	0.3
234.06653	0.3
235.07542	1.4
236.08275	0.3
237.09059	0.3
246.06853	0.3
247.07542	1.6
248.08234	1.2
248.26324	0.3
249.09003	1.2
250.06404	0.3
250.09882	0.4
251.06995	2.3
253.08459	0.4
259.07458	0.5
260.08325	0.4
261.09094	0.8
262.06311	0.9
263.06992	2.1
264.07797	0.6
265.08621	1.1
266.05927	1.2
266.09409	1.0
267.06601	0.4
275.07019	3.3
276.07709	1.4
277.05386	0.4
277.08554	2.6
278.06421	0.4
278.09344	1.8
279.06546	1.1
279.10104	0.6
280.07217	0.8
280.10327	0.2
281.08038	0.6
281.11688	0.9
282.08817	0.3
288.07758	0.4
289.08615	1.2
290.05725	0.9
290.09338	0.6
291.06494	2.0
291.09930	0.6
292.04129	0.3
292.07288	0.8
293.08142	2.3
293.11307	0.4
294.08731	2.2
295.06183	0.4
295.09595	0.8
296.10391	0.5
303.06461	0.6
304.07391	0.7
305.08047	7.3
306.08829	8.9
307.05936	0.8
307.09607	2.4
308.06894	0.5
308.10370	6.3
309.07559	1.1
309.11121	10.7
310.11502	0.5
311.12781	0.2
319.06000	0.8
319.09653	2.2
320.10233	0.2
321.07483	0.9
321.11285	0.8
322.08344	2.2
323.09088	1.5
324.09882	3.5
331.73636	0.2
332.06924	0.4
333.07504	2.8
334.08322	10.1
335.05417	0.4
335.09088	0.9
337.10669	15.1
338.11368	1.8
339.12250	5.0
347.09152	1.5
349.07025	1.0
350.07800	2.2
351.08542	0.4
352.09445	1.8
365.05490	0.2
365.10178	7.8
383.11221	100.0
384.11453	3.2
475.76096	0.3
506.24789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05503	1.0
60.01847	0.6
60.67321	0.6
61.85835	0.6
67.05499	1.6
69.03426	2.4
70.06590	0.8
71.04974	0.6
71.46953	0.6
79.00309	0.6
79.05480	0.8
79.95913	0.5
81.03412	1.5
81.07066	1.7
83.08620	0.7
85.02920	2.9
87.39886	0.6
91.05471	0.8
92.17072	0.6
93.07031	1.0
95.08607	2.3
97.02884	1.2
97.06499	0.7
105.07068	1.3
107.08583	1.5
109.02876	2.1
109.06519	0.8
109.10157	4.1
119.08550	3.1
120.88025	0.6
121.10120	0.7
127.03940	3.5
129.05534	0.6
131.08603	0.7
133.10126	1.9
135.11703	3.3
145.02850	1.4
149.06033	0.8
175.14856	2.5
177.05493	4.0
187.11263	0.7
193.15884	1.8
198.19022	0.6
202.07838	0.9
203.08345	0.7
203.22978	0.6
211.16878	6.7
218.07222	1.2
219.08051	2.3
220.08797	1.4
230.07373	0.8
231.08238	1.1
232.08762	2.1
233.05965	0.9
246.06796	3.3
247.07533	5.4
248.08304	3.1
258.06677	1.2
259.07526	1.4
260.08301	4.3
261.05786	0.6
261.08997	1.4
262.09927	1.1
263.07028	0.8
263.10635	4.4
264.07709	0.8
273.05295	0.7
275.06973	6.5
276.07858	2.7
279.10086	1.5
289.08585	6.1
290.09344	1.0
291.06772	1.5
291.10110	10.0
292.07373	0.9
293.11703	1.4
296.29703	0.6
303.06506	11.1
304.07214	1.4
307.09683	3.2
319.09546	3.4
320.07031	0.9
321.11176	18.7
322.11798	0.8
333.07623	2.2
335.05466	1.2
335.09158	10.6
347.09116	2.8
347.18393	0.6
365.10181	100.0
366.10483	3.3
400.10907	0.9
562.22064	2.1
562.35236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.7
54.04243	1.4
55.01865	2.5
55.05516	3.4
56.86098	1.3
57.07086	12.6
58.56411	1.2
61.90134	1.3
65.71442	1.4
67.05504	8.6
69.03428	3.1
69.07063	2.5
69.75421	4.8
70.51990	1.3
79.05481	3.9
81.03424	1.4
81.07048	10.8
82.07397	2.8
85.06530	7.3
86.15993	1.8
91.05482	6.1
93.07043	5.4
95.04964	1.6
95.08611	7.8
97.02872	2.1
98.98476	6.1
103.03983	1.5
103.05459	43.5
103.06107	3.0
105.07023	17.0
107.08576	4.4
109.02868	1.7
109.10179	4.7
109.68283	1.5
111.04398	1.5
115.05464	3.6
116.07078	2.3
119.04939	11.5
119.08572	1.7
121.10181	3.5
123.11710	2.5
131.04922	100.0
133.06474	11.9
133.10086	2.1
135.11705	2.2
137.06000	6.2
143.06067	2.4
146.07268	1.6
147.04405	17.0
151.07516	3.1
155.01027	5.4
159.40309	1.6
161.05980	40.6
163.07532	38.4
177.05466	1.5
179.07040	32.6
187.07584	1.4
199.07533	7.3
203.08531	2.1
231.08023	3.9
232.08646	1.4
243.20917	1.7
245.22691	1.7
247.07411	1.8
258.46582	1.4
259.07458	3.4
261.22104	1.9
291.10236	15.3
301.14249	2.5
323.12772	9.4
334.43604	1.6
337.27356	2.7
338.27634	6.0
363.25232	4.8
393.16888	8.1
425.19565	5.0
457.97397	1.6
562.34332	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71739	0.9
52.50045	0.9
55.01862	3.1
55.05507	13.6
57.03428	2.6
61.02915	2.0
67.05502	12.9
69.03432	6.1
69.07064	16.3
69.17400	6.2
79.05495	13.2
81.03420	5.2
81.07048	13.3
83.04972	1.9
83.08605	7.5
85.02893	2.2
91.05476	10.1
93.07042	9.6
93.64918	1.0
95.04953	4.5
95.08588	4.8
97.02886	6.2
97.06521	1.3
97.10166	8.3
98.23415	2.2
101.14114	1.0
105.07011	9.9
107.04936	4.6
107.08583	8.2
109.10149	4.7
111.08119	1.2
117.07020	3.1
119.04960	1.1
119.08572	6.9
119.98809	0.9
121.06474	1.7
121.10137	5.3
123.08049	1.6
125.09627	6.2
129.06996	2.2
131.08575	4.2
133.06467	2.2
133.10115	3.2
135.08031	2.2
135.11752	1.3
137.09656	1.5
143.08549	2.0
145.10094	3.2
147.08073	5.8
147.11682	1.9
149.09595	1.8
153.09113	1.7
157.10068	1.6
159.11722	1.4
161.09601	1.9
163.11075	1.0
175.11252	1.2
189.11224	4.2
193.12149	4.4
205.12193	1.7
223.13304	14.1
227.12807	5.0
229.14397	1.0
245.13741	1.6
245.19005	1.7
249.14877	2.2
263.19922	1.3
267.15906	2.9
273.18439	13.3
285.17010	8.9
291.19519	97.3
292.19974	2.6
347.22110	3.4
365.23203	100.0
366.23486	3.4
375.03464	0.9
511.44318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55273	1.7
51.99085	1.5
55.01866	2.5
55.05507	9.0
57.03439	18.9
61.06328	1.6
67.05518	13.4
69.03439	3.2
69.07065	7.8
70.06631	1.8
79.05489	10.3
81.03442	2.8
81.07053	16.7
83.05010	2.4
83.08606	7.9
85.02886	4.8
85.06527	2.5
91.05463	14.0
93.07053	11.0
95.04980	4.9
95.08611	10.5
97.02869	1.9
97.06541	3.7
97.10170	4.1
98.97558	4.0
99.05576	1.9
100.11275	8.4
105.07027	12.1
107.04948	2.7
107.08620	7.5
109.06530	11.9
109.10165	6.3
116.98609	2.5
117.07017	5.1
118.49047	1.7
119.08601	9.8
121.06510	2.7
121.10155	5.9
123.08039	2.8
125.09683	2.9
127.07554	15.0
131.08597	7.3
133.10146	4.2
135.08060	5.5
135.11659	2.5
137.09612	3.3
143.08516	2.7
145.04990	2.7
145.10168	4.2
147.08025	4.5
147.11696	6.1
149.13214	2.2
151.07553	2.6
157.10120	4.5
159.11707	3.0
161.09673	3.6
165.12665	2.3
171.11742	2.2
173.13287	1.7
174.79314	1.9
175.11194	2.1
203.17931	2.6
223.13318	3.6
235.16997	4.3
266.04245	2.1
267.15878	3.2
273.18503	13.9
283.04785	2.3
284.05222	2.8
291.19547	69.6
365.23233	100.0
366.23560	2.6
487.16403	2.0
502.17947	5.8
562.20203	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18339	0.5
53.03946	1.3
55.01877	3.6
55.05267	1.0
55.05508	14.4
57.03408	2.4
57.07062	0.6
57.93034	0.6
59.04992	0.6
61.02898	1.9
65.03928	1.0
67.05503	14.6
69.03429	6.4
69.06724	1.0
69.07063	16.1
69.16556	3.6
71.04952	1.1
73.02882	0.7
77.03892	0.7
79.05492	15.3
81.03414	4.8
81.07056	11.2
82.54864	0.5
83.04984	3.2
83.08612	7.5
85.02897	2.7
85.06518	1.0
91.03964	0.7
91.05474	11.8
93.07045	10.3
95.04967	6.4
95.08097	0.6
95.08601	6.3
95.39401	0.5
97.02904	6.9
97.06522	2.2
97.09589	0.9
97.10158	10.8
97.72955	0.5
98.23433	1.1
99.04431	0.6
102.75110	0.5
105.03399	0.6
105.04494	0.7
105.07023	7.1
107.04960	4.5
107.08591	7.5
109.06475	1.6
109.10139	5.0
111.08034	1.0
117.07016	4.6
119.04885	1.1
119.08580	9.4
121.06483	2.8
121.10151	4.1
123.08074	2.7
123.11613	0.6
123.89737	0.6
125.09623	8.5
129.06975	2.0
131.08566	6.0
133.06467	1.9
133.10139	3.0
134.07283	0.6
135.08052	2.6
135.11670	1.9
137.09616	1.3
143.08575	2.9
145.10103	4.3
147.08043	4.2
147.11633	2.1
149.09682	1.5
149.13258	1.0
157.10092	2.5
159.08028	1.1
159.11649	2.5
161.09601	2.5
162.10382	0.6
163.11176	1.3
165.09087	0.6
169.10085	0.8
169.12227	1.1
171.10248	0.9
171.11713	1.3
175.11171	1.6
177.12816	0.9
185.09496	0.7
189.11197	4.9
193.12215	3.8
205.12122	1.4
211.13272	2.0
223.13277	14.3
227.12798	5.2
227.17876	1.0
245.13748	1.2
245.19022	1.6
249.14809	2.7
255.17421	1.0
263.20065	0.9
267.15891	2.3
273.18488	10.8
285.16919	7.2
291.19522	99.5
292.19870	2.5
297.16901	1.0
309.20718	0.7
347.22198	1.7
358.07620	0.8
365.23203	100.0
366.23688	2.6
378.10379	0.7
383.24240	0.8
475.24191	0.6
562.31744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80972	0.3
55.05510	1.4
57.07060	1.1
65.03941	0.3
67.05496	6.1
69.07063	3.0
70.75375	0.6
71.08617	0.8
79.05489	3.7
81.07045	6.8
81.07507	0.6
83.08616	1.3
85.06538	1.0
85.10160	1.0
86.09696	100.0
87.10013	0.7
88.11269	1.8
91.05467	4.7
93.07029	4.9
95.04955	0.6
95.08591	5.8
97.06509	0.5
97.10171	1.0
99.08102	0.4
102.48706	0.3
105.07009	3.8
107.08562	2.0
109.10135	2.3
117.07008	1.1
119.08575	2.6
121.10117	3.3
123.11703	0.9
131.05382	0.3
131.08549	2.1
133.10114	2.9
134.08112	6.5
135.07971	0.4
135.11690	1.9
137.09602	0.8
137.13226	0.7
143.08493	0.4
145.10107	2.3
146.11746	75.0
147.11598	1.5
149.09590	1.0
149.13239	0.8
151.14842	0.5
157.10136	0.6
159.11647	1.5
161.13220	1.6
163.11156	1.8
165.09103	7.0
171.11667	1.0
173.13239	0.9
175.11308	0.4
175.14854	1.0
175.45267	0.3
177.12685	1.3
185.13242	0.9
187.14703	0.4
199.14771	1.0
203.14305	0.5
213.16399	0.4
247.24220	0.4
248.20085	0.4
264.23257	0.4
275.27295	0.3
278.21451	0.3
283.88544	0.3
301.28781	1.3
303.30588	0.4
308.22299	0.5
310.23740	0.7
315.30344	2.3
371.36920	0.4
381.35080	2.9
399.36292	3.2
411.17969	0.3
484.45117	3.8
502.45987	1.1
544.47247	3.2
562.48608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12506	0.9
50.25865	1.1
60.37152	0.9
67.05495	1.4
69.62242	3.0
74.06084	2.1
74.09713	4.5
98.23391	1.7
98.60465	1.0
104.07124	1.4
104.99277	3.6
105.07045	0.9
110.18896	1.0
126.25861	1.0
133.10097	1.1
135.04387	2.7
151.07547	2.8
164.01253	1.0
178.45401	1.1
190.50279	1.1
230.98157	0.9
250.88571	1.0
263.31006	1.3
349.16815	1.3
398.32169	1.2
421.16336	1.0
481.18314	100.0
482.18555	3.5
562.38428	2.5
563.31616	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2102
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
65.41341	0.3
69.11054	0.7
69.11459	1.8
70.06586	1.4
72.08155	0.4
95.01088	0.7
96.01916	0.6
99.89981	0.3
103.05376	0.4
107.04946	0.6
112.01348	0.7
113.02138	1.0
114.47472	0.3
114.65737	0.3
120.51179	0.4
137.05991	0.7
149.44798	0.3
151.07420	0.3
157.04637	0.4
159.04181	2.0
163.07561	0.4
185.04257	1.7
185.05638	0.4
189.05278	0.5
201.03679	0.6
202.06055	0.6
203.05275	3.7
204.07593	2.4
205.08313	0.4
238.28795	0.4
263.14038	0.5
309.15906	0.4
321.05496	0.3
337.12552	0.8
340.90030	0.4
351.10611	0.7
353.13718	0.4
365.12009	0.9
366.12708	1.7
367.13388	0.6
379.13531	0.4
401.15714	0.5
473.19766	0.6
563.20984	100.0
564.21356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.5
64.43821	0.5
67.05499	0.9
69.03397	0.7
70.27188	0.6
70.27515	0.8
72.60457	0.6
78.68558	0.5
79.05456	1.0
81.03421	0.7
81.07066	1.1
82.60080	0.6
84.96030	2.0
85.02905	1.4
86.09689	0.6
87.48101	0.7
91.05479	1.1
93.07045	1.2
95.08582	1.0
95.63367	0.5
97.02911	0.8
97.06536	0.8
98.97568	4.2
105.07037	0.7
109.10152	0.8
115.81615	0.5
116.98618	1.6
117.07040	0.7
119.08531	0.9
120.08154	1.0
121.06449	0.6
121.10110	1.2
130.04500	0.6
131.04926	1.7
131.08534	0.7
133.10048	0.6
135.04474	0.5
143.00246	0.7
145.10150	0.7
147.04416	0.6
158.99626	1.8
162.06114	0.6
173.05951	0.9
177.00682	1.5
177.07051	1.1
182.89212	0.5
189.06987	9.3
191.08540	2.0
197.01204	2.2
199.04044	0.8
201.05402	3.9
201.55025	0.5
201.86163	0.6
205.06499	3.4
217.06482	13.1
218.07246	0.7
219.01846	1.0
219.08081	2.9
227.03377	1.7
233.05884	1.9
235.07480	1.9
237.02838	1.7
237.05415	0.7
245.06006	5.4
246.06729	3.0
247.02826	1.4
247.07507	20.8
261.05469	2.2
263.07047	4.6
265.03815	1.0
267.06345	0.8
273.05481	1.8
274.06500	1.5
275.07022	30.1
277.08603	1.0
289.04877	0.8
291.06479	6.2
293.08105	1.4
301.04935	1.3
303.06488	22.6
303.09991	1.1
304.07050	0.7
305.08054	51.0
306.08298	1.3
309.39725	0.6
313.03848	0.8
319.05988	15.2
321.07620	1.7
331.06042	3.9
341.05203	0.6
349.07050	100.0
350.07474	3.3
355.15399	0.8
363.07419	1.4
367.08173	10.5
377.64505	0.6
391.06940	1.9
403.07300	0.7
441.75452	0.6
523.10956	1.0
533.88696	0.6
565.12000	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
61.02930	0.4
65.03941	0.2
67.76620	0.2
69.03436	0.4
69.44975	1.0
70.06581	0.8
72.08142	0.3
73.02912	0.2
77.74188	0.2
79.05515	0.3
85.24887	0.2
86.09701	0.6
91.03928	0.2
91.05488	0.2
93.07033	0.3
97.02885	0.4
98.22768	0.4
100.63329	0.3
105.03402	0.3
107.04993	0.3
110.07159	0.3
119.08537	0.3
121.02868	5.0
121.61975	0.2
123.00793	0.5
129.05463	0.3
131.04916	0.3
132.51852	0.2
134.08167	0.3
137.02431	0.3
137.06027	0.3
141.01857	1.9
145.06473	0.2
147.04427	1.2
149.09552	0.2
165.01846	1.8
174.14861	0.4
183.02884	1.1
197.05963	1.1
201.05392	0.4
209.02693	0.2
215.06982	0.3
225.05396	1.1
243.06514	1.7
271.06033	0.7
299.05502	100.0
300.05777	2.8
360.74680	0.3
402.11237	0.2
461.10843	6.6
495.34036	0.2
525.81219	0.2
559.12085	0.2
564.21094	0.4
564.30597	0.4
570.83795	0.3
586.24847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01858	3.8
55.05500	7.8
57.03425	23.1
59.04984	5.5
61.25434	2.4
67.05506	16.8
69.03423	94.3
69.07064	4.3
69.89111	8.4
73.02911	4.4
74.18877	2.2
79.05487	15.2
81.03407	7.5
81.07051	81.4
83.04977	3.2
85.02400	4.6
85.02897	65.6
87.04465	69.8
91.05479	14.5
93.07041	31.7
95.04962	6.8
95.08605	40.4
97.02882	74.5
97.06507	7.3
98.23360	3.4
99.04467	8.2
102.05376	2.3
105.07021	33.1
107.08581	30.6
109.06528	3.3
109.10139	16.6
111.08080	2.7
115.03923	98.2
117.07021	3.7
119.08570	43.2
121.06502	4.2
121.10156	21.1
123.08091	4.0
123.11700	24.0
127.03910	10.6
129.07002	2.8
131.08545	10.2
133.04953	100.0
133.10109	24.8
135.08026	5.7
135.11693	20.4
137.09616	3.6
141.09004	2.5
143.08536	5.3
145.04950	12.7
145.10068	10.2
147.08066	3.0
147.11667	15.0
149.09564	3.4
149.13301	2.4
153.09103	5.6
157.10179	8.4
159.11723	12.9
161.09604	4.5
161.13235	38.6
165.09100	4.3
169.05067	3.1
171.11618	3.4
173.13263	3.9
183.11659	4.6
185.13174	3.0
187.14801	3.9
189.12872	2.7
189.16362	86.0
193.10146	3.7
199.14832	5.1
203.14250	3.0
213.16362	4.4
215.14204	3.1
217.15881	19.5
224.87654	2.4
231.17526	3.4
234.59431	2.3
235.16907	76.0
259.08105	7.0
259.16852	13.0
267.17487	3.9
271.05597	2.8
275.16238	3.1
277.18228	3.3
283.17123	3.1
285.07504	14.0
285.18423	3.8
286.07944	17.4
295.10193	7.0
295.17029	5.1
301.17828	5.7
313.17941	13.7
319.19205	2.6
321.20654	4.0
331.18994	14.6
349.20032	13.1
355.15488	3.0
361.20062	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01880	10.9
55.05504	21.5
57.03446	14.8
59.89139	2.1
61.02911	8.5
65.03938	2.7
67.05505	62.1
69.03428	12.9
69.06709	2.9
69.07065	33.8
69.68723	4.8
71.04981	5.2
73.02920	2.8
74.46297	2.2
79.05494	53.0
81.03403	11.4
81.07053	77.1
83.04985	12.8
83.08621	14.6
85.02905	8.3
85.06539	3.6
91.05473	41.4
93.07038	53.6
95.04984	12.8
95.08602	33.9
95.09155	3.9
95.74300	2.2
97.02888	9.2
97.06538	17.8
97.10144	7.8
99.08093	6.4
103.03978	2.6
105.07027	33.8
107.04977	5.9
107.08594	38.8
107.47761	2.5
109.06492	5.7
109.10133	12.0
111.08067	4.4
113.09692	3.3
115.05469	3.1
117.07012	16.6
119.08577	20.8
121.06513	6.4
121.10133	20.9
123.08102	3.7
123.11708	6.1
125.09627	5.7
127.03915	2.5
129.06987	5.3
130.07826	2.7
131.08562	19.3
133.06520	3.0
133.10133	23.4
133.96762	2.5
135.08037	5.9
135.11699	25.6
137.09593	3.9
143.08571	3.6
145.10129	17.3
147.07973	2.9
147.11676	9.4
149.09572	14.4
149.13271	14.2
151.11218	4.2
155.08501	3.1
157.10146	5.7
159.11678	27.8
161.13234	6.9
163.11179	12.5
171.11678	5.3
173.11841	2.4
173.13266	9.5
177.12761	23.9
179.14313	8.8
181.12160	2.5
189.11238	2.7
195.13785	10.9
201.12912	2.6
220.14059	2.5
223.11275	2.4
227.12885	4.3
229.14429	5.2
229.19536	4.1
239.17888	8.2
245.13741	2.6
247.20537	3.3
251.16267	3.1
255.15881	51.6
257.18887	13.8
269.17465	100.0
275.20056	44.0
293.21088	2.9
309.20706	7.5
343.78571	2.3
349.23724	83.2
350.23907	2.3
367.24832	17.6
440.66199	2.5
493.27768	2.5
527.79346	2.6
564.17627	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.3
55.05514	15.1
57.03442	15.5
59.05852	2.2
59.15998	2.7
60.62371	2.2
61.02918	5.3
67.05502	64.7
69.03431	5.9
69.07062	23.9
71.05002	5.1
79.05487	37.3
81.03432	9.3
81.07054	71.7
83.04979	8.8
83.08627	13.5
85.02901	9.9
91.05479	30.6
93.07041	57.2
94.31002	2.3
95.04987	8.5
95.08621	23.2
97.02925	2.9
97.06527	16.2
97.10167	6.2
99.04470	2.6
99.08073	2.7
105.07037	26.1
107.04955	6.1
107.08588	34.7
109.06515	7.2
109.10155	16.7
111.08073	6.8
117.07013	16.3
119.08576	15.8
121.10162	17.5
123.08058	6.0
123.11785	2.2
125.09656	2.9
127.03917	3.5
129.07001	4.7
131.08557	17.9
132.98662	2.4
133.10126	21.3
135.08058	5.9
135.11714	22.7
137.09683	3.3
141.06999	2.6
145.10193	13.7
147.11693	8.8
149.09598	11.7
149.13264	14.9
151.11229	2.6
155.08530	3.8
157.10147	6.1
159.11682	22.0
161.13269	4.9
163.11212	7.5
169.10234	3.5
173.11763	4.1
173.13229	5.6
175.11301	2.8
177.12726	22.1
179.14334	8.6
181.12263	3.0
187.14934	2.7
189.11194	4.0
195.13853	7.3
196.77748	2.9
229.14275	12.0
232.12361	2.8
233.15340	2.9
239.17859	3.2
247.20461	3.3
251.16356	3.4
255.15939	47.5
257.19083	8.7
268.70557	2.5
269.17459	100.0
270.17856	3.0
275.20093	31.9
309.20624	5.0
328.30670	2.5
336.37628	2.6
349.23737	53.4
367.24673	18.2
434.24188	2.9
547.22949	2.6
564.29834	3.3
564.38348	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01860	1.7
55.05505	6.1
57.03433	13.1
67.05505	14.8
69.03423	5.1
69.07063	5.0
70.42427	2.8
71.04992	69.6
73.02905	2.8
75.04485	4.6
77.10049	1.0
79.05499	10.7
81.03395	1.7
81.07056	27.1
83.04974	10.3
85.02901	100.0
87.04470	3.1
91.05476	11.2
93.07044	15.5
95.04964	4.8
95.08605	34.5
97.02902	6.4
97.06538	3.6
97.10142	1.6
99.04465	2.8
105.07027	32.5
107.08585	30.5
109.06507	2.4
109.10149	24.3
111.04443	4.6
111.08068	1.4
115.03931	1.6
117.05560	1.1
117.07037	2.3
119.08578	24.7
121.06441	1.2
121.10143	13.1
123.11740	5.9
127.03913	4.2
129.05473	34.7
131.08533	2.2
133.04987	2.3
133.10120	14.0
135.11691	9.2
143.08459	1.4
145.04947	2.8
145.10149	3.7
147.06511	13.8
147.11679	24.0
149.06061	1.2
149.13266	2.0
157.10149	2.7
159.11653	4.2
161.13257	11.0
162.35139	1.2
163.14774	4.5
164.49261	1.1
171.11717	2.1
173.13200	1.4
175.14796	4.6
179.38005	1.2
189.16425	3.8
201.16405	4.1
203.17946	49.1
215.17903	1.3
221.19023	4.3
227.17924	1.6
282.60541	1.2
327.15915	1.1
349.23846	1.4
355.15384	2.2
388.01190	1.2
403.07864	2.9
439.39395	1.1
454.78598	1.3
564.23761	1.3
565.12787	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
55.05512	19.2
56.54640	2.5
57.03441	8.6
57.07086	2.2
58.13965	2.8
59.76966	2.5
61.02924	3.2
65.03947	2.6
65.83600	2.9
67.05502	26.5
69.03431	5.2
69.07073	11.4
71.04985	3.6
71.46336	2.3
79.05488	30.5
81.03422	7.2
81.07053	26.9
83.04994	3.8
83.08610	12.4
85.02917	7.9
91.03929	2.4
91.05460	16.6
93.07048	21.9
95.04948	5.4
95.08617	13.0
97.02888	4.0
97.06517	15.0
97.10179	19.5
98.88657	2.6
105.07019	19.2
107.04973	4.6
107.08586	45.4
109.06525	4.2
109.10173	7.8
117.07052	6.8
118.41458	2.8
119.08588	12.6
121.10137	8.8
123.11641	4.2
125.09636	22.4
127.03918	2.5
129.07051	3.0
131.08569	9.0
133.10139	13.6
135.11679	3.9
143.08554	3.4
145.10112	13.8
147.11693	11.2
149.09634	8.9
149.13321	3.1
157.10095	3.8
159.11722	9.0
161.13243	4.3
163.03929	3.1
163.11145	2.9
169.10027	2.6
171.11732	4.3
173.13289	2.6
177.12753	2.8
185.04214	3.0
185.13321	2.9
189.11230	11.2
227.12791	20.8
239.17993	5.2
245.13770	15.1
255.15875	5.7
257.18979	25.5
269.17383	4.4
274.39233	2.4
275.20056	40.8
293.21051	4.2
306.11835	2.7
331.22485	2.7
337.14279	6.9
349.23694	100.0
355.15350	9.4
367.24774	16.7
403.53912	2.5
444.29135	2.5
528.35828	3.9
544.16211	2.6
564.38818	3.9
565.26788	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
63.82941	0.6
65.03947	1.0
67.05504	6.7
67.31751	0.7
69.07074	2.5
69.65020	2.5
78.54536	0.7
79.05508	6.9
81.07049	5.4
86.09711	100.0
87.10046	1.1
91.05482	12.3
91.95882	0.7
93.07060	5.6
95.04983	1.2
95.08607	4.6
105.07043	7.2
107.08614	2.4
109.10151	0.9
115.05463	1.4
117.07022	12.7
119.08607	4.1
121.10149	4.4
128.06248	2.6
129.07008	8.4
131.08556	7.6
133.10136	3.5
135.11705	1.2
141.06990	3.9
143.08545	5.0
145.10158	5.1
146.11765	57.4
147.11687	1.5
155.08585	3.0
157.10138	3.0
159.11752	2.6
167.08588	1.1
169.10112	3.1
171.11745	2.8
173.13287	2.1
181.10159	1.9
183.11746	2.3
185.13333	2.3
187.14828	1.5
189.16452	1.1
195.11685	1.1
197.13278	1.5
199.14867	2.0
201.16533	1.3
203.18040	1.0
209.13385	1.5
211.14857	1.7
213.16426	1.1
215.18071	1.3
224.83948	1.0
225.16452	1.4
239.18004	1.1
255.21182	1.2
268.10614	0.7
280.06622	1.0
281.22751	1.0
295.24216	0.8
419.33124	2.2
504.42056	3.5
507.38000	0.8
564.44342	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
57.07061	0.8
65.03935	0.3
67.05495	4.9
69.07056	1.7
71.08586	0.9
79.05489	3.8
81.07050	4.5
83.08614	0.7
85.06555	0.4
86.04883	0.3
86.09701	100.0
87.10007	0.7
88.11268	1.7
91.05476	6.0
93.07030	3.6
95.04944	0.6
95.08596	3.4
97.06530	0.7
101.97289	0.3
105.07024	4.6
107.08609	2.4
107.46674	0.4
109.10164	1.5
111.08099	0.3
115.05434	0.8
117.07015	8.5
119.08568	4.3
121.10132	3.4
128.06226	1.4
129.07004	4.3
131.08557	6.8
133.10123	4.4
135.11697	2.0
141.07001	2.3
142.07829	0.4
143.08543	3.6
145.10123	4.4
146.11751	77.6
147.11703	2.2
149.13225	0.9
155.08548	2.4
157.10109	3.2
159.11688	2.7
161.13217	1.6
163.11179	0.4
163.14799	0.8
165.38046	0.3
167.08546	0.8
168.09332	0.4
169.10106	3.1
171.11696	3.1
173.13235	2.0
175.11185	0.6
175.14839	0.8
177.12755	2.1
181.10103	1.9
183.11665	2.6
185.13275	2.6
187.14772	2.4
189.12727	0.6
189.16289	1.7
195.11688	0.6
197.13251	1.6
199.14799	2.5
201.12711	0.3
201.16412	2.0
203.17937	1.5
207.13715	0.3
209.13248	0.8
211.14777	2.0
213.16420	2.3
215.17953	1.1
217.15883	0.4
219.13818	1.2
221.13194	0.4
223.14723	0.8
225.16400	1.3
227.17871	1.5
229.19499	1.0
235.14798	0.3
237.16414	0.5
239.17963	1.5
241.19489	1.7
251.17909	0.4
253.19586	0.7
255.21159	1.4
265.19470	0.6
267.21039	1.3
277.19833	0.3
281.22675	1.0
295.24088	0.6
304.26382	0.5
335.27380	0.7
362.26947	0.7
401.32037	1.0
417.31781	0.4
419.33072	4.2
504.41934	3.2
532.41040	0.5
564.44116	12.0
565.44531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.1
58.08596	1.7
61.02929	3.7
65.68031	1.5
68.99796	1.7
69.03422	5.9
69.55173	7.2
70.06584	3.0
73.02947	1.8
76.35866	1.6
78.41055	1.5
81.03419	3.5
84.08126	2.5
85.02895	12.1
86.17344	1.7
91.05479	12.1
92.83146	1.4
95.08595	2.0
97.02888	7.2
98.47372	1.6
103.03934	1.7
107.04943	4.1
109.02852	2.9
111.04478	3.3
115.03922	2.2
119.04926	8.6
121.02855	50.7
121.03801	2.8
133.02959	1.8
135.04507	2.2
145.02829	7.8
145.04996	3.1
147.04419	4.2
159.04353	2.3
163.03920	4.0
163.06064	1.9
171.04340	2.0
175.03906	3.2
177.01822	3.9
177.05470	2.8
179.03438	3.7
185.05942	1.7
187.03914	4.0
189.01781	11.7
189.05360	2.2
191.03409	3.1
192.04037	1.7
193.05127	2.2
195.02895	9.1
199.03914	3.0
199.94041	1.7
201.05367	2.2
203.03416	19.0
205.04875	4.4
206.05548	2.4
207.02832	9.5
207.06525	1.8
211.03874	2.2
215.03374	9.5
217.04976	6.8
219.02847	5.0
221.04451	4.8
227.03503	3.2
229.04962	4.8
230.60165	1.7
231.02873	2.9
233.04462	6.1
241.04955	2.9
243.02841	4.9
245.04617	3.3
249.03754	2.1
267.06427	4.2
268.07367	3.7
269.07999	2.0
273.04086	2.6
279.06601	6.8
281.04999	1.6
281.08105	5.9
283.06006	6.9
284.06708	2.6
291.06354	2.0
292.07242	3.6
293.07983	7.5
294.05191	25.3
295.05994	100.0
296.06686	9.7
297.07578	8.6
305.08060	4.9
307.05988	66.1
307.09097	2.3
308.06714	20.9
309.04166	3.5
309.07529	22.7
313.06955	5.9
317.08041	4.6
319.06049	7.9
320.06573	11.0
321.07541	52.6
322.08218	12.4
323.05591	3.1
323.09103	6.0
324.43680	1.7
325.03134	3.9
325.07022	76.4
326.07291	4.5
329.08090	6.3
333.07559	31.4
334.08279	4.8
335.05432	4.0
335.09094	24.9
336.06171	5.5
337.07019	60.6
338.07675	3.0
339.08429	3.9
343.09848	1.8
345.07562	15.4
346.08185	2.2
347.09064	11.1
348.06186	2.7
349.07043	57.5
350.07587	3.6
351.08612	31.4
355.08130	10.0
357.06894	1.8
359.09204	3.6
361.06949	34.4
362.07651	2.4
363.08569	23.0
365.10287	3.2
367.07901	10.4
371.08862	2.1
373.07013	15.5
375.08530	16.2
376.09070	1.9
379.08075	87.6
380.08429	3.9
387.08627	6.6
389.10385	4.2
391.08044	53.5
392.08414	3.7
397.09174	26.4
399.08521	2.7
401.10211	3.6
403.08130	16.7
405.09665	5.6
409.09122	84.1
410.09488	3.9
415.09766	8.9
417.09760	4.1
419.11194	2.4
421.09116	9.6
427.10254	94.5
428.10394	5.1
429.09503	5.1
433.09241	15.2
439.09924	9.2
445.10324	19.2
451.10208	17.7
457.11212	24.9
463.10022	9.0
469.11188	22.2
475.10342	11.8
481.11255	42.7
493.11093	26.0
494.11322	2.5
499.12280	32.7
500.13055	2.0
511.12354	74.6
512.12708	2.6
529.13373	40.4
530.13519	3.9
547.14368	20.6
565.18530	9.4
565.29419	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03435	2.9
61.02915	4.4
70.53595	4.7
75.75909	2.2
76.87354	2.4
81.07044	2.6
83.05009	3.5
85.02868	6.2
91.05463	3.6
95.06064	3.3
97.02938	3.4
107.04936	2.9
109.02821	2.6
111.05554	9.8
119.04924	11.2
121.02858	42.6
123.05527	8.7
141.05530	2.4
141.06544	13.4
145.02896	3.4
147.04315	2.7
163.03899	3.8
177.01848	3.8
179.03447	3.8
189.01833	12.3
191.03384	6.3
195.02946	4.8
203.03339	14.4
205.04979	2.7
207.02846	7.9
215.03340	4.8
217.04877	5.2
219.02878	3.9
229.04919	3.9
267.06552	5.7
268.07504	5.2
269.04468	3.7
277.14923	3.0
279.06537	5.2
281.08014	4.7
283.05972	10.7
293.08011	5.5
294.05194	20.3
295.06000	98.9
296.06622	12.3
297.07468	9.3
305.08063	4.7
307.06000	69.1
307.09216	4.3
308.06714	18.0
309.07550	19.6
313.07007	5.2
317.08072	4.1
319.05994	8.1
320.06708	5.5
321.07544	39.6
322.08246	11.9
323.09085	9.3
325.07068	95.4
326.07239	4.3
333.07376	20.4
335.05591	4.0
335.09140	16.3
336.06256	4.8
337.07037	71.3
339.08640	4.6
345.07217	5.2
346.08197	2.9
347.09033	11.7
349.07031	44.2
350.07559	3.9
351.08618	25.7
353.20724	6.5
355.07947	14.6
361.06961	24.4
363.08673	15.0
365.10233	8.9
367.07986	11.0
373.06870	7.8
374.07834	4.3
375.08496	16.0
377.10202	4.6
379.08081	100.0
381.09851	3.4
385.07376	4.6
385.23276	6.9
385.28079	3.0
387.08557	5.3
389.10309	5.7
391.08020	37.9
397.09143	58.5
403.08069	22.3
403.23859	3.6
405.09540	10.4
409.09131	38.4
415.10278	17.7
421.09204	18.8
427.10315	34.6
433.09216	16.0
439.10339	19.1
440.11157	2.9
445.11261	33.7
451.10062	31.2
457.11310	45.8
463.10260	3.3
469.11301	44.4
475.10101	14.6
481.11237	34.7
493.11282	33.1
499.12329	33.2
511.12219	41.8
529.13342	54.3
533.27069	4.1
547.14569	20.8
547.28131	3.5
565.14075	3.9
565.21393	9.4
565.29559	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1552
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
52.28885	3.2
53.50409	3.1
55.01880	3.6
61.02924	3.5
69.80006	9.9
71.04996	3.3
73.02894	2.6
85.02902	14.4
97.02885	4.0
98.22744	3.4
109.30608	2.5
109.90791	2.8
119.04926	10.3
121.02871	38.4
129.05522	4.3
145.02805	4.5
151.05972	2.7
161.02332	3.9
177.01839	6.3
179.03479	3.4
187.03806	4.0
189.01851	9.1
191.03326	9.9
195.02901	5.9
203.03427	12.8
207.02925	6.5
215.03415	8.3
217.04939	8.6
219.02821	4.4
221.04359	4.6
227.03427	3.0
229.04913	4.9
231.02739	3.4
233.04430	4.2
245.04594	4.2
255.06354	3.1
266.18420	3.2
267.47781	3.2
268.06992	4.0
273.03851	3.3
279.06561	4.0
280.07184	4.6
281.08151	3.4
283.05920	7.4
293.07990	5.3
294.05319	21.3
295.06006	96.7
296.06628	11.8
297.07544	10.4
307.06027	67.7
307.09525	2.5
308.06717	17.3
309.04416	3.8
309.07544	17.9
310.07983	4.1
313.06909	6.4
319.06079	6.7
320.06812	9.0
321.07541	47.4
321.52036	3.3
322.08243	11.2
323.05472	3.3
323.08990	5.7
325.07028	86.3
326.07370	3.9
333.07495	25.4
334.07889	3.9
335.09146	22.7
336.06149	5.4
337.07068	61.0
337.10703	2.3
339.08704	3.8
345.07596	5.2
347.09378	14.2
349.07089	67.9
349.10922	3.2
350.07632	3.7
351.04901	3.7
351.08603	26.5
355.08148	9.0
361.06998	32.4
363.08630	23.1
365.10065	9.8
367.08087	10.5
373.06958	10.7
375.08438	15.8
379.03400	6.2
379.08112	100.0
380.08194	4.4
387.08594	9.5
389.10315	5.0
391.08075	45.6
397.09158	44.1
403.08136	23.6
405.09641	7.1
409.09225	56.1
415.10367	20.8
417.09225	3.3
419.11401	3.7
421.09061	14.7
427.10315	67.0
428.10226	5.8
429.09998	4.0
433.09109	18.4
439.10397	16.2
445.11322	33.4
451.10239	28.7
457.11288	37.6
463.09833	8.7
469.11157	38.0
475.10284	11.9
481.11374	44.4
493.11200	26.7
499.12463	39.5
500.65671	3.3
501.74896	3.2
511.12372	57.0
529.13257	50.1
547.14655	37.1
548.14252	3.3
565.15118	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.0
60.26270	2.0
64.69700	1.8
66.49426	2.1
69.53308	8.9
74.19134	1.9
85.02918	6.5
87.76864	2.0
91.05530	3.0
97.05414	1.8
109.02851	3.3
110.39400	2.3
119.04942	9.9
121.02866	46.6
124.02225	2.7
141.06619	2.3
145.02893	6.0
177.01866	8.8
187.03922	2.6
189.01833	14.4
190.81241	2.2
191.03394	7.5
195.02914	7.1
203.03439	15.8
205.05025	4.1
207.02867	9.8
215.03416	8.4
217.04976	4.8
219.02824	5.2
221.04477	4.2
229.04974	3.5
231.02965	3.5
233.04378	4.1
241.04988	3.1
243.02896	5.4
245.04382	2.1
255.03003	5.0
257.04504	2.7
268.07315	7.0
273.03882	4.1
279.06586	6.3
280.07190	4.3
281.07910	3.9
283.06064	9.6
284.06860	3.8
293.08109	3.7
294.05170	21.9
295.06018	100.0
296.06799	11.0
297.07382	10.3
305.08032	4.0
307.06015	65.6
308.06757	18.7
309.07556	19.8
313.07117	5.7
317.08115	4.5
319.06030	8.7
319.09506	2.6
320.06732	6.9
321.07541	43.3
322.08435	13.3
323.05609	2.9
323.09091	9.0
325.07034	74.4
329.07840	2.9
333.07498	30.4
334.08157	4.8
335.05667	3.2
335.09109	18.3
336.06247	4.0
337.07040	58.8
345.07568	9.2
347.09067	15.4
349.07016	58.3
349.10526	3.0
350.07297	5.3
351.08591	23.8
355.08047	7.9
359.09167	3.9
361.07034	19.0
363.08432	12.3
365.10089	7.5
367.08130	8.9
373.07056	11.0
375.08868	12.9
379.08121	95.5
380.08344	4.5
385.07022	2.9
387.08606	7.0
389.10413	3.5
391.08096	43.9
391.12677	1.7
392.08572	3.9
393.09918	3.7
397.04068	4.0
397.09146	56.4
398.09161	3.0
401.10309	3.8
403.08063	23.4
405.09555	6.4
409.09146	66.3
415.10297	21.8
419.11240	2.9
421.09268	17.4
427.10315	59.6
428.10699	2.8
429.09451	4.7
433.09225	21.8
434.09595	2.6
439.10321	14.5
445.11255	30.0
447.10562	2.8
451.10159	33.4
457.11310	42.3
463.09897	10.1
469.11258	53.5
475.10233	15.2
481.11316	46.5
482.11569	3.0
484.46133	2.3
493.11310	38.4
494.11813	2.6
499.12335	37.8
511.12350	67.1
512.12610	5.6
529.13397	61.5
530.13464	3.6
547.14227	30.5
565.14844	6.5
565.22363	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1561
Annotation	Apiin
Peak:m/z	Relative Intensity
57.03433	0.4
61.73488	0.1
67.01858	0.2
68.99804	0.2
69.03440	1.2
69.19893	0.6
73.93304	0.1
84.08144	0.1
85.02911	0.8
87.04494	0.7
91.05474	0.3
95.04960	0.1
97.02884	0.8
98.23534	0.2
101.53439	0.1
112.52206	0.1
115.03939	0.5
119.04955	1.1
120.08083	0.2
121.02897	0.5
123.99390	0.1
129.01817	0.1
133.04932	0.5
145.02863	0.4
152.75293	0.1
153.01834	3.2
161.06046	0.1
163.03951	0.3
171.02907	0.3
187.03926	0.2
187.11232	0.1
197.09465	0.1
203.07108	0.1
212.11496	0.1
225.05528	0.2
227.27083	0.1
229.05029	0.2
243.06499	0.2
247.05838	0.1
271.06015	100.0
272.06366	3.2
283.06082	0.1
285.01404	0.1
313.00702	0.1
313.07077	0.2
355.15347	0.1
403.10281	0.3
406.69507	0.1
433.11331	12.1
434.11505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2048
Annotation	Kadsuphilol B
Peak:m/z	Relative Intensity
55.01834	0.3
55.05510	0.3
62.23761	0.2
62.55318	0.3
64.31376	0.2
67.05495	0.5
67.28491	0.2
69.47105	1.0
69.56384	0.2
77.99255	0.2
79.05495	0.3
81.03406	0.7
81.07067	0.5
83.08625	0.3
83.42561	0.2
91.05495	0.4
93.07052	0.6
95.04969	0.4
98.22716	0.2
105.07029	0.6
121.10181	0.3
131.08548	0.4
147.11667	0.3
160.97078	0.3
162.75757	0.3
163.03928	0.7
173.02342	0.5
187.04013	0.3
199.03992	0.3
213.05405	0.4
253.12004	2.0
269.11496	0.8
303.38705	0.3
312.91193	0.3
335.07352	9.1
336.07727	0.4
337.14426	1.0
355.15268	1.9
413.15738	0.6
449.09329	0.3
565.20428	100.0
566.20746	6.8
576.17352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55311	0.5
58.06602	5.2
59.07387	3.3
64.42653	0.5
69.82391	1.5
91.11719	0.6
98.23385	0.9
107.04940	0.8
114.88345	0.5
118.08665	100.0
121.12346	0.6
153.55655	0.5
208.49973	0.6
242.29318	0.5
277.43954	0.5
448.19821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32683	0.5
53.03935	0.9
55.01880	1.4
55.05507	2.6
57.03176	1.1
57.03436	13.8
59.04996	1.7
60.04532	1.8
61.02917	1.1
67.05501	1.5
69.03426	28.3
69.25175	2.1
69.25582	1.4
70.06574	0.8
71.01357	1.4
71.04992	58.5
72.08143	0.6
73.02924	5.1
74.80827	0.6
75.04479	5.7
79.05505	0.8
81.03413	4.7
83.01356	0.8
83.04560	0.5
83.04979	14.4
85.02903	100.0
87.04465	16.8
91.05479	14.9
95.04964	2.5
95.08633	0.7
97.02891	37.0
97.06548	1.5
99.04460	5.9
101.06017	1.0
103.03983	1.2
105.07027	2.5
107.04952	1.3
109.02858	2.0
109.06557	0.7
111.04443	10.9
113.02374	1.5
113.06004	1.5
115.03928	40.2
117.05499	1.7
117.27335	0.6
119.08532	1.0
120.08047	0.7
121.10136	0.8
123.04432	2.0
125.05993	0.9
127.03918	5.0
129.05476	37.6
133.04964	22.3
133.06526	2.2
133.10132	1.0
137.05991	1.8
139.03902	2.0
145.04964	6.0
145.06386	1.1
146.08185	1.0
147.06512	24.1
149.04454	2.6
149.05878	0.6
150.07605	11.6
151.03889	1.1
151.07535	1.0
153.05470	1.7
157.04948	0.8
163.06070	1.4
164.09209	4.2
165.05644	0.9
165.07555	1.1
169.04892	1.2
171.06514	5.7
171.42459	0.6
173.47670	0.6
175.06146	0.8
175.07596	2.1
175.14825	1.0
177.05539	0.7
177.96049	0.5
179.06966	1.5
181.05034	1.0
189.05682	0.6
189.07541	1.4
199.06023	1.5
207.06534	2.4
223.09749	1.7
225.07559	8.2
225.09299	0.6
237.07539	0.8
243.08624	11.4
255.08673	2.7
261.09692	15.2
273.09698	4.4
279.10715	12.7
295.05911	1.1
295.10291	1.8
296.06445	1.6
308.06543	1.0
309.11835	7.3
338.07230	1.2
362.07446	0.9
371.06232	0.7
380.08694	1.0
392.08340	0.8
398.09210	0.8
407.75928	0.7
410.09610	0.8
428.10394	1.7
458.10907	0.8
470.12161	1.1
500.13242	0.7
530.13763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30051	0.9
56.09035	0.9
66.57790	1.1
69.03418	1.6
71.46622	1.3
72.53889	0.9
73.73899	0.9
79.05503	2.1
91.05471	3.7
95.04961	1.3
105.07032	1.4
107.04924	5.2
108.05731	2.5
121.06493	2.9
123.08086	1.6
133.06564	1.3
135.04417	1.9
135.08073	1.7
136.05209	8.4
137.05928	3.4
138.06744	1.5
145.06502	1.5
147.08075	2.8
148.05235	7.3
149.09685	1.0
150.06764	1.6
151.07532	100.0
152.07851	1.6
153.09149	1.2
159.08057	3.5
161.05956	2.0
163.07481	3.1
164.08357	2.1
165.05418	1.4
165.09120	9.9
166.06245	19.9
167.07057	3.0
171.08022	1.2
172.08826	1.3
173.05984	3.3
176.08307	2.4
177.09109	8.9
179.10620	1.5
181.08585	74.8
182.09073	2.0
183.10046	1.6
186.10362	2.1
187.07503	2.6
188.08318	6.0
189.09056	5.0
190.09872	2.3
191.10680	4.4
193.08629	1.8
195.10168	3.7
201.09116	3.8
202.09868	6.9
203.10654	13.8
207.10146	3.0
216.11380	3.5
217.08673	1.1
217.12234	11.7
219.10031	1.0
233.11703	4.2
247.13316	8.9
353.17502	4.3
354.18262	4.8
355.15201	1.0
370.17734	16.5
371.18033	1.2
385.20065	83.3
386.20184	3.2
403.21176	8.4
410.32736	1.1
418.18561	1.0
444.39825	1.0
484.20410	2.1
506.18051	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03215	1.8
58.12135	2.0
58.19733	1.8
58.42237	2.2
60.31160	1.8
67.05495	7.6
70.70699	2.5
72.50426	2.1
79.05467	6.5
80.07320	2.3
81.07051	5.8
83.47467	2.1
86.09702	100.0
91.05463	8.1
93.07018	4.7
95.08586	4.5
105.07027	4.5
107.08596	4.1
109.10168	2.8
111.02337	2.0
117.07009	2.8
118.76591	2.0
119.08583	2.9
121.10136	6.7
131.08533	6.5
133.10123	5.8
135.11650	2.5
145.10121	3.1
146.11758	44.8
149.09692	2.1
159.11632	2.5
173.13205	3.0
185.13245	3.0
566.45502	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83840	1.4
67.05495	3.7
69.07054	2.2
71.12930	1.8
79.05495	3.6
81.07060	5.1
83.08609	1.7
86.09702	98.8
87.83644	1.2
88.11300	1.6
91.05467	6.3
93.07037	4.4
95.08591	2.9
97.06525	1.8
98.22859	1.4
105.07022	7.6
107.08591	2.9
109.10175	2.7
117.07012	5.6
119.08567	3.7
121.10157	5.0
131.08574	4.3
133.10136	4.1
135.11668	2.4
143.08485	2.1
145.10121	5.4
146.11755	100.0
147.11746	1.5
157.10153	2.7
159.11717	3.8
171.11684	2.8
173.13176	2.0
185.13269	1.5
199.14806	2.3
203.17926	2.8
237.16319	1.8
305.19220	1.6
362.27060	1.5
385.69711	1.3
421.34671	4.3
426.69260	1.5
484.30090	1.4
506.43430	4.9
516.09668	1.7
525.43439	1.4
553.62103	1.5
566.45972	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1476
Annotation	Isoporiolide
Peak:m/z	Relative Intensity
62.06083	0.6
65.14286	0.2
67.05502	0.3
69.03436	0.3
69.07066	0.3
70.22300	0.2
71.04956	0.2
71.46973	0.3
79.05489	0.2
80.45468	0.2
80.58793	0.2
81.07074	0.4
85.02915	0.2
93.07070	0.4
95.08598	0.4
95.22494	0.2
100.11262	0.3
105.07015	0.3
107.08662	0.2
109.10173	0.3
114.24017	0.3
119.08612	0.2
121.10143	0.2
127.03957	0.2
129.88907	0.2
131.04909	0.3
151.07495	1.3
160.70850	0.2
193.05487	0.2
200.13658	0.2
210.15030	0.3
228.15874	0.2
283.11182	0.3
283.26041	0.2
355.18912	0.4
386.12244	0.2
390.07053	0.5
404.08563	0.2
405.09427	16.8
406.09869	0.7
552.12537	0.6
567.14703	100.0
568.15076	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
55.05506	0.7
57.07069	1.7
59.07966	0.5
60.01245	0.4
67.05502	1.0
69.07076	0.9
69.50326	2.0
70.20877	0.5
75.63990	0.4
77.03934	1.0
79.05491	1.4
81.07037	0.8
83.00018	0.5
83.08584	0.7
85.06523	0.7
86.09738	0.6
91.05480	3.6
93.07039	0.6
95.04958	1.4
95.08610	0.9
98.98428	1.0
103.05462	42.5
104.05788	0.9
105.04543	0.6
105.07014	7.4
107.08586	0.7
115.05445	1.6
119.04933	4.7
131.04918	100.0
132.05272	1.9
133.06483	8.2
136.99158	0.5
137.05957	1.7
141.60681	0.5
143.05988	1.0
146.07249	0.6
147.04402	10.8
154.27768	0.4
155.01077	1.2
161.05968	22.8
163.07529	32.4
164.07887	0.8
179.07013	8.5
185.05719	10.0
199.07510	1.5
200.04448	0.6
201.05194	1.2
201.63203	0.5
220.08531	0.4
231.07950	0.6
255.09155	0.5
259.07455	0.7
264.97482	0.5
269.13400	0.7
291.10168	4.0
303.12027	2.8
323.12589	2.8
325.27374	1.1
419.12546	0.7
451.15390	4.4
465.18887	7.6
507.17969	7.4
535.17419	1.5
535.28674	1.0
567.24506	10.1
567.31854	4.9
568.25580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68488	1.1
70.81892	0.3
83.08591	0.4
86.09716	0.3
98.22659	0.6
108.28600	0.3
143.49504	0.3
148.59039	0.3
181.43277	0.3
185.04193	0.5
275.07349	0.7
331.10028	1.4
345.11743	0.6
364.07428	0.4
376.28448	0.4
405.22369	2.3
469.20419	1.9
485.20081	0.9
539.28033	0.7
567.27734	100.0
568.28143	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58814	0.4
69.21783	2.0
77.71270	0.3
98.20279	0.3
98.23453	0.5
104.21680	0.3
129.64363	0.3
176.52266	0.4
185.04251	1.3
201.03777	0.7
248.09946	0.4
275.07300	0.6
299.00180	0.4
323.14883	0.3
325.10699	0.3
331.10013	1.8
345.11893	0.5
387.16559	0.5
401.18027	0.4
405.22388	2.1
469.20132	0.6
476.40170	0.3
567.27710	100.0
568.28107	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39481	0.5
52.95476	0.5
53.73571	0.4
57.11426	0.5
58.35201	0.5
67.07088	0.5
68.23728	0.5
81.07027	0.4
85.89283	0.4
93.40676	0.4
109.50578	0.4
119.08552	0.5
151.07391	0.4
152.70119	0.4
185.04335	0.9
203.05312	0.8
229.14467	0.6
233.99054	0.4
234.47752	0.5
251.07417	0.5
259.07965	1.7
285.07214	0.4
305.13779	0.5
322.11993	0.5
331.10013	0.6
352.25732	0.7
387.16260	0.9
405.22583	1.8
462.62732	0.5
561.44110	0.5
567.27698	100.0
568.28156	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26622	0.5
67.05502	1.0
71.46735	0.7
79.05466	0.7
109.55561	0.6
113.52920	0.6
185.04245	1.2
203.05331	0.6
256.19321	0.8
258.26688	0.7
259.07996	0.9
263.82379	0.6
269.86530	0.6
275.07343	1.0
331.09863	3.4
339.61722	0.5
352.25583	0.9
398.82962	0.6
405.22333	1.1
567.27728	100.0
568.28015	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39481	0.5
52.95476	0.5
53.73571	0.4
57.11426	0.5
58.35201	0.5
67.07088	0.5
68.23728	0.5
81.07027	0.4
85.89283	0.4
93.40676	0.4
109.50578	0.4
119.08552	0.5
151.07391	0.4
152.70119	0.4
185.04335	0.9
203.05312	0.8
229.14467	0.6
233.99054	0.4
234.47752	0.5
251.07417	0.5
259.07965	1.7
285.07214	0.4
305.13779	0.5
322.11993	0.5
331.10013	0.6
352.25732	0.7
387.16260	0.9
405.22583	1.8
462.62732	0.5
561.44110	0.5
567.27698	100.0
568.28156	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01875	6.3
55.05517	35.0
57.03450	2.3
57.07072	2.3
65.03918	2.8
65.18681	1.8
67.05508	34.0
69.03426	3.0
69.07075	20.7
71.04971	3.5
79.05501	39.4
81.03441	2.2
81.07059	64.5
81.36541	2.5
83.05000	8.8
83.08620	20.0
85.06555	3.1
86.09712	4.8
90.32199	1.8
91.05486	28.5
93.07045	32.8
95.04975	16.4
95.08615	25.4
96.16695	2.0
97.06548	4.8
97.10167	14.5
105.04531	2.7
105.07024	24.8
107.04943	4.4
107.08601	21.1
109.06520	16.1
109.10146	10.1
111.08116	5.0
115.05470	3.2
117.07018	19.6
119.08594	31.6
121.10146	12.3
122.31284	2.2
123.08089	5.7
123.11742	3.3
124.89487	2.0
125.09604	9.5
128.06224	4.3
129.07013	16.6
131.08556	26.5
132.08948	2.3
133.06499	2.9
133.10138	22.0
135.08107	5.4
135.11719	5.6
137.09686	2.6
141.07031	7.0
142.07756	3.8
143.08565	18.2
145.10127	26.9
145.11076	2.6
147.08102	8.7
147.11736	8.5
149.09639	4.3
149.13263	3.2
154.86649	2.1
155.08575	15.3
157.06570	2.6
157.10124	20.5
159.08078	4.3
159.11736	16.1
160.11974	2.3
161.09630	4.2
161.13281	5.0
163.11243	4.3
163.66922	2.1
165.07088	2.3
167.08614	3.5
169.10109	15.4
171.08098	2.5
171.11736	17.5
173.09732	3.1
173.13316	11.0
175.14827	2.5
179.08646	3.0
181.10219	7.9
181.12177	2.8
183.08141	3.3
183.11690	13.9
185.13326	7.3
187.11334	2.5
187.14940	4.2
189.11256	5.8
193.10184	4.8
195.11736	8.4
197.13242	10.5
199.11298	3.8
199.14847	5.0
205.10249	2.1
209.13306	6.2
211.14880	2.9
213.12848	3.9
213.16454	3.2
219.11708	3.1
221.13335	3.8
223.13162	2.7
225.16489	2.7
227.17995	3.3
233.13197	2.3
235.14764	2.2
239.18082	2.8
241.16173	2.2
255.17448	2.7
257.19070	4.2
259.20697	5.5
273.18579	8.3
275.20279	6.6
277.21860	6.5
283.20813	2.8
287.20163	2.4
291.19559	53.5
327.23181	3.8
329.25027	2.4
339.23199	2.0
341.24805	2.5
351.23395	2.7
355.22952	2.5
381.27960	3.7
393.27695	2.2
395.29337	3.0
407.29645	5.3
411.29285	2.3
421.31375	5.2
423.32748	2.6
425.30426	3.1
439.32446	2.7
441.33832	7.3
443.31595	4.9
457.33102	3.8
498.33563	6.4
513.37653	3.2
531.38269	17.8
539.41022	4.3
549.39417	26.5
567.40637	100.0
568.40851	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81668	0.4
55.69600	0.4
61.02953	0.4
66.05388	0.4
69.03411	0.5
77.03905	0.7
79.05493	1.9
81.76679	0.4
84.04505	0.4
85.02885	1.7
89.66181	0.5
95.04961	1.2
107.04929	0.9
114.91280	0.4
115.05467	1.1
117.07082	0.4
123.04514	0.5
125.39100	0.5
125.62665	0.4
128.06212	0.5
129.06998	5.5
130.05083	0.5
131.04910	1.0
135.04410	100.0
136.04755	1.2
137.06004	0.5
143.04912	2.2
143.99864	0.4
147.04414	3.6
149.06050	0.7
157.06493	4.6
161.05983	1.6
163.03896	1.0
165.05484	0.9
173.05988	5.7
185.05937	2.4
187.07516	4.6
189.05496	1.8
191.06958	0.5
191.08563	1.2
203.07030	0.5
217.04997	0.7
219.08029	3.0
231.06508	10.0
231.08694	0.7
247.07468	1.1
249.09146	3.8
252.46127	0.4
277.08606	5.1
294.51688	0.4
295.09567	1.1
295.50107	0.4
307.09647	9.6
325.10678	28.7
326.11072	1.0
335.09143	1.8
353.10162	15.3
354.10583	0.5
371.11142	4.0
389.12366	0.5
413.28906	0.5
568.27832	3.4
586.15643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01872	0.6
56.12291	0.5
61.02914	0.9
65.03929	0.6
69.03423	1.7
69.07058	1.4
69.35379	2.1
78.04698	1.7
79.05482	1.7
81.03394	1.1
81.07040	0.6
84.08147	0.6
85.02900	5.6
91.05487	5.3
95.04953	1.4
97.02890	2.1
99.04436	0.6
103.05453	1.5
105.07017	3.1
106.04180	0.9
107.04964	4.9
115.05428	1.1
117.07033	1.3
119.04933	2.3
119.08572	1.7
121.06495	1.2
123.04433	4.2
124.05206	1.6
127.03925	1.3
128.06224	1.1
129.07002	3.6
131.04942	2.8
132.05692	1.2
133.06473	2.3
136.05206	1.4
137.05945	1.3
140.04659	0.7
145.04944	1.2
145.06476	2.6
147.08083	2.6
148.05222	0.6
149.05972	1.1
151.03934	0.9
151.07524	3.2
152.04726	1.2
153.05470	1.5
155.04906	0.5
155.07056	0.6
157.06502	0.7
159.04378	0.6
159.08044	2.7
160.05165	1.3
161.04669	0.9
161.05966	7.7
162.06674	1.0
163.03835	0.5
163.07492	1.6
167.07034	100.0
168.07384	1.6
172.05220	0.8
173.05992	2.9
175.07541	18.9
177.05470	1.6
178.07762	0.6
179.07028	10.2
180.08655	1.5
184.04933	0.5
187.07532	9.7
189.09064	0.8
191.07028	10.0
191.08688	0.9
193.08569	3.5
199.07561	4.0
203.08565	0.9
205.08588	5.9
206.07246	0.7
209.08075	2.2
217.08600	2.9
218.07265	0.7
219.08023	0.7
221.09630	2.1
223.07600	0.7
223.09659	1.1
229.12125	0.8
231.08034	0.8
233.09612	0.8
234.06833	1.2
235.07483	1.0
245.31337	0.5
249.09134	3.0
251.07060	0.6
257.06015	0.6
261.09180	1.4
263.06891	0.8
263.10852	0.7
265.08524	0.7
275.94067	0.5
277.08539	2.1
278.09241	0.8
279.06326	0.6
281.11694	4.3
289.08502	1.4
294.08853	1.3
295.09653	1.1
307.09531	1.4
308.10266	0.6
309.11255	5.0
310.11810	0.6
321.11203	2.2
326.11600	3.0
339.12161	1.1
341.13821	19.0
344.12625	0.9
351.95648	0.6
353.13867	6.7
359.14877	8.8
371.14850	12.5
371.19293	1.0
389.15994	1.4
493.43024	0.6
568.30981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24326	1.2
53.03950	1.7
55.01873	2.8
60.99694	1.4
61.02927	3.1
69.03426	4.3
69.42214	7.2
70.51720	1.4
72.75615	1.3
79.05499	3.2
81.03429	9.8
81.07058	1.8
85.02911	16.0
91.03952	2.5
91.05485	5.0
91.83698	1.5
93.03447	1.3
95.04984	2.6
97.02888	5.1
98.23473	2.7
103.05464	2.8
105.07029	4.8
107.04974	8.0
111.04496	1.5
115.05476	8.8
117.07026	12.2
119.08543	3.6
122.03653	2.9
123.04469	3.5
124.05206	2.3
127.03922	4.6
128.06212	2.7
129.07019	6.1
131.04941	7.9
131.08614	2.8
132.05736	1.8
133.06535	4.0
137.05986	72.6
137.26852	1.3
143.04941	7.4
144.05629	1.8
145.04996	4.6
145.06488	18.5
147.08061	3.5
149.06056	1.4
151.03931	3.3
151.07503	1.7
153.05473	1.7
155.06047	2.8
156.05663	3.0
157.06519	3.0
159.08047	3.7
160.05205	10.8
161.05946	8.5
163.07561	4.7
167.07047	47.5
172.05197	2.0
173.06007	31.4
175.07555	100.0
176.07799	1.5
177.05508	2.2
177.09146	1.7
180.08662	7.6
187.07556	32.1
188.08281	1.5
189.09109	5.4
190.06255	14.2
191.07018	4.0
193.08601	15.6
199.07494	1.6
201.09132	2.9
202.06221	1.8
203.07057	4.8
205.08612	73.4
209.07971	1.7
217.08611	27.2
219.10135	2.3
221.09709	1.8
233.09631	1.7
234.07005	1.7
235.07364	2.7
235.09662	42.2
239.07054	1.5
241.08612	3.3
247.09677	7.4
249.09126	3.5
261.09079	3.4
263.06955	1.5
265.10690	28.8
277.08630	3.0
278.09412	2.2
281.11694	2.4
285.07449	2.2
289.08804	1.8
293.11740	3.0
300.09985	6.2
309.11282	4.8
321.11304	7.1
326.11435	2.7
341.13885	15.0
353.13818	15.5
371.14908	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01848	2.8
55.05514	1.3
57.03431	1.5
59.21022	1.1
65.03941	1.5
66.33619	1.3
67.05515	2.4
69.03429	6.9
69.07094	1.7
70.06586	2.1
71.04997	1.4
71.50809	1.6
78.04698	1.6
79.05496	7.8
81.03419	6.8
81.03838	1.4
81.07059	2.9
85.02892	13.7
85.06525	1.3
85.64131	1.1
86.09729	1.4
87.00820	2.0
87.04462	1.8
91.05484	7.5
93.07024	7.2
94.04132	1.4
95.04953	3.4
95.08606	2.4
95.51151	1.1
97.02880	7.6
97.06503	1.2
99.04460	1.4
100.11272	4.4
103.05457	3.0
105.01874	4.5
105.07043	10.8
106.04129	1.4
107.04939	12.6
107.08598	6.9
109.02898	3.4
109.10200	1.5
115.03904	2.5
115.05415	8.5
117.07014	7.7
119.08577	2.4
120.08038	1.7
121.06537	1.6
121.10109	1.3
122.03645	3.4
123.04424	4.5
124.05241	3.3
125.05978	1.8
127.03922	6.8
128.06194	3.2
129.07014	12.7
131.04944	4.3
131.08510	2.8
133.06503	5.7
133.10089	1.7
135.04454	1.9
135.11697	4.3
137.05975	50.7
138.06250	1.6
141.06985	1.7
143.04942	5.4
143.05946	1.4
144.05716	3.8
145.05013	3.2
145.06494	17.1
147.08040	2.6
149.05995	2.2
151.03857	3.2
151.07602	1.6
153.05437	3.0
153.12758	1.6
155.04890	2.2
155.06018	2.5
156.05635	4.1
157.06490	3.9
159.08069	9.7
160.05151	8.9
161.05975	16.7
161.09610	3.1
163.03970	1.3
163.07518	2.5
165.05548	1.4
165.07019	1.2
167.07028	100.0
171.04402	1.3
172.05219	3.6
173.05969	24.0
174.06755	3.0
175.07533	67.9
177.05440	3.1
179.07024	3.0
180.08728	2.4
181.08618	2.6
184.05084	2.2
187.07544	46.4
189.09085	9.8
190.06268	8.9
190.07761	1.9
191.07028	8.6
191.08586	1.9
193.08589	3.6
199.07562	5.8
202.07880	1.8
203.06975	2.7
203.08635	3.3
205.06747	1.9
205.08583	50.8
206.07300	3.8
206.09077	1.5
209.08115	2.5
217.06580	2.0
217.08560	27.3
217.10480	2.3
218.07286	3.5
219.08144	2.3
219.10182	5.7
221.09619	6.4
221.11610	2.1
231.04990	3.5
231.07982	3.5
233.09657	4.2
234.06729	3.3
235.07381	2.7
235.09608	28.7
241.08797	1.9
247.07419	1.6
247.09708	5.0
249.06255	1.5
249.09128	8.7
250.09871	1.6
251.07031	2.6
255.70482	1.7
261.09079	6.2
265.10712	20.7
266.09244	2.0
277.08652	5.2
278.09433	2.9
281.11728	15.3
283.13318	1.5
285.07449	2.1
289.08542	3.1
290.09128	1.6
291.10229	1.9
293.11551	1.8
294.08804	3.5
295.09421	2.2
300.09839	5.3
301.10657	1.7
306.08710	2.1
309.11145	17.4
321.11105	8.1
322.12070	1.7
326.11557	2.1
339.12292	2.4
341.13812	59.3
345.08057	1.9
353.13852	15.0
359.14896	2.4
361.16302	3.0
370.27121	1.5
371.14856	23.1
388.06406	1.3
567.42804	8.8
568.22992	2.5
568.43140	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01868	1.1
55.05515	3.7
55.62456	0.4
57.07069	1.1
65.03944	1.9
67.05503	14.3
67.05864	0.7
69.07056	2.2
72.35124	0.4
77.03944	0.4
79.05488	16.1
81.07054	12.3
83.04974	1.2
83.08615	1.2
83.29242	0.4
85.06535	0.6
86.09704	100.0
87.10069	0.7
88.11269	0.5
89.01191	0.4
91.05476	19.3
92.05787	0.6
93.07040	14.1
95.04957	3.6
95.08596	6.8
96.49688	0.4
97.06527	1.7
97.10188	0.5
103.05463	0.7
105.04514	1.7
105.07024	13.2
107.04958	1.1
107.08591	5.8
109.06525	0.7
109.10162	3.0
111.08070	0.5
115.05482	1.1
117.07010	7.1
117.80591	0.4
119.03925	0.4
119.08569	9.8
121.06512	1.4
121.10141	5.4
123.08044	0.9
123.11692	1.4
125.76316	0.4
128.06232	1.1
129.06995	3.7
131.08562	8.7
132.10197	31.8
133.06508	0.6
133.10126	7.8
135.08041	1.8
135.11667	2.9
137.09569	0.6
137.13245	0.5
141.06993	1.6
142.07788	1.0
143.08563	3.2
145.10124	4.9
147.08011	0.4
147.11682	5.4
149.09695	0.4
149.13266	1.6
155.08546	1.7
157.10120	3.4
159.11676	5.7
161.09677	0.5
161.13225	3.5
163.14894	0.6
167.08551	0.6
168.62630	0.4
169.10149	1.6
171.11737	3.7
173.13232	4.5
175.11227	1.1
175.14847	2.0
177.12782	1.2
177.16449	0.5
181.10234	0.6
183.11716	1.9
185.13222	2.6
187.14819	1.4
189.12785	0.8
191.14301	0.7
195.11731	0.8
197.13210	0.7
199.14824	1.1
201.12761	1.8
201.16417	2.3
203.14664	0.4
203.17938	8.0
209.13300	0.6
211.14767	1.1
213.16383	0.8
215.18153	0.6
217.19470	0.6
219.13837	0.8
223.14883	0.5
225.16345	1.1
227.17972	1.5
236.33598	0.4
237.16504	0.5
239.18100	0.7
241.19513	1.5
245.18967	0.9
267.21106	0.7
304.22934	1.0
332.25967	0.6
419.33148	1.0
437.33865	0.5
522.42987	1.8
568.43085	0.9
568.56714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.7
57.08064	0.4
66.92701	0.4
67.05523	0.7
69.07090	0.5
70.06614	0.5
72.08152	0.4
79.05506	0.5
81.03440	0.5
81.06547	0.3
81.07053	1.3
84.08171	0.5
85.02908	0.6
86.09679	0.8
86.42955	0.4
88.96620	0.4
91.05473	0.6
93.07047	0.8
95.04985	0.4
95.08624	0.8
97.06536	0.5
104.10744	0.5
105.07069	0.6
107.08656	0.4
109.02893	0.4
109.10170	0.7
119.08607	0.8
121.10184	0.7
127.03845	0.8
133.10167	0.6
135.11565	0.4
151.07555	0.4
159.11667	0.4
160.90477	0.4
184.07367	0.7
185.04243	0.6
229.07022	0.5
267.21024	0.5
275.13147	0.8
275.16190	17.1
317.08441	23.6
517.88971	0.4
544.83899	0.4
569.25659	100.0
570.25946	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46828	1.5
77.00986	1.4
77.08685	1.2
80.87208	1.5
81.07069	1.6
91.29456	1.3
98.97591	2.2
100.40336	1.4
107.08570	1.4
116.74860	1.3
119.92350	1.4
126.25418	1.2
149.01218	1.9
164.01332	1.2
173.29724	1.3
240.46852	1.4
351.18225	1.5
569.27124	100.0
570.27386	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.7
56.96564	0.8
60.73690	0.8
68.69398	0.7
70.96951	0.7
86.84201	0.7
98.97559	0.8
120.96995	0.7
131.00159	1.0
149.01215	1.4
161.75064	0.7
177.00760	0.8
192.03748	0.7
206.93880	0.8
288.64069	0.9
293.05374	1.5
315.16260	1.0
333.17355	2.5
351.18423	0.8
420.23703	0.8
551.25519	1.1
569.27515	100.0
570.27582	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11483	0.2
66.03127	0.2
70.73653	0.3
71.88566	0.2
77.37921	0.2
84.54714	0.2
99.97602	0.2
103.43920	0.2
108.10571	0.2
181.14098	0.2
185.04233	0.5
200.05061	0.2
207.91383	0.2
259.07773	0.4
295.15402	0.3
309.16580	0.2
331.10193	0.4
407.23981	1.7
457.20428	2.9
471.21814	2.6
487.21524	0.8
569.29285	100.0
570.29614	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12350	0.3
54.64423	0.4
69.64420	1.0
172.38687	0.4
185.04216	0.5
331.10086	0.5
405.21274	0.3
407.24094	1.4
450.13037	0.3
457.20532	2.8
471.21878	4.1
487.21536	1.1
491.77112	0.4
506.49814	0.3
569.29285	100.0
570.29596	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76590	0.3
68.21017	0.3
69.03428	0.3
69.34835	1.4
95.08630	0.4
96.01980	0.3
157.04750	0.4
184.03511	0.4
185.04149	1.7
193.19133	0.3
201.03738	0.6
205.81824	0.3
259.07947	0.5
275.07428	0.5
301.09119	0.4
331.09900	2.0
345.11682	0.4
365.10608	0.9
373.14569	0.4
407.23923	3.1
499.21664	1.0
551.28448	0.7
558.43127	0.4
569.29303	100.0
570.29688	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.8
53.03925	2.9
55.01870	3.9
55.05509	30.9
57.03440	2.4
57.07059	2.1
65.03928	2.0
67.05499	39.1
69.03395	1.3
69.07063	14.0
69.35101	4.2
71.04982	3.4
77.03893	1.2
77.28801	0.7
79.05486	38.4
81.03413	4.3
81.07050	41.1
83.04972	7.2
83.08614	25.7
85.02861	1.1
85.06530	2.8
86.09715	0.7
89.06007	0.9
91.05473	47.4
93.07037	40.2
95.04958	25.5
95.08600	28.1
97.06532	7.4
97.10149	4.8
98.23294	2.6
99.08083	1.7
103.05450	1.9
105.04504	2.6
105.07022	49.2
107.04945	10.6
107.08585	28.1
109.06508	6.9
109.10147	13.9
111.08052	6.5
112.81253	0.7
113.05978	1.1
115.05420	2.0
117.07007	17.5
119.08573	43.1
120.09384	0.9
120.72282	0.7
121.06491	5.5
121.10133	20.8
123.04449	0.9
123.08034	4.7
123.11715	4.2
125.09631	5.8
128.06146	1.6
129.06978	7.2
130.07799	1.5
131.08554	24.2
133.06476	1.4
133.10120	38.0
134.10939	0.8
135.08041	5.3
135.11687	12.4
137.09627	3.2
139.11163	3.0
139.68680	0.8
141.06992	2.2
141.08940	0.9
143.08540	7.2
145.06459	1.1
145.10115	31.0
147.08044	3.0
147.11679	29.5
148.12436	0.9
149.09610	26.8
149.13249	7.5
151.11150	4.0
153.09128	1.2
154.07777	0.7
155.08571	4.4
156.09235	0.7
157.10107	6.8
159.08025	0.9
159.11691	18.2
161.09598	2.9
161.13245	13.4
163.11171	26.9
163.14807	1.8
165.09021	0.8
165.12741	7.3
167.08507	1.3
167.10553	1.1
168.09331	0.8
169.10150	5.5
171.11667	10.0
173.09592	4.8
173.13266	7.9
175.11206	4.5
175.14806	5.6
177.12729	4.7
179.10602	1.0
179.14198	0.7
181.10092	0.7
181.12228	1.4
183.11679	5.6
185.13148	4.5
187.11177	2.4
187.14825	2.7
189.11209	1.8
189.12735	2.5
191.10649	1.0
191.14368	1.6
193.12212	1.5
195.11694	1.3
197.13274	4.7
199.14769	2.7
201.12782	1.6
201.16367	1.6
205.12231	1.8
205.15843	1.0
211.14856	1.6
213.16451	2.7
215.14233	1.7
215.17947	2.0
217.15924	0.8
219.13794	1.2
223.13266	13.3
223.15271	1.2
229.15871	1.1
229.19443	3.5
231.21138	2.1
233.15361	2.2
239.17918	10.5
241.19498	6.8
247.17049	1.0
247.20581	3.3
253.19583	0.8
257.18967	15.3
259.20557	25.9
260.20987	1.0
265.21982	0.9
273.18439	0.8
275.20044	100.0
276.20676	5.9
277.21616	22.2
293.21088	26.1
301.21585	2.1
343.26215	1.2
369.70462	0.8
407.29233	1.2
423.32376	3.0
441.33673	4.7
443.31351	1.9
515.38727	1.7
533.39679	3.2
551.40979	8.2
569.42029	10.3
570.42126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01877	5.7
55.05511	36.4
57.03433	3.2
57.07068	7.9
65.03944	5.9
67.05506	63.5
69.07066	23.7
69.15854	11.1
69.16258	4.4
71.04996	5.5
79.05489	70.0
81.03403	5.2
81.07053	86.3
83.04994	6.2
83.08614	20.1
85.06528	4.3
91.05478	98.6
93.07041	58.8
95.04965	22.9
95.08604	45.6
97.06514	7.7
97.10164	3.0
98.23085	13.8
99.08121	5.1
103.05470	6.3
105.04522	2.7
105.07029	100.0
106.07364	2.9
107.04967	9.8
107.08596	34.7
109.06513	13.6
109.10171	17.8
111.08054	2.8
113.09557	3.1
117.07016	25.0
119.08577	70.2
121.06539	3.5
121.10133	26.8
123.08073	7.1
123.11730	8.6
123.91831	2.8
128.06239	3.7
129.07008	11.8
130.07753	4.4
131.08572	35.3
133.10120	50.9
135.08049	6.0
135.11681	16.1
137.09608	5.0
141.06956	4.9
143.08545	14.1
145.10120	29.7
147.11679	56.4
147.86450	2.4
149.09641	8.9
149.13268	6.5
155.08583	5.1
157.10161	9.1
159.11690	15.9
161.09656	4.8
161.13237	30.6
163.11176	11.3
163.14816	3.0
165.12755	7.5
169.10164	5.9
171.11708	12.6
173.13264	9.8
175.11221	3.0
175.14842	10.3
177.12804	2.4
183.11655	2.9
185.13293	7.8
187.14842	7.3
199.14832	4.4
211.14932	3.0
213.16385	3.2
224.79352	2.4
229.19525	4.0
231.20970	4.5
239.17842	3.0
241.19536	19.2
242.98590	2.9
247.20692	3.2
257.19016	7.0
259.20566	60.7
274.24741	3.2
275.17075	3.0
275.20059	55.9
277.21646	9.0
293.21136	14.5
445.32782	3.3
518.13464	3.2
533.39801	5.5
551.40625	11.2
569.42017	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
69.03405	0.6
69.21008	1.3
70.06584	0.4
85.02896	1.6
86.09705	0.3
91.05465	1.2
97.02870	0.4
103.05460	0.5
107.04916	0.4
115.05441	0.8
116.06222	0.3
117.06977	0.4
119.05003	0.3
127.03916	0.4
128.06229	1.1
129.06082	0.5
129.07002	6.7
129.77466	0.3
131.04926	1.2
131.08566	5.6
137.05997	2.1
141.06978	4.7
143.04927	0.4
143.08559	0.4
144.05692	0.6
145.04872	0.4
145.06491	0.7
146.07230	0.6
147.04350	0.4
151.07487	0.4
153.05420	0.3
153.06793	0.3
157.06471	5.4
158.07256	2.3
159.08058	5.2
160.05194	1.1
161.06000	0.3
161.09659	0.4
163.07553	0.6
167.07065	0.6
169.06467	2.9
169.07701	0.4
170.07257	1.2
171.07953	0.4
173.05861	0.4
173.09642	0.3
174.06763	12.2
175.07558	2.9
177.05443	0.9
186.06732	2.9
187.07504	0.4
188.08313	0.6
189.09106	21.8
190.09442	0.6
191.10622	2.2
201.05478	0.6
201.09111	7.5
207.10228	0.6
219.10155	100.0
220.10454	2.3
225.94839	0.3
237.11247	0.8
238.49551	0.3
381.15555	0.3
519.26392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.86901	0.5
57.03432	0.9
57.65567	0.6
58.24319	0.5
61.02935	1.2
67.05505	0.6
69.03416	2.3
70.06574	1.0
77.03943	0.7
79.05483	1.9
81.03429	1.1
84.04525	0.6
84.87249	0.5
85.02901	6.9
85.86655	0.6
86.09677	0.8
91.05480	4.8
93.07033	2.5
95.04970	1.9
97.02898	2.5
97.20671	0.6
99.04453	1.1
103.05469	1.9
105.04507	0.8
105.07008	2.9
107.04943	7.0
109.02861	0.7
109.06465	0.9
111.08043	0.6
115.05466	1.7
117.07026	1.4
119.04954	1.3
120.05679	0.7
120.08113	0.7
120.69425	0.5
121.06510	4.2
123.04456	1.7
124.05215	1.1
125.05952	0.8
127.03876	0.8
128.06235	2.0
129.07002	9.8
131.04906	2.9
131.08560	6.8
133.06511	0.8
135.08034	2.2
137.05963	6.7
140.04675	0.8
141.06998	4.3
143.04926	0.8
143.08635	0.6
144.05600	0.7
144.06610	0.8
145.04951	1.4
145.06453	1.9
146.07263	0.9
147.04472	1.1
147.08006	1.0
148.05206	1.3
149.05965	1.7
151.03905	1.1
151.07570	6.2
152.04623	0.7
153.05479	3.4
157.06491	9.0
158.07265	2.6
159.08076	5.5
160.05208	0.9
161.05974	8.7
161.09634	4.2
163.07526	6.0
165.05460	0.6
165.06969	1.0
165.09097	2.2
166.06209	2.5
167.07033	25.8
167.08447	1.1
168.07402	0.8
169.06444	1.2
170.07240	1.0
173.06133	1.0
174.06763	12.5
175.07538	7.2
177.05466	1.7
177.09090	4.1
179.07004	1.2
179.08537	0.7
180.08653	2.4
181.08592	30.3
186.06755	1.7
187.07591	1.0
188.08319	1.1
189.09102	39.3
190.09428	0.8
191.07018	1.9
191.08594	1.0
191.10645	2.4
193.06512	0.8
195.08086	2.2
196.08716	0.7
197.09631	1.9
201.09084	8.1
203.10626	0.7
207.10124	3.4
208.08804	1.0
210.06879	0.7
211.07579	1.1
219.10146	70.2
220.10533	1.7
221.05968	1.7
222.06627	0.6
223.07594	1.8
223.11140	1.1
223.96535	0.7
224.08290	0.6
225.09137	4.4
227.07173	0.7
230.15311	1.4
235.07552	0.8
236.08290	0.9
237.09097	1.3
239.06955	1.0
239.10683	1.0
240.07784	1.4
241.08548	0.7
247.07465	1.2
251.06967	1.3
251.10738	2.1
253.08632	4.0
254.09219	0.6
255.10092	1.1
257.08215	1.0
257.11716	4.3
268.07263	0.7
269.08017	0.7
270.08798	1.3
279.10104	1.3
283.09656	4.1
283.13251	2.1
285.11179	7.0
296.10458	1.0
297.11191	0.8
299.09460	1.1
299.12692	0.9
302.11508	1.5
305.13858	1.4
309.11264	0.7
311.12799	2.5
315.12192	5.0
317.13849	10.7
329.13882	1.7
331.15323	2.5
343.15405	16.1
361.16437	100.0
362.16794	3.4
373.16385	0.8
570.29077	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
55.05508	1.5
61.38263	1.3
67.05518	1.3
69.03428	4.3
69.17051	7.5
70.06590	11.8
79.05487	6.7
81.03395	2.0
81.07054	3.0
85.02896	9.6
85.03338	1.4
86.09712	4.5
91.05501	7.6
93.07037	4.0
95.04959	3.0
95.08610	2.2
97.02881	6.3
97.06590	1.3
103.05469	4.6
105.07025	4.4
107.04955	10.0
109.06537	2.0
114.12801	21.3
115.05460	1.9
115.13152	6.8
117.07030	1.8
119.04942	2.5
121.06513	4.5
123.04425	4.9
123.40328	1.5
124.05164	1.9
127.03944	1.4
128.06203	2.0
129.07021	9.4
131.04903	9.2
131.08554	9.7
133.06522	4.6
133.10185	1.4
135.08083	2.6
137.05966	34.0
143.08586	1.7
144.05722	2.1
145.06502	2.6
149.05949	2.0
151.03906	3.0
151.07510	7.0
152.04668	2.8
152.07054	2.4
153.05479	3.2
157.06508	7.1
159.08054	7.7
161.05977	8.9
161.09625	4.2
163.07547	14.8
165.09100	2.9
166.06270	2.8
167.07031	100.0
168.07324	2.4
172.89153	1.2
174.06813	6.5
175.07552	7.4
177.09125	6.2
179.07013	1.9
181.08601	28.4
187.07542	12.2
189.09090	34.6
191.10596	3.4
193.08623	5.5
195.08070	3.4
197.09657	2.6
201.09084	2.3
203.10648	3.5
204.07835	8.2
207.10156	3.2
211.07684	1.9
211.09688	5.8
213.12369	2.4
219.08179	3.0
219.10130	16.4
221.11699	2.9
223.07521	2.2
225.09045	3.5
231.10185	2.3
235.07584	1.6
237.09013	2.3
239.06914	1.6
247.07684	1.7
247.37024	1.2
253.08601	4.8
257.11749	2.8
263.10437	1.7
265.08487	2.3
267.10062	1.6
279.10141	2.5
283.09753	4.2
283.13260	3.1
285.11234	6.1
291.09955	1.6
297.11316	3.2
299.12680	1.5
302.11462	2.3
311.12692	2.0
315.12244	5.9
317.13705	6.3
323.12589	1.7
325.14096	1.6
329.13739	2.5
343.15488	11.1
345.17407	1.3
355.15308	11.3
357.16971	3.8
358.19867	1.5
361.16452	98.3
362.16748	3.4
373.16409	4.5
375.18021	2.0
439.99954	1.4
444.63217	1.5
569.33124	2.7
570.33594	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02965	0.6
69.03418	0.8
77.03925	1.0
78.04712	1.0
79.05486	4.0
81.03419	0.7
81.07042	1.2
85.02896	1.3
91.05449	2.6
93.07047	1.6
95.04961	1.9
95.08589	0.8
97.02876	1.1
101.69405	0.6
103.04978	0.6
103.05476	7.6
105.03381	1.0
105.04526	1.6
105.07014	3.2
107.04964	5.1
107.08606	1.3
115.05452	1.2
117.07021	1.0
119.04971	1.3
120.08097	1.6
121.06488	1.1
123.04399	3.1
128.06226	0.9
129.07002	1.1
131.04919	14.4
133.06436	4.8
135.04405	100.0
135.08043	2.9
137.05969	3.5
143.05002	1.6
143.08540	2.0
145.06479	1.9
147.04387	1.3
149.06017	7.0
151.07527	3.5
152.04680	1.3
153.05441	0.9
157.06490	1.2
159.08070	1.2
160.05099	1.0
161.05957	13.3
162.09128	1.3
163.07533	17.6
163.14871	0.9
167.07030	47.9
168.07361	1.0
171.08044	2.1
173.06033	3.4
175.07526	1.6
181.08510	4.2
185.05966	1.8
186.06827	0.7
187.07487	3.3
190.12224	1.3
193.08566	3.5
199.07440	0.7
201.09033	4.7
205.08499	1.1
213.90758	0.6
219.10158	6.6
233.11768	1.4
237.11333	1.0
241.18044	1.5
251.12726	0.8
261.09225	1.2
263.10629	0.8
272.20038	2.0
289.18301	0.7
291.10327	1.5
293.11633	1.6
323.12802	8.9
325.14459	1.1
326.93552	0.8
334.23740	2.2
355.15372	35.1
356.15659	0.8
373.16483	20.4
408.27219	1.3
570.24780	1.4
570.32886	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03940	0.6
55.01862	0.6
69.03422	1.5
69.14700	2.5
70.06573	1.2
70.44159	0.5
77.03908	1.1
78.04704	1.1
78.36636	0.4
79.05493	4.7
79.78257	0.4
81.03409	1.2
81.07040	0.7
83.87748	0.5
85.02894	3.5
91.05471	2.5
93.07044	0.7
95.04970	1.7
97.02874	1.1
98.22638	1.0
99.33173	0.5
103.05476	8.1
105.03401	1.1
105.04505	0.9
105.07009	3.4
106.04176	0.8
107.04971	4.6
109.06527	0.8
114.81483	0.5
115.05479	1.1
117.07014	0.7
119.04934	1.0
119.08532	0.6
120.08079	2.8
121.06503	1.1
123.04410	2.7
123.08058	0.7
124.05174	0.9
125.06059	0.5
128.06207	1.2
129.07008	1.5
131.04913	13.5
131.08540	1.1
133.06488	5.7
135.04411	100.0
135.07965	2.8
136.04712	1.4
137.05962	3.9
140.04633	0.5
141.07014	1.3
143.04950	1.0
143.08548	1.6
145.06462	2.0
147.04410	0.8
147.08049	2.0
149.05965	6.1
151.03967	0.5
151.07524	2.7
152.04749	0.6
157.06456	1.1
159.08069	1.7
160.05278	0.7
161.04703	1.1
161.05981	15.5
163.07536	19.5
163.29666	0.5
167.07037	53.1
168.07428	0.7
171.08034	2.2
173.06021	2.7
173.09570	0.6
175.07561	2.6
179.07019	1.0
180.08600	0.7
181.08598	3.6
185.05991	1.9
186.06699	0.9
187.07521	3.9
189.09207	0.8
193.08588	3.8
197.83688	0.5
201.09090	5.7
205.08582	1.8
205.10294	0.7
207.10127	1.2
219.10156	6.8
221.11935	0.5
233.09633	1.5
233.11743	1.8
237.11176	2.0
251.12753	1.8
261.09100	1.0
263.10464	0.7
263.12927	1.0
265.12271	0.6
272.20374	0.5
277.08777	0.5
291.10092	1.7
293.11676	1.1
323.12802	10.8
325.14334	1.0
335.09491	0.6
342.53723	0.6
355.15393	39.5
356.15710	1.2
373.16443	24.9
374.16623	1.2
570.25745	1.2
570.32721	2.1
571.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.6
68.63901	2.9
69.03441	5.5
70.92094	5.3
85.02899	3.4
91.05479	7.3
95.04974	5.4
95.08619	3.7
96.52840	3.1
97.02912	5.6
108.44535	2.8
123.04462	8.5
129.07045	3.3
135.04454	5.9
145.06435	5.5
148.50801	3.2
151.03957	3.9
151.07539	57.3
153.01877	3.9
158.07329	3.1
159.08052	4.7
163.03931	7.6
171.07971	4.2
172.08792	21.7
173.05917	8.7
175.07614	3.1
188.08316	31.0
189.09087	33.6
195.08046	4.6
201.09062	9.9
203.10658	100.0
209.09441	4.1
219.08032	3.9
221.09624	4.3
222.10419	12.5
223.07458	5.5
225.09261	4.9
235.07544	5.1
237.09068	7.2
238.09831	8.8
239.10704	6.0
241.12160	5.5
247.07454	5.2
249.09171	3.5
250.09891	4.5
251.10728	10.6
253.12262	23.0
254.12727	4.0
263.10706	7.4
264.11166	4.1
265.08615	8.4
267.10196	3.7
271.13177	4.5
280.10681	5.6
281.11737	21.0
291.10107	14.7
293.07813	3.7
295.12961	3.5
299.12827	7.1
308.10385	5.2
309.11020	17.7
315.04965	6.1
316.05435	5.4
319.09766	4.8
323.09338	4.8
323.12607	15.6
331.08093	14.8
332.08420	21.3
333.11115	8.3
337.10580	13.0
341.13931	15.1
351.12289	64.2
359.14807	7.3
365.13940	4.5
369.13394	23.2
383.14780	16.8
387.14557	7.0
396.11105	3.3
397.12714	4.5
401.15836	10.8
411.14389	33.9
415.13812	4.3
429.15479	13.4
436.30292	3.4
443.17007	9.0
457.14957	4.1
461.17984	7.6
472.22235	4.7
475.15829	4.4
489.17401	5.0
494.07617	3.3
570.29449	98.2
570.38361	6.6
571.30707	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01870	5.0
55.05511	15.7
65.03947	1.7
67.05511	20.2
69.03442	2.6
69.07074	6.3
69.26501	8.3
71.04993	9.8
79.05498	22.2
81.03426	4.2
81.07063	42.4
83.04992	4.2
83.08631	11.9
85.02911	1.8
85.06519	1.8
86.09778	1.4
91.05490	17.5
93.07035	15.9
95.04987	13.4
95.08640	10.1
97.06555	4.2
97.10162	15.3
98.23089	7.7
99.04449	1.9
99.08079	2.2
104.10738	4.1
105.07046	9.3
106.32777	1.5
107.04950	4.8
107.08583	12.6
109.06513	6.8
109.10146	7.5
111.04449	3.7
111.08073	4.1
117.07014	8.6
119.08587	17.4
121.06512	6.0
121.10154	6.5
123.08083	6.5
123.11711	1.7
124.99958	1.6
125.09655	14.0
129.07019	3.7
131.08575	7.6
133.06483	2.9
133.10135	8.7
135.08070	4.6
135.11722	5.3
137.09613	2.8
143.08594	3.4
145.10153	11.4
147.08052	11.1
147.11678	3.5
149.09637	5.7
151.11191	1.6
153.09082	2.1
153.12743	3.9
157.10143	5.0
159.11693	5.9
161.09663	4.5
163.11215	4.8
165.09128	3.4
171.10240	1.8
171.11694	2.7
173.09679	2.0
175.11212	1.6
181.12285	1.6
184.07338	4.6
185.13156	1.7
187.13222	2.0
189.11224	6.6
191.10672	4.0
193.12267	1.6
195.13797	1.9
209.11714	1.9
223.13362	3.3
227.12807	4.4
245.18944	3.4
249.14906	4.2
255.17531	2.1
273.18536	23.0
291.19559	100.0
292.19965	1.7
293.21167	1.7
297.78882	1.5
305.21030	5.1
309.20615	5.8
444.29163	1.6
459.31082	4.2
485.32303	1.6
570.17944	1.8
570.33276	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01881	3.3
55.05271	3.0
55.05501	17.5
56.37862	2.1
57.07057	2.3
59.98017	2.1
67.05498	17.8
69.03387	2.2
69.07060	10.4
69.53685	8.0
79.05475	20.7
81.03414	9.9
81.07054	24.8
82.35535	2.2
83.04963	7.6
83.08620	15.0
91.05472	17.8
93.07058	20.9
95.04961	26.9
95.08623	17.7
97.06506	7.0
97.10155	4.7
98.69382	2.2
100.39916	2.3
103.73563	2.8
105.07036	23.3
107.04900	5.3
107.08599	18.5
109.06519	5.5
109.10144	7.2
111.08072	3.9
117.07009	6.5
119.08574	19.4
121.06499	5.5
121.10151	10.3
123.08070	4.8
123.11656	2.5
125.09613	5.7
129.07037	3.8
131.08546	13.9
133.06432	2.3
133.10132	22.5
135.08017	3.2
135.11682	7.6
137.09618	4.5
139.11243	2.4
139.55698	2.2
141.07072	2.5
143.08578	3.3
145.10085	14.7
147.11679	10.1
149.09645	14.1
157.10138	5.7
159.11687	7.2
161.13197	2.6
163.11189	18.6
165.12695	2.5
173.09622	3.1
175.11227	3.4
177.12837	2.8
183.11674	2.5
193.12204	6.8
197.80339	2.7
211.13251	4.4
223.13242	15.1
231.65314	2.7
239.17960	8.5
247.20442	2.6
249.11040	3.1
257.19055	9.7
258.90903	2.4
275.20038	100.0
276.20288	2.4
291.19559	6.6
293.21103	41.8
300.29053	4.6
357.24387	2.4
396.32831	2.3
435.38525	2.7
445.40555	2.4
449.30658	4.3
467.31409	6.8
485.32480	10.1
509.41028	2.8
510.19485	4.2
534.79785	2.4
565.90656	3.1
570.34393	4.6
570.43420	9.8
571.22198	5.5
571.32092	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05502	3.0
57.07059	0.8
65.03927	1.2
67.05498	14.8
69.07055	3.0
69.13397	2.1
77.03909	0.7
79.05485	12.4
81.07049	12.8
82.07410	0.3
83.08602	1.2
85.06541	1.1
86.09695	100.0
87.10022	0.6
88.11253	1.3
91.05469	16.6
93.07041	11.9
95.04942	1.9
95.08018	0.6
95.08598	8.6
97.06516	0.8
97.10152	0.8
103.05531	0.4
105.04493	1.3
105.07018	7.8
107.08580	7.0
109.10140	3.6
111.08044	0.8
115.05422	1.0
117.07001	6.1
119.08565	9.2
121.10138	7.7
123.11693	1.5
128.06230	0.8
129.06984	3.0
130.19434	0.3
131.08554	10.1
132.10190	49.4
133.10109	7.0
135.08037	0.5
135.11664	4.5
137.09561	0.4
137.13242	0.4
141.06938	0.8
142.07790	0.8
143.08513	3.3
144.09244	0.4
145.10109	7.7
147.11658	5.1
149.09596	1.0
149.13255	2.6
155.08549	1.4
157.10107	3.2
159.11656	5.4
159.16748	0.4
159.76776	0.4
161.09610	0.4
161.13240	3.3
163.11166	1.5
163.14783	1.6
169.10123	1.2
171.11687	4.1
173.13239	3.7
175.14825	2.0
177.12744	1.1
177.16309	0.9
183.11658	1.6
185.13213	3.1
187.14796	2.0
189.12691	0.9
189.16373	1.4
197.13235	1.1
199.14796	2.1
201.16316	2.0
203.14311	0.4
203.17934	1.4
211.14815	0.7
213.16318	1.2
215.14397	0.4
215.17905	1.0
217.19516	0.4
223.14609	0.5
225.16365	0.9
227.17905	1.2
229.15877	0.5
229.19537	0.7
231.21210	0.5
239.18018	0.6
241.19405	0.4
243.21048	0.6
253.19495	0.7
255.20663	0.4
257.22534	0.4
265.19553	0.5
269.22476	0.5
281.22318	0.4
294.20532	0.4
377.36124	0.4
390.55624	0.4
403.33282	0.4
421.34753	1.7
552.43616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.309
Annotation	Unknow
Peak:m/z	Relative Intensity
80.06335	0.3
97.02914	0.6
99.56231	0.3
112.68181	0.3
118.67632	0.3
121.42661	0.3
138.62891	0.3
144.79305	0.3
147.25726	0.4
185.04375	0.4
275.07541	0.3
295.15454	0.4
331.10040	0.7
409.25589	2.5
431.18726	0.5
457.20480	3.9
471.21945	2.0
487.21454	0.3
553.29211	0.4
555.87708	0.3
571.30902	100.0
572.31238	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.6
53.58463	2.8
55.05513	41.7
57.07082	3.8
60.22114	2.7
65.03938	3.3
67.05503	51.5
69.07059	17.6
69.39861	6.7
69.40275	10.1
76.61544	2.6
79.05493	53.5
81.07057	48.5
83.04981	5.4
83.08615	21.5
85.10191	4.3
86.09705	100.0
87.10043	13.7
91.05480	43.1
92.05809	5.2
93.07043	53.0
94.07404	4.4
95.04992	9.8
95.08604	34.1
97.10156	3.5
98.23215	9.9
105.07032	33.2
107.08588	28.6
107.34261	3.0
109.10189	11.6
117.07019	15.4
119.08579	34.4
121.10126	24.6
123.08079	4.0
129.07079	9.0
130.07512	3.0
131.08548	22.6
132.09203	4.1
132.10204	33.8
133.10078	25.2
135.11696	19.8
135.27560	2.7
139.34856	3.1
143.08614	9.9
145.10110	15.8
147.11723	18.1
149.13289	8.2
152.02034	3.0
155.08517	4.6
157.10138	8.1
159.11681	15.7
161.13298	11.7
163.14845	3.7
169.10161	7.2
171.11696	8.7
173.13292	12.4
177.12704	4.9
185.13260	6.1
188.93054	3.3
197.13313	3.5
199.14767	4.4
259.20575	9.5
270.86591	2.9
275.20126	7.6
277.21649	34.9
303.23267	6.4
369.96973	3.5
425.34061	8.4
443.35153	11.7
445.33197	5.0
535.41620	5.8
553.42291	11.7
571.43304	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70882	4.4
55.05256	7.0
55.05507	71.8
57.07097	4.4
58.11950	4.5
64.09959	4.1
67.05196	6.5
67.05500	53.8
69.07053	27.4
69.15572	36.1
69.86965	4.6
71.04989	6.8
79.05477	60.2
81.07054	68.1
83.04999	6.3
83.08614	47.1
86.09705	17.9
91.05472	45.9
93.07032	86.9
95.04957	8.7
95.08603	46.5
97.10158	7.4
98.22704	9.7
105.07011	37.9
107.08577	45.4
109.10146	20.0
113.09629	5.8
117.07041	15.4
119.08529	35.1
121.06570	5.9
121.10117	33.9
123.11676	10.5
129.06963	13.9
131.08554	23.5
132.10201	9.1
133.10115	39.6
135.11671	24.7
139.11180	5.9
143.08575	15.7
145.10100	20.7
147.11650	23.0
149.09627	5.8
149.13269	13.5
156.36487	5.2
157.10094	11.0
159.11699	14.6
161.13252	13.8
171.11719	9.1
173.13295	11.2
185.13255	8.7
187.14853	7.9
199.14684	6.3
241.19522	8.9
259.20554	12.7
275.19983	14.5
277.21597	100.0
287.53421	5.6
295.22623	7.7
303.23135	15.8
317.24658	8.3
343.26120	5.2
407.33478	5.7
425.34271	15.8
443.35251	28.4
445.32983	9.6
505.43253	4.9
516.15991	5.1
535.41296	11.0
553.42664	23.0
565.91364	5.9
571.43713	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22832	0.3
57.03438	0.5
61.02916	0.8
65.92635	0.3
69.03428	2.1
74.64056	0.3
74.89919	0.3
79.05489	0.5
81.03402	0.9
85.02905	5.3
91.05466	0.8
94.04179	1.3
95.04958	0.4
97.02878	1.4
107.04939	0.4
109.02892	0.4
109.06516	0.5
115.05436	0.7
121.06488	0.5
122.03638	4.3
125.05988	0.7
127.03910	0.8
131.04942	1.1
133.02869	0.8
137.05971	100.0
138.06323	1.7
143.04924	1.1
145.04932	1.4
147.04454	0.5
149.05959	1.5
151.03899	0.5
151.07613	0.7
153.05441	0.4
159.04454	0.6
161.05975	3.0
163.07549	1.4
165.05557	0.6
165.06839	0.5
173.94176	0.3
175.07558	3.2
177.05429	0.7
179.07019	1.7
179.08496	0.7
189.06985	0.3
191.06999	4.3
203.07022	1.8
205.06519	0.7
205.08438	0.4
206.07181	0.4
207.08014	0.9
210.06746	0.7
217.06528	0.4
219.08086	0.5
221.06006	1.3
221.08076	1.1
222.06772	0.5
223.07538	0.7
224.08337	0.5
225.09099	1.5
233.06017	0.8
234.06718	1.4
235.07526	1.4
237.09134	1.4
239.10701	0.7
241.08569	0.5
247.07544	0.4
247.41457	0.3
249.09102	1.1
251.07068	0.5
252.07840	0.7
253.08615	2.2
255.10057	0.6
262.06259	0.8
263.06766	0.5
265.08685	3.1
266.09137	0.6
267.10147	3.2
273.11310	0.5
277.08536	2.8
279.06534	0.4
279.10123	0.5
283.09464	0.4
284.10388	0.9
285.11218	3.1
294.08792	2.2
295.09619	1.4
297.11258	2.8
299.12781	0.9
309.11185	8.1
315.12238	4.4
325.10715	0.4
327.12228	11.0
327.16119	0.6
339.12564	0.3
345.13315	32.3
346.13641	1.1
346.66229	0.4
357.13312	1.1
377.69894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14725	0.5
61.02912	0.9
67.05486	1.0
69.03422	2.1
70.06573	1.0
70.29949	1.3
72.23577	0.6
74.61864	0.6
78.65871	0.6
79.05486	0.9
81.03399	1.2
85.02894	5.4
86.09682	0.8
88.21250	0.6
91.05482	2.8
94.04185	1.6
95.04931	0.8
97.02885	1.7
103.05470	4.2
105.07027	2.4
109.06510	1.8
115.05492	1.4
117.07074	0.8
119.04973	1.8
121.06499	0.9
122.03643	4.2
123.08079	1.3
127.03864	1.0
129.06996	1.7
131.04924	11.2
133.02863	1.1
133.06439	1.3
134.08234	0.7
137.05975	100.0
138.06323	2.1
140.79964	0.6
143.04926	0.7
145.04987	0.7
145.06479	1.9
146.03705	0.6
147.04408	2.2
149.05960	1.5
151.07504	2.9
153.05482	2.1
157.06503	1.3
159.04401	1.2
161.06020	4.2
162.06668	0.6
163.07545	27.0
163.62137	0.7
173.06000	0.9
175.07533	7.4
176.04697	0.7
177.05528	0.7
177.09149	3.3
179.07036	19.2
179.08505	0.8
184.07454	0.6
189.09099	1.5
191.07024	4.4
193.06396	0.6
194.07304	0.7
203.07010	2.4
205.06680	1.3
205.08586	11.2
207.08026	0.8
217.08650	0.7
221.06027	0.8
234.06461	1.0
235.07578	1.1
235.09619	6.3
236.08098	0.7
237.09209	1.3
238.06104	0.6
245.11363	0.6
247.07587	0.8
251.10686	1.3
253.08694	1.4
255.09952	0.8
263.07358	0.7
265.08572	2.8
267.10208	2.6
277.08655	2.1
279.10126	1.7
280.69601	0.7
283.09570	0.8
285.11240	2.7
294.08972	1.6
295.09662	2.2
297.11057	3.1
299.12799	2.3
309.11234	6.8
311.12756	9.3
315.12231	4.4
323.12766	0.8
325.10678	0.9
327.12265	12.6
329.13861	3.1
340.42596	0.6
341.13913	0.8
345.13327	22.8
346.13882	0.7
357.13467	0.9
395.42676	0.7
511.73267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01861	5.0
55.05503	4.3
57.03435	19.5
59.04983	2.8
61.02911	3.3
65.03940	2.5
67.05508	3.1
69.03063	3.6
69.03427	55.2
69.07063	17.1
70.06570	3.2
71.01338	2.7
73.02915	20.4
76.25878	2.0
79.05492	5.8
81.03401	9.3
81.07040	6.6
83.04964	5.4
85.02902	46.1
86.09696	5.4
87.04469	24.0
91.05473	22.5
93.07030	6.6
94.04173	4.2
95.04406	1.9
95.04952	7.7
95.08597	2.1
97.02889	77.2
97.06503	1.9
99.04459	4.5
103.05466	11.8
105.01847	2.0
105.03378	2.1
105.07016	12.8
107.04945	6.2
109.02866	4.9
109.06490	4.8
109.10165	2.2
111.04449	5.4
111.11720	8.7
115.03928	74.6
115.05398	4.5
116.07058	2.2
117.06982	3.4
119.04932	19.7
119.08543	3.6
121.06484	6.0
122.03654	6.4
123.04419	5.3
127.03902	11.6
128.06184	3.9
129.07016	5.0
130.04106	3.3
131.04933	18.9
131.08499	2.1
133.04967	51.5
133.06000	3.0
133.06493	6.9
135.08073	2.0
136.83171	1.8
137.05972	100.0
138.06207	2.2
139.03856	4.7
143.04987	2.1
144.05692	6.0
145.04950	13.6
145.06442	5.5
147.04417	17.3
147.08014	6.4
149.05959	13.8
150.07620	7.0
151.03906	4.9
151.07544	6.3
157.04901	5.8
157.06277	2.4
159.08047	15.9
161.05972	55.2
161.09631	2.4
162.06789	14.7
163.06133	4.1
163.07536	8.9
165.05557	2.2
165.06982	4.3
167.07069	4.3
169.04965	2.8
172.05173	4.6
173.05925	3.5
174.06766	4.8
175.06087	2.3
175.07507	31.1
177.05453	2.4
178.07761	2.6
179.07011	10.8
179.08499	3.5
185.05989	3.4
187.07527	57.3
190.06213	2.5
191.07001	2.5
191.08542	2.6
193.06581	2.6
193.08575	4.6
194.07317	2.6
199.06004	2.8
199.07542	15.6
202.07759	3.2
205.06700	3.9
205.08589	26.5
207.08051	5.3
209.09702	2.3
211.06004	7.7
216.07761	4.0
217.08632	21.0
218.07281	3.3
219.08023	11.0
221.06041	2.3
221.09628	3.7
225.09207	3.7
229.07079	13.7
234.06816	3.6
235.07492	5.5
235.09618	7.7
237.09041	4.5
239.06981	1.9
241.06967	3.1
247.07857	15.2
248.08252	4.2
249.09077	10.4
249.14859	3.8
251.06921	4.5
251.10652	6.1
253.08649	3.1
259.07990	8.4
260.08105	2.1
261.09219	2.6
263.07166	3.4
263.10803	2.1
265.09042	20.1
266.09116	2.3
267.10190	3.7
273.11276	3.7
277.08691	9.2
278.09109	3.5
279.10104	7.0
283.09497	3.8
285.11130	7.2
289.08499	2.5
291.10004	4.5
294.08823	2.9
295.10168	20.7
297.11288	12.1
307.09650	3.1
309.11154	23.2
310.11887	8.1
311.12762	9.9
315.12073	3.2
321.11060	6.4
322.11923	5.1
323.12762	2.7
325.10608	5.5
327.12225	56.3
328.12805	2.9
335.12729	2.8
339.12299	3.5
340.13016	10.9
358.14127	6.6
459.17908	5.7
469.16312	2.7
471.17795	4.4
572.26385	19.6
572.33838	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96246	0.5
55.01839	0.6
64.09141	0.5
69.03433	0.7
69.34666	1.7
69.35069	1.3
69.80273	0.5
78.04687	0.9
79.05494	2.6
81.07066	0.6
83.82645	0.6
84.84118	0.5
85.02908	0.5
86.09695	0.7
91.05476	2.3
91.96661	0.5
94.04192	1.7
95.04971	1.0
96.70092	0.6
103.05469	7.0
105.07010	2.8
106.04172	0.7
107.04947	4.9
109.06477	0.9
115.05432	1.6
117.07016	1.3
119.04913	0.5
121.06516	1.1
122.03643	5.0
123.04434	2.5
123.08061	0.8
124.05212	1.4
127.02304	0.5
128.06192	0.9
129.06987	1.3
131.04924	14.7
131.08574	0.9
133.06480	4.8
135.08040	5.1
137.05971	100.0
138.06281	0.7
141.06996	1.1
143.04898	1.1
143.08557	1.1
145.06464	1.5
147.04401	1.2
147.08044	1.6
151.07542	8.3
151.31349	0.5
152.04700	1.0
157.06500	1.3
158.07275	0.6
159.07990	1.4
160.05171	0.6
161.05992	2.1
163.07538	35.2
165.09160	1.1
167.07031	59.9
171.08040	1.7
173.09621	1.0
174.06778	1.1
175.07545	5.8
177.09122	1.1
179.07076	2.1
181.08632	1.1
184.47603	0.5
187.07523	3.2
188.08272	0.8
189.09084	2.2
193.08636	4.5
201.09123	1.9
203.10652	5.3
205.08591	0.6
205.10333	0.7
207.10162	1.5
219.10153	4.3
220.10493	1.0
221.11615	2.0
233.09628	1.2
233.11842	1.6
251.12714	1.2
254.41214	0.5
261.09180	1.4
265.12259	1.4
293.11633	2.2
325.14362	14.5
357.16937	38.4
358.17139	0.6
375.17999	30.5
376.18527	0.8
457.98920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03064	0.6
59.12327	0.6
60.66349	0.5
65.03944	0.6
69.03416	1.3
69.74568	1.3
69.74943	1.4
70.06602	0.5
78.04697	0.8
79.05496	2.8
85.02900	6.2
86.09692	0.6
86.28799	0.6
91.05468	2.5
91.38355	0.6
94.04176	2.1
95.04988	1.0
97.02882	1.1
102.23260	0.6
103.05468	8.1
105.07035	3.4
106.04227	0.7
107.04951	5.1
109.06494	0.8
115.05474	1.4
117.07021	1.0
119.04942	0.8
120.22576	0.7
121.06455	1.1
122.03642	5.7
123.04420	2.2
123.08083	0.7
124.05201	1.8
125.06081	0.7
127.03933	1.0
127.38789	0.5
128.06223	0.8
131.04918	14.4
131.08546	1.0
133.06454	4.4
135.08020	4.3
137.05969	100.0
138.06284	1.5
143.04855	1.0
143.08549	1.5
144.05711	0.7
145.06441	1.9
147.04407	1.5
147.08046	2.1
149.05981	0.7
151.03995	0.6
151.07533	10.0
152.04681	1.3
153.05415	0.7
157.06473	1.4
159.08096	1.4
161.06006	3.1
163.07535	36.9
165.09154	1.7
167.07030	59.8
168.07382	0.8
169.06525	0.7
171.08023	1.9
173.09645	1.1
174.06735	1.2
175.07527	6.7
177.09212	1.0
179.07059	2.9
187.07562	3.0
188.08333	1.0
189.09103	2.1
193.08574	4.7
201.09071	2.0
203.06958	1.2
203.10649	6.2
207.10103	1.3
219.10251	2.8
220.10524	1.1
221.11656	1.0
233.09599	2.0
233.11694	1.1
251.12813	1.9
261.09036	0.8
265.12213	0.9
285.11133	0.8
293.11667	2.8
305.02444	0.7
325.14282	10.7
325.17886	0.7
326.14569	0.7
357.16943	30.6
358.17407	0.6
375.17990	27.4
436.06165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.6
69.07022	0.7
70.06588	1.1
77.35645	0.7
78.04693	0.9
79.05502	2.0
81.03395	0.9
85.02913	4.5
85.22362	0.8
86.09690	1.1
91.05483	2.7
94.04179	2.4
95.04939	1.1
97.02894	1.0
98.22681	1.7
103.05459	7.8
105.07038	2.2
107.04951	6.0
109.06557	1.4
115.05471	1.3
119.04953	1.7
121.06493	1.2
122.03660	5.5
122.86360	0.9
123.04423	2.4
123.08049	1.2
124.05218	1.3
128.06242	1.6
131.04944	13.0
131.08600	1.0
133.06512	4.4
135.08041	4.1
137.05974	100.0
138.06294	0.9
143.04868	1.1
145.05008	1.3
145.06465	1.5
147.04408	1.6
147.08011	2.1
149.05951	1.4
151.07547	8.6
157.06503	1.8
158.07346	1.3
161.06024	5.1
163.07530	34.7
165.09137	0.9
167.07031	57.6
171.08061	1.8
174.06757	1.1
175.07545	8.3
177.09157	1.6
179.07030	2.7
181.08548	0.8
187.07532	3.5
188.08380	1.1
189.09103	3.2
193.08604	4.1
201.09143	2.2
203.07045	1.2
203.10681	4.5
207.10106	1.7
219.10204	4.5
220.10490	2.6
221.10968	1.3
233.09735	1.8
233.11674	1.6
251.12668	1.0
261.09006	1.1
265.12415	1.0
285.11304	0.9
288.66544	0.7
293.11700	2.3
325.10828	1.5
325.14301	12.7
327.12079	1.1
357.16931	31.9
358.17245	0.7
375.13162	1.6
375.17996	28.8
376.18329	1.0
550.72772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03122	1.2
53.03948	1.5
53.75018	0.9
55.01868	1.9
55.05513	10.9
57.03433	28.8
61.02923	9.9
67.05493	4.0
69.03425	42.6
69.03804	2.0
69.07064	52.7
70.06577	1.8
71.01349	4.0
71.04996	1.4
73.02912	63.1
77.10360	0.9
79.05485	3.8
81.03413	7.9
81.07053	4.6
83.04978	2.5
83.08612	2.4
85.02897	66.7
87.04451	4.4
91.03951	1.5
91.05481	3.4
93.07029	2.5
95.04944	1.9
95.08607	2.0
97.02886	100.0
97.06480	1.2
97.10168	2.7
98.03228	1.1
98.06063	1.3
99.04450	2.8
103.03982	2.0
103.05437	2.7
104.05751	1.0
105.07059	2.5
107.08567	2.0
109.02861	5.4
109.10167	2.5
111.11715	31.8
115.03923	62.4
119.04890	1.3
119.08613	1.7
120.08092	4.8
121.06455	1.7
121.08463	2.0
121.10152	1.2
123.04365	1.1
123.11649	1.0
125.09644	2.6
127.03911	19.3
127.99670	1.0
131.04895	2.9
131.08612	1.0
132.05260	1.6
133.03374	1.2
133.04964	18.8
133.10091	1.4
134.08138	4.3
135.11693	1.2
137.05942	3.3
139.03870	2.1
142.62581	1.2
145.04959	24.5
151.07573	1.2
153.12808	1.3
157.04883	2.0
159.11687	1.0
161.09727	1.1
163.06006	17.0
165.08942	1.3
177.09142	1.3
181.04895	1.2
187.07666	1.1
199.06137	1.3
207.13831	1.6
211.06003	11.8
217.06920	1.2
223.06020	6.1
225.14832	1.8
229.07053	9.3
241.07031	8.5
243.15916	3.3
243.19601	1.4
247.08157	2.0
249.14955	2.1
255.15907	1.7
259.08087	14.4
265.09198	3.4
273.17081	1.5
295.10236	32.5
348.52478	1.0
355.15659	1.4
494.52478	1.0
539.58771	1.1
554.25220	1.2
554.33112	2.3
572.26019	4.1
572.34473	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.3
59.78904	2.3
62.28207	2.5
63.53158	2.4
66.50344	2.4
67.05497	12.8
69.20608	17.0
79.05487	9.3
81.07054	14.6
86.09700	100.0
91.05475	8.6
93.07040	9.6
95.08610	8.0
105.07027	6.4
107.08595	4.1
109.10166	2.6
111.61449	2.8
119.08583	6.9
121.10166	6.3
131.08629	2.6
132.10188	52.1
133.10078	3.5
143.08598	3.1
153.61658	2.6
159.11787	3.1
171.11632	2.8
185.13229	4.2
187.14815	4.1
326.82065	2.6
423.36234	3.3
560.45160	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05505	4.3
57.07067	2.2
57.63642	0.6
65.03930	1.3
67.05159	1.3
67.05503	14.7
69.07056	3.2
70.74429	1.0
71.08636	1.0
73.80132	0.8
79.05500	11.7
81.07056	14.3
83.08612	2.2
85.06546	1.2
86.09704	100.0
88.11285	0.9
91.05487	14.7
93.07051	12.0
95.04957	2.1
95.08601	9.1
96.70906	0.8
97.06548	0.9
97.10202	1.1
105.07042	7.8
107.08596	6.4
109.10133	3.2
117.06989	3.6
119.08564	7.8
121.10141	9.0
123.11730	1.0
125.09587	0.7
129.07039	2.4
131.08566	7.5
132.10199	41.4
133.10120	7.2
135.11694	4.3
137.18915	0.7
141.06920	0.8
143.08562	2.5
145.10138	5.9
147.11700	3.8
149.09596	1.2
149.13249	2.1
155.08562	0.8
157.10112	2.2
159.11684	3.7
161.13272	2.1
163.11121	1.6
171.11719	2.5
173.13248	1.8
175.14816	2.1
181.18474	0.6
183.11749	1.0
185.13278	2.6
187.14845	1.3
189.12744	1.0
197.13278	0.9
199.14804	1.3
259.24313	1.1
353.82193	0.7
405.35168	0.9
423.36432	1.6
424.08282	0.8
554.44696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03947	4.0
55.01868	1.6
57.03437	1.6
60.44675	0.4
61.02927	1.4
67.05492	0.5
69.03424	14.6
70.30870	0.4
71.01332	0.4
71.04982	1.0
73.02903	2.4
74.50962	0.4
77.03926	0.7
79.05486	0.5
81.03413	20.0
81.07057	0.6
85.02902	11.4
86.09695	0.5
87.04459	0.5
91.05476	2.0
95.01311	1.3
97.02893	9.7
97.03487	0.7
97.06523	0.5
99.04448	3.9
100.11284	0.7
103.05473	4.3
105.07008	1.2
109.02876	14.5
115.04208	0.7
115.04631	1.0
115.05450	25.8
117.07016	53.6
118.07325	0.5
122.03712	0.5
125.02357	2.1
125.09602	0.4
127.03907	12.2
127.05354	0.7
128.06218	16.2
129.06998	100.0
130.07304	1.3
131.04932	9.6
133.06479	1.7
135.04407	10.1
137.02309	0.7
142.04163	0.8
143.04919	23.1
143.05956	0.9
145.05037	1.8
145.06476	22.9
147.04417	0.4
154.12306	0.5
155.04881	4.0
155.06044	4.9
157.06479	40.5
158.06795	0.7
159.04413	14.0
161.05962	10.4
161.07307	0.5
169.05092	0.5
171.04379	28.9
171.05554	2.2
172.04773	0.5
173.05974	26.2
174.06604	0.8
175.03877	0.5
175.07608	0.8
183.04364	0.9
185.05966	9.3
187.03903	6.8
187.05995	8.4
187.07535	2.2
188.04607	0.9
189.05443	3.9
199.03879	21.2
200.04427	0.8
201.05457	80.7
202.05769	1.6
203.03467	2.1
205.07069	1.2
210.14938	0.5
217.04929	7.3
219.06326	2.4
229.04936	25.2
230.05249	0.8
231.06517	46.7
232.06879	1.1
242.08186	1.3
247.05997	70.8
248.06274	1.4
275.07074	0.5
330.92157	0.4
335.21625	0.4
398.71939	0.4
403.75995	0.4
411.10562	1.1
427.23230	0.5
573.16327	0.7
573.28662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58318	0.9
57.03436	2.0
61.02921	1.2
69.03430	4.1
69.49756	3.2
70.89945	0.8
77.54322	0.8
81.03408	1.9
85.02905	10.0
97.02899	3.0
98.22592	1.8
99.04330	1.1
109.02888	1.4
127.03946	1.4
145.04933	1.0
165.06972	1.4
204.05698	1.0
205.06564	1.1
221.06018	5.6
233.05922	1.6
235.07602	3.5
248.08377	1.4
249.05424	5.7
251.07170	3.4
259.04025	1.5
261.05356	1.9
262.06262	2.1
263.06961	7.9
264.07761	13.5
265.08490	1.9
266.09616	1.2
275.07071	2.6
276.07764	9.0
277.04965	5.0
277.08246	1.6
278.06363	1.2
278.09290	6.8
279.06567	6.5
279.10037	1.9
287.03448	1.1
289.04913	3.2
290.05728	4.6
291.06665	6.5
292.07214	13.5
293.07925	5.1
294.08862	4.7
301.47339	1.1
303.06567	1.6
304.07333	8.5
305.04440	7.5
305.08087	9.3
306.08905	5.0
307.05966	7.8
307.09656	3.3
309.08072	1.4
309.11102	6.5
314.42712	1.1
315.02875	2.5
318.05252	1.6
319.06119	3.2
319.09586	1.2
320.06796	32.4
320.10599	1.7
321.07541	14.1
322.08264	7.4
332.06854	1.5
333.03983	5.3
333.07620	2.6
334.08447	5.3
335.09097	68.1
336.06238	1.1
336.09814	19.7
337.07056	3.1
337.10684	32.7
337.14789	2.1
338.11160	1.5
346.04858	1.6
347.05560	2.0
348.06274	23.2
349.06976	2.7
350.07837	3.6
350.11749	1.3
351.04865	1.6
351.08502	5.9
352.09338	13.7
361.07025	5.3
362.07788	2.6
363.08618	73.7
364.09082	2.7
365.06631	1.2
366.07031	1.3
366.11093	7.1
367.11783	44.2
378.07309	6.1
379.08179	5.3
380.08936	3.0
381.09677	69.3
382.10095	4.1
385.47284	1.1
388.46225	1.1
393.09659	33.5
394.10257	3.4
396.08319	2.7
411.10715	100.0
412.10956	3.2
441.85257	1.1
474.63989	1.1
555.14880	2.1
573.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.00297	0.3
53.03933	1.2
55.01857	0.6
55.05491	0.3
68.99792	0.3
69.33890	0.8
69.34298	0.8
79.01854	3.1
81.03394	0.5
83.04935	0.4
96.71407	0.3
97.06541	0.4
107.01314	6.6
109.02874	3.5
117.06998	0.4
128.04176	0.3
137.02333	70.4
138.02690	0.8
143.08493	0.3
160.66203	0.3
165.06946	0.3
172.05215	1.7
178.07841	0.3
186.06837	0.5
187.07416	0.5
191.08582	0.5
195.08064	0.7
199.07541	0.7
207.07994	0.5
209.09543	0.3
210.06808	0.3
214.06216	0.5
215.07098	1.2
219.08087	0.6
223.07533	1.1
229.08607	2.7
230.09352	6.8
231.06516	4.0
234.06812	0.8
235.07512	2.6
235.09569	0.5
236.08360	0.6
237.05400	0.4
237.09105	0.9
238.09807	0.5
239.06964	0.6
241.04961	0.4
243.06335	0.4
245.08104	3.9
246.06795	0.8
247.07516	1.0
248.08287	0.5
249.05424	0.5
249.09048	1.7
250.06232	0.5
250.09865	1.7
251.07036	2.7
252.07590	0.6
253.08656	0.6
257.08109	1.7
259.06036	0.5
261.05386	0.3
262.06235	0.7
263.06995	3.4
264.07739	1.1
265.08423	0.8
266.09421	1.2
267.06351	0.4
267.10287	0.6
273.07556	0.6
274.08365	12.5
275.06622	0.4
276.07809	0.6
277.05634	0.5
277.08594	3.1
278.05853	0.7
278.09326	2.0
279.06543	2.6
279.09961	1.0
281.08252	0.6
281.11533	0.4
282.08997	0.4
283.09662	1.2
290.05783	0.5
291.06580	2.6
292.03912	0.3
292.07294	1.1
293.08008	1.6
294.05215	0.8
294.08914	1.5
303.06506	0.4
304.07181	0.7
305.04626	0.4
305.07962	3.9
306.05212	0.8
306.08813	11.3
307.06027	3.2
307.09576	1.1
309.07773	0.4
309.11160	5.2
311.08844	0.5
318.08871	0.8
319.06100	0.9
319.09677	0.7
320.06842	1.1
321.07483	3.1
322.08362	4.2
323.08954	0.4
325.10666	1.3
334.08380	1.0
335.05573	0.6
335.08939	1.8
336.09854	5.2
337.06873	0.5
337.10699	5.1
348.06110	0.4
349.07086	0.9
349.10980	0.4
350.07831	1.0
351.08630	1.1
352.09387	1.8
353.10178	2.9
361.06845	0.7
362.07889	1.0
363.08655	2.2
367.11691	2.5
376.09396	0.6
379.08029	0.9
381.09576	2.3
393.09879	1.0
411.10715	100.0
412.10986	4.2
435.10648	0.8
452.46851	0.3
573.27264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
54.46914	0.9
55.05520	1.0
55.94913	0.9
56.96567	9.8
65.24073	1.0
67.05522	1.5
69.91116	2.1
69.91513	2.0
77.03963	1.2
78.04727	1.9
79.05475	6.5
79.31893	1.0
81.07047	1.9
91.05491	2.4
93.07025	0.9
95.04983	4.2
96.92238	1.1
98.22739	2.1
98.91942	5.1
98.97581	55.8
100.11201	1.3
103.05462	4.7
105.03349	2.1
105.04531	2.0
105.07037	4.6
106.04179	1.3
107.04967	4.2
112.01021	1.1
115.05459	3.6
116.97784	2.0
116.98617	36.4
117.07008	2.9
119.04970	1.1
123.04431	2.8
124.05198	1.6
124.88262	1.2
128.06242	3.6
129.06990	5.3
131.04939	8.5
131.08571	3.1
133.06493	3.2
134.99670	11.2
135.04413	100.0
136.04739	2.0
137.05981	4.9
140.00201	3.0
141.57796	1.0
143.04889	2.1
143.08553	3.5
144.05675	1.3
145.06432	5.5
145.10045	1.1
149.05956	7.8
151.07562	3.2
157.06541	4.4
158.01274	1.1
159.08060	3.3
159.65242	1.0
161.05965	5.7
163.07507	7.1
167.07040	50.5
171.08083	3.7
172.05194	1.6
173.05989	6.3
173.09677	1.2
175.07561	3.5
179.00175	5.9
181.08739	1.1
184.00444	1.3
185.06003	4.6
187.07550	11.8
191.00125	1.2
192.00957	4.1
193.01738	1.1
193.08632	2.9
197.01193	6.1
198.01979	1.3
199.98279	1.1
201.09103	8.3
205.01665	1.5
209.01256	4.3
210.02031	4.6
211.02852	3.6
217.01765	1.3
219.10251	3.4
222.02000	2.3
223.02808	2.1
227.02240	7.7
228.03052	3.1
229.03894	1.3
231.03107	1.2
233.09563	2.3
233.11734	2.7
234.02065	1.4
235.02820	4.4
238.60612	1.1
240.03104	2.2
241.04028	1.4
245.03503	1.4
247.02856	1.9
248.03592	2.4
249.04475	5.7
250.01569	3.6
251.02350	1.6
252.03171	2.3
253.03929	2.6
254.04710	1.5
261.04419	4.2
263.02350	1.2
263.05978	2.2
263.10583	1.4
264.03052	2.5
265.03821	24.1
266.04510	2.5
268.02670	3.4
271.05051	1.5
273.04422	1.6
275.05893	1.5
277.03824	3.0
278.04617	4.7
279.05444	9.5
281.06808	1.1
283.01776	2.2
283.04886	40.3
287.05786	2.0
289.03845	1.2
291.05438	2.0
291.10172	1.3
292.06036	1.8
293.03949	1.3
293.07059	3.6
296.05737	2.9
297.06430	3.3
301.05884	2.3
303.05710	2.7
305.06958	2.2
306.06573	5.0
317.06796	1.4
318.07745	1.8
320.06046	1.2
321.06363	4.1
323.12869	4.5
325.14514	1.3
326.04880	1.4
336.08762	3.7
344.05652	4.6
355.15308	6.4
356.09354	1.2
365.07108	1.5
366.07748	3.2
379.10483	1.2
381.10138	3.5
383.08075	1.7
384.08963	2.6
391.10617	1.2
396.08673	7.3
399.11618	2.2
402.09753	1.6
411.11124	10.1
414.09891	14.8
422.10477	1.8
423.11090	2.8
425.09567	1.3
429.12204	16.4
432.10941	4.6
437.11234	1.3
440.74564	1.2
441.12250	1.3
447.13232	5.9
452.13794	1.5
453.12149	21.4
471.13303	37.5
489.14160	6.0
494.14764	1.1
512.15826	1.9
513.14258	48.8
514.14764	2.6
531.15381	17.7
554.16895	3.0
573.07288	2.8
573.16370	57.7
574.16681	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70927	0.2
55.21418	0.3
56.96549	0.7
65.03931	0.4
69.04548	18.9
69.36317	0.7
69.36713	0.6
70.06585	0.3
79.05491	1.2
80.06258	0.9
89.03886	0.4
90.04662	0.7
91.05475	3.2
93.07011	0.4
95.04940	0.7
98.97568	5.2
105.03394	0.5
105.07023	0.3
106.00941	0.2
106.04147	0.7
107.04945	7.0
107.08546	0.3
108.05148	0.3
108.05737	3.1
116.98618	2.8
117.06963	0.5
118.04137	0.5
121.06496	1.2
129.06960	0.6
131.04926	0.6
131.08643	0.3
133.06467	0.3
134.99622	1.1
135.04419	2.2
135.08037	0.8
136.05190	4.7
137.05949	0.9
138.06718	0.3
144.05656	0.3
145.06488	1.4
146.07280	0.7
147.08040	0.8
147.18350	0.2
150.06750	1.2
151.07526	100.0
152.07822	1.3
153.09125	0.4
157.06468	0.9
158.07234	0.6
159.08034	0.9
160.08826	1.5
161.05948	0.6
164.08319	0.4
165.09108	3.9
171.08005	0.7
172.08794	1.7
173.05977	1.1
173.09567	0.4
174.06737	0.7
174.10513	0.3
175.07497	0.7
176.08305	1.2
177.09097	2.7
179.00082	0.6
179.10588	0.5
186.10411	1.7
187.07417	0.6
188.08298	4.6
189.09077	2.4
191.10641	2.2
197.01151	0.9
201.09045	0.7
202.09914	1.9
203.10649	8.7
205.12180	0.4
217.12215	3.8
235.02730	2.9
236.03508	0.8
247.02753	0.4
249.04439	0.3
253.03828	2.8
254.04507	1.0
266.04410	0.2
287.06009	0.3
305.06931	0.5
321.09912	0.6
323.16077	0.4
327.76788	0.3
340.16681	2.5
348.06573	0.5
355.19165	1.8
363.11069	0.5
366.07816	0.3
381.10080	0.6
399.11234	0.3
423.11111	2.6
432.66904	0.3
438.13397	0.8
441.12167	1.4
453.15811	2.5
456.14587	0.9
471.16891	6.3
472.16986	0.4
513.17920	9.8
514.18481	0.3
558.17908	0.4
573.20215	73.9
574.20416	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54756	1.0
61.67743	0.9
64.65843	1.0
69.04561	19.4
71.47034	1.0
91.05500	3.0
98.97584	7.7
106.04144	1.0
107.04941	8.0
108.05755	4.3
111.49591	0.9
116.98653	3.4
121.06554	1.2
131.23044	0.9
134.99658	1.1
135.04434	2.4
136.05217	4.1
147.08076	1.8
150.06813	1.0
151.07550	100.0
158.07291	0.9
159.07950	1.1
160.08827	1.1
161.06042	1.2
163.07545	1.0
165.09172	3.6
172.08794	1.5
173.06081	1.4
177.09111	2.4
179.00304	1.0
186.10558	1.2
186.12161	1.1
188.08333	4.9
189.09149	2.9
191.10660	3.0
202.09886	2.5
203.10655	8.7
217.12279	5.0
235.02878	3.5
236.03659	1.6
253.03862	3.1
306.57352	1.0
340.16870	3.1
355.19315	1.3
423.11240	2.1
438.13647	1.3
441.12149	1.8
453.16028	3.1
471.16861	7.0
513.17993	11.7
558.17963	1.7
573.20288	91.7
574.20764	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01866	0.4
67.05509	2.3
69.03425	3.1
69.07068	28.4
69.80476	1.1
70.06590	3.4
71.04988	1.1
72.08156	1.5
79.05488	1.4
81.03421	4.5
81.07049	0.5
84.08092	0.3
85.02909	2.7
85.06541	7.4
86.09707	1.6
91.05473	1.1
93.07037	1.4
95.04961	2.1
95.08607	0.5
97.02879	4.0
97.06527	2.4
99.04443	1.2
104.80637	0.4
105.07023	1.3
107.04946	0.5
107.08591	1.9
108.04501	0.5
109.02883	12.5
111.04420	0.8
112.07607	6.4
117.07072	0.4
119.08579	1.8
121.06516	1.0
121.10128	1.5
122.05991	0.4
123.04424	2.4
127.03025	0.7
127.03917	11.3
129.07004	0.5
131.08583	5.6
133.06491	0.5
135.11717	0.5
137.05960	0.6
137.09593	0.5
140.07063	49.6
141.05473	0.8
141.07397	0.5
145.04939	1.2
145.10144	1.8
149.09631	4.9
151.07529	1.3
153.05467	0.9
163.11154	2.2
165.09142	0.7
167.07062	0.7
167.10663	2.4
168.06561	100.0
169.06874	1.7
171.43010	0.4
173.09639	0.8
175.07382	0.4
186.07625	14.2
191.10641	5.7
209.11728	7.6
227.12756	20.1
228.08633	0.6
233.22067	0.4
240.08524	0.5
280.66907	0.4
294.09781	3.9
295.44254	0.4
312.10739	8.0
317.13855	0.6
330.11862	13.9
331.12085	0.5
391.95471	0.5
487.14008	0.4
573.19025	0.7
573.27484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
57.03444	4.6
57.07075	25.3
67.05506	6.6
69.07076	4.2
69.54794	1.5
69.55209	2.2
71.08626	17.6
79.05512	1.3
81.03431	4.0
81.07057	9.2
82.43378	0.7
83.08614	5.9
85.10183	11.2
93.07065	1.3
95.04978	1.0
95.08601	11.2
97.06565	0.9
97.10181	3.1
98.23413	1.0
98.98463	24.6
99.04418	0.9
102.86805	0.7
103.07616	0.7
109.02883	2.3
109.10168	4.7
123.11696	2.0
124.93752	1.4
125.13272	0.9
137.13174	0.8
155.01042	23.6
156.96437	1.5
159.23468	0.7
168.98698	0.8
173.02101	1.9
181.09669	0.7
185.75111	0.7
202.60674	0.7
215.14992	0.7
239.23672	5.0
261.03616	1.8
313.27353	100.0
314.27713	3.0
317.06244	3.6
331.28488	1.1
335.07388	2.7
393.24121	5.2
401.28900	3.1
424.74875	0.7
491.21298	4.2
537.28156	3.6
573.33673	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.33720	0.6
54.26852	0.5
55.05500	3.1
57.03439	4.7
57.07076	26.4
58.07410	0.5
60.09146	0.5
67.05497	7.4
69.07069	4.7
69.80437	1.7
71.04976	0.5
71.08629	19.2
75.04459	0.5
79.05491	1.2
81.03427	3.5
81.07059	8.5
83.08617	5.5
85.02888	1.0
85.10176	10.4
89.06005	0.9
93.07025	0.6
95.08607	12.6
97.10177	3.3
98.98463	26.7
100.37254	0.5
109.02892	3.3
109.10155	6.5
111.08040	0.6
111.11688	0.6
121.10105	0.7
123.11688	2.3
125.13277	0.5
127.03904	1.0
137.13258	1.0
151.14755	0.5
155.01036	22.8
170.58665	0.4
173.02116	1.1
239.23685	5.2
261.03760	1.2
313.27353	100.0
314.27744	4.0
317.06415	2.9
331.28503	1.1
335.07205	3.0
393.23849	4.4
401.28836	2.2
537.28210	2.8
573.22125	2.1
573.33514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66547	0.6
55.01857	0.6
55.05513	3.3
56.08867	0.4
57.03420	1.6
57.06819	0.7
57.07074	10.7
59.04992	0.7
66.07265	0.5
67.05499	9.1
69.03431	5.3
69.06701	0.7
69.07059	4.9
69.89249	1.2
69.89576	0.5
71.04987	12.1
71.08629	7.1
73.06570	0.5
76.13260	0.5
77.49425	0.5
77.74900	0.5
79.05477	3.0
81.03423	1.2
81.07055	9.3
83.04970	1.4
83.08618	5.4
85.06534	2.2
85.10185	3.9
90.86142	0.5
91.05482	4.2
93.07037	11.4
95.04955	1.8
95.08020	1.0
95.08604	15.4
97.06528	2.5
97.10152	1.9
98.22713	0.8
98.98459	8.9
99.04447	1.6
99.08086	7.4
105.07026	4.9
107.08597	8.1
109.06519	2.0
109.10151	21.2
111.08076	24.7
111.11710	0.6
113.09634	2.1
115.05395	0.8
117.07005	1.6
119.08559	6.1
121.10155	3.1
123.08038	2.2
123.11696	1.6
125.09613	8.8
127.07555	4.6
127.11185	18.9
129.06941	0.8
131.08540	2.8
133.10120	4.2
135.08052	1.3
135.11688	1.8
137.09633	6.1
137.13266	0.6
139.11174	3.0
142.07744	0.9
143.08527	1.7
143.10684	1.9
145.10115	5.1
147.07945	0.6
147.11681	2.2
149.09587	1.1
149.13222	1.4
151.11171	2.7
153.09146	2.9
155.01045	8.2
155.10658	100.0
156.09315	0.9
156.11006	1.3
156.96413	1.0
157.10123	5.8
159.11700	3.3
161.09589	1.0
161.13245	1.5
163.11150	1.1
165.12807	1.0
167.08624	0.7
169.10115	2.2
171.11649	2.5
173.09576	0.9
173.13261	3.7
175.14861	1.2
181.10107	1.2
181.12164	1.1
182.10933	1.2
183.11684	2.3
183.13734	2.5
185.11749	1.0
185.13260	2.2
187.11183	0.9
187.14827	1.5
189.16277	0.6
191.14249	2.5
193.15816	1.5
195.11687	1.3
196.12505	1.2
197.13232	5.3
199.14871	2.4
201.12799	0.7
203.14299	0.8
209.13268	2.4
209.15352	4.9
211.14804	4.7
211.16853	1.3
215.14302	1.5
219.88922	0.5
223.14803	1.5
225.16364	1.4
227.17876	0.9
229.15758	0.6
239.17978	0.8
239.23634	1.4
243.17473	1.6
245.19084	1.2
249.16435	0.8
251.17825	1.0
253.19444	1.2
263.17719	0.8
265.19641	2.6
267.21066	0.8
271.20639	1.4
279.21057	0.7
281.19040	0.7
281.22672	0.7
283.20520	4.7
285.22180	1.0
291.20889	0.6
295.20682	0.7
297.22122	2.0
299.23627	0.7
305.21143	0.9
309.22049	0.7
311.23557	0.7
313.27353	37.4
314.27753	1.8
317.06271	1.1
329.24777	0.8
343.22705	5.0
349.25168	1.5
357.24207	3.4
367.26501	1.4
393.23962	2.2
401.28589	1.0
417.31750	0.8
435.32553	4.3
453.33603	7.6
459.19351	0.8
491.21106	2.5
495.34500	3.5
513.35651	4.4
537.27911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	48.4
57.03431	3.6
57.07069	15.7
62.08179	2.3
67.05504	51.2
69.07066	94.6
71.04985	5.3
71.08638	5.7
71.46637	2.7
71.47000	2.2
79.05484	24.5
81.07052	86.2
83.04983	5.0
83.08617	60.5
85.06539	6.5
85.10174	3.9
87.04470	10.8
87.27949	2.3
91.05476	20.3
93.07048	35.0
95.05025	2.3
95.08604	78.3
95.09211	4.4
97.06518	14.8
97.10165	63.9
99.08106	6.9
105.07030	22.4
107.08572	24.5
109.06537	4.0
109.10149	37.5
111.08091	7.3
111.11720	29.8
113.09673	3.4
115.07553	3.6
119.08581	27.2
121.10139	48.5
123.08088	5.0
123.11708	23.0
125.09661	6.2
125.13235	13.5
129.09081	4.8
130.32813	2.2
133.10126	29.4
135.11688	39.6
137.09653	7.7
137.13255	10.7
139.11153	16.1
143.10619	4.0
145.10091	2.2
147.11682	21.1
149.13261	6.2
151.11200	9.0
151.14780	11.7
153.12822	11.4
155.10742	2.8
157.12222	5.1
159.88477	2.5
161.13268	21.2
165.12782	12.6
169.12230	5.5
171.13799	8.7
175.14890	7.0
177.16374	2.8
179.14308	9.4
183.13892	2.6
193.19539	4.6
197.15269	3.0
205.65833	2.4
216.74165	2.5
217.19518	67.1
235.20554	100.0
253.21616	97.7
256.26306	11.4
260.06619	2.8
267.23172	12.9
271.22665	31.7
285.24203	72.8
300.28958	19.8
426.28146	2.6
483.16910	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80682	0.7
72.04502	0.6
74.02442	2.4
84.04486	0.5
85.02887	0.6
86.97417	0.3
91.05460	0.4
93.05785	1.1
100.03993	0.7
109.06506	0.5
118.05002	0.7
121.06495	1.2
124.07573	0.5
136.07570	100.0
137.05969	0.4
137.07971	1.4
138.09149	0.3
139.07483	0.5
142.56314	0.3
146.04503	0.8
146.05981	0.4
148.07578	1.2
152.06967	0.3
160.07632	0.6
162.05496	1.7
162.09123	1.5
164.07079	2.8
172.07582	1.0
174.09180	0.8
176.06987	0.3
184.59132	0.3
188.07030	0.5
189.10257	2.0
190.08650	1.7
192.06538	2.4
199.08696	1.2
200.07088	3.0
202.08737	0.5
214.00304	0.3
217.09717	4.5
217.65154	0.3
218.08150	1.2
229.09819	0.4
235.10753	2.1
245.09251	0.5
247.52156	0.3
263.10260	6.4
264.08667	1.7
265.22849	0.3
281.11328	15.7
282.11710	0.4
345.10852	0.6
363.11819	1.0
390.12894	0.4
408.13889	2.4
426.15060	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
51.39389	0.7
53.03944	1.0
55.01872	1.8
55.05510	2.4
57.03429	1.5
58.02484	0.7
60.43369	0.9
66.75024	0.9
67.05495	3.1
69.03444	0.9
69.07066	4.4
72.36579	0.7
77.03930	1.9
79.05495	11.3
81.07046	2.3
83.04988	1.0
83.12434	0.8
91.05463	3.3
93.07025	1.3
95.04945	4.2
97.06537	44.0
98.22816	2.8
98.23504	1.8
99.08101	7.2
103.05476	2.1
105.03407	1.1
105.04514	1.8
105.07023	3.1
107.04957	1.7
109.10175	0.8
110.03655	0.7
111.04559	0.7
115.05443	1.7
117.07045	1.0
119.04946	1.9
119.08594	0.7
121.06511	1.4
122.32510	0.7
123.04437	1.6
123.08073	0.8
124.14597	0.7
128.06206	2.3
129.07007	2.9
131.04968	4.8
131.08533	1.5
133.06503	2.0
135.04419	100.0
136.04726	1.3
137.05954	2.3
138.03120	1.3
143.04948	1.4
143.08571	3.2
145.06493	3.6
147.04407	2.1
147.07986	0.8
149.05988	10.0
151.07556	1.6
153.04240	1.0
153.05481	17.6
157.06544	1.6
158.07330	1.0
159.08093	1.7
160.05188	1.1
161.05978	8.1
163.07561	2.3
165.05481	1.9
167.07053	4.2
171.08046	3.9
172.05211	0.7
173.05991	7.0
173.09543	0.9
174.06844	0.7
175.07558	4.3
177.05418	1.6
177.09065	0.7
179.06982	3.6
185.05986	3.8
187.07542	10.3
189.09140	2.5
191.07095	1.0
193.08572	0.8
199.07568	2.1
201.09108	12.1
203.07024	1.9
204.07809	1.1
205.08572	3.8
215.10654	1.2
217.08563	0.8
219.10199	1.3
221.11595	1.3
227.10660	0.9
227.12796	0.8
231.08025	0.4
231.10158	12.6
245.11743	1.7
249.11246	8.5
257.11749	1.6
271.13382	1.3
276.20425	1.1
283.13293	2.2
293.11603	0.8
297.14972	2.0
301.14401	5.7
309.11389	1.1
311.12946	0.8
315.15921	3.2
321.11197	1.1
323.12784	0.8
337.14362	1.3
339.12247	7.9
340.12759	0.8
341.13797	6.3
351.12378	2.8
361.14337	0.8
385.21771	0.8
391.18884	1.0
393.16971	29.1
395.18454	1.0
419.18631	9.2
437.19617	26.8
455.20593	2.6
479.20670	1.8
539.22803	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01866	2.1
55.05502	1.6
57.03433	17.4
59.04985	1.0
61.02631	1.0
61.02923	11.9
62.97546	0.5
69.03423	27.5
69.07034	1.2
70.06576	1.4
71.01346	2.6
71.04993	3.6
72.08158	0.8
73.02913	35.6
81.03412	6.9
83.01284	0.6
83.08617	1.9
85.02899	100.0
86.09695	1.6
87.04458	2.8
88.10195	0.6
91.03955	5.8
93.07047	0.6
95.04948	0.6
97.02886	50.1
99.04455	4.4
101.02375	0.8
101.09673	0.7
103.03961	1.5
105.01823	0.9
109.02868	8.1
115.03924	32.1
119.08647	0.6
123.04520	0.8
127.03908	31.8
130.01295	0.5
133.04961	10.1
137.05960	0.7
139.07544	2.0
145.04947	58.7
151.07561	1.1
163.06007	31.0
197.11684	0.9
209.11775	1.2
217.07300	0.6
223.06009	3.2
227.12776	1.0
233.13800	0.9
241.06981	6.3
245.13924	2.5
258.23819	0.6
259.08124	6.4
263.14908	5.2
277.09116	0.7
289.09216	1.7
295.10217	13.2
325.11255	12.7
410.45407	0.6
574.26556	0.8
585.10132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70361	0.9
55.05502	5.1
65.03941	1.4
67.05499	15.0
69.07063	4.4
69.13140	5.7
78.43861	1.0
79.05495	9.8
79.82716	1.0
81.07050	13.1
83.08591	3.3
85.06557	1.9
86.09702	100.0
87.04459	2.4
87.10036	1.0
88.11280	1.9
91.05479	10.0
93.07029	10.1
95.04933	1.4
95.08593	13.2
97.10197	1.3
98.23522	2.2
105.07034	7.1
107.08588	5.4
109.10149	4.4
117.07009	2.8
119.08553	5.9
120.57345	0.8
121.10159	7.9
123.11674	1.2
131.08569	4.3
132.10197	51.9
133.10144	3.9
135.11687	5.7
143.08540	1.2
145.10155	4.7
147.11678	3.1
149.13271	1.9
157.10086	1.1
159.11693	3.3
161.13234	2.3
163.11183	2.4
169.10341	1.0
173.13133	1.1
177.12759	2.4
185.13332	0.9
199.14815	1.5
341.32050	1.5
407.36575	1.6
425.37646	3.0
441.84381	1.0
490.98029	1.3
528.47021	1.5
556.46777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19790	0.1
55.01901	0.3
65.03943	0.1
67.34820	0.1
68.99813	0.2
70.06580	0.4
70.39208	0.2
78.31598	0.1
80.44261	0.1
84.02238	0.1
84.04483	0.1
85.02923	0.1
86.09721	0.3
97.02921	0.1
98.23428	0.1
105.03394	0.3
107.04982	0.2
116.07124	0.2
121.02871	4.7
123.00861	0.5
126.11323	0.1
135.04436	0.2
137.02336	0.3
141.01843	1.8
147.04434	0.7
149.02344	0.2
162.09222	0.1
165.01848	2.0
169.06451	0.3
171.04350	0.1
177.01941	0.1
183.02911	1.2
183.04408	0.2
197.05965	0.9
197.60445	0.1
199.44205	0.1
201.05486	0.5
215.07059	0.2
225.05600	0.8
243.06519	1.5
245.04630	0.1
253.04932	0.2
270.59961	0.2
271.05984	0.6
299.05511	100.0
300.05853	2.2
414.11816	0.1
461.10803	7.5
538.38605	0.2
548.22552	0.1
576.21478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03932	0.8
53.73752	0.5
55.01857	0.9
63.24506	0.6
79.01847	1.6
79.07751	0.5
85.02876	0.7
93.07018	0.6
97.02902	0.8
105.06986	0.6
107.01306	4.1
109.02867	2.2
109.10081	0.5
114.12831	0.7
123.68996	0.5
129.07001	0.6
137.02351	43.6
138.03073	0.8
175.07556	0.7
195.08157	0.8
199.07568	1.0
203.07076	0.9
207.06398	0.7
221.05989	1.3
221.08029	0.8
224.08273	1.1
227.56810	0.5
231.06531	14.8
234.06700	0.6
235.07600	1.5
236.08316	2.3
237.05519	0.8
239.10725	1.5
249.05505	1.3
250.06366	0.8
251.07040	2.0
252.07866	1.6
259.05991	6.3
260.06677	1.5
263.07025	2.1
264.07788	7.2
265.05161	0.7
265.08536	1.6
267.10074	2.7
277.08658	1.0
279.06631	2.3
280.07245	2.1
282.08929	0.6
291.06540	2.6
292.07352	1.2
293.08136	2.1
294.08853	1.2
295.06400	1.0
295.09686	13.2
297.07928	0.8
307.06033	3.0
308.06903	1.3
309.07526	0.8
311.09256	1.2
321.07568	1.9
322.08453	1.0
323.05652	1.0
323.09158	12.1
325.10614	1.6
335.05493	1.1
335.09140	0.7
336.06369	1.5
339.08691	4.7
349.06970	0.7
351.08560	1.5
353.10159	9.3
367.08246	2.1
379.08395	1.2
397.09204	100.0
398.09509	2.7
460.37247	0.5
575.26910	0.7
576.24921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03934	0.8
55.01868	0.9
55.05510	0.7
57.03432	0.9
61.02915	1.4
67.05511	1.7
69.03429	4.8
71.04970	0.5
75.12508	0.3
77.03914	0.4
77.20180	0.3
79.05491	2.6
81.03406	1.5
81.07058	0.9
85.02899	14.3
85.03414	0.7
91.03980	0.4
91.05470	3.9
93.07046	2.7
95.04967	2.7
95.08597	0.5
97.02892	4.3
97.06528	1.2
99.04453	1.3
103.05461	3.5
105.04511	0.7
105.07027	5.2
107.04950	100.0
107.08574	2.3
108.05296	1.4
109.02882	1.3
109.06503	0.4
115.05469	0.9
116.06214	0.4
117.07007	2.6
119.04912	0.5
119.08575	2.2
121.06509	3.4
121.10162	0.9
125.06022	0.5
127.03920	2.1
127.04765	0.4
128.06221	1.9
129.07001	4.8
131.04887	1.9
131.08549	3.9
133.06488	1.7
133.10117	1.4
134.07230	0.3
135.08002	0.6
137.05991	0.9
141.06978	1.5
141.12549	0.3
142.07768	2.6
143.08559	7.0
145.04929	1.7
145.06491	1.1
145.10146	2.3
147.08035	2.7
149.05992	3.0
149.09610	9.7
153.05499	0.8
153.06953	0.7
155.08525	2.7
156.09334	2.9
157.06477	3.8
157.10110	5.5
158.07251	1.1
159.08023	2.4
159.11678	0.7
160.08789	0.8
161.05959	1.3
165.06946	1.6
166.07755	2.5
167.08344	0.4
168.09294	1.1
169.06483	0.7
169.10121	0.7
170.07281	0.5
171.08055	1.9
171.11687	9.9
173.05989	0.7
173.09618	3.4
173.13196	0.7
175.07523	0.9
177.09154	0.6
180.08713	0.8
181.10121	4.7
183.07948	0.7
183.11642	0.8
184.08817	2.0
185.06009	0.5
185.09590	2.7
189.12711	0.5
197.09599	0.5
198.20625	0.3
199.11172	19.3
200.11572	0.4
201.08998	0.7
201.12761	0.5
203.07121	0.5
203.10695	2.9
209.09610	2.5
212.08304	0.5
217.12218	5.2
217.83199	0.3
220.77849	0.3
227.10649	10.8
245.11726	44.9
246.12024	1.2
247.07555	0.3
255.13760	2.6
257.08032	0.7
263.12833	0.5
279.10175	0.4
283.13272	22.7
284.13574	0.8
289.08627	0.5
295.09726	0.5
305.77002	0.3
307.09555	0.9
321.11121	0.9
322.11768	1.9
323.09171	0.7
323.12595	0.6
333.14798	1.4
336.09869	0.5
337.10562	0.5
338.11325	1.0
347.09088	1.0
348.09915	0.7
351.12042	0.5
351.15884	4.4
352.12939	0.5
353.13840	1.0
365.10190	1.0
366.10873	0.7
379.15274	1.1
397.12711	17.1
398.13068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
58.88252	0.9
63.81716	1.1
69.03424	1.1
69.07070	1.0
70.16323	1.1
79.05502	2.1
81.07043	1.5
91.05487	7.1
93.07066	1.5
94.04185	2.0
95.04957	1.9
100.11327	1.1
103.05485	2.4
105.07024	3.7
107.04963	1.3
109.02907	1.1
119.04960	3.3
119.08584	1.2
121.06537	1.4
122.03671	7.3
128.06180	1.6
129.06978	2.4
131.04924	11.8
131.08583	1.6
133.02875	2.1
133.06497	4.9
135.04314	1.3
135.08063	1.8
137.05986	100.0
138.06300	1.9
147.04410	3.5
149.02327	1.5
149.05943	2.0
151.07558	15.3
157.06528	1.4
161.06024	10.4
162.06784	1.3
163.07555	16.4
171.08026	1.6
174.06812	1.4
175.07559	13.1
177.09064	1.2
187.07578	4.8
188.06303	1.0
189.09129	4.8
199.14737	1.7
201.09219	2.5
203.10664	2.8
213.09117	2.4
217.15720	1.1
219.10056	1.3
221.06001	1.8
223.07581	1.4
225.09251	1.5
227.10683	4.3
233.09624	3.5
239.10674	1.8
249.09003	2.3
249.31854	1.0
251.10623	1.9
253.08598	1.6
255.10158	2.2
261.09039	2.4
265.08499	3.1
267.10153	1.5
285.11230	3.1
287.12744	10.1
291.06631	1.5
293.11658	2.0
297.11258	1.6
299.12714	2.3
311.12717	5.4
313.14301	3.5
325.14340	2.2
329.13834	3.2
335.09204	3.7
349.14218	1.3
351.15875	9.9
363.15918	3.0
369.17032	4.4
379.08353	2.4
381.16736	3.9
443.18546	1.5
462.32770	1.2
475.21301	6.7
487.20953	1.8
493.22314	6.3
505.22232	1.7
568.11945	1.1
576.27783	1.8
577.19720	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1895
Annotation	Antibiotic MM 44785
Peak:m/z	Relative Intensity
53.96298	0.2
54.96957	0.2
57.59132	0.2
59.44916	0.2
67.45256	0.2
69.49286	0.9
70.06599	0.8
84.04504	0.2
84.08163	0.3
86.09721	0.3
98.22709	0.3
99.86542	0.2
113.68454	0.2
203.92587	0.2
208.54480	0.2
249.38239	0.2
309.09366	0.3
309.32846	0.2
351.07538	0.2
367.08127	0.3
394.82892	0.2
397.12842	0.2
415.13504	2.5
445.22195	0.3
547.17938	0.4
577.18884	100.0
578.19220	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2256
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
54.46272	0.3
60.33687	0.3
70.06594	0.9
81.07067	0.5
85.02915	1.1
86.09727	0.7
95.08604	0.7
96.59800	0.4
97.02885	0.4
98.56860	0.3
121.02958	0.4
127.03930	0.5
137.06013	0.4
141.51555	0.4
167.06979	0.4
183.62866	0.4
207.06438	0.5
207.13977	0.5
273.09604	0.9
295.06235	0.7
325.07187	0.6
337.06964	0.6
339.08676	0.5
356.36658	0.4
391.08292	0.6
439.10541	1.0
541.13165	0.7
577.22681	100.0
578.23151	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2255
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
50.90300	0.3
58.85677	0.4
70.06586	1.0
72.08161	0.4
79.92046	0.3
81.69317	0.4
85.02921	0.4
85.07406	0.3
86.09720	0.8
123.66633	0.3
158.05676	0.4
159.04208	4.1
163.39774	0.3
189.05283	1.8
190.05986	0.8
199.07558	0.7
200.07857	0.5
203.02641	0.4
205.99045	0.3
313.07788	0.4
322.10342	0.6
357.32748	0.3
399.14117	0.7
400.14560	0.5
414.16504	0.7
415.17249	6.3
443.10471	0.3
536.35162	0.4
562.20471	0.4
577.22559	100.0
578.22949	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
54.61737	1.8
55.01867	5.7
55.05505	9.3
57.03443	4.8
57.07075	3.0
65.03942	3.1
67.05509	28.2
67.44006	2.1
69.03436	4.9
69.07076	11.2
71.04990	3.4
72.07441	2.1
73.02908	7.5
77.03932	2.1
79.05494	39.3
81.03415	9.1
81.07053	33.3
83.04983	4.2
83.08621	5.1
84.91164	4.8
85.02901	5.1
85.06535	3.7
86.90932	17.1
88.07644	3.7
91.05476	36.5
93.07050	47.3
95.04955	7.9
95.08601	19.0
97.02929	3.3
98.98473	4.3
99.04455	7.8
103.05496	2.4
105.04519	3.3
105.07032	46.5
107.08588	25.5
109.02872	18.6
109.10165	9.5
110.03661	6.6
111.04444	8.3
117.06989	12.7
119.08580	38.6
121.10149	25.3
127.03923	8.5
129.06998	8.1
131.08548	18.2
132.99547	3.5
133.10138	34.4
135.11682	22.9
137.13118	2.1
141.68561	2.3
143.08556	6.9
145.10095	20.1
147.08020	2.3
147.11679	38.0
149.13231	11.4
157.10114	7.5
159.11673	18.5
161.13254	29.0
163.11163	3.0
163.14867	5.9
171.11667	12.2
173.13234	11.3
175.14830	10.0
179.08623	2.9
185.13254	10.3
187.14827	4.8
189.12778	2.5
191.00053	6.3
199.14841	6.3
213.16423	3.4
219.17459	2.7
231.21097	6.2
241.19511	29.5
259.20557	77.6
261.22028	3.1
301.21658	4.2
306.17169	2.3
333.24432	6.0
335.25732	2.6
351.25290	100.0
352.25513	5.4
386.23813	2.4
441.26379	3.1
467.21002	3.6
485.21640	2.9
489.57620	2.3
559.25214	7.0
577.23785	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51654	0.5
61.88375	0.5
77.86942	0.5
81.07056	0.7
85.02892	0.9
127.03938	0.6
135.04378	3.1
139.12958	0.5
141.45702	0.6
149.02292	0.6
185.06015	0.8
189.06993	2.6
199.03804	0.7
205.06531	1.9
209.05949	0.8
217.06403	3.3
219.08020	0.9
227.03377	5.3
233.06042	2.8
235.07544	2.1
237.05438	2.4
245.05988	2.4
246.06776	3.7
247.07576	5.6
253.39140	0.5
259.05957	4.3
261.05411	6.8
261.09039	0.7
262.06238	3.1
263.07010	4.1
267.06546	3.0
268.02625	0.5
273.05508	1.6
274.06216	1.6
274.15778	0.6
275.07010	12.9
277.08459	1.0
289.04959	3.3
289.08444	1.7
290.05750	8.6
291.06488	4.8
293.08130	2.1
301.04913	1.8
303.06491	47.2
304.06982	3.3
305.08032	6.7
318.05200	10.7
319.05933	6.0
321.07550	6.9
322.08167	0.8
331.06030	6.6
333.07507	9.4
347.05856	0.8
348.06232	11.3
349.07056	19.5
350.07507	1.1
363.08606	100.0
364.08981	4.8
381.09622	14.9
382.09818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
67.05521	1.4
69.03421	2.0
69.79324	2.1
79.05492	1.9
81.03445	1.8
81.07063	2.6
82.54996	0.8
85.02907	3.6
91.05503	1.5
93.07045	3.1
95.04953	0.9
95.08600	1.9
97.02924	4.8
97.06500	1.0
98.22720	0.9
100.05504	0.8
105.07040	2.3
107.08592	2.1
109.10186	1.9
119.08668	1.4
121.10128	1.8
127.03939	1.7
129.06989	1.1
131.08591	1.8
133.10144	0.8
135.04413	13.2
145.06497	1.7
147.11646	1.4
149.02318	3.8
150.03166	1.2
157.06476	1.1
165.05518	9.5
171.04434	1.8
173.05994	9.9
177.05600	1.3
177.07033	1.2
182.15416	1.7
185.05876	1.0
189.07001	9.0
191.08681	0.8
199.03880	6.5
202.07788	0.9
203.07010	1.7
203.08704	1.9
205.06483	10.1
209.05972	3.5
215.05083	0.9
217.06528	7.1
219.08104	2.5
227.03401	8.8
231.06517	3.1
232.05142	1.1
233.05952	7.4
234.06613	2.0
235.07500	7.1
237.05486	5.0
245.06070	6.0
246.06723	7.1
247.07559	10.4
249.05481	2.0
259.05933	12.1
261.05487	15.1
261.08423	1.5
261.09290	1.5
262.06232	3.9
263.07050	10.9
267.06503	5.6
273.05502	5.2
274.06268	3.1
275.07031	18.6
279.06424	1.2
289.04947	6.6
289.08450	2.2
289.17896	1.0
290.05771	13.0
291.06512	9.3
293.08047	8.3
301.04913	5.4
303.06528	100.0
304.07080	7.6
305.08063	11.8
318.05179	14.9
319.05972	8.3
321.07602	18.9
322.07959	2.4
331.05957	12.7
333.07602	13.2
336.05893	1.0
348.06314	12.4
349.07037	22.9
363.08655	92.5
364.08878	3.2
372.65533	0.9
381.09659	7.6
577.90967	1.7
578.32813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1718
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
53.03957	0.1
56.19998	0.1
57.03432	0.5
67.01879	0.3
68.99802	0.2
69.03413	0.1
69.28700	0.5
69.29108	0.3
71.04633	0.3
71.04999	3.2
71.05391	0.2
75.04485	0.2
81.03401	0.1
83.04985	0.1
85.02908	4.1
91.05479	0.4
97.02905	0.2
105.07027	0.1
119.04948	0.8
119.52676	0.1
121.02871	0.4
127.03893	0.2
129.05519	0.7
137.05995	0.5
145.02901	0.5
151.07541	0.2
153.01817	2.9
163.03847	0.3
167.07091	0.2
171.02884	0.3
187.03813	0.1
225.05421	0.3
229.04878	0.2
243.06552	0.3
271.06009	100.0
272.06360	2.9
331.15353	0.3
433.11316	15.3
434.11584	0.8
469.66885	0.1
579.23395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23361	0.6
53.11253	0.6
55.05491	0.7
56.78536	0.6
65.43945	0.6
74.06075	3.0
74.09714	17.2
75.10050	1.8
76.15244	0.6
95.08591	0.6
95.33653	0.5
104.07082	0.9
111.13393	0.7
126.81160	0.6
127.52697	0.5
151.07556	7.5
184.60312	0.7
203.10716	0.8
308.18768	0.6
435.19724	0.6
437.19550	1.6
497.21442	100.0
498.21738	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01865	4.6
55.05256	1.2
55.05511	16.6
56.02213	0.6
57.03439	11.4
57.07073	5.2
65.03930	3.2
67.05504	87.3
68.05841	0.8
69.03428	4.4
69.07068	19.6
71.04981	3.4
71.07114	0.6
71.08641	3.0
73.02901	4.1
75.04462	1.0
75.10498	0.5
77.03922	1.0
79.05493	44.1
81.03419	13.4
81.07054	95.9
83.04980	2.7
83.08617	12.0
85.02903	3.9
85.06545	3.8
85.10175	1.2
91.05476	25.0
93.07043	58.6
94.07423	0.6
95.04969	5.9
95.08604	79.6
96.08990	0.6
97.02882	2.3
97.06529	4.8
97.10172	6.5
98.98465	77.9
99.04461	4.2
99.08088	2.9
100.56396	0.7
104.99272	1.1
105.04517	1.6
105.07028	20.1
107.08590	38.5
109.02883	12.2
109.06518	2.0
109.10155	45.1
110.03690	4.2
111.04449	4.1
111.08083	3.6
111.11726	1.4
113.09641	1.8
116.99487	1.2
117.06285	0.7
117.07027	8.2
119.06139	0.6
119.08577	17.4
121.10141	36.7
122.10600	0.7
123.08076	2.0
123.11704	20.6
124.93774	0.7
125.00028	0.6
125.09608	2.0
125.13266	0.9
127.03944	4.5
127.04693	0.8
127.11205	1.5
129.06987	1.6
131.08565	20.2
132.99544	1.3
133.10126	17.6
135.11693	27.0
137.09653	2.9
137.13248	8.4
139.11183	2.2
140.01096	0.9
141.12646	0.6
142.07762	0.6
143.08530	1.7
145.10126	17.6
146.56931	0.6
147.11679	14.9
149.02345	0.6
149.09615	1.0
149.13243	20.6
150.02704	0.7
151.11203	2.5
151.14807	4.6
153.12743	1.6
155.01039	76.6
155.08559	1.0
156.96324	0.9
157.10127	0.8
159.11694	13.6
161.13258	11.2
163.11247	1.0
163.14819	14.2
165.12756	2.3
165.16362	2.3
169.10080	0.6
171.11722	1.3
173.02095	1.1
173.13243	13.0
175.14836	6.7
176.35561	0.6
177.12733	0.7
177.16386	5.0
179.14320	2.7
179.17900	0.7
185.09558	0.8
185.13228	1.2
187.14825	6.4
189.16319	2.0
191.00107	3.5
191.14238	1.0
196.03606	0.7
198.97589	0.6
199.11122	0.7
201.16389	3.0
203.17909	0.7
205.15900	1.1
209.01183	0.6
215.17912	0.8
217.14497	0.9
217.19647	0.6
219.17427	1.4
225.01494	0.8
233.18903	0.8
233.22658	3.2
238.33899	0.6
239.36671	0.8
243.02661	2.0
243.21075	28.2
245.22614	12.2
259.20737	1.3
261.22122	100.0
262.22501	2.1
263.23688	26.3
275.23416	0.6
279.23145	2.6
285.22061	0.7
299.05267	1.2
303.23206	1.5
311.21832	0.8
317.06296	10.8
317.24759	1.2
319.26248	2.1
335.07123	0.7
335.25784	12.4
337.27362	60.6
338.27469	1.3
351.22928	1.0
353.26859	83.0
354.27231	2.1
369.24185	2.2
377.26880	1.7
389.26614	0.9
407.28021	1.6
415.17487	0.7
425.29044	3.9
433.20450	1.0
443.27798	2.1
451.21231	2.4
457.82416	0.6
469.22388	2.5
487.23529	2.0
507.24329	1.1
529.22632	1.0
543.26086	1.0
561.27441	9.1
562.27515	0.8
579.28217	3.2
579.35724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
57.03430	4.3
60.05727	1.5
67.05508	12.9
69.07066	5.9
71.46763	1.6
81.07047	2.8
83.01340	2.2
90.81657	1.2
93.07047	2.3
95.04945	2.8
95.08601	6.0
97.06519	2.0
105.07015	2.6
107.08620	1.9
109.10162	25.2
113.05965	1.6
119.08576	1.9
123.08081	7.4
127.11124	1.3
137.09605	13.9
148.60942	1.2
151.07521	16.0
151.11185	4.9
152.08308	1.6
154.12108	1.2
155.10666	7.4
165.09120	5.9
166.09802	2.2
167.06944	1.3
167.14281	2.5
169.08571	2.6
177.09099	4.7
178.09895	8.7
179.10719	11.8
180.11417	13.8
181.12209	21.2
189.09142	1.6
203.10744	1.8
207.10178	6.5
209.11732	1.5
214.14558	1.3
221.11708	2.5
225.11217	43.8
247.13275	22.3
263.12766	6.8
317.21115	100.0
318.21408	2.7
333.20587	15.0
351.21747	14.7
361.20419	1.9
409.26010	2.5
487.30325	4.6
579.35510	10.4
579.43939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	2.7
58.98182	1.3
67.05457	1.3
69.03416	3.6
69.07066	1.7
69.25494	3.7
69.25918	4.3
72.08147	5.7
77.00727	1.1
79.05489	3.9
81.07063	3.6
85.02891	9.6
91.05493	3.1
93.07043	3.4
95.08612	2.3
97.02891	2.9
97.06503	2.2
103.05476	3.2
105.07018	15.6
107.04995	2.1
107.08591	2.5
109.06538	2.0
109.10133	2.2
114.12798	53.2
115.05473	4.4
119.04951	1.6
119.08565	3.2
121.10134	2.4
122.03654	3.4
123.64439	1.2
127.03919	2.3
128.06168	1.9
129.06963	1.9
131.04916	3.2
133.06482	11.5
133.10190	1.6
137.05969	50.9
143.06029	1.8
145.04996	1.9
146.03615	4.1
147.11685	3.4
161.05968	97.2
162.06726	1.5
167.04858	1.4
167.06985	1.7
169.06497	1.3
171.08055	1.7
175.07503	2.7
177.05484	1.5
179.08456	1.8
184.05194	2.0
191.08646	1.9
199.07555	14.9
202.07716	8.7
203.08488	17.6
203.17947	3.5
205.06381	1.8
207.08064	4.9
209.09695	1.9
219.08058	6.8
220.08803	7.5
221.09564	1.8
230.07249	2.1
231.08032	34.0
232.08746	7.9
233.09567	1.8
234.06812	3.1
235.07454	2.8
235.11108	2.4
237.09146	4.1
245.09723	2.2
247.07571	6.8
248.08313	16.7
249.08995	3.5
250.06395	1.6
251.10748	1.6
258.06784	2.6
259.07535	31.0
260.08273	20.3
261.09042	2.5
262.09747	1.8
263.07648	2.6
263.10641	19.2
264.07855	2.9
265.08600	5.9
275.07098	3.5
276.07813	12.4
277.08572	4.4
278.09354	2.1
279.10190	4.0
280.10889	1.4
281.11740	2.2
291.10138	100.0
292.10718	7.3
292.13519	1.3
293.08051	3.1
295.13110	1.7
308.10361	1.6
309.11197	52.2
310.11722	2.7
311.12671	3.0
323.12766	93.4
324.13232	1.9
341.13834	73.3
342.14136	2.2
365.23224	2.1
383.14838	2.5
383.24121	4.1
389.65228	1.7
580.22229	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14537	2.7
57.03438	14.7
59.04991	4.3
67.05501	7.0
69.03067	4.0
69.03428	69.0
69.07066	6.9
69.52989	6.8
69.53377	3.9
71.04979	3.8
79.05481	11.8
81.03415	5.9
81.07045	10.1
83.04977	14.1
85.02905	41.6
87.04465	43.1
91.05478	9.9
93.07048	14.9
95.04953	7.5
95.08595	5.4
97.02889	57.9
97.06522	15.2
99.04429	5.1
102.02589	3.0
105.07037	21.3
107.04939	10.2
107.08540	15.5
109.06515	4.8
111.04438	2.7
115.03926	65.5
115.05257	2.4
117.07019	5.9
119.04908	3.0
119.08593	6.0
121.06510	13.6
121.10101	3.1
125.05997	27.9
127.03913	4.8
128.91263	3.1
131.08543	7.6
133.04961	73.3
133.06493	6.2
135.11664	2.8
137.05956	5.1
139.07552	2.9
143.07034	38.7
143.08247	2.8
143.08614	2.7
143.73065	2.7
145.04948	6.0
145.10107	39.6
147.08032	3.0
147.11693	6.4
151.07512	7.7
159.08115	4.7
159.11668	12.0
163.11182	90.9
164.11578	2.6
169.10152	3.5
173.09608	32.5
177.12775	4.1
187.11208	23.9
189.12723	6.1
191.10652	26.8
205.12286	25.8
215.10646	26.7
233.09348	4.9
233.11720	100.0
251.12834	29.2
259.08093	4.0
269.13797	23.6
287.05429	2.8
325.82684	3.0
350.18704	3.2
449.89746	3.1
511.66595	2.8
580.23474	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76906	2.8
54.51462	3.4
55.01874	4.4
55.05515	6.3
57.03430	12.8
59.05011	3.2
59.05373	2.8
65.45670	3.1
67.05509	7.6
69.03430	54.7
69.07066	14.2
70.06583	3.8
71.04995	4.5
71.46255	4.1
79.05479	12.0
80.45380	3.4
81.03388	3.2
81.07047	13.8
82.06580	2.8
83.04985	25.6
83.08606	6.6
83.46598	2.8
85.02905	42.3
85.06540	5.7
87.04473	35.5
91.05486	12.9
93.07043	30.7
95.04971	14.8
95.08605	9.7
97.02893	47.2
97.06522	26.5
99.04481	7.4
100.11256	14.3
101.05981	3.4
105.07018	34.1
107.04947	8.5
107.08584	19.7
109.06516	14.7
109.10175	3.5
111.04465	4.5
112.45325	3.9
115.03935	48.4
117.07009	5.2
119.04971	13.3
119.08566	13.6
121.06508	23.9
121.10139	8.1
123.08091	4.7
125.05991	44.4
127.03912	7.6
127.07568	8.4
127.08538	3.7
131.08569	11.1
133.04973	44.2
133.06497	4.2
133.10162	6.9
137.05966	9.8
139.07535	10.6
139.08606	5.7
143.07028	40.8
143.08694	3.8
145.04924	5.9
145.06433	4.3
145.10123	60.5
147.08057	3.7
147.11739	8.0
151.07561	8.9
154.07765	5.8
155.06993	3.9
157.08534	15.3
158.07254	3.4
159.08133	4.2
159.11743	25.3
163.11180	60.5
165.53351	3.5
169.10149	5.8
169.19440	3.5
173.09627	38.4
177.12752	7.4
179.08508	4.0
182.15430	9.1
187.11168	44.7
191.10625	20.2
197.09624	10.6
205.12241	60.7
209.11745	4.7
209.16524	7.9
210.14940	6.1
215.10660	65.4
217.05066	3.9
223.13330	12.6
233.11719	100.0
251.12767	81.4
269.13834	91.1
275.12726	7.5
297.24771	3.0
336.22812	6.9
351.08868	3.8
383.11310	7.6
413.18521	4.0
562.39728	8.1
580.40381	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03942	2.1
55.05510	4.8
56.63139	1.0
57.03421	2.7
60.99593	0.9
61.02921	2.9
65.03927	1.7
67.05505	20.6
69.03424	6.9
69.07060	8.0
71.04951	1.2
73.02906	1.6
77.03914	1.9
79.05489	12.4
81.03400	4.6
81.07054	46.2
83.08595	3.2
85.02399	2.1
85.02901	33.6
91.05486	15.5
93.07040	29.6
95.04955	2.4
95.08604	54.6
97.02897	8.2
97.06512	1.9
97.10150	1.4
99.04456	1.6
105.07027	52.1
107.08586	45.1
109.02876	2.5
109.06541	1.5
109.10153	45.2
109.23380	0.9
111.11700	1.1
114.12794	4.8
115.05435	0.9
117.07020	2.0
119.08578	37.7
119.09424	2.1
119.84067	1.0
121.10146	19.1
123.11707	9.0
125.09615	1.0
127.03901	6.8
131.08546	1.6
133.10120	21.4
135.10905	1.2
135.11700	12.0
137.13252	1.8
145.04959	12.3
145.10103	4.1
147.11684	42.8
149.13229	2.6
149.14453	0.9
151.11118	2.0
157.10077	1.0
159.11728	1.6
161.13254	17.2
163.06033	6.5
163.14803	12.6
165.12761	1.7
175.14836	8.0
203.17944	100.0
204.18263	2.6
207.06546	1.3
221.18958	7.9
237.55154	1.0
314.27612	1.1
325.11319	1.4
354.43332	1.1
365.23138	1.3
542.14117	1.1
580.21545	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.03944	2.3
53.33831	0.9
55.01873	2.6
55.05512	7.7
57.03429	6.8
57.07098	0.8
61.02929	9.1
65.03937	2.0
67.05160	1.5
67.05503	18.5
69.03428	17.3
69.07065	6.5
69.63091	1.8
69.63453	1.9
71.04988	2.8
73.02911	3.2
77.03925	0.9
78.04671	1.2
79.05488	11.5
81.03408	9.2
81.07058	40.8
83.04972	1.9
83.08611	2.3
84.04494	0.9
85.02905	100.0
85.76645	0.9
87.04441	2.2
91.03953	4.8
91.05479	16.8
93.07043	27.3
95.04957	3.1
95.08607	48.2
96.08916	0.9
97.02890	29.1
97.03491	1.9
97.06525	1.0
97.10180	1.3
99.04458	4.7
103.03927	1.0
105.04539	1.6
105.07027	39.7
107.08595	45.8
108.08915	1.1
109.02878	7.9
109.06519	1.9
109.10158	35.8
111.11745	1.3
114.12807	1.5
117.03400	2.1
117.07024	1.5
119.06087	1.2
119.08578	32.1
121.10150	14.3
123.08117	0.9
123.11723	10.5
127.03914	23.7
129.07011	0.9
131.08578	1.9
133.10123	18.7
134.10509	0.9
135.11702	9.8
145.03029	5.3
145.04953	39.6
145.10092	3.4
146.05190	1.1
147.11684	32.9
149.13295	1.9
151.11198	3.3
159.11690	2.5
161.13249	11.8
163.06009	13.2
163.14812	6.1
165.12746	1.4
171.11632	0.9
175.14836	5.9
177.05466	12.7
199.57813	0.9
203.17949	74.4
204.18344	1.4
205.19441	1.0
213.16420	1.0
215.17899	1.4
221.19019	6.8
233.07980	1.0
271.65952	1.2
289.05042	1.3
289.09296	0.9
305.07935	1.9
343.08682	0.9
347.21893	1.0
365.23080	1.6
467.32541	1.0
554.55634	1.1
563.75543	1.0
586.95441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1501
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
52.52744	0.3
53.69303	0.4
54.43440	0.4
57.03434	2.1
59.05001	0.5
61.02924	1.4
68.99772	0.5
69.03432	5.2
70.00282	0.9
70.00636	0.7
85.02905	4.7
87.04466	4.0
91.03977	1.0
97.02891	5.1
97.24538	0.4
107.04936	0.6
108.96312	0.4
111.00800	0.7
115.03915	4.2
121.02871	2.1
133.02911	0.6
133.04970	4.1
137.02318	0.5
142.86258	0.4
145.04935	0.5
153.01849	2.6
161.81651	0.4
163.77240	0.4
165.01834	1.6
183.02998	0.5
213.05432	0.9
258.05185	0.9
259.06140	0.5
287.05496	100.0
288.05807	2.1
299.05505	1.1
329.06378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1783
Annotation	Mulberrofuran C
Peak:m/z	Relative Intensity
65.71754	0.3
69.04539	0.5
81.07074	0.3
93.07036	0.4
115.03860	0.4
174.45006	0.4
210.24051	0.3
268.01865	0.3
355.15283	0.5
504.39984	0.3
581.17804	100.0
582.18188	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05508	16.9
57.03434	7.7
57.07080	6.2
59.78342	0.7
67.05499	20.3
67.05855	1.1
67.84110	0.7
69.03420	1.0
69.07067	19.9
69.29619	3.4
71.05002	2.1
71.08617	3.3
79.05484	9.4
81.03414	8.6
81.07051	21.1
83.04976	2.6
83.08613	15.2
85.02906	0.9
85.10175	1.5
91.05478	2.4
93.07040	15.3
95.04979	1.1
95.08602	18.0
97.06531	3.2
97.10172	10.0
98.22656	1.3
98.98459	88.8
99.04442	1.4
99.08116	0.8
101.65916	0.7
105.07030	3.2
107.08576	6.3
109.02887	4.9
109.06492	0.7
109.10138	11.4
109.82257	0.6
110.82012	0.7
111.08073	3.3
111.11700	3.3
116.99498	1.8
117.06959	0.8
119.08568	2.4
121.10137	13.3
123.11705	3.6
125.09620	0.8
127.03928	0.7
133.10124	1.4
133.67325	0.6
135.11682	10.8
137.13306	1.1
140.01170	0.7
141.41177	0.7
143.08485	0.7
145.10098	2.4
147.11711	0.8
149.09619	1.9
149.13240	3.1
151.14784	1.1
155.01025	100.0
156.09340	0.8
157.10103	1.6
159.11732	1.1
163.14806	2.0
165.16389	0.9
167.10652	1.1
169.10109	0.9
171.11658	1.9
173.13181	1.0
179.08478	0.8
207.11719	1.1
211.55367	0.7
215.14326	0.7
243.02554	1.6
247.24174	6.1
265.25256	21.2
266.25659	1.1
299.05197	1.1
317.06293	9.3
339.28900	74.0
340.29364	3.4
340.82639	0.7
353.26675	4.5
354.26733	2.0
355.27054	2.3
363.42111	0.8
369.12805	0.7
409.29297	2.0
419.25388	1.7
427.30539	5.3
563.29126	2.6
563.37653	1.3
581.27045	1.9
581.39746	4.7
587.92438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.1
56.62846	5.0
57.03446	5.5
61.02920	6.7
67.05502	20.3
69.03423	16.6
69.07060	18.5
70.06585	10.7
71.04990	15.1
73.02908	5.6
79.05474	26.7
81.03413	12.2
81.07059	100.0
83.04946	6.9
83.08621	10.0
85.02907	55.8
91.04932	4.4
91.05486	19.0
93.07059	45.7
95.04971	9.9
95.08607	54.3
97.02882	21.6
97.06521	10.0
99.04437	5.7
99.08096	5.1
105.07034	54.3
107.04994	5.9
107.08592	67.2
109.02888	11.1
109.06495	4.6
109.10159	47.5
114.12787	9.5
117.07018	7.5
119.08582	76.1
121.06489	5.5
121.10165	25.2
123.07929	5.4
123.11719	30.9
125.09675	9.8
127.03932	20.7
127.11204	31.9
131.04921	7.8
131.08585	7.4
133.10136	39.4
135.11697	96.4
137.05983	14.5
139.11247	5.3
143.10689	30.1
145.04942	17.8
145.10158	8.8
147.11714	41.7
149.13205	5.6
151.03857	4.7
159.11613	5.1
161.13248	19.1
163.06033	11.3
163.14859	5.5
165.12802	7.8
167.07050	9.5
169.11813	4.7
175.14862	5.7
203.17958	96.2
207.06645	6.8
210.14929	6.5
215.10712	6.4
216.11183	5.7
221.19000	69.6
233.11725	7.1
234.12013	9.2
247.63306	4.6
275.12665	14.3
276.13144	17.9
326.10468	9.1
333.20551	5.9
348.47208	6.2
474.10782	6.2
581.23315	86.1
582.24817	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	3.4
55.05507	12.3
57.03440	3.7
57.07081	3.4
59.05005	3.2
61.02923	5.5
64.84367	3.0
66.04323	3.1
67.05499	14.6
67.61279	3.0
69.03433	11.8
69.07069	15.5
69.23471	14.4
71.04987	19.4
72.35433	3.1
73.02896	2.8
79.05489	19.6
79.84333	2.7
80.97646	3.1
81.03426	5.2
81.07056	100.0
83.08632	8.1
84.76359	2.8
85.02899	45.4
91.05499	14.0
93.07043	34.9
95.04964	6.8
95.08599	52.2
97.02897	15.6
97.06532	5.2
98.23482	4.2
99.08128	4.6
105.07017	44.4
107.08594	58.8
109.02843	4.9
109.06529	3.7
109.10161	41.6
110.09815	2.9
114.12825	4.2
115.05383	3.1
117.07006	4.2
119.08576	65.4
121.06608	3.3
121.10138	18.2
123.11699	17.2
125.09604	9.1
127.03921	10.5
127.11208	24.8
127.20536	2.9
131.08548	4.4
133.10120	33.2
133.27679	2.5
135.11693	72.8
137.05963	6.5
137.09726	3.2
137.13220	8.2
139.11188	5.6
143.10657	18.8
145.04961	17.6
145.10155	5.3
147.11693	34.0
149.13269	9.2
151.03880	4.4
151.11134	3.3
157.10115	2.9
159.11729	3.6
161.05890	3.1
161.13329	15.1
163.03899	3.4
163.06017	8.8
163.07329	2.7
163.14822	3.4
166.86284	3.4
167.07001	4.1
177.05515	3.9
177.12831	3.0
203.17941	73.4
204.07526	7.2
204.18149	3.9
205.19405	3.0
215.10744	6.0
216.10957	4.8
221.18991	63.1
233.11743	4.9
234.12161	5.1
239.19966	3.2
275.12772	9.1
276.13080	12.9
309.10858	4.8
326.10880	5.5
330.94971	2.9
376.00598	3.0
444.93314	3.7
581.23456	73.9
582.24402	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.7
57.05811	1.0
58.06598	6.1
59.05466	0.1
63.58207	0.1
69.07062	0.1
69.45430	0.1
69.94357	0.1
70.06582	0.4
71.07368	0.9
72.08154	11.9
79.05476	0.1
98.23466	0.1
99.47863	0.1
114.12800	100.0
115.13135	1.0
120.08113	0.5
245.44791	0.1
354.34607	0.1
536.27301	0.8
536.33386	0.1
581.33331	3.1
582.33331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01864	2.9
57.03431	16.4
59.05002	5.7
61.02929	6.7
63.67145	1.4
67.33729	1.3
69.03426	66.3
69.64188	4.0
70.06607	1.8
71.05000	1.9
73.02919	4.6
79.05502	2.3
81.03416	6.2
85.02901	100.0
87.04062	0.8
87.04467	41.3
91.03953	5.4
91.05476	88.4
97.02888	77.4
98.22653	2.3
99.04457	5.4
105.07015	1.9
107.04961	4.9
109.02878	7.3
110.07208	1.4
111.08086	1.5
115.03926	84.8
117.07024	1.4
119.08562	1.8
121.44291	1.3
123.04403	2.0
127.03915	23.5
133.04961	86.0
137.02333	5.5
139.03879	1.6
139.29436	1.4
145.04951	47.0
151.03909	12.2
161.04474	5.9
161.13213	1.4
163.03920	1.8
163.06007	25.9
169.05011	2.2
175.07541	1.7
201.05547	1.7
203.03401	1.8
205.08578	1.9
217.08598	4.0
223.05907	1.6
223.09718	5.0
235.09756	3.7
241.07123	3.5
253.10759	10.0
259.08105	11.5
271.11755	2.2
277.09143	3.3
289.09253	2.4
295.10275	11.6
311.05463	5.5
312.05646	6.6
313.06351	1.6
323.05453	2.4
324.05811	5.1
325.07236	2.2
325.11194	16.5
337.06921	2.0
338.07471	3.6
341.06522	3.7
342.06638	7.0
350.07449	2.7
352.09079	2.5
353.06711	2.4
354.06903	5.1
364.09094	1.6
366.06802	4.6
368.08768	2.5
378.06821	2.4
380.08554	1.5
382.09985	1.7
392.08347	2.2
396.07950	7.5
408.07764	3.8
414.08908	6.4
420.07983	3.2
426.08972	6.1
432.09726	1.8
444.09933	3.2
450.08640	2.0
456.10422	1.9
462.11163	2.7
468.10217	3.3
474.10815	4.1
486.11087	5.9
498.10986	7.7
510.10867	5.0
516.12360	2.5
528.11908	6.0
546.13660	6.3
564.14063	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.58197	0.9
55.01855	1.8
56.11657	0.8
56.88372	0.8
57.03432	20.8
58.67910	0.8
59.04989	3.7
60.04522	1.1
61.02927	5.3
65.03948	1.3
69.03425	76.4
69.40851	3.8
70.06597	1.8
71.01358	1.6
73.02911	3.6
75.04485	1.8
77.79183	0.9
79.05465	1.4
81.03415	6.8
83.04967	2.1
85.02901	89.7
87.04465	44.1
87.05009	1.3
91.03942	4.1
91.05477	57.3
95.04990	1.2
97.02888	89.3
97.12668	0.8
98.22630	1.1
99.04464	4.2
99.04995	0.8
99.11858	1.1
101.02393	1.2
103.03934	2.2
105.07050	1.8
107.04937	3.3
109.02876	4.0
110.90049	0.9
111.04451	1.2
114.44546	0.9
115.03926	100.0
117.05530	0.9
123.04427	2.1
125.83973	0.9
127.03910	18.5
127.04856	1.0
129.06995	1.5
131.54868	0.8
133.04961	97.8
134.05296	1.0
143.08556	1.0
145.04951	31.9
150.07610	6.8
151.03914	2.9
161.04398	4.6
163.06013	16.7
163.07332	1.7
165.05484	1.4
169.04965	3.3
175.06032	1.0
175.07521	1.1
177.05408	1.4
183.17358	0.8
187.06046	1.4
187.07594	0.9
205.07025	1.6
211.05956	1.1
217.08591	2.2
223.06036	2.3
223.09669	5.6
229.07033	1.1
235.09576	2.6
241.07098	4.7
253.10703	5.6
259.08075	11.8
277.09055	5.5
289.09283	1.4
295.10236	12.0
325.11218	5.5
582.17896	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.05508	2.2
67.05505	8.7
69.07066	2.6
69.80132	1.2
69.80504	1.0
75.38039	0.5
79.05492	8.5
81.07051	8.8
83.08629	0.9
86.09702	100.0
86.50830	0.5
87.10030	1.9
88.11254	1.1
91.05478	11.0
93.07047	8.5
95.04958	1.7
95.08601	4.4
97.06516	1.0
105.04644	0.5
105.07030	7.8
107.08584	2.6
107.87341	0.5
109.06592	0.5
109.10130	1.3
111.08079	0.8
115.05412	0.9
117.07019	4.6
118.15939	0.6
119.08579	5.7
121.06530	1.0
121.10138	2.7
123.11698	1.0
128.06236	0.6
129.07042	1.8
131.08568	6.9
133.10110	5.9
135.08075	1.8
135.11668	2.1
141.07022	1.2
142.07796	0.7
143.08527	1.9
145.10136	3.5
146.11755	53.6
147.11656	4.0
149.09578	0.8
149.13255	1.4
155.08611	0.9
157.10080	2.8
159.11687	4.9
161.13263	2.1
163.11272	0.6
163.14719	0.7
169.10036	1.0
171.11725	2.6
173.09558	0.6
173.13272	2.1
175.11176	0.6
175.14793	1.3
177.12589	0.6
183.11681	1.2
185.13261	1.3
187.14859	1.5
197.13280	0.8
199.14772	1.3
201.12683	1.7
201.16412	1.9
203.17944	6.2
211.14832	1.0
219.13864	0.9
225.16399	0.6
227.18011	1.5
239.17877	0.6
241.19498	0.7
245.18987	0.6
263.57693	0.6
281.23590	0.5
304.22858	1.4
419.33026	0.7
437.33673	1.0
463.13712	0.5
504.41779	0.8
522.43427	3.0
564.42737	0.6
582.44757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
56.12142	0.9
61.44845	0.8
67.05500	9.6
69.07068	3.0
69.22076	5.3
77.03951	1.2
79.05491	10.3
81.07050	10.2
83.08625	1.6
86.09700	100.0
88.11256	1.4
91.05467	17.3
93.07034	9.4
95.04957	1.8
95.08594	6.3
97.06506	0.9
105.04490	1.1
105.07024	9.6
107.08595	6.8
109.06513	1.6
109.10146	3.1
111.08031	1.1
117.07021	7.6
119.08573	10.6
121.06538	1.1
121.10147	4.7
123.08094	1.2
129.06995	4.3
131.08539	8.2
133.10106	7.2
135.11667	2.0
143.08583	3.0
145.10117	8.3
146.11749	51.1
147.08072	1.7
147.11774	3.6
149.13274	1.8
155.08517	1.7
157.10167	4.5
159.11697	5.7
161.13258	1.5
163.15005	1.3
169.10158	4.2
171.11678	4.5
173.13261	2.5
181.10049	1.7
183.11678	1.8
185.13284	2.9
187.14781	1.8
191.14241	1.0
195.11687	1.3
197.13268	2.3
199.14828	3.2
201.16350	2.3
203.17963	4.2
211.14815	1.9
213.16431	1.4
221.15448	1.2
227.17955	1.2
235.14766	1.3
236.61443	0.9
241.19644	1.5
243.21033	1.1
263.17908	1.2
267.21085	1.3
274.43149	1.0
366.26495	1.1
419.33057	1.8
504.41827	1.8
522.43109	1.7
555.76855	1.1
564.25098	1.1
564.43671	1.5
582.40350	3.7
583.41455	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05501	3.9
57.07077	1.8
67.05507	14.3
69.07067	3.3
71.28239	1.2
79.05486	12.7
81.07049	11.4
86.09704	100.0
91.05481	18.0
93.07035	14.4
95.04974	5.0
95.08614	8.3
97.06530	1.5
97.10106	1.2
105.04520	2.0
105.07032	15.2
107.04947	1.1
107.08608	8.7
109.06528	1.4
109.10149	3.6
110.06864	1.1
117.07014	5.2
119.08575	10.3
121.10144	4.6
123.11678	1.2
129.07007	6.0
131.08566	10.5
133.10094	8.4
135.08026	1.5
135.11688	2.9
137.09659	2.4
141.06972	2.9
142.07823	1.8
143.08578	3.3
145.10127	7.5
146.11760	55.9
147.11641	5.4
149.13289	2.2
155.08569	2.8
157.10139	5.2
159.11705	5.9
161.13255	3.7
164.40016	1.3
165.09082	1.3
167.08470	1.5
169.10107	3.3
171.11682	3.8
173.13272	4.9
175.11044	1.7
175.14781	2.1
181.10081	1.2
183.11749	2.2
185.13217	2.5
193.10057	1.2
195.11740	2.6
199.14740	1.9
203.17897	6.0
209.13246	1.7
211.14758	2.1
213.16350	1.3
219.13602	1.4
239.18167	1.2
241.19579	2.0
265.19531	1.2
284.98608	1.3
304.22775	1.9
437.33884	1.7
522.42889	4.0
564.44226	1.4
565.40442	1.3
582.39911	2.0
583.40955	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.142
Annotation	BULBINELONESIDE D
Peak:m/z	Relative Intensity
67.66178	0.6
68.89871	0.6
69.75803	0.6
77.22037	0.6
79.05516	0.7
80.85599	0.6
81.03369	0.5
81.07054	0.8
91.05488	0.7
103.14472	0.5
135.04462	1.0
149.02374	0.6
163.03896	0.8
199.03882	0.8
200.99849	0.7
203.05249	16.9
205.06584	1.2
209.05983	0.8
209.50104	0.6
217.06647	0.6
227.03412	1.7
233.06007	1.6
235.07639	1.2
237.05484	1.6
245.05977	0.9
246.06837	1.6
247.07594	0.9
261.05594	0.9
263.07062	2.6
267.06598	1.6
273.05554	0.8
274.06061	1.0
275.07074	2.5
291.06342	1.2
293.08215	1.2
303.06509	12.9
304.07336	0.7
305.08057	1.4
321.07651	1.5
331.05844	0.9
348.06445	1.1
355.15381	1.6
356.15753	0.6
363.08673	2.2
373.16479	0.8
403.07861	31.0
404.08255	1.9
431.45270	0.6
460.92413	0.6
523.12103	4.3
583.14185	100.0
584.14526	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
56.39820	0.5
67.05517	2.4
69.03432	1.1
69.07067	1.2
70.06601	0.7
71.04992	0.7
71.45360	0.6
74.27475	0.5
79.05502	2.7
79.26522	0.5
81.03420	2.5
81.07055	5.5
82.07404	0.9
83.04999	1.5
83.08612	1.3
85.02905	1.5
85.06535	0.6
86.09720	1.0
91.05499	3.1
93.07065	3.1
95.04973	2.0
95.08614	1.7
97.02917	0.8
97.06544	2.1
97.10191	0.7
105.04510	0.5
105.07034	3.3
107.04970	0.6
107.08614	1.3
109.06550	2.2
109.10150	1.5
111.08106	0.6
114.12858	0.9
119.08593	1.7
120.08169	0.8
121.06523	1.3
121.10145	1.4
123.08062	0.8
125.06043	1.1
127.03957	0.9
129.06984	0.7
131.08577	1.1
133.10176	1.5
135.04424	2.8
135.08028	0.6
137.05960	0.5
143.08618	0.9
145.06387	0.7
145.10138	1.4
147.08038	0.6
147.11714	1.5
149.02386	0.7
149.09627	0.7
151.07611	0.6
157.08708	0.7
157.10129	1.5
159.04466	1.2
161.02434	0.9
163.03883	2.9
163.11127	1.2
165.05463	1.1
167.07156	0.6
171.11742	0.9
173.02361	1.5
173.06044	2.3
175.11238	0.8
176.91382	0.5
177.05458	0.7
181.12263	2.6
182.12610	0.8
185.04256	1.4
185.05930	0.6
187.03885	2.0
191.14180	0.6
193.05054	0.8
199.03836	2.6
201.03709	1.2
201.05478	1.0
203.05283	3.6
203.07033	0.9
204.15555	0.5
205.06461	4.7
209.06042	1.0
209.15559	0.6
213.05534	1.7
217.12262	1.4
226.25208	0.6
233.06125	2.7
235.07617	2.9
237.05539	0.7
249.05545	0.8
253.12074	0.5
261.05682	0.7
263.07025	5.2
267.06644	1.5
267.13901	1.8
273.05496	0.8
275.07269	0.8
275.19907	0.5
289.05249	0.6
291.06491	3.2
293.08066	4.3
301.05148	0.8
303.06635	2.6
304.07516	0.8
311.12909	1.2
311.16595	1.1
315.06812	0.9
317.20953	0.7
319.05496	0.6
319.22775	0.9
321.07858	0.8
335.22150	1.0
337.14340	0.8
355.15417	10.6
356.15707	2.7
373.16742	1.6
382.06049	0.5
403.07880	8.8
405.09387	4.9
421.10709	1.1
476.02798	0.6
487.35532	0.5
523.12177	15.4
524.12585	1.3
583.14233	100.0
583.27435	13.4
584.14459	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.43795	1.0
55.01884	2.8
55.05511	1.9
55.12492	1.1
57.42458	0.9
60.72306	1.0
65.03945	22.4
66.56578	0.9
67.05518	7.8
69.03425	1.5
69.07066	1.5
69.48126	4.5
71.05004	1.1
71.80352	0.9
79.05484	6.4
79.55993	1.0
81.03416	5.4
81.07075	5.5
82.04198	3.6
82.43646	0.9
83.04974	1.2
83.08640	1.4
85.02898	2.6
85.66448	0.9
91.05480	4.9
93.03413	13.2
93.07051	3.8
93.72133	0.9
95.01331	3.4
95.04976	6.6
95.08611	2.3
97.06557	5.4
99.93172	0.9
103.05489	2.0
105.04537	2.0
105.07040	4.6
107.04964	6.5
108.02105	2.5
109.02901	1.5
109.10172	2.5
110.03662	16.9
111.04456	21.6
115.05434	2.0
117.24436	0.9
119.08560	1.6
121.02878	16.2
121.03852	1.4
121.03997	1.1
121.06505	2.9
121.10130	2.1
123.04427	1.5
123.08054	1.0
125.05997	24.1
129.06987	1.4
131.04950	2.5
133.06548	1.6
133.10147	2.4
135.04453	5.6
135.05457	1.1
137.05984	4.2
138.03149	2.3
143.08511	1.6
145.02843	1.5
145.06496	2.4
147.04414	3.5
147.08054	3.8
147.11743	1.2
149.05971	2.2
151.03920	35.4
151.05034	3.4
151.07515	2.6
153.05481	100.0
157.06615	1.1
159.08081	5.0
161.05969	5.6
163.03935	4.7
163.07565	1.4
165.05576	1.3
165.06941	2.3
167.07063	7.1
167.08388	1.6
171.04395	1.4
173.02376	2.3
173.06142	1.1
175.07591	4.8
177.05513	2.6
178.06230	2.0
178.07703	1.8
179.07076	1.4
181.04974	3.0
181.06467	2.1
181.08577	1.9
183.08022	1.2
185.06090	1.5
186.06659	1.1
187.03931	1.8
187.07581	3.4
189.05547	2.5
189.07045	2.3
190.07780	2.2
191.08588	2.4
194.07298	2.2
195.08095	3.0
197.05978	1.4
197.09557	1.9
199.07594	1.3
203.08658	1.3
205.06586	2.1
205.08421	1.3
206.07304	1.8
207.08005	3.4
208.08679	1.2
209.09752	1.9
210.06668	1.5
211.07582	1.9
213.05386	2.3
216.04240	1.1
216.07805	3.8
218.07283	1.5
219.08032	2.9
220.08813	2.2
221.05894	1.3
223.07564	3.9
224.08330	2.3
225.09196	4.2
226.06267	3.3
229.08604	1.3
234.06721	2.0
235.07637	2.8
236.08272	3.3
237.09088	2.3
238.06337	1.2
238.09827	1.5
239.07050	6.6
239.10756	2.2
247.07497	1.9
247.09685	12.1
248.08260	2.1
249.09059	1.9
251.06947	2.1
251.10597	5.0
253.08665	11.6
254.09311	3.9
261.09256	1.2
263.06961	2.4
264.07809	2.8
265.08707	4.4
266.09375	2.1
267.06659	1.1
267.10074	2.4
267.13828	2.5
269.11771	6.2
270.08600	1.2
276.07816	2.0
277.08749	1.1
278.09500	1.5
279.10272	3.3
281.08102	2.1
281.11880	1.3
282.09058	5.1
282.11691	1.1
283.09732	3.3
283.12854	1.0
291.24210	1.0
293.08002	1.7
294.08795	1.9
295.09692	3.7
297.11176	7.9
300.25864	1.1
307.09689	7.8
308.10052	1.3
309.11215	1.8
311.12888	3.8
311.16327	1.8
317.21014	2.4
319.09583	2.3
325.10703	49.8
326.11118	1.3
327.12314	1.3
329.13705	1.9
335.22125	4.1
337.10623	3.3
337.14276	1.4
339.08481	2.0
339.12308	24.4
340.12949	1.7
341.13940	2.2
351.12280	5.7
352.12866	1.5
353.13742	1.9
355.11588	2.3
355.15445	16.4
356.15952	1.2
357.13348	51.7
358.13794	1.8
369.13217	6.2
370.14038	2.8
373.16272	3.4
387.14191	1.8
565.26276	3.8
583.27319	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27174	0.8
57.07064	0.9
68.74958	0.9
69.55527	4.0
73.86043	0.9
80.72897	0.8
81.07029	0.8
93.03014	0.8
105.07026	1.1
107.08588	1.2
116.40826	0.8
175.02464	0.9
204.43501	0.9
274.27393	7.1
358.76962	0.9
392.58350	0.9
583.16809	3.8
583.25018	100.0
584.25507	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.3
57.07077	15.5
63.10863	5.1
65.02931	4.1
65.03949	4.8
67.05505	37.6
69.03440	5.2
69.07059	26.0
74.88818	4.3
79.05489	28.1
81.07053	42.0
83.04984	10.2
83.08595	10.7
85.06558	4.9
86.09703	13.3
91.05479	50.3
93.07037	47.4
95.04981	17.8
95.08596	39.4
97.06538	6.9
97.10177	4.9
101.26060	4.7
105.07024	70.3
107.08578	47.8
109.06526	19.0
109.10174	19.2
117.07021	20.3
119.08583	88.4
120.86893	4.3
121.06512	5.2
121.10119	39.9
123.08070	9.3
128.06268	6.5
129.07008	16.7
130.07797	8.8
131.08571	37.3
133.10135	37.9
135.08051	12.4
135.11714	15.2
137.09628	6.2
141.07021	7.6
142.07790	21.3
143.08566	40.9
144.09288	5.0
145.10118	52.3
146.11765	6.5
147.08012	11.3
147.11629	22.2
149.09621	8.4
149.13377	5.7
151.07518	6.4
155.08539	25.1
156.09366	23.8
157.10138	55.3
159.11699	27.8
161.09572	8.8
161.13297	6.7
163.11166	13.2
163.14870	6.2
165.07033	9.2
165.09117	17.5
167.08559	10.3
167.10692	14.5
168.09314	7.1
169.10071	30.6
170.10880	6.0
171.11691	28.0
173.09584	6.6
173.13268	23.5
175.14835	12.4
178.07747	4.7
179.08533	11.6
181.10107	26.3
181.12256	7.4
182.10933	5.3
183.11656	27.2
184.12489	8.3
185.13268	17.4
187.14925	6.2
189.12730	6.9
191.14357	11.8
192.09299	6.8
193.10173	16.3
194.10918	10.2
195.11716	19.1
195.13599	4.8
196.12428	5.2
197.13284	18.9
199.14804	21.0
203.14346	9.8
205.04846	5.2
207.11717	17.4
207.13588	5.6
208.12450	7.6
209.13354	25.2
210.14230	5.3
211.14767	10.2
217.15858	10.1
219.11708	6.6
220.12512	7.1
221.13303	15.8
221.15373	47.0
222.13927	6.9
223.14890	16.9
225.16359	7.7
229.07927	4.9
231.11665	9.9
232.12576	5.8
233.13297	8.2
234.14139	6.5
235.14732	8.5
237.16457	11.4
244.12492	6.7
247.14801	10.5
249.16309	6.9
251.18024	5.2
257.18945	12.4
260.15762	7.2
261.16476	10.4
263.17920	11.4
265.19568	6.5
269.18875	5.3
273.16122	7.9
275.17761	5.5
275.20352	8.5
277.19565	7.8
283.20657	17.4
291.19940	4.7
331.24326	7.5
349.25238	7.6
491.34601	5.5
547.38586	6.3
565.40399	11.0
583.41528	100.0
584.41718	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01868	3.1
55.05500	1.3
57.03434	1.6
57.76535	0.9
61.02915	2.0
65.03922	1.1
67.05485	1.4
69.03414	4.6
70.06579	2.1
78.04716	1.4
79.05477	6.6
79.55653	0.9
81.03411	2.7
81.07059	2.5
83.04978	1.5
85.02898	14.6
86.09699	1.8
89.03912	1.5
91.05470	9.8
93.07052	2.9
95.04962	7.0
97.02896	5.2
97.06526	2.5
103.05459	16.7
105.03395	2.8
105.04517	1.7
105.07033	20.9
106.04181	17.3
107.04952	11.6
107.08619	1.1
109.02905	1.4
109.06519	2.7
111.04436	1.4
115.05458	5.4
117.03380	3.4
117.07009	1.2
118.04142	3.1
119.04943	4.1
121.06492	12.2
121.10080	1.3
123.04432	1.2
125.05986	3.6
127.03886	2.2
128.06230	1.4
129.07014	2.9
131.04929	15.8
131.08543	1.1
132.05748	5.0
133.02837	1.1
133.06494	25.2
134.03639	2.2
135.04427	7.9
137.05954	5.2
139.07556	4.7
143.06125	1.3
145.04971	2.9
147.04416	4.2
149.05975	36.8
151.07556	2.0
155.58606	1.0
157.06445	1.5
159.04390	2.4
159.07977	1.4
160.05199	3.0
161.05974	40.1
162.06516	1.1
163.03889	8.3
163.07503	4.6
165.05484	4.1
167.07042	14.6
173.05943	1.0
174.06769	4.3
175.07555	4.4
177.05461	100.0
178.05930	2.1
179.07019	9.1
180.07744	1.7
181.04916	1.1
181.08560	3.8
187.07547	6.1
188.04721	1.2
189.09123	6.2
191.07034	9.6
192.07808	17.4
193.04973	7.0
193.08597	36.0
195.06499	10.4
197.08046	1.1
197.48001	1.1
203.07079	2.2
207.06528	13.5
209.08133	7.4
212.85757	1.0
215.07033	9.7
225.07565	9.8
233.08083	24.2
251.09157	3.3
263.40186	1.0
296.87012	1.1
337.10675	4.0
357.13342	2.2
361.16537	1.3
369.13336	13.4
387.14279	9.1
405.15430	3.0
584.30194	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71284	0.4
57.03453	0.5
61.08359	0.4
67.05505	0.8
68.16618	0.5
69.03431	1.0
72.08141	1.1
79.05497	1.1
81.03377	0.6
81.07050	1.1
85.02892	1.8
86.09682	0.5
91.05497	1.3
95.04920	0.8
95.08572	0.7
96.08103	0.5
97.02852	0.8
97.06566	0.6
103.05403	0.6
105.07018	1.0
107.04954	1.1
107.08563	0.8
109.10165	0.5
109.30156	0.4
114.12803	6.2
115.13126	2.5
119.08563	0.8
121.06503	0.7
127.03928	1.0
129.06964	0.9
131.04936	1.1
131.08557	0.7
133.06526	0.4
133.10080	0.5
135.08038	0.5
137.05966	1.7
143.08549	0.8
145.06482	0.8
145.10138	0.5
147.04459	0.4
151.07530	4.9
156.15549	0.4
157.06490	1.3
158.07274	0.9
158.60051	0.4
159.08043	1.8
161.09578	0.8
162.06679	0.6
163.03914	1.5
163.07483	1.1
167.07034	3.8
169.06448	0.9
170.07193	0.4
171.08110	0.5
172.08820	5.7
173.05960	2.2
174.06731	1.6
174.10371	3.0
175.07576	0.6
175.11232	0.5
176.08333	1.0
177.09119	1.2
181.04987	0.6
184.08835	4.1
185.06059	1.2
185.09569	0.6
187.07526	1.0
188.08327	15.8
189.05469	0.6
189.09074	4.0
190.09846	0.8
191.06912	0.8
191.10631	0.6
200.08304	2.9
201.09027	0.6
202.09879	1.2
203.10663	20.9
205.09044	0.6
205.12256	4.8
215.10646	8.1
217.12074	0.6
227.10672	1.2
233.11717	100.0
234.12042	3.3
245.11630	0.9
251.12769	4.0
263.08905	0.5
339.15918	0.7
371.18570	0.8
437.26004	0.5
584.25793	0.8
584.34271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03004	0.7
55.01859	1.1
55.05513	1.0
67.05495	2.0
68.38398	0.7
69.03428	1.9
69.07050	1.7
69.79028	1.6
69.79391	1.6
70.06590	5.5
71.04980	2.9
79.05482	1.3
81.03432	1.3
81.07054	1.9
83.04964	1.0
83.08602	0.8
85.02893	3.5
86.09698	3.6
91.05486	3.5
93.07051	1.5
95.04973	3.5
95.08582	1.1
97.02896	1.7
97.06532	1.3
101.06030	1.4
105.05584	0.8
105.07028	2.4
107.04962	4.2
107.08553	1.4
108.05726	3.3
109.06486	0.7
109.10181	1.3
117.07056	0.9
119.08591	1.8
121.06488	2.5
121.10159	1.1
131.04993	1.0
131.08557	1.1
133.06465	0.8
135.04390	2.1
135.08018	1.9
136.05185	2.8
137.05949	3.7
138.06728	1.0
143.08525	0.7
145.06485	0.9
146.07243	1.3
147.08086	1.8
148.05190	4.9
150.06761	1.7
151.07542	100.0
152.07925	1.4
157.13383	1.7
159.08034	1.3
161.05975	2.5
163.07529	3.0
165.09088	7.8
166.06271	7.5
167.07022	1.7
173.05940	1.0
173.09654	0.7
176.08310	2.2
177.09120	9.1
179.10652	1.6
180.07845	2.2
181.08598	56.9
184.07317	0.8
187.07478	1.2
188.08324	1.8
189.09059	4.4
189.16382	0.8
190.09860	2.0
191.07193	0.9
191.10681	3.4
193.08556	1.8
195.10144	8.6
201.09065	1.8
202.09888	2.7
203.10649	4.3
204.08105	0.8
205.08601	1.0
207.10184	2.9
216.11511	2.1
217.12173	4.5
221.11804	2.6
233.11748	1.9
239.74883	0.9
245.11700	1.0
247.13356	2.4
251.12859	1.7
254.17538	1.1
265.14380	1.3
265.17831	1.1
353.17456	1.4
354.18280	2.5
355.15173	1.0
370.17737	9.2
385.20068	37.2
385.25018	1.9
386.20428	1.9
397.19867	1.0
403.21140	35.6
404.21259	1.2
421.22369	2.0
525.80243	0.9
550.09479	0.8
584.27478	4.7
585.29059	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
58.63889	0.6
60.78878	0.7
65.03959	0.8
67.05511	8.3
69.07071	2.1
69.57131	2.9
76.26540	0.7
79.05486	7.7
81.07052	7.1
84.66886	0.6
86.09708	100.0
87.10024	1.4
89.06049	0.8
91.05486	7.4
93.07047	8.6
95.04952	1.1
95.08604	5.4
97.06608	0.8
105.07019	5.3
107.08580	5.5
109.10169	1.6
111.08089	1.1
117.07038	2.6
119.08594	4.0
121.10164	4.9
123.11717	1.0
129.06998	1.5
131.08591	3.7
133.10144	4.1
135.11713	3.0
141.06967	0.7
143.08607	1.2
145.10117	4.8
146.11763	36.2
147.11740	2.6
155.08592	0.8
157.10196	1.6
158.09546	0.6
159.11732	1.7
161.13376	1.7
171.11732	1.3
173.13287	1.9
175.14807	1.0
177.16415	1.0
185.13208	1.0
187.14807	2.9
199.14667	1.5
223.14998	0.7
246.09363	0.7
301.63110	0.7
308.46439	0.7
398.58395	0.7
524.44489	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28680	0.4
55.05507	1.6
57.07071	0.5
65.03930	0.7
67.05502	8.0
69.07066	2.6
70.53177	0.4
70.74545	0.7
79.05491	6.0
81.07055	6.7
83.08607	0.8
85.06529	0.8
86.09703	100.0
87.10040	0.8
88.11271	1.8
91.05478	7.8
93.07034	6.0
95.04955	0.8
95.08605	4.3
97.06539	0.9
103.28304	0.5
105.07018	4.9
107.08600	4.0
109.10152	1.7
115.05439	0.4
117.07025	3.0
119.08590	4.8
121.10149	5.3
123.11687	0.7
129.07027	2.0
131.08560	4.3
133.10126	4.8
135.11687	2.9
141.06934	0.6
143.08563	2.0
145.10088	4.7
146.11757	57.0
147.11699	2.3
149.09703	0.5
149.13269	1.5
155.08537	0.9
157.10098	2.1
159.11681	2.8
161.13257	1.7
163.11160	1.2
163.14847	1.0
169.10094	1.3
171.01274	0.5
171.11682	2.3
173.13266	1.9
175.11067	0.5
175.14761	1.2
177.12752	0.7
183.11687	1.1
185.13222	2.3
187.14777	1.1
189.12833	0.6
189.16389	1.1
195.11494	0.5
197.13266	0.7
199.14781	1.1
201.16394	1.0
203.17940	0.9
211.14780	1.0
213.16342	0.7
215.17882	0.8
225.16388	0.6
227.17990	0.5
229.19566	0.6
239.17813	0.9
241.19504	0.7
243.17348	0.5
243.21075	0.6
255.20956	0.6
305.14844	0.4
312.98810	0.4
403.33389	0.7
421.34531	1.5
506.43076	0.7
555.96484	0.4
566.45007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.268
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05523	0.4
59.19584	0.4
61.02921	0.8
67.05511	1.8
69.03427	0.7
69.07082	0.5
69.44910	0.7
69.45316	1.5
69.57706	0.3
71.04956	0.4
74.88534	0.4
76.91793	0.4
79.08436	0.4
81.07074	1.3
85.02924	1.6
91.05511	0.6
93.07087	0.6
97.02911	0.7
97.23042	0.4
98.23479	0.7
105.07012	0.5
107.08627	0.7
109.10147	2.1
119.08607	1.0
127.03910	0.6
135.04428	0.9
147.11624	0.5
203.18033	0.6
219.41354	0.5
353.57819	0.4
413.17917	2.2
483.22263	0.7
585.26923	100.0
586.27161	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44142	0.3
53.03957	0.3
56.78085	0.3
67.05515	0.6
69.24551	1.8
69.72796	0.4
70.06606	0.5
79.05478	0.4
81.03413	0.7
81.07072	0.8
85.02924	0.5
91.05493	0.8
93.07054	0.5
95.04987	0.6
95.08638	0.9
105.07021	0.5
107.08670	0.4
109.02889	0.4
109.10145	0.4
119.08665	0.4
120.08121	0.9
121.06515	0.6
137.06023	1.4
147.04420	0.3
147.11728	0.4
149.05980	0.6
151.07614	0.4
177.08870	0.4
181.05103	0.4
181.06622	0.4
185.04245	0.3
201.03784	1.0
209.08115	0.5
243.10222	0.3
247.44812	0.3
305.08545	0.8
319.10001	0.4
337.06995	0.7
347.09628	1.2
357.16513	0.4
363.08914	6.8
365.10730	1.1
370.05215	0.4
393.18066	0.5
423.23376	0.7
585.12769	9.6
585.29034	100.0
586.12726	0.9
586.29529	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01865	4.1
55.05510	19.3
57.03422	1.2
57.07068	1.5
59.04971	0.5
65.03936	1.7
67.05502	23.8
69.03428	2.0
69.07066	12.3
69.07438	0.6
69.12376	3.3
71.04984	2.0
77.03925	0.9
79.05494	20.8
81.03412	6.3
81.07056	29.8
83.04978	5.8
83.08617	19.0
85.06545	1.0
85.42902	0.4
86.09692	1.4
89.06068	0.6
91.05476	24.7
93.07044	21.9
95.01347	1.0
95.04967	20.8
95.08602	18.1
97.06524	3.9
97.10166	3.2
98.23425	1.1
99.08088	0.8
103.05454	0.5
105.04548	1.5
105.07030	22.8
105.07740	1.1
107.04948	10.1
107.08590	15.4
109.06519	8.0
109.10155	6.1
111.08080	5.8
117.07027	7.9
119.08585	17.8
121.06498	6.8
121.10141	10.5
121.10983	0.8
123.08073	4.7
123.11722	1.9
125.09619	3.8
128.06160	0.7
129.07014	3.9
130.07808	0.7
131.08571	12.4
133.06508	2.0
133.10129	14.9
134.10461	0.6
135.08066	4.5
135.11691	5.6
137.09628	3.3
137.13211	0.8
139.11197	1.1
141.07002	1.1
142.07753	0.5
143.08534	3.4
145.06477	1.9
145.10129	15.5
147.08058	3.5
147.11696	10.9
149.09612	13.5
149.10806	0.7
149.13272	2.3
151.11142	4.1
154.07799	0.6
155.08571	2.0
157.10120	2.9
159.08110	0.9
159.11694	8.9
161.09631	2.3
161.13271	3.5
163.11177	17.2
163.14803	1.2
165.09167	0.5
165.12769	3.7
169.10133	2.3
171.11703	2.9
173.09599	4.1
173.13272	4.6
175.11212	2.8
175.14696	1.2
177.12715	2.7
183.11732	2.5
185.13264	1.1
187.11198	2.5
187.14845	1.7
189.11198	2.7
189.12737	1.1
189.16231	0.8
191.10730	1.3
191.14288	2.0
193.12260	1.0
197.13197	2.4
199.14874	1.0
201.12737	2.1
205.12273	1.6
207.13872	0.8
209.11711	0.7
211.14761	1.0
213.16412	1.1
215.14255	1.1
215.17921	1.3
219.13837	2.0
219.17432	0.6
223.13286	11.3
223.87682	0.6
229.19521	3.0
231.17152	0.5
233.15404	0.6
233.18944	0.6
237.14742	0.6
239.17955	5.4
247.20586	2.8
257.18997	12.7
273.18488	0.6
275.20053	100.0
276.20383	2.4
293.21094	59.9
294.21448	1.8
326.86462	0.6
390.80630	0.6
549.39124	1.3
567.40143	1.6
585.27234	3.9
585.41565	1.9
604.01892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01870	3.1
55.05265	0.6
55.05511	10.6
57.03425	1.6
57.07064	1.6
65.03926	1.1
67.05502	21.2
69.03423	2.1
69.06705	0.8
69.07061	9.6
69.32507	1.9
71.04982	2.4
71.08615	0.8
77.03897	0.9
79.05041	1.1
79.05490	17.7
81.03414	2.5
81.07054	41.4
82.07404	0.8
83.04978	5.4
83.08620	7.1
85.06530	1.8
86.09693	8.8
87.10051	0.5
89.06029	1.1
91.05476	19.2
93.07041	20.7
95.04971	9.2
95.08604	18.0
97.06514	4.0
97.10184	2.5
98.22964	2.1
99.08076	0.9
103.05450	0.5
105.04503	1.0
105.07024	25.3
107.04953	7.3
107.08588	14.6
109.06515	15.6
109.10143	7.0
111.08066	4.2
111.11617	0.5
113.09692	0.7
115.05422	0.7
117.07012	8.6
117.53377	0.5
119.08579	21.5
121.06496	8.1
121.10145	12.3
123.07227	1.0
123.08066	7.5
123.11717	4.6
125.09615	1.8
129.06998	3.4
129.70380	0.5
130.07828	0.6
131.08559	15.0
132.10184	3.2
133.06560	2.6
133.08592	0.9
133.10129	17.7
135.08066	5.6
135.11668	6.0
137.09619	4.0
137.13229	0.9
139.07553	0.7
141.07028	0.7
142.07863	0.6
143.08571	2.9
145.06497	1.4
145.10115	14.4
146.11755	1.0
147.07997	2.9
147.11676	17.4
149.09612	7.2
149.13246	5.3
151.07460	0.6
151.11179	3.3
155.08551	2.1
157.10136	4.7
159.08069	2.0
159.11674	8.5
161.09628	3.7
161.13245	4.5
163.11162	6.9
163.14812	1.9
165.12726	4.6
167.08566	0.7
169.10123	2.5
171.11705	2.7
173.09625	2.1
173.13239	5.3
175.11171	3.1
175.14856	1.5
177.12772	2.1
179.14316	0.9
183.11598	3.0
185.13210	2.0
187.11163	2.4
187.14830	1.7
189.11107	0.7
189.12743	1.3
189.16409	1.1
191.14268	2.3
193.12213	1.8
195.11702	0.7
197.13348	2.5
199.14836	1.6
201.12770	2.8
205.15860	1.2
207.13736	1.6
211.14880	0.7
213.16365	1.4
215.14326	1.6
215.17941	1.9
219.13803	2.0
223.13281	2.9
229.19452	3.8
231.17513	0.8
233.15295	1.2
233.19153	0.8
237.14749	0.6
239.17943	4.0
247.20578	4.5
257.18973	14.9
273.18433	1.4
275.20047	100.0
276.20413	3.4
291.19473	1.2
292.48047	0.5
293.21091	30.4
294.21637	0.8
399.12589	0.6
439.32126	0.8
467.31305	0.7
531.38220	1.5
549.39447	3.7
567.40405	7.7
585.41614	5.5
586.40906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74865	1.8
53.03941	4.6
55.01874	12.6
55.05508	43.0
55.05778	2.8
57.03442	4.7
65.03941	4.5
67.05502	48.8
69.03425	5.9
69.07062	25.9
71.04987	5.3
77.03893	1.6
79.05489	55.3
81.03417	7.2
81.07054	100.0
83.04975	10.0
83.08615	24.4
83.09090	2.2
85.06524	3.9
91.05476	54.2
92.05801	2.2
93.07043	46.2
95.04974	20.7
95.08608	32.5
97.06524	7.0
97.10161	30.7
98.23085	11.0
99.08098	1.7
102.07329	1.5
103.05441	1.7
105.04519	3.4
105.07024	51.6
106.07362	2.2
107.04950	9.4
107.08596	29.4
109.06510	26.9
109.10133	15.7
111.04428	8.3
111.08090	7.3
115.05476	3.1
117.07020	21.9
119.08575	55.0
121.06503	7.2
121.10133	17.8
123.08052	11.6
123.11681	3.8
125.09622	21.6
128.06233	3.6
129.07008	13.0
130.07776	3.0
131.08565	26.3
132.08954	1.6
133.06523	3.7
133.10121	33.5
135.08020	8.8
135.11682	12.8
137.05951	1.9
137.09608	3.0
140.96947	1.5
141.06989	2.6
143.08554	14.8
145.06505	4.5
145.10121	25.9
146.63454	1.5
147.08037	12.3
147.11673	29.3
149.09647	8.7
149.13261	6.9
151.11183	3.3
153.09119	5.5
153.12767	5.3
155.08563	5.8
157.06615	1.9
157.10121	15.0
159.08002	3.1
159.11696	17.3
161.09618	6.6
161.13251	14.6
163.11185	11.1
163.14886	2.6
165.09106	3.7
165.12733	2.3
167.08638	2.3
169.10127	6.1
171.10370	2.5
171.11691	8.9
173.09657	4.8
173.11862	2.4
173.13283	7.5
175.11165	3.6
175.14839	5.9
177.12747	3.3
181.10153	2.3
181.12251	4.3
183.11745	4.3
185.09630	3.4
185.13249	11.3
187.11145	3.3
187.14735	2.5
189.11220	20.0
189.12732	2.5
189.16296	1.7
191.10614	4.6
193.12257	3.0
195.11697	3.7
195.13673	1.8
197.13237	2.3
199.14856	3.6
201.16397	2.5
211.14821	1.8
213.16383	2.4
215.17979	1.8
223.13228	5.7
223.15097	2.6
227.12759	6.1
227.17821	2.6
231.17448	1.8
231.21024	3.3
233.15521	2.1
235.14790	1.9
241.19542	10.1
245.18915	2.2
257.19073	4.6
259.20551	32.8
259.23151	2.4
263.19910	1.8
273.18536	20.3
274.18793	1.9
275.20084	24.2
276.20367	2.1
277.21640	6.0
289.21564	2.0
291.19562	52.9
292.20004	2.0
293.21115	7.4
309.20392	2.8
310.58234	1.8
341.24597	2.0
357.27921	2.0
395.29324	2.4
399.28986	1.9
413.30344	4.2
421.30997	2.2
457.33270	2.6
461.32770	1.7
470.47498	2.2
513.36688	2.7
531.38275	3.5
541.27814	4.2
549.39178	7.5
567.40417	15.8
585.41174	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88687	0.4
61.02910	1.3
62.75325	0.4
67.15585	0.5
69.03437	0.7
81.37203	0.6
82.81535	0.5
83.04990	0.6
97.02891	80.1
98.03199	0.8
98.22638	1.4
111.04410	0.5
118.15599	0.5
152.72995	0.5
153.05499	3.0
175.06033	1.2
206.07242	0.7
233.05984	1.3
234.06679	2.3
235.07567	0.8
248.08279	1.4
249.09114	1.8
251.10764	0.6
262.06268	2.2
263.07022	1.6
264.07767	0.7
275.07138	0.6
276.07892	0.7
277.08560	9.3
278.09375	1.3
279.10129	2.4
290.05801	1.3
291.06561	2.3
292.07269	0.6
294.08893	0.7
295.09555	0.5
305.08032	10.0
305.11224	0.9
306.08588	0.9
307.09579	2.8
309.11230	1.4
319.06012	2.9
320.06931	0.6
323.09076	1.6
325.10892	0.6
325.65170	0.5
333.07584	12.5
334.07718	0.6
335.09106	2.9
336.06815	0.5
337.10651	6.3
351.08600	9.5
363.08569	13.8
381.09662	100.0
382.10034	3.8
459.11090	0.6
537.14093	0.6
552.86603	0.5
555.15088	2.8
586.28320	1.4
587.27771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01868	1.6
55.05504	1.3
56.56898	0.7
57.03425	2.1
61.02912	3.0
62.09016	0.7
69.03432	7.4
69.07062	8.6
69.18673	3.7
71.04987	1.5
73.02914	1.7
81.03405	3.3
81.07018	0.9
83.05006	0.8
85.02905	27.3
87.04469	1.0
91.03954	1.3
91.05484	1.4
93.03432	0.8
97.02887	9.7
98.22650	1.0
99.04469	1.7
102.32986	0.8
103.05416	0.8
105.03402	1.0
105.07011	0.8
106.04229	1.1
109.02872	3.5
115.05441	3.3
120.08121	0.8
121.06494	1.7
127.03906	4.9
129.07007	1.1
131.04942	2.5
133.02849	3.1
135.04396	0.9
137.05966	2.7
141.06993	8.7
143.04916	22.2
144.05499	0.9
145.04939	7.7
149.06003	2.4
157.06508	12.7
159.04424	2.0
161.05963	1.2
163.06044	2.4
163.07561	2.5
166.07834	1.8
167.08501	1.4
169.06519	2.3
171.04393	8.3
171.08020	1.1
173.06026	1.8
177.05432	1.4
180.08670	3.7
181.10080	9.2
182.10541	1.2
183.08086	1.5
185.05946	5.7
185.09595	2.6
187.03761	1.2
189.05458	22.5
194.07271	2.3
197.05991	0.9
198.06783	3.2
199.07581	5.8
199.11172	30.6
201.05453	2.1
209.07983	2.9
209.09630	12.9
212.08260	2.2
227.10660	83.4
228.11040	3.3
245.11729	100.0
246.12196	3.6
251.29036	0.7
257.11722	1.4
287.12576	1.1
339.12213	1.1
351.10712	2.2
371.14917	1.3
407.17258	3.6
586.32495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69880	0.7
53.03928	1.1
55.01859	1.8
65.03926	2.1
67.05497	1.7
69.03432	1.6
69.49609	3.0
70.06581	0.8
75.04482	3.1
75.94550	0.7
78.04713	3.2
79.05485	4.0
80.21266	0.5
81.07023	0.9
84.08177	0.5
85.02909	4.7
86.09678	1.2
89.03897	0.8
89.06008	1.4
91.04962	0.8
91.05489	11.0
93.03405	11.9
93.07035	4.9
95.04968	6.0
95.08591	1.0
97.02876	1.0
97.06525	2.2
98.22741	0.9
103.05437	6.6
105.04507	1.8
105.07031	4.9
106.04170	26.6
107.04936	2.5
109.06519	0.9
115.05428	1.1
117.03400	1.2
118.04187	0.7
119.04938	1.8
121.06503	27.1
123.04421	0.9
123.08067	0.7
124.05164	0.7
125.05989	7.0
131.04912	2.7
133.02835	4.7
133.06483	5.1
134.03607	3.9
135.04431	0.7
137.05980	8.4
138.06747	0.9
139.07518	2.6
145.02847	1.1
145.04916	0.8
147.04420	2.7
148.05176	2.8
149.05972	41.1
151.07535	2.6
152.08340	0.9
153.05457	2.0
153.07994	1.0
153.09106	11.7
159.04353	0.7
161.05968	8.2
163.07527	4.5
165.05524	1.1
166.06274	1.5
167.07051	4.4
169.08604	1.4
175.07556	1.7
177.05455	20.5
179.07001	1.4
181.08585	19.0
181.10104	1.3
182.08829	0.7
185.18135	0.6
187.07495	2.7
189.09076	1.7
191.07043	12.4
193.08594	7.8
195.77815	0.6
197.41853	0.8
209.08076	100.0
210.08371	1.9
217.08624	3.7
227.12782	3.8
304.08826	0.8
341.13770	2.7
353.13647	1.6
371.14926	2.1
388.78485	0.7
504.07062	0.7
520.85248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47488	0.9
50.83152	0.9
52.21844	0.8
55.01869	2.4
55.05518	0.9
56.08038	0.9
56.49685	1.1
57.03434	2.2
61.02908	3.4
69.03425	8.3
69.06757	1.1
69.07072	10.7
70.06573	1.9
71.04950	1.4
71.06905	1.1
77.82499	0.8
78.17537	0.8
81.03435	2.4
85.02901	29.0
86.09702	1.1
91.03965	1.2
91.05473	2.2
92.48902	1.0
95.04982	1.1
95.54920	1.0
97.02900	9.6
99.04456	1.6
100.51604	1.0
100.88004	1.1
103.05453	2.1
105.03388	1.9
106.04179	2.4
109.02880	2.7
115.05459	4.0
121.06496	2.8
127.03901	6.2
129.07004	1.2
131.04939	2.9
133.02818	2.3
137.05965	3.5
141.06964	9.5
143.04909	25.3
145.04939	9.9
147.04369	1.9
149.05969	3.7
153.09123	1.4
157.06479	13.7
157.10097	2.3
159.04385	2.0
161.05998	2.6
163.06065	1.7
163.07533	5.2
165.07036	1.7
166.07759	2.6
169.06404	1.4
171.04420	9.6
171.08015	2.2
173.05954	1.0
177.05486	2.8
180.08708	2.8
181.10110	8.1
183.08047	1.2
185.05971	6.2
185.09650	2.8
189.05458	25.6
191.07028	1.0
193.08745	1.0
194.07295	4.3
198.06752	2.8
199.07596	7.1
199.11179	33.1
200.11398	1.1
201.05550	1.4
209.08009	3.8
209.09637	14.9
212.08333	1.9
223.13091	0.9
227.10660	94.9
228.11017	3.5
245.11723	100.0
246.11955	1.8
255.10219	1.0
257.11581	2.3
291.09924	1.1
351.10849	1.7
407.16904	5.0
473.99582	1.1
586.32532	1.6
597.30383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03931	0.8
55.01870	0.6
61.02919	0.8
67.05500	0.5
69.03426	1.4
69.13866	1.7
69.14272	0.8
77.03944	0.5
78.04716	1.1
79.05489	3.1
81.03414	0.6
81.07058	0.5
83.13188	0.4
85.02895	4.5
90.04691	0.9
91.05471	4.4
93.07005	0.7
94.04181	1.0
95.04954	1.3
97.02883	1.8
103.05461	5.1
105.03397	0.6
105.07008	2.6
106.04173	1.7
107.04958	10.1
108.05764	1.9
109.06499	0.9
115.05457	1.5
117.06240	0.4
117.07010	1.6
118.04141	0.4
119.04951	0.6
119.08580	0.5
121.06521	3.3
122.03645	3.5
123.04444	3.5
123.08081	1.3
124.05202	2.0
127.03867	1.1
128.06187	0.9
129.07010	0.9
131.04922	9.3
131.05891	0.6
131.08636	0.8
132.05685	0.4
133.06480	4.0
134.03592	0.6
135.04382	2.2
135.08060	2.3
136.05203	3.8
137.05969	55.4
138.06744	0.7
141.06950	0.9
143.08626	0.7
144.05670	0.7
145.05064	0.6
145.06471	3.4
145.10071	0.6
146.07248	5.1
147.04404	0.7
147.08067	2.5
148.05193	3.0
149.05977	1.8
150.06746	2.2
151.07533	100.0
152.04704	1.1
152.07903	1.3
153.05498	0.7
157.06456	1.5
158.07230	1.0
159.08012	1.3
160.05215	0.6
160.08818	0.7
161.05998	3.4
162.06654	0.6
163.07536	19.5
164.08244	0.8
165.09106	9.5
166.06255	4.4
167.07031	62.4
168.07465	0.7
171.08012	1.9
171.16020	0.4
172.08751	0.6
173.05946	0.9
173.09621	1.3
174.06793	1.3
175.07529	3.9
176.08284	2.1
177.09097	26.9
179.07028	1.0
179.10684	1.1
181.08586	30.5
182.09021	0.8
186.06880	0.5
186.10362	0.9
187.07558	2.6
188.08350	2.9
189.09099	5.8
190.09869	1.3
191.07057	0.6
191.10695	2.4
192.07777	0.7
193.08614	4.0
195.10158	1.5
201.09084	4.3
202.09901	2.1
203.10674	4.7
205.08667	0.7
205.12231	0.7
206.09380	1.0
207.10165	4.2
209.11702	0.5
216.11281	0.8
217.12244	5.2
219.10046	2.0
221.11630	2.5
232.62796	0.4
233.11682	3.9
235.13274	1.2
237.11235	1.0
247.13344	1.2
251.12730	1.4
261.09100	0.7
265.14456	0.6
266.65536	0.4
276.11307	0.7
293.11514	0.5
307.13275	1.9
308.14087	1.6
324.13611	0.4
339.15891	16.8
340.16495	1.3
356.16116	5.3
357.16483	0.6
371.18506	49.5
372.18857	1.9
389.19568	44.8
390.19769	2.1
407.20544	1.1
467.88046	0.4
488.22266	0.5
533.65692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21117	0.3
62.59521	0.3
65.03938	0.3
67.05516	0.4
67.53459	0.3
69.24293	2.1
77.03950	0.7
78.04723	1.0
79.05482	2.4
80.06282	0.5
81.03426	0.4
81.07052	0.5
83.08607	0.4
85.02908	0.9
90.04681	0.5
91.05482	2.9
94.67407	0.3
95.04974	1.1
95.08607	0.6
98.22717	0.7
103.05466	5.2
105.07036	1.8
106.04187	1.5
107.04951	8.6
108.05727	2.2
109.06528	1.2
115.05426	1.2
117.07014	1.2
119.04890	0.5
119.08572	0.6
121.06503	2.1
121.46474	0.3
122.03664	0.5
123.04436	3.0
123.08057	1.0
124.05206	1.6
127.56075	0.3
129.06937	0.7
131.04919	9.2
131.08595	0.6
132.05721	0.4
133.06494	0.9
134.03615	0.4
134.07289	0.4
135.04424	1.6
135.08032	1.9
136.05186	2.2
137.05980	3.7
141.06976	0.9
143.04935	0.7
144.05666	0.5
145.06500	1.9
146.07257	4.0
147.08044	1.4
149.06046	1.6
150.06766	1.7
151.07539	100.0
152.04643	1.2
152.07870	1.1
153.05470	1.1
157.06461	0.8
158.07289	1.1
159.08076	1.4
160.05128	0.4
160.08893	0.5
161.06015	1.8
161.09572	0.4
162.06760	0.7
163.07535	18.1
165.09119	8.1
167.07033	62.5
168.07323	0.7
170.59924	0.3
171.08046	0.5
172.08804	0.8
173.06039	0.5
173.09529	0.8
174.06708	0.5
175.07530	1.6
176.08304	1.0
177.09103	25.6
179.07051	0.7
179.10622	1.3
181.08589	1.3
186.10376	0.9
187.07568	2.0
188.08281	1.3
189.09088	3.8
191.10638	2.0
192.07729	0.6
193.08528	2.0
195.10229	0.4
201.09096	3.9
202.09860	1.7
203.10713	2.1
207.10123	0.8
214.18036	2.3
217.12270	4.4
219.10150	1.7
221.11665	1.2
233.11662	2.0
235.13208	1.3
237.11188	0.8
244.38365	0.4
248.12018	0.4
251.12787	1.2
279.13705	0.4
307.13297	1.8
308.13953	1.0
339.15903	15.5
340.16031	0.5
356.16037	1.8
371.18518	28.0
372.18735	0.8
389.19565	26.7
390.19827	1.1
512.76477	0.4
586.42584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61577	0.4
65.83231	0.3
66.04701	0.4
69.20805	0.7
69.21214	1.2
70.09991	0.3
79.05482	1.0
84.40872	0.3
85.02898	0.9
91.05472	2.2
94.04180	2.0
103.05457	1.0
105.07029	2.1
106.04230	0.3
107.04952	1.0
109.06535	1.0
111.04450	0.4
115.05441	0.4
117.07019	0.5
119.04981	0.4
121.06508	1.1
122.03640	6.0
123.08051	0.6
127.03932	0.4
128.06203	0.5
129.07001	0.9
131.04935	2.1
133.06494	5.1
135.07950	0.5
136.05231	1.6
137.05971	100.0
138.06259	1.9
139.07585	0.6
141.96397	0.3
143.08568	1.8
145.06477	1.5
147.04437	0.4
147.08037	2.5
148.05183	3.9
149.05969	0.9
150.06767	0.5
151.03923	0.6
151.07520	5.0
157.06459	1.4
159.08096	0.6
161.05962	2.5
162.06693	1.0
163.07547	3.7
164.08412	0.6
165.05458	0.7
165.09145	2.1
166.06247	8.0
167.07004	1.4
171.08032	1.8
173.05952	0.7
174.06746	1.1
175.07520	2.4
176.08313	2.7
177.09070	3.3
179.07027	0.8
180.07771	0.5
181.08588	56.6
182.08952	1.2
187.07544	1.0
188.08266	1.9
189.09070	4.2
190.09865	1.1
191.07051	0.5
192.07797	0.7
193.08595	3.5
195.10103	1.3
200.08469	0.5
201.09067	1.2
202.09872	0.8
203.07103	0.4
203.10677	5.2
204.11261	0.6
205.08588	0.8
206.09415	0.9
207.10162	5.9
216.11450	1.7
217.08524	0.5
217.71007	0.3
218.09325	0.4
219.10138	1.0
221.11711	1.4
233.11661	2.6
235.13158	0.4
242.46051	0.4
247.13368	2.1
251.12749	0.6
261.09045	0.5
265.14154	1.7
277.12381	0.3
307.13303	0.7
308.13931	0.8
321.11136	0.9
324.13690	0.4
339.15808	3.0
340.16821	2.2
341.13776	0.4
356.16180	5.9
371.18500	34.2
372.18756	2.1
389.19559	29.5
390.19852	1.4
407.20377	0.7
612.22003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22463	1.8
55.01872	4.2
55.05508	3.9
57.07083	2.8
60.36002	2.1
64.80456	1.9
65.80408	1.6
67.05500	23.8
69.07075	5.8
69.58526	6.8
69.58853	1.9
74.40782	2.0
79.05495	20.0
81.04128	1.8
81.07053	27.2
82.07325	2.6
83.04970	3.6
83.08639	4.1
85.06554	2.3
85.19936	2.0
86.09704	100.0
88.11261	2.0
91.05466	20.9
93.07049	22.5
95.04957	3.6
95.08597	12.3
97.06538	2.7
105.07028	21.9
107.04942	2.6
107.08573	14.6
109.06512	6.4
109.10157	5.1
117.07010	6.1
119.08598	16.2
120.09026	1.9
121.06521	3.3
121.10168	11.1
122.06834	2.7
123.08061	4.5
129.06990	5.5
131.08577	12.0
132.10204	41.2
133.10104	12.8
135.11711	5.6
137.87630	2.0
143.08565	5.6
145.10153	11.3
147.08055	2.7
147.11694	6.8
149.09639	3.7
149.13315	2.6
155.08583	3.9
157.10129	8.2
159.11699	7.0
161.13246	5.3
163.11151	4.8
163.14774	2.3
164.11461	2.2
171.11688	6.8
173.13260	3.9
181.10101	2.1
185.13287	2.9
188.89503	2.1
195.11699	2.6
199.14847	2.9
201.16278	3.5
204.74046	1.9
213.16464	2.2
225.16359	2.5
257.19089	2.4
275.20050	19.9
276.20306	20.6
293.21054	5.7
294.21408	6.9
419.33038	2.4
522.42804	3.7
550.41376	1.9
568.41455	3.4
586.44312	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01873	2.3
55.05515	7.3
57.07059	2.6
67.05512	15.8
68.05836	1.6
68.88787	1.2
69.07072	6.9
69.13213	4.6
69.13618	2.8
71.05000	5.4
79.05498	18.3
80.05850	1.3
81.03419	1.3
81.07059	18.2
82.07363	1.5
83.04988	1.9
83.08626	4.1
85.06535	3.1
86.09709	100.0
88.11269	1.8
91.05482	23.5
92.05837	1.6
93.07050	16.1
95.04974	4.7
95.08589	9.6
97.06528	1.9
97.10181	1.6
98.22721	2.7
105.07046	15.9
105.55331	1.1
107.04961	3.0
107.08604	9.9
108.08900	1.3
109.06540	3.0
109.10185	5.3
111.08121	1.5
115.05468	1.1
117.07014	10.2
119.08576	13.2
120.08922	1.6
121.06523	1.4
121.10150	8.3
123.08078	1.4
123.11719	1.4
123.27497	1.2
125.09612	1.3
128.06212	1.2
129.07013	6.7
131.08569	9.1
132.10208	43.3
133.10141	9.4
135.08020	1.7
135.11687	5.1
141.06943	3.1
143.08525	5.4
145.10110	10.5
147.11653	5.4
149.09682	2.8
149.13229	2.3
155.08591	3.0
157.10132	4.8
159.11720	8.7
161.13277	4.4
163.11169	1.9
165.12769	2.0
167.08568	1.5
169.10185	3.7
170.10518	1.2
171.11717	5.1
173.13275	4.4
175.14825	2.9
177.12750	2.8
181.10117	1.9
183.11714	3.1
185.13277	4.2
187.11269	1.3
187.14803	2.5
194.43425	1.0
195.11623	1.4
197.13200	1.9
199.14859	2.9
201.16441	3.3
211.14891	2.2
225.16354	1.6
237.16148	1.2
239.17969	2.0
253.19397	1.4
257.19147	1.6
275.20001	5.4
276.20428	3.1
293.21182	2.5
294.21451	1.6
331.95175	1.2
419.33365	2.4
467.21259	1.7
522.42834	1.5
568.41766	1.3
572.39093	1.1
586.42859	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
55.67629	0.5
64.03503	0.5
67.05499	6.1
67.15541	0.5
69.07061	1.9
79.05487	4.3
79.33640	0.5
80.98524	0.5
81.07053	7.0
83.08601	0.8
86.09696	100.0
87.10014	0.8
88.11250	1.4
91.05469	4.5
93.07042	5.3
95.08595	4.0
105.07020	2.8
107.08593	2.8
109.10155	1.6
111.08039	0.6
113.78839	0.5
117.06980	1.3
119.08542	2.9
121.10151	4.4
123.11722	1.1
123.89606	0.4
129.06972	0.6
131.08517	2.6
133.10129	2.7
135.11719	2.6
143.08548	1.1
145.10123	2.1
146.11745	64.0
146.63289	0.4
147.11848	1.1
149.13303	1.1
152.50336	0.5
157.10173	0.9
159.11694	1.2
161.13272	1.8
163.14897	0.6
173.13206	0.9
175.14848	0.7
177.16286	0.7
199.14812	0.6
201.16350	0.5
203.17940	0.7
214.89644	0.6
217.15768	0.5
225.78424	0.5
231.21143	0.9
283.49213	0.5
423.36307	0.8
508.45047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
56.05991	0.3
56.51767	0.2
57.07079	0.8
65.03949	0.6
67.05505	7.9
67.79978	0.3
69.07072	2.7
69.72097	0.5
69.72498	0.9
71.08622	0.6
79.05492	6.5
81.07056	6.8
83.08618	1.2
85.06561	0.9
86.09707	100.0
87.10041	1.0
88.11274	1.4
91.05480	7.2
93.07051	6.8
95.04974	1.1
95.08610	4.8
97.06528	0.8
97.10166	0.6
105.04517	0.5
105.07032	4.8
107.08598	4.1
109.10159	1.9
114.98917	0.3
117.07035	2.5
119.08589	4.0
121.10156	4.9
122.10561	0.3
123.11693	0.7
124.72643	0.2
129.07014	1.1
130.28500	0.3
131.08574	4.7
133.10124	4.1
135.11682	2.9
136.79539	0.3
137.13237	0.6
141.06961	0.4
143.08549	1.3
145.10135	3.7
146.11761	64.9
147.11681	2.5
149.09605	0.5
149.13237	0.8
151.14835	0.5
155.08546	0.5
157.10092	1.6
159.11713	2.2
161.13264	1.5
163.11159	0.9
163.14864	0.7
165.16420	0.3
169.10115	0.3
171.11697	1.8
173.13274	2.0
175.14832	1.1
177.12714	0.7
177.16437	0.4
183.11635	0.4
185.13263	1.5
187.14793	0.7
189.12729	0.4
189.16393	0.7
191.17953	0.6
197.13194	0.4
199.14861	1.2
201.16331	0.7
203.14307	0.6
203.17982	0.3
205.19574	0.6
211.14909	0.3
212.12880	0.3
213.16461	0.5
215.18005	0.4
217.15878	0.6
217.19473	0.3
219.20923	0.3
221.79938	0.3
225.16501	0.5
227.17964	0.4
231.21034	0.6
236.20175	0.3
239.17987	0.3
242.98854	0.3
243.21298	0.3
245.22606	1.0
248.20000	0.3
251.18005	0.3
254.17477	0.3
257.22665	0.4
259.24194	0.6
285.25848	0.4
322.23422	0.3
325.28729	0.4
339.30316	0.4
405.35220	0.6
423.36008	1.9
441.37296	0.3
508.44940	1.1
526.46143	0.4
568.46680	0.6
586.48328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
56.96553	2.1
60.96642	0.9
60.99998	0.7
65.75296	0.6
66.18623	0.7
67.16045	0.7
69.57126	0.9
69.57462	3.1
72.35984	0.8
77.03929	1.2
79.05505	5.1
81.03453	0.7
91.05470	3.1
93.07035	0.7
95.04948	2.4
98.23419	1.6
98.91955	4.0
98.97581	16.1
99.05613	0.8
100.11284	0.8
101.10410	0.7
103.05450	1.7
105.03374	1.4
105.04495	1.7
105.07000	1.8
107.04924	1.5
109.06511	0.9
115.05411	0.9
116.97867	1.0
116.98617	8.8
117.06992	2.5
119.04917	0.8
120.05750	1.3
121.06501	1.7
128.06213	2.7
129.06996	6.4
131.04947	2.4
131.08539	0.8
133.06502	2.0
134.99677	3.1
135.04408	100.0
136.05106	2.4
137.05974	3.3
138.02203	0.7
138.06760	1.3
140.00177	1.2
143.04893	1.1
143.08553	3.3
145.06482	2.5
147.08015	0.8
148.05185	13.6
149.05992	3.5
151.03917	1.2
151.07550	4.8
152.08264	0.7
157.06479	4.7
159.08035	1.8
160.05136	0.8
161.05957	2.9
163.07542	2.7
165.05484	1.5
165.09087	0.8
166.06248	8.3
168.07814	1.5
171.08072	3.4
172.05313	0.8
173.05992	2.8
173.09464	0.8
175.07541	3.4
176.08289	2.5
177.08978	1.3
180.07791	1.2
181.08588	81.5
182.08968	1.4
183.10185	1.5
185.05946	0.7
187.07524	15.1
188.08253	1.6
189.09117	2.2
190.09860	1.9
195.10143	4.9
200.08336	1.0
201.09073	6.2
202.09854	5.2
203.07024	2.0
203.10669	1.1
207.10132	4.0
216.11491	2.1
217.08588	1.0
218.09398	1.8
219.10127	1.8
221.11740	1.5
227.02290	1.9
232.10983	1.0
233.11705	7.6
247.13211	5.2
261.04401	0.9
265.03809	10.0
268.02762	0.8
283.04886	14.8
284.05667	0.8
306.06604	0.8
336.08932	1.1
338.15067	1.3
354.14658	2.7
369.16943	14.4
437.08914	1.6
452.10938	1.5
455.14484	1.0
467.13751	10.4
470.12500	1.8
473.14896	1.2
485.14771	17.4
503.15775	2.1
526.17432	1.9
527.15851	28.8
528.15967	1.2
532.69159	0.8
545.16730	1.0
568.18658	1.0
587.17950	70.0
588.18201	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
57.09488	1.0
60.49533	0.9
62.05621	0.9
67.05502	2.8
69.07085	1.3
69.27527	1.2
69.27937	3.2
79.05509	2.0
79.25456	0.8
81.07055	5.2
82.06593	1.7
83.08631	1.8
91.05478	2.2
93.07049	2.3
95.08598	2.5
105.07021	2.7
107.08606	1.3
108.08128	1.6
109.06566	1.7
119.08551	1.9
121.10177	1.3
131.08583	1.2
133.10130	1.8
134.05959	0.9
145.10121	1.7
153.12805	1.1
158.09657	1.4
170.08281	0.9
186.12840	2.5
194.09641	1.8
196.09850	2.0
197.10779	4.3
198.11514	1.4
199.08647	1.7
201.10257	1.6
209.10725	1.8
210.11566	2.9
211.08701	1.7
211.12250	5.2
212.09406	2.1
213.10353	1.6
223.08701	2.0
223.12419	0.9
224.09357	6.2
224.12883	1.1
225.10254	4.6
225.13702	4.3
227.08080	1.0
227.11826	2.2
237.10257	2.7
238.11046	3.6
239.11772	21.8
240.12564	5.2
241.09822	1.6
241.13385	1.4
248.12912	1.1
251.11923	3.5
252.12689	1.3
253.13374	21.3
254.13826	1.1
255.14964	1.8
261.10260	0.8
265.10077	1.3
265.13205	1.8
267.15009	1.5
271.14465	2.3
274.09656	0.9
275.19962	1.3
287.10727	1.1
288.11304	1.4
288.14908	1.0
291.15033	1.1
297.12305	1.9
299.11639	2.2
301.12003	1.9
302.12799	6.9
302.16019	1.1
303.13571	2.1
303.16992	1.0
304.14359	1.6
314.13831	2.0
315.13812	3.0
316.14420	13.4
317.15170	8.0
318.16016	1.8
318.19617	1.0
327.29034	2.0
328.14572	1.2
329.16269	2.7
330.16022	7.3
331.16776	38.5
332.17297	2.3
344.17603	3.2
345.11136	1.5
346.12158	3.0
346.19113	100.0
347.19455	3.3
357.12332	1.1
360.13281	5.6
372.17191	1.9
374.15158	2.3
375.15796	12.8
390.18097	49.5
391.18686	1.1
397.16257	1.7
409.16666	1.2
419.15210	0.9
435.18436	1.7
437.23398	1.2
441.22824	1.6
449.20050	1.5
456.22198	0.9
467.21194	4.2
479.24500	1.0
481.22452	1.6
483.20572	2.1
505.22131	1.6
507.20276	1.9
509.17993	1.9
511.27103	22.6
513.25153	3.4
524.20587	1.3
525.21606	2.4
528.26794	1.3
537.25006	7.7
539.22974	9.4
543.29626	68.9
544.30060	3.5
554.24915	1.7
555.26013	11.0
569.27563	22.5
587.28534	30.5
588.28967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16010	1.9
53.03926	3.2
55.01863	4.4
55.05508	16.2
56.39116	1.8
57.03410	2.1
57.07075	13.2
67.05492	26.0
69.07064	14.2
69.25359	7.8
71.04971	2.6
79.05477	19.5
81.03411	6.9
81.07041	30.4
83.04964	6.3
83.08602	6.2
85.10170	32.1
85.79125	1.9
86.09704	3.6
91.05465	25.9
93.07034	23.4
95.04958	12.2
95.08588	24.0
97.06531	4.5
97.10160	7.4
105.07014	18.0
107.04942	11.7
107.08576	12.4
109.06516	4.5
109.10175	10.0
111.08083	6.1
113.09627	47.1
117.07014	5.9
119.08566	12.6
121.06517	4.3
121.10120	12.4
123.08031	4.8
123.11698	4.4
125.09678	3.8
129.07008	3.0
131.08524	9.9
133.10118	10.8
135.11703	5.2
145.10103	8.5
147.11639	17.5
149.09595	8.7
149.13290	3.6
151.11157	4.4
157.10086	3.2
159.11685	6.5
161.13263	6.5
163.11099	12.8
163.14734	2.7
165.11333	2.6
165.12740	45.9
165.14897	2.0
171.10307	2.0
171.11644	4.5
173.13167	3.8
175.11179	6.8
175.14708	2.1
177.12776	2.6
179.14339	3.4
221.15228	2.7
241.19461	3.0
249.22218	2.2
257.18909	6.6
259.20538	7.7
261.27460	2.2
275.20029	57.1
276.20358	3.0
277.21600	89.8
278.21790	3.6
291.19485	5.8
293.21045	22.2
295.22629	100.0
296.23047	4.2
309.20615	4.6
355.19461	2.1
385.66849	2.3
551.40411	2.4
569.41608	4.2
587.43329	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16680	0.9
55.01868	3.0
57.03438	1.9
61.02929	2.9
66.96243	1.0
67.05536	1.4
69.03430	6.0
70.06575	3.4
71.46038	1.4
72.08158	3.9
79.05486	4.3
81.03436	2.6
81.07064	2.3
82.44486	1.0
84.08177	1.7
85.02898	26.3
86.09699	3.6
88.80391	1.0
89.33712	1.0
91.05494	8.1
94.04166	1.2
95.04971	4.3
97.02892	2.7
97.06546	3.8
102.04693	3.6
103.05466	28.6
104.02934	1.1
105.07033	5.2
106.04179	3.2
107.04967	5.7
109.02887	1.6
109.06551	3.5
110.03648	1.7
111.04451	1.4
115.05457	1.4
119.04942	6.1
120.08071	1.2
121.06512	5.8
122.03638	2.1
123.04435	1.3
125.06002	19.5
127.03910	4.7
129.10272	2.1
130.04153	9.8
131.04929	96.5
132.05249	1.5
133.02835	8.0
133.06459	5.6
135.04430	5.1
137.05980	45.2
138.03070	1.4
139.07521	1.3
145.04990	2.5
146.03603	1.8
147.04404	24.2
149.05992	25.6
150.06789	9.7
151.07596	3.2
153.05470	37.1
159.04388	2.9
161.05988	22.0
162.06754	39.7
162.08037	2.3
163.03926	5.0
163.07544	100.0
164.07832	1.6
164.49094	1.3
165.05490	17.3
167.07039	9.7
175.03915	1.2
177.05464	24.8
179.07051	8.3
179.08395	1.3
182.72597	1.2
183.06520	8.3
189.05534	2.9
191.07008	1.3
193.05049	6.1
195.06532	14.9
195.08133	1.7
207.06482	1.5
211.05954	9.0
221.08006	2.3
222.06503	1.5
233.08096	3.1
235.07591	1.9
237.07620	3.4
247.07605	1.3
249.07584	3.5
263.07056	2.2
265.08890	1.2
281.08093	2.6
301.10703	6.4
305.08417	1.1
313.10724	20.1
323.09158	1.5
325.10699	10.7
327.12427	5.9
331.11816	6.2
339.12314	6.3
341.10202	27.9
355.11850	4.0
357.13284	15.7
361.12921	4.7
373.12823	25.9
375.14349	8.4
391.13794	8.6
426.29385	1.9
433.14996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16680	0.9
55.01868	3.0
57.03438	1.9
61.02929	2.9
66.96243	1.0
67.05536	1.4
69.03430	6.0
70.06575	3.4
71.46038	1.4
72.08158	3.9
79.05486	4.3
81.03436	2.6
81.07064	2.3
82.44486	1.0
84.08177	1.7
85.02898	26.3
86.09699	3.6
88.80391	1.0
89.33712	1.0
91.05494	8.1
94.04166	1.2
95.04971	4.3
97.02892	2.7
97.06546	3.8
102.04693	3.6
103.05466	28.6
104.02934	1.1
105.07033	5.2
106.04179	3.2
107.04967	5.7
109.02887	1.6
109.06551	3.5
110.03648	1.7
111.04451	1.4
115.05457	1.4
119.04942	6.1
120.08071	1.2
121.06512	5.8
122.03638	2.1
123.04435	1.3
125.06002	19.5
127.03910	4.7
129.10272	2.1
130.04153	9.8
131.04929	96.5
132.05249	1.5
133.02835	8.0
133.06459	5.6
135.04430	5.1
137.05980	45.2
138.03070	1.4
139.07521	1.3
145.04990	2.5
146.03603	1.8
147.04404	24.2
149.05992	25.6
150.06789	9.7
151.07596	3.2
153.05470	37.1
159.04388	2.9
161.05988	22.0
162.06754	39.7
162.08037	2.3
163.03926	5.0
163.07544	100.0
164.07832	1.6
164.49094	1.3
165.05490	17.3
167.07039	9.7
175.03915	1.2
177.05464	24.8
179.07051	8.3
179.08395	1.3
182.72597	1.2
183.06520	8.3
189.05534	2.9
191.07008	1.3
193.05049	6.1
195.06532	14.9
195.08133	1.7
207.06482	1.5
211.05954	9.0
221.08006	2.3
222.06503	1.5
233.08096	3.1
235.07591	1.9
237.07620	3.4
247.07605	1.3
249.07584	3.5
263.07056	2.2
265.08890	1.2
281.08093	2.6
301.10703	6.4
305.08417	1.1
313.10724	20.1
323.09158	1.5
325.10699	10.7
327.12427	5.9
331.11816	6.2
339.12314	6.3
341.10202	27.9
355.11850	4.0
357.13284	15.7
361.12921	4.7
373.12823	25.9
375.14349	8.4
391.13794	8.6
426.29385	1.9
433.14996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74263	0.8
55.01875	0.8
55.05508	3.3
56.99871	0.7
57.03433	1.7
57.07080	0.9
62.88261	0.7
65.39289	0.7
67.05496	2.6
69.03423	5.4
69.07063	6.3
70.06593	0.9
71.08634	5.2
72.08147	3.0
79.05474	1.7
80.80656	0.8
81.03417	2.7
81.07074	4.7
83.08630	5.5
84.08160	1.4
85.02913	5.4
86.05557	1.3
86.06070	22.6
86.09681	0.9
87.04475	1.1
87.84684	0.7
88.48487	0.7
88.60267	0.7
93.07064	4.0
95.08605	3.0
96.08131	3.1
97.02906	2.9
97.06500	2.5
97.10146	1.1
98.06039	1.2
98.09696	8.3
99.04479	1.5
99.08098	11.3
105.07065	0.8
107.08562	2.1
108.08077	2.3
109.02901	1.5
109.10111	2.0
111.08091	1.8
114.09251	0.8
116.10732	56.3
117.11087	0.9
121.10150	1.1
122.09660	2.1
124.07595	1.1
124.21458	0.7
126.09160	0.8
127.03906	2.5
135.11649	1.2
143.10669	1.8
145.04947	2.1
149.13248	3.5
167.14305	1.0
184.07314	1.3
214.18013	18.9
231.15816	2.1
239.16457	2.6
257.17496	4.7
261.13367	2.7
264.23248	1.0
271.92285	0.8
292.22678	2.3
310.23730	18.5
328.24814	100.0
329.25208	4.0
376.23160	3.5
397.54977	0.8
408.31079	1.8
415.95615	0.8
426.32153	18.0
427.32443	1.3
460.52322	0.8
472.28598	1.4
490.30099	25.5
491.30304	1.4
527.56500	0.8
588.37543	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
55.05506	13.0
56.24628	2.9
56.87727	2.5
67.05494	17.7
69.07053	8.9
70.73051	4.2
79.05486	17.1
81.07054	23.2
83.04941	3.7
83.08604	12.6
86.09686	5.4
91.05473	17.4
93.07056	19.0
95.04951	20.8
95.08613	12.5
97.06523	4.6
97.10124	3.4
105.06999	18.1
107.04932	6.2
107.08588	11.2
109.10149	6.7
117.07001	4.3
119.08596	15.8
121.10152	9.3
125.09607	3.8
129.91412	3.1
131.08533	9.0
133.10172	15.3
135.08075	6.0
135.11697	4.3
145.10124	12.1
146.11768	5.1
147.11639	8.9
149.09595	13.2
157.10091	3.9
159.11696	7.9
161.29141	2.8
163.11136	10.1
169.88133	2.8
171.11681	4.2
173.13297	4.6
189.11188	4.3
197.19565	3.2
223.13301	18.8
239.18002	5.5
257.19000	14.1
275.20038	100.0
276.20355	4.5
277.21725	3.6
293.21057	40.9
298.05182	3.3
553.42474	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01880	8.1
55.05517	25.1
57.07073	7.4
58.08881	3.1
67.05508	57.0
68.71720	2.8
69.03438	2.9
69.07068	21.6
71.05005	5.4
79.05496	48.1
81.03406	3.7
81.07056	100.0
83.04987	8.4
83.08625	14.7
85.06522	4.3
86.09709	35.9
87.10054	3.7
91.05485	38.1
93.07047	50.0
95.04968	15.0
95.08611	45.5
97.06529	5.6
105.04552	4.1
105.07033	58.9
107.04957	8.5
107.08583	27.7
109.06523	11.6
109.10145	15.3
111.08026	4.0
117.07024	12.7
119.08589	38.5
121.06513	5.3
121.10146	36.2
123.08062	11.8
123.11691	17.1
129.07014	3.6
131.08582	20.8
133.10144	18.5
135.08055	7.9
135.11710	12.2
137.09628	6.4
145.10158	12.9
146.11731	15.6
147.11682	33.1
149.09642	6.0
149.13269	8.6
157.10194	5.5
159.11705	10.1
161.13283	4.6
163.11278	3.4
163.14862	3.5
165.12746	17.1
171.11731	4.6
173.13268	8.1
176.14697	3.0
199.14792	5.1
205.47112	3.1
239.17838	3.4
240.19296	2.9
241.36469	2.8
243.21133	3.5
247.20578	7.6
257.19028	5.9
261.22141	24.3
268.66595	3.4
275.20059	64.5
277.21686	5.0
293.21109	49.0
441.33246	3.3
535.41235	10.1
553.42474	14.9
572.23560	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
55.99201	0.6
62.24364	0.7
67.05496	8.6
69.07062	2.5
69.27152	1.3
69.27542	3.4
78.27762	0.6
79.05485	5.0
81.07041	7.7
82.05522	0.6
83.08624	1.2
85.06511	0.9
86.09696	100.0
88.11263	2.1
91.05467	5.2
93.07037	5.3
93.20164	0.7
93.46927	0.7
95.04910	0.7
95.08596	5.5
97.10154	1.4
105.07033	2.9
107.08582	2.5
109.10152	2.5
117.07032	1.1
119.08564	2.4
121.10139	4.1
123.11690	1.1
131.08556	3.1
133.10110	3.5
135.11682	2.6
145.10115	2.9
146.11746	70.2
147.11707	1.6
149.09598	1.0
149.13303	1.5
159.11685	2.2
161.13281	1.3
163.11140	2.2
171.11644	1.7
173.13239	0.9
175.14890	0.7
177.12672	1.0
199.14676	0.8
225.16612	1.0
274.84811	0.8
293.21259	0.7
308.22131	0.9
322.23566	0.9
327.30435	1.0
341.31891	1.7
407.36621	1.9
425.37787	2.4
453.06204	0.7
505.59848	0.8
510.46622	3.1
528.47693	1.3
570.48596	1.9
588.49371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.07064	1.2
67.05500	6.7
67.65257	0.8
69.07056	3.2
69.41322	2.6
71.08614	0.9
79.05496	5.0
81.07055	6.5
83.08599	1.7
86.09697	100.0
88.11250	1.3
91.05476	5.8
93.07039	6.8
95.04956	0.8
95.08590	4.8
105.06995	3.5
107.08593	3.9
107.26030	0.7
109.10143	2.1
117.07031	2.1
119.08627	3.6
119.09351	0.7
121.10137	5.3
129.07040	1.1
130.55858	0.7
130.56844	0.7
131.08577	4.8
133.10123	3.7
135.11693	2.8
143.08488	0.9
145.10117	3.7
146.11749	56.6
147.11661	1.6
149.13258	1.3
157.10141	0.8
159.11702	2.1
161.13255	1.7
163.11176	0.9
171.11661	1.3
173.13342	1.4
177.12782	1.2
185.13283	1.6
189.12642	0.8
207.07208	0.7
236.16327	0.8
271.99545	0.8
282.97598	0.8
287.27112	0.7
311.81149	0.7
327.30222	0.8
329.07965	0.7
339.35818	0.8
341.31958	1.2
416.93231	0.7
425.37601	0.9
510.46741	1.2
528.47601	0.9
570.49182	1.0
588.43835	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01860	1.9
55.05502	0.8
57.03437	1.1
61.02920	0.8
65.03928	1.5
67.05497	1.1
68.99780	0.8
69.03436	6.9
69.07065	1.1
69.21067	4.0
73.02900	1.3
77.03960	0.7
79.05486	2.1
81.03413	5.6
81.07059	2.3
83.84228	0.6
85.02905	13.5
86.09684	1.1
87.00820	4.0
91.03945	0.6
91.05484	2.0
93.07038	1.5
95.04993	1.0
95.08594	1.5
97.02879	3.1
98.06064	0.7
98.23440	1.3
99.04448	2.1
103.05450	1.5
105.01863	2.5
105.04491	0.6
105.07003	1.6
107.04939	0.7
107.08633	1.6
109.02872	4.1
115.05468	6.5
117.01894	0.9
117.07047	1.1
119.04969	1.4
121.02872	1.3
127.03906	7.2
131.04916	10.6
133.06503	0.8
133.10114	1.2
134.08134	0.8
135.04411	54.0
135.11708	0.8
137.06000	4.7
143.04929	11.4
145.04953	2.2
145.06526	2.1
145.10112	0.9
147.04411	11.1
149.02338	60.9
149.05984	1.7
159.02972	1.7
159.04390	10.1
160.05113	1.0
161.05972	6.6
163.03867	1.2
171.04333	1.0
173.05980	36.2
175.03865	1.0
177.05482	2.6
189.05460	54.2
199.05101	1.1
201.05470	13.0
207.08029	0.9
213.03987	0.7
213.09091	0.9
217.06409	0.8
219.06509	65.0
220.06841	0.8
228.07597	0.6
231.04968	1.2
235.07509	2.0
237.09155	0.9
247.07657	3.6
258.21814	0.6
262.09418	0.6
263.07040	1.2
265.08633	1.7
275.06964	3.8
281.04431	1.7
282.05203	3.9
293.08069	1.5
295.05960	2.4
295.09357	1.2
305.08051	1.7
311.09137	1.1
323.09088	8.9
341.10190	100.0
342.10434	3.1
397.16547	1.5
398.16913	1.5
469.26651	0.6
588.33044	1.5
589.25952	2.8
589.34021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01860	1.9
55.05502	0.8
57.03437	1.1
61.02920	0.8
65.03928	1.5
67.05497	1.1
68.99780	0.8
69.03436	6.9
69.07065	1.1
69.21067	4.0
73.02900	1.3
77.03960	0.7
79.05486	2.1
81.03413	5.6
81.07059	2.3
83.84228	0.6
85.02905	13.5
86.09684	1.1
87.00820	4.0
91.03945	0.6
91.05484	2.0
93.07038	1.5
95.04993	1.0
95.08594	1.5
97.02879	3.1
98.06064	0.7
98.23440	1.3
99.04448	2.1
103.05450	1.5
105.01863	2.5
105.04491	0.6
105.07003	1.6
107.04939	0.7
107.08633	1.6
109.02872	4.1
115.05468	6.5
117.01894	0.9
117.07047	1.1
119.04969	1.4
121.02872	1.3
127.03906	7.2
131.04916	10.6
133.06503	0.8
133.10114	1.2
134.08134	0.8
135.04411	54.0
135.11708	0.8
137.06000	4.7
143.04929	11.4
145.04953	2.2
145.06526	2.1
145.10112	0.9
147.04411	11.1
149.02338	60.9
149.05984	1.7
159.02972	1.7
159.04390	10.1
160.05113	1.0
161.05972	6.6
163.03867	1.2
171.04333	1.0
173.05980	36.2
175.03865	1.0
177.05482	2.6
189.05460	54.2
199.05101	1.1
201.05470	13.0
207.08029	0.9
213.03987	0.7
213.09091	0.9
217.06409	0.8
219.06509	65.0
220.06841	0.8
228.07597	0.6
231.04968	1.2
235.07509	2.0
237.09155	0.9
247.07657	3.6
258.21814	0.6
262.09418	0.6
263.07040	1.2
265.08633	1.7
275.06964	3.8
281.04431	1.7
282.05203	3.9
293.08069	1.5
295.05960	2.4
295.09357	1.2
305.08051	1.7
311.09137	1.1
323.09088	8.9
341.10190	100.0
342.10434	3.1
397.16547	1.5
398.16913	1.5
469.26651	0.6
588.33044	1.5
589.25952	2.8
589.34021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16431	1.0
56.96565	4.5
67.05508	1.6
70.38696	1.8
79.05473	2.2
91.05504	2.1
98.97579	52.4
103.05477	1.7
105.07006	1.3
106.04142	1.3
107.04964	8.4
108.05739	2.7
115.05402	1.2
116.97782	1.4
116.98613	28.1
116.99391	1.9
117.07023	1.7
121.06524	1.1
123.04449	1.8
131.04933	1.8
133.06487	1.0
134.99663	9.2
135.04379	1.6
136.05185	3.4
137.06038	1.2
140.00237	3.2
145.06511	2.2
146.07271	1.6
147.08038	1.8
150.06746	1.8
151.07536	100.0
152.07896	1.4
158.07263	2.1
159.08041	2.5
161.05995	1.4
163.07549	3.6
165.09120	3.6
167.07034	16.4
173.09660	2.0
174.06746	1.4
175.07550	2.4
176.08298	1.1
177.09114	4.6
179.00192	1.9
184.07535	1.4
186.10385	1.4
188.08342	2.4
189.09137	3.4
191.00243	3.0
191.10709	1.4
193.08617	2.6
197.01282	3.6
201.09123	2.5
202.09886	1.7
203.10701	3.9
205.12231	4.2
209.01192	6.8
211.02759	1.4
217.12323	3.6
218.46736	1.0
227.02264	15.8
229.01791	1.8
231.03249	1.3
234.02361	1.0
235.02773	3.9
241.03972	1.6
245.03387	3.8
247.02824	2.3
248.03676	3.1
249.04388	5.8
250.01581	5.2
250.03831	1.1
252.03185	2.2
253.03955	2.3
260.03748	1.1
261.04410	2.3
263.02267	1.3
264.03162	1.4
265.03830	26.6
266.04611	1.6
268.02618	3.9
273.04532	1.2
273.38989	0.9
278.04700	4.1
279.05466	5.6
281.03494	1.0
283.04892	40.5
284.05286	1.5
287.05948	1.2
292.06104	1.5
295.04739	1.4
296.06024	2.4
301.06116	2.8
303.05579	1.9
303.09012	4.9
305.07150	1.2
306.06326	4.7
307.13071	1.1
321.06659	1.6
321.10074	15.5
327.05301	13.9
339.15915	1.4
344.11600	1.3
345.06503	8.3
360.08810	2.0
363.11133	23.9
367.08545	2.2
369.10208	1.9
379.08563	4.0
381.10333	1.1
382.06833	2.0
382.11011	5.0
394.11130	2.6
397.09549	3.9
400.12192	1.5
412.11948	17.6
415.10388	2.6
423.11224	4.0
427.14493	3.8
430.12979	35.7
431.13333	1.6
445.15366	16.1
446.15860	1.2
448.14047	8.3
453.14767	1.9
469.15286	9.1
472.14227	4.0
487.16428	41.0
488.16690	1.9
510.18079	2.5
529.17444	47.6
530.17749	2.8
547.18457	22.1
570.20142	2.0
589.19507	79.0
590.19934	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03928	1.1
61.75561	0.3
69.49174	1.3
76.90240	0.2
79.01847	2.2
81.03419	0.5
98.23417	0.6
107.01311	5.2
109.02868	2.6
122.21571	0.3
129.71269	0.3
137.02330	61.1
138.02693	0.8
172.05193	1.6
195.07968	0.4
207.08110	0.5
215.06993	1.0
217.85361	0.3
219.08029	0.5
221.06024	0.4
221.09766	0.3
223.07532	0.8
229.08595	2.2
230.07100	0.3
230.09341	5.8
231.06491	3.2
234.06769	0.6
235.07562	1.3
235.09636	0.4
236.07993	0.3
237.09123	0.8
238.09935	0.4
245.08043	3.2
246.06677	0.6
247.07570	0.8
247.09799	0.4
248.08275	0.5
249.09064	1.2
250.06490	0.4
250.09885	1.3
251.06966	2.0
252.07686	0.5
257.08182	1.7
259.06067	0.8
261.05444	0.4
262.06186	0.6
263.06967	2.5
264.04196	0.5
264.07782	0.5
265.08820	0.7
266.09308	1.0
267.10004	0.4
273.07666	0.5
274.08365	11.9
276.07867	0.7
277.05542	0.5
277.08582	2.6
278.05930	0.6
278.09320	1.8
279.06531	1.5
279.09988	0.5
281.11661	0.4
283.09772	0.8
290.05722	0.4
290.09329	0.4
291.06522	2.6
292.07272	0.5
293.07996	1.1
294.05472	0.4
294.08838	1.3
297.11224	0.3
303.06546	0.3
304.07144	0.8
305.04684	0.6
305.07928	2.9
306.05692	0.4
306.08829	9.7
307.05981	2.8
307.09543	1.2
308.06778	0.4
309.11154	4.8
311.09061	0.8
318.08926	0.7
319.06024	0.6
319.09592	0.3
320.06696	0.8
321.07535	2.6
322.08273	4.2
325.10748	1.1
331.06015	0.4
334.08264	0.6
335.05630	0.5
335.08994	2.3
336.06146	0.6
336.09845	5.1
337.06924	0.5
337.10614	4.6
340.95151	0.3
348.06207	0.4
349.07025	0.7
349.10696	0.5
350.07727	1.0
351.08578	0.8
352.09491	1.8
353.10043	4.1
361.07321	0.4
362.07864	1.4
363.08463	1.5
367.11731	3.3
376.09329	0.5
378.07440	0.5
380.09006	0.4
381.09665	1.8
393.09610	0.9
411.10703	100.0
412.11099	3.9
518.66138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
61.02919	2.0
69.03438	14.2
70.96732	2.4
71.40971	1.6
74.83840	1.3
76.34585	1.2
79.05518	2.5
81.03416	15.3
81.07064	4.5
85.02914	10.1
86.09727	2.7
91.05482	3.4
93.07036	3.0
95.08633	4.3
97.02887	10.2
99.04464	2.3
103.05478	4.6
105.07064	3.6
107.08612	2.2
109.02879	14.5
109.10140	1.7
115.05453	19.3
117.06202	2.2
117.07022	42.4
119.08572	2.9
125.02389	2.3
127.03914	14.8
128.06223	12.6
129.07005	96.8
130.07298	1.6
131.04916	7.8
135.04402	7.7
143.04916	14.3
145.04863	1.9
145.05409	2.2
145.06496	21.4
147.11678	2.2
149.72833	1.5
155.04938	3.4
155.06079	4.0
157.06494	41.8
158.06837	2.1
159.04427	14.1
161.06000	6.4
171.04384	31.0
173.05984	27.4
185.05969	14.0
187.04007	7.5
187.05969	9.5
189.05438	3.9
199.03873	22.7
201.05469	84.9
203.03459	2.6
203.17947	3.1
205.07062	2.2
217.04979	7.5
219.06456	2.5
229.04965	37.7
231.06525	100.0
232.06830	3.1
247.06013	88.2
248.06146	1.7
308.77609	1.7
411.10538	2.2
451.12201	2.5
590.01801	1.7
590.28204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04776	1.2
55.01881	4.1
57.03434	1.7
65.03940	1.6
69.03426	2.1
69.39513	5.2
70.06594	4.7
79.05492	5.7
85.02890	1.7
86.09676	1.8
91.05478	20.0
92.52470	1.5
93.07055	2.6
95.04982	3.4
102.49403	1.3
103.05466	43.9
103.54808	1.3
105.03405	3.8
105.04512	1.5
105.07025	19.6
107.04950	4.6
107.08591	1.7
109.06541	4.0
111.04471	2.0
115.05476	4.5
119.04948	21.6
121.06525	3.8
123.08062	2.0
131.04924	100.0
131.08620	1.4
133.02864	4.0
133.06494	16.4
135.04482	1.8
135.08046	1.5
137.05971	31.2
145.06496	2.1
147.04413	8.5
147.08052	2.0
149.05971	4.4
150.06706	1.8
151.07570	9.8
153.05434	4.0
159.08098	3.9
160.05185	2.2
161.05980	57.7
162.06778	6.8
163.07532	41.3
172.05206	4.2
175.07533	11.3
177.05380	1.7
179.07007	7.5
180.07829	2.0
187.07562	19.5
188.08261	3.1
191.06839	1.8
199.07593	2.2
203.06874	1.8
205.08633	6.0
217.08528	8.1
219.08080	1.6
226.61273	1.6
235.09726	2.2
249.09050	2.2
251.07132	1.4
251.10730	2.5
253.08638	3.0
259.07690	1.8
273.33383	1.3
277.08487	1.8
279.10120	1.6
280.07224	1.6
285.11285	1.8
297.11096	2.7
307.09668	2.5
309.11127	9.1
310.11938	2.8
311.12720	4.1
313.10785	1.6
315.12231	4.4
321.11325	3.4
327.12271	16.9
335.12671	2.3
339.12344	2.6
340.13187	3.8
341.13980	2.0
358.14078	3.5
412.42117	1.4
471.18231	1.7
591.20087	4.5
615.12122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04276	1.2
51.02367	1.6
53.03943	19.0
55.01868	2.3
55.05507	8.2
67.01875	4.2
67.05505	21.4
68.99797	4.0
69.03425	25.3
69.07057	7.9
71.04985	4.5
71.22324	1.5
73.02910	3.8
79.05482	16.8
81.03412	38.6
81.07055	49.8
85.02917	13.2
86.09702	2.4
87.00828	26.9
91.05470	21.0
93.07041	36.6
93.07601	3.0
95.04961	4.4
95.08601	52.1
97.02886	32.4
97.10179	2.4
99.04446	13.9
105.01861	15.9
105.04513	1.6
105.06433	1.2
105.07023	55.1
107.08587	58.1
109.02873	68.8
109.06545	2.0
109.10151	44.0
109.48637	1.4
116.55548	1.5
117.01867	1.8
117.07022	2.4
119.08569	33.4
121.10143	13.7
123.11692	8.5
127.03909	100.0
129.01851	1.6
133.10124	21.5
135.11676	10.9
145.03912	1.6
145.04985	6.1
145.10135	3.2
147.11673	40.2
149.13264	2.6
159.02875	7.4
159.11682	2.5
161.13289	14.4
163.14828	4.2
168.87550	1.4
175.14835	9.7
180.61296	1.6
183.02759	1.6
201.16405	1.8
203.17943	83.3
204.18242	2.2
213.03929	12.7
221.19031	3.6
231.05014	14.5
299.03995	2.7
317.05124	5.9
321.13770	1.7
564.89050	1.7
590.40094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67722	1.3
53.03932	6.2
55.01865	3.4
55.05508	7.8
65.03937	1.9
67.01860	4.6
67.05505	17.3
69.03426	19.6
69.07059	6.3
69.81355	2.3
71.04989	6.3
74.22440	1.3
76.82372	1.3
79.05489	10.2
81.03412	45.5
81.07052	39.4
83.08619	3.0
85.02895	9.4
86.09687	3.5
87.00818	5.8
91.05479	17.3
91.06004	2.4
93.07037	26.8
95.04963	3.0
95.08601	39.1
95.09209	2.0
97.02250	2.8
97.02886	52.8
97.10178	1.9
98.23489	1.8
99.04449	10.5
100.31753	1.4
105.01880	6.8
105.07021	44.2
107.08584	43.6
107.78752	1.5
109.02872	36.4
109.06559	2.2
109.10151	33.5
119.08571	28.2
121.10119	11.5
123.11684	5.6
127.03905	100.0
130.75519	1.5
133.10123	18.0
135.11667	9.4
145.04988	1.6
145.10139	3.3
147.11678	28.1
159.11679	1.7
161.13220	10.5
163.14868	2.6
175.14830	4.1
181.13310	3.0
195.90775	1.5
201.16486	1.7
203.17931	52.0
213.03983	8.1
221.18991	2.6
231.04961	13.3
273.15558	1.7
317.05133	3.6
323.21216	1.9
330.22778	2.0
367.56488	1.5
393.59851	1.9
417.86316	1.7
528.96130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01862	1.9
55.05508	3.5
56.34133	0.7
57.03427	1.1
61.02911	1.6
65.81218	0.7
67.05499	8.3
68.54719	0.8
68.99787	2.9
69.03426	11.5
69.07066	3.7
71.04976	4.0
78.92252	0.7
79.05502	5.4
81.03416	21.0
81.07055	16.9
83.01342	0.9
83.08596	0.8
85.02901	11.4
85.21002	0.7
86.09715	1.8
86.15024	0.7
87.00828	9.9
87.04448	0.8
87.49644	0.7
91.05479	7.4
91.27168	0.8
93.07040	16.2
95.04975	2.3
95.08604	20.1
97.02890	15.0
98.23464	1.2
99.04451	22.0
105.01879	3.1
105.04570	1.0
105.07028	21.0
107.08590	23.4
109.02876	27.5
109.10146	14.8
115.03970	0.8
115.30601	0.8
115.49451	0.7
117.07005	1.0
119.05984	0.7
119.08581	14.3
121.10118	5.2
123.11694	4.4
127.03912	100.0
129.01811	4.2
131.60129	0.8
133.10117	9.6
135.11696	7.8
142.18715	0.7
145.04942	6.8
147.02916	2.4
147.11684	13.9
153.01822	1.5
161.13254	4.0
171.02907	1.8
175.14812	1.9
189.03882	1.0
195.02899	2.0
203.17949	23.9
203.19850	1.3
213.03934	10.1
214.18042	1.5
231.04984	26.5
232.82222	0.8
299.03928	7.3
317.05008	17.0
319.56516	0.8
335.06085	4.4
338.41641	0.7
389.55914	1.0
414.93515	0.8
464.37433	1.0
524.15564	0.8
590.25189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05517	0.8
57.03429	1.7
60.97845	0.7
62.25044	0.8
67.05511	1.9
69.07066	3.9
71.47352	1.0
75.24397	0.7
75.99279	0.6
79.05490	7.2
81.07068	1.9
91.05450	4.0
93.07018	1.4
95.04984	1.9
97.06525	51.2
99.08084	6.8
105.07025	2.5
107.04955	5.8
108.05741	2.6
117.07014	1.0
121.06509	2.4
129.06966	1.6
131.04880	1.2
133.06380	0.8
135.04425	2.8
136.05185	3.1
137.05948	1.9
141.26036	0.8
145.06526	1.9
146.07256	2.6
147.04424	2.1
147.08080	1.6
149.06029	1.8
150.06761	2.9
151.07527	100.0
152.07893	2.5
153.05443	15.0
157.06500	1.1
158.07237	1.3
159.08023	1.7
161.06004	2.9
163.07581	2.5
164.08282	1.3
165.05525	2.2
165.09090	11.1
165.10393	1.0
167.07040	3.6
171.08086	1.2
172.08899	1.3
173.05997	2.4
173.09628	1.3
174.06787	2.4
175.07588	2.3
177.09096	14.1
179.06960	3.9
186.06557	0.9
186.10393	1.2
187.07590	2.9
188.08330	2.2
189.09090	9.2
191.06950	1.9
201.09085	10.0
202.09827	2.2
203.06984	1.5
203.10640	7.5
205.08533	3.7
207.10071	1.4
215.10713	2.7
217.12207	9.2
219.10112	1.5
221.11742	1.3
231.10115	4.8
233.11711	2.3
241.11964	0.8
249.11229	10.3
251.12756	1.1
271.13330	1.0
301.14279	3.0
315.15842	4.8
325.14328	2.0
339.16016	0.9
349.14304	1.1
355.15375	12.0
356.16156	2.4
357.16898	5.1
367.15414	2.1
377.17542	2.2
380.46451	0.8
391.18948	1.7
403.18665	0.8
409.20044	19.3
410.20245	1.3
435.21622	5.2
453.22717	14.7
471.24026	1.4
495.23663	1.5
560.18701	0.8
591.34497	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
67.05513	4.7
69.07064	3.1
70.63868	2.2
71.08616	1.4
79.05516	4.9
81.07061	6.8
83.08586	1.5
85.10156	1.1
86.09702	100.0
88.11280	1.5
91.05464	5.3
92.21027	0.9
93.07047	6.0
95.04935	0.9
95.08603	6.1
97.10146	1.0
105.07011	2.7
107.08598	1.4
109.10147	3.0
117.07048	1.4
119.08556	2.5
121.10146	3.3
123.11717	1.3
131.08591	2.6
133.10110	3.4
135.11693	2.4
140.58516	0.9
145.10109	2.3
146.11754	68.3
147.11856	1.6
159.11703	1.7
161.13187	1.8
164.56229	0.9
171.11739	1.3
173.13245	1.4
177.12686	1.4
185.13327	1.2
187.14709	1.0
278.78928	1.0
287.27368	1.0
288.41473	0.9
329.31860	1.1
343.33630	2.3
409.38397	2.3
427.39221	3.3
512.48022	3.1
572.50171	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.2
69.03413	0.3
70.01877	0.6
70.06584	0.8
72.08147	0.2
78.00521	0.2
81.03436	0.2
82.03972	0.3
83.01090	1.0
84.01878	0.6
85.02899	0.5
86.09709	1.2
87.10069	0.2
88.58749	0.2
94.79744	0.2
95.01082	2.8
96.01874	1.1
96.88558	0.2
97.02736	0.3
97.13467	0.2
98.22733	0.2
105.07051	0.4
109.02858	0.3
111.00610	0.2
112.01352	1.2
112.08649	0.2
113.02119	3.1
118.06557	0.2
119.08614	0.2
126.02884	0.6
127.03860	0.7
131.04947	0.9
133.06514	0.4
136.07555	0.4
137.05959	1.2
139.03549	0.2
141.01642	0.3
141.05217	0.5
147.04469	0.3
148.11209	0.3
151.03957	0.3
151.07555	0.4
157.03641	0.2
157.04704	1.0
161.05965	0.3
163.07552	0.3
167.03200	0.5
169.04723	0.3
185.04227	6.4
185.05763	1.0
201.03690	1.8
201.05286	0.3
202.04462	0.3
202.06184	0.3
203.05208	1.6
207.06374	0.3
207.11972	0.2
212.87520	0.2
217.04672	1.8
221.07805	0.2
230.15172	0.2
232.07057	14.0
233.07822	0.7
292.19217	0.3
365.12100	1.7
366.22922	1.5
381.11655	1.5
407.13101	0.8
560.18591	0.3
561.19672	0.5
591.20422	100.0
592.20764	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75238	0.3
60.60765	0.4
63.49287	0.4
69.03439	0.5
69.13982	1.6
69.14391	0.7
70.06579	0.7
81.03454	0.5
83.01093	1.1
84.01858	0.6
84.08165	0.4
85.02914	0.6
86.09698	2.3
92.13799	0.4
92.59688	0.3
95.01095	3.0
96.01866	0.9
97.02879	0.6
101.02122	0.5
109.02821	0.4
112.01363	1.4
113.02112	3.2
113.53959	0.4
127.03910	0.6
131.04929	0.8
133.15768	0.4
136.07567	0.8
137.05988	1.6
138.16699	0.3
141.05258	0.5
148.11218	1.1
157.04750	0.9
167.03191	0.7
175.07584	0.8
185.04233	6.0
185.05768	0.5
201.03700	1.5
202.06183	0.4
203.05280	1.3
217.04759	1.3
232.07048	12.6
233.07906	0.5
365.12036	1.2
366.22720	0.5
381.11819	1.9
407.13367	1.0
423.79691	0.4
425.15585	0.6
561.19409	0.5
591.20398	100.0
592.20526	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.26
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
67.05504	3.0
71.23676	2.1
79.05487	1.5
81.07048	1.9
83.89039	1.2
86.09683	1.3
91.05469	1.6
91.59634	1.1
101.35745	1.2
105.07036	1.2
124.30713	1.3
130.99672	1.2
138.24353	1.2
260.50528	1.5
415.19360	5.4
416.19983	3.8
429.20963	10.8
430.21579	5.4
431.22504	1.9
443.22360	4.3
444.23749	9.6
445.24139	6.1
459.25598	4.4
471.21695	1.5
472.22684	4.7
473.23459	6.1
474.24344	2.8
485.22989	2.1
487.24890	28.6
489.22986	3.4
503.24457	3.0
515.24121	1.7
531.23987	15.7
532.24670	5.4
572.40607	2.0
591.25928	100.0
592.26111	6.4
616.46405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
63.51094	0.8
70.53224	1.5
73.54888	0.7
84.04493	1.1
86.09679	1.2
93.07044	1.4
95.08594	1.7
100.11246	2.0
104.83285	0.9
105.07050	1.2
107.08626	1.2
141.63719	1.0
145.10130	1.7
154.12314	1.8
159.11697	1.0
168.13858	1.0
173.09515	1.1
187.11209	0.9
205.12282	1.2
210.14905	1.0
215.10646	1.1
219.08110	1.2
229.08461	1.1
233.09624	1.1
234.06784	1.1
235.07486	2.4
247.07616	2.2
248.08380	0.9
249.08997	1.2
257.08139	1.6
261.09155	1.4
262.06158	2.1
263.06973	3.4
270.88364	0.9
275.06961	3.9
276.07663	1.6
277.08456	2.9
278.05780	1.9
278.09198	1.7
285.07480	1.6
288.07825	1.4
289.08484	2.5
290.05881	1.5
290.09338	3.6
291.06555	2.5
291.10135	1.3
292.07394	1.6
293.08102	1.8
293.11703	2.3
303.06500	0.9
304.07159	1.0
305.08060	3.6
306.08786	2.8
307.09720	1.8
318.08652	0.9
319.06262	1.4
319.09644	11.6
320.10413	11.5
321.07455	2.4
321.11142	4.2
324.09906	1.0
332.06656	1.1
333.07516	2.3
334.08475	1.0
335.09036	2.6
336.09940	8.7
337.10330	0.9
346.08273	1.2
347.09229	2.2
349.10446	1.1
350.07718	1.4
350.11554	2.7
351.12140	7.1
363.08240	1.0
364.09427	4.1
365.10074	3.9
395.11240	100.0
396.11392	2.6
422.72107	1.1
592.19391	1.0
592.44019	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24042	0.4
69.19493	2.0
69.19898	0.9
73.21395	0.5
74.37052	0.5
79.40931	0.5
86.09708	0.6
97.20381	0.5
102.42638	0.5
110.66765	0.4
119.73554	0.5
122.09171	0.4
134.93344	0.5
154.08357	0.6
167.80687	0.5
197.26808	0.5
402.18112	0.7
403.19589	0.5
417.20895	1.3
418.21454	0.7
419.22241	1.0
431.18170	3.5
433.23935	1.3
445.19818	2.5
446.20963	0.7
447.21570	1.4
459.21808	0.9
460.22537	3.4
461.23276	2.8
473.23013	0.8
479.35156	1.4
505.21707	1.2
533.25446	9.1
574.42206	2.3
592.43292	100.0
593.27570	23.4
593.42780	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1863
Annotation	Linarin
Peak:m/z	Relative Intensity
52.77118	0.1
55.05497	0.1
57.03401	0.4
67.05480	0.2
69.03429	0.2
71.04985	3.1
71.46177	0.1
75.04428	0.2
79.05481	0.1
80.39950	0.1
81.03387	0.1
81.07037	0.3
83.04950	0.2
85.02901	3.5
93.07014	0.2
95.08585	0.2
97.06460	0.1
103.77446	0.1
104.26994	0.1
105.06973	0.2
106.07347	0.1
107.08543	0.2
111.04396	0.1
119.08543	0.2
129.05492	0.7
133.06487	0.8
134.60071	0.1
135.04387	0.2
145.10121	0.2
149.38884	0.1
150.05949	0.1
153.01816	1.0
154.02516	0.1
159.04372	0.2
164.05553	0.1
177.05460	0.2
207.06380	0.1
217.08548	0.2
242.05713	7.7
243.06152	0.2
270.05212	8.8
271.05539	0.3
275.58511	0.1
285.07541	100.0
286.07916	2.9
434.03140	0.1
447.12823	15.8
448.13028	0.7
552.15338	0.1
593.17639	0.2
593.25415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41744	0.4
58.06617	0.4
62.98256	0.5
67.05514	0.5
79.05511	0.7
87.04470	1.1
94.54879	0.4
98.22794	0.4
98.98427	0.4
103.95165	0.5
104.07082	2.0
104.99265	1.9
122.31642	0.5
135.00298	0.5
135.04395	3.4
177.49126	0.4
181.08585	2.2
225.26099	0.4
276.88596	0.4
333.24445	0.5
383.09784	0.4
451.17252	1.5
511.19421	100.0
512.19666	3.3
545.49915	0.4
575.22626	0.9
592.44769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77241	0.3
60.81982	0.3
69.55762	1.3
80.98235	0.3
122.31816	0.3
160.12737	0.3
166.46051	0.3
174.51338	0.3
207.86772	0.3
237.13858	0.4
388.16965	0.5
389.17822	0.9
390.18631	0.6
402.18484	0.6
403.19260	2.2
404.20023	1.0
405.20822	1.6
415.19485	0.7
416.20499	0.7
417.21252	3.1
418.21985	1.7
419.22296	3.7
430.17249	0.4
430.22110	0.4
431.18069	6.5
431.23706	0.4
432.18469	2.2
433.24194	6.0
434.24341	1.4
444.18927	0.4
445.19949	8.6
446.20697	4.8
447.21677	3.8
448.22324	0.4
449.23389	0.4
459.21478	3.2
460.15991	0.6
460.22525	10.9
461.23199	9.4
462.24039	0.4
463.21719	0.4
473.23752	2.0
474.24371	0.6
476.26022	1.6
477.22449	0.7
487.24954	1.1
491.25308	0.7
492.25116	0.6
505.21664	3.4
515.25250	0.4
518.23383	0.5
533.25482	39.0
534.25677	3.0
547.27228	0.4
561.25012	0.4
564.23865	0.7
565.27832	1.1
575.26538	0.6
593.27576	100.0
594.27881	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2751
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.20657	0.4
61.74905	0.4
98.22705	0.8
101.01670	0.4
108.47094	0.4
111.51042	0.3
165.90190	0.4
197.10709	0.4
239.93240	0.4
387.16324	0.7
388.17090	0.6
389.17477	1.9
390.18365	0.5
401.17990	1.0
402.18494	1.7
403.19131	4.2
404.19861	2.4
405.20602	3.0
406.21106	0.8
416.15619	0.6
416.20447	0.9
417.16852	1.4
417.21335	5.8
418.21960	3.4
419.22263	7.3
430.17767	1.7
431.18112	13.0
431.23703	0.6
432.18671	4.0
433.24258	9.1
434.24988	2.0
439.23892	0.4
444.19275	0.8
445.19910	15.2
446.20721	7.6
447.21689	7.9
449.23343	1.1
458.20822	0.4
459.21509	5.8
460.22540	11.2
460.28607	0.7
461.23169	10.2
462.25009	0.5
463.21375	0.6
473.23901	3.0
474.23917	1.1
476.25876	0.8
477.22931	1.4
487.24881	1.1
489.26706	0.8
491.24249	1.2
492.25171	1.9
505.21957	6.3
518.22144	0.7
519.23907	1.4
533.25421	30.5
534.26007	1.8
564.23633	1.2
565.28149	0.6
593.27496	100.0
594.19067	0.7
594.27795	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
70.06582	0.7
71.35063	0.3
81.03404	0.3
105.03410	0.2
107.04955	0.2
118.63889	0.2
121.02853	4.5
123.00803	0.3
131.04922	0.4
134.08131	0.5
137.02303	0.3
141.01830	1.7
147.04411	0.9
156.13908	0.3
165.01807	1.6
169.06538	0.3
174.14841	0.3
183.02847	1.2
197.05978	0.9
201.05452	0.3
215.07016	0.5
225.05440	0.8
243.06522	1.6
271.05988	0.5
299.05466	100.0
300.05817	2.6
461.10736	8.5
462.11136	0.3
540.31012	0.3
593.01331	0.3
594.17889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01870	2.0
55.05503	3.3
57.03434	5.6
57.07082	0.7
61.02926	8.6
67.05510	6.6
69.03432	16.8
69.07076	1.5
69.47147	2.3
71.04990	7.4
73.02923	3.9
79.05486	5.6
81.03424	7.5
81.07059	34.0
83.08598	1.2
85.02906	100.0
86.03214	1.2
87.04474	2.5
91.03964	5.7
91.05478	3.4
93.07054	8.0
95.04984	1.6
95.08607	17.0
97.02892	26.4
97.06516	0.8
97.10172	1.4
97.50146	0.7
98.23355	1.5
99.04466	5.4
103.03932	0.9
105.07025	12.3
107.08585	12.6
109.02873	9.4
109.06504	1.2
109.10149	7.2
113.05994	1.1
115.03919	0.7
115.57578	0.7
117.07026	1.4
119.08581	19.1
121.10148	6.8
123.08101	1.3
123.11705	14.2
125.09651	1.3
127.03919	23.3
128.06274	0.6
129.05486	1.8
133.10132	12.2
135.08022	1.0
135.11694	10.3
136.12389	0.7
137.09607	0.7
139.07564	1.4
144.06592	1.1
145.04962	41.1
145.10092	1.6
147.07993	1.2
147.11690	6.4
149.13266	1.0
153.01819	8.2
153.09106	1.8
157.10162	1.3
157.98024	0.7
159.11652	1.6
161.05997	3.1
161.09673	1.5
161.13261	22.9
163.06021	18.1
175.11212	1.5
189.16385	42.2
190.16747	1.8
195.02872	1.3
199.14825	1.9
217.10815	1.2
217.15892	10.4
219.02672	0.7
220.80920	0.8
227.70016	0.7
235.16931	46.2
236.17249	1.6
247.16988	1.3
256.97510	0.6
271.08133	0.9
285.07556	1.8
286.07993	1.2
287.09152	13.3
289.09131	0.7
325.11407	2.3
325.17822	1.7
329.13647	0.8
343.19128	2.4
361.19949	0.9
379.21243	2.3
595.35339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
57.07072	6.5
58.06591	0.9
62.06094	6.3
64.20827	0.5
69.15911	0.5
71.08638	3.3
71.27693	0.7
71.46079	0.7
75.24971	0.6
78.85220	0.6
79.40002	0.6
81.07051	1.4
85.10154	0.8
86.52216	0.5
91.05486	0.7
105.06966	0.5
109.00943	0.6
138.40881	0.6
210.14812	1.1
212.23689	3.8
230.24789	100.0
231.25113	2.0
264.56531	0.6
291.19550	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1421
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
59.47602	0.2
64.89825	0.2
75.18598	0.2
98.22649	0.4
103.05540	0.2
113.37143	0.2
153.69945	0.2
242.93491	0.3
333.24496	0.2
399.18546	0.2
432.08170	4.8
433.08942	12.4
434.09366	0.4
461.35379	0.3
489.74133	0.2
595.14203	100.0
596.14496	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01879	1.5
57.03427	2.8
61.02928	2.8
65.03925	2.0
68.93295	1.2
69.53413	2.8
69.53825	3.5
70.06585	1.5
71.04971	1.7
73.02900	1.4
81.03413	1.8
85.02902	7.2
95.07378	1.1
103.03929	3.4
103.39928	1.2
107.04935	2.6
109.02886	3.3
111.04445	1.5
119.04928	7.8
121.02859	37.1
131.04997	1.3
133.06418	1.2
145.02864	4.2
147.04378	1.7
151.03947	1.5
161.02342	1.4
163.03906	2.3
173.02365	1.3
173.06003	1.4
176.01013	2.6
177.01833	3.0
177.05336	1.7
179.03409	2.9
187.03964	1.4
189.01826	10.1
190.02589	1.6
191.03409	6.9
195.02878	4.6
199.03842	1.7
201.05417	2.8
203.03380	11.4
205.05016	1.6
207.02829	8.2
211.03958	1.5
215.03358	3.6
217.05011	4.5
219.02866	7.7
221.04475	2.1
227.03326	2.6
229.04939	4.0
231.02948	2.2
233.04414	2.9
243.06509	1.5
245.04436	1.8
251.06985	1.5
253.05104	1.9
255.02896	2.8
257.04449	3.1
267.06549	2.8
268.07318	4.9
273.03979	2.0
279.06555	4.4
280.07294	4.0
281.07901	5.6
283.05972	8.4
284.06757	1.7
285.03922	2.7
287.05527	3.2
291.06601	1.7
293.08084	3.5
294.05182	18.9
295.05991	85.1
295.09024	2.9
296.06750	8.8
297.07501	9.2
307.05991	48.5
308.06738	17.4
309.07547	15.7
313.06955	5.9
314.04202	2.7
315.04553	1.8
317.07883	2.4
319.06009	7.4
320.06711	3.5
321.07556	25.4
322.08337	12.1
323.05432	2.9
323.09204	5.2
325.07040	100.0
326.07385	2.0
329.06427	14.3
330.06845	15.9
333.07599	9.3
335.05435	2.0
335.09003	14.9
336.06256	4.0
336.09961	1.6
337.07047	55.7
338.07309	2.1
339.08493	2.7
345.07599	3.6
347.09235	11.0
348.05933	1.7
349.07077	32.5
350.07697	1.8
351.08566	23.0
355.08075	16.6
359.09106	2.0
361.06992	16.5
361.10822	1.9
363.08618	7.6
365.06314	2.0
365.10181	10.2
367.08221	4.1
373.06906	6.3
375.08585	11.9
379.08066	48.1
385.06970	3.5
387.08557	2.1
389.10095	3.8
391.08124	29.4
393.09573	1.6
397.09219	1.2
401.10190	2.7
403.08023	23.7
403.13141	2.2
409.09177	39.4
413.10284	1.9
415.08401	2.7
417.09546	3.5
421.09177	26.1
427.10233	36.1
428.10617	2.1
433.09229	3.3
439.10269	26.3
445.10034	4.1
457.11276	87.8
458.11389	2.7
463.10229	5.7
475.12228	21.3
481.11258	24.4
487.10321	3.2
493.11148	3.1
499.12234	17.8
505.11218	6.1
511.12317	22.7
523.12347	22.5
529.13239	10.8
541.13422	30.5
559.14392	21.4
577.15411	12.4
595.16382	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03931	0.1
54.32918	0.1
55.01865	0.1
55.05508	0.1
57.03435	1.5
59.04998	0.1
60.00095	0.1
61.02627	0.1
61.02925	1.9
65.03927	0.1
68.99464	0.1
68.99786	0.4
69.03430	0.4
70.06622	0.1
70.83743	0.1
71.01354	0.2
71.04992	9.4
73.02920	0.6
75.04472	0.5
79.05505	0.2
81.03411	0.2
83.04972	0.5
85.02904	12.1
86.03239	0.1
87.04473	0.3
91.03951	1.0
95.04997	0.1
97.02891	1.1
99.04482	0.1
103.03922	0.1
105.03402	0.2
107.04977	0.2
109.02894	0.3
111.00802	0.6
111.04485	0.4
121.02858	2.1
127.03915	0.6
129.05473	3.0
129.06964	0.1
133.02846	0.5
137.02351	0.7
137.05940	0.1
145.04919	0.5
145.06499	0.2
147.04387	0.4
147.06494	1.0
153.01823	2.7
157.06439	0.2
159.34612	0.1
163.06026	0.1
165.01828	1.3
171.04449	0.2
183.02884	0.8
185.05943	0.3
213.05432	1.0
231.06471	0.6
241.04919	0.7
258.05255	0.9
259.06033	0.5
269.04495	0.2
287.05481	100.0
288.05823	2.3
292.85953	0.1
299.05539	0.1
329.06445	0.2
353.06619	0.1
381.91888	0.1
449.10693	0.6
519.24274	0.1
595.21973	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03938	0.3
55.05492	0.2
57.03438	1.8
61.02924	1.4
68.99790	0.3
69.03437	0.2
70.00858	0.3
71.04993	8.7
73.02901	0.7
75.04463	0.3
83.04988	0.3
85.02905	12.8
87.41882	0.2
91.03973	1.0
97.02905	1.1
99.04449	0.3
99.86633	0.2
105.03410	0.2
107.04980	0.2
109.02894	0.3
110.98286	0.2
111.00780	0.5
121.02868	1.5
127.03934	0.5
129.05470	3.0
133.02844	0.2
133.14084	0.2
137.02350	0.6
145.04933	0.3
145.06544	0.2
147.04407	0.4
147.06512	1.0
153.01816	2.3
156.55780	0.2
157.06500	0.2
165.01802	1.1
179.13304	0.2
183.02902	0.7
183.74625	0.2
185.05885	0.2
213.05432	1.0
231.06523	0.6
241.04916	0.6
245.52917	0.2
258.05319	1.0
259.06049	0.4
269.04303	0.2
271.05884	0.2
287.05484	100.0
288.05838	3.4
299.05557	0.2
449.10477	0.8
451.89081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03908	0.2
53.42878	0.2
53.54036	0.2
55.01847	0.3
57.03428	1.6
61.02893	0.5
68.99784	0.2
69.03418	0.9
70.74010	0.2
71.01332	0.2
71.04991	8.8
73.02896	0.2
74.68855	0.2
75.04450	0.4
81.03381	0.7
83.04959	0.4
83.81857	0.2
85.02901	13.8
87.04453	0.4
91.03925	0.2
97.02893	1.2
99.04449	0.2
105.03392	0.2
107.04952	0.2
109.02868	0.4
111.00787	0.4
111.04422	0.3
120.08105	0.3
121.02875	1.8
127.03878	0.8
129.05476	2.9
133.02820	0.3
137.02307	0.5
145.04915	0.6
147.04391	0.3
147.06535	1.0
153.01817	2.5
154.46883	0.2
157.06441	0.2
165.01823	1.4
171.04440	0.2
175.03662	0.7
183.02901	0.4
185.05968	0.2
200.83228	0.2
202.05933	0.2
207.50139	0.2
209.47731	0.2
213.05492	0.9
216.94553	0.2
219.48979	0.2
231.06500	0.4
241.04913	0.7
258.05286	1.0
259.05988	0.3
260.72668	0.2
287.05478	100.0
288.05826	3.3
385.12271	0.4
399.14102	0.4
449.10422	0.7
530.16101	0.2
553.76093	0.2
595.21429	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2017
Annotation	Poncirin
Peak:m/z	Relative Intensity
53.03940	0.6
55.01873	0.9
55.05505	1.1
56.17537	0.4
57.03434	6.9
58.06588	1.6
59.05005	0.6
59.07393	0.5
60.08162	4.7
61.02916	1.3
65.03927	0.4
67.01868	2.5
67.05489	0.7
68.99786	1.5
69.03421	4.8
69.62177	1.0
70.06617	0.4
71.01354	0.7
71.04990	43.8
73.02903	1.5
75.04462	1.9
79.05478	1.0
81.03397	1.5
81.07060	4.0
82.07369	0.6
83.04971	1.9
84.08132	0.6
85.02898	52.7
86.03212	1.6
87.04450	1.7
91.05478	1.5
93.07033	0.8
95.04954	1.2
95.08601	1.5
97.02902	3.4
97.06512	1.2
99.04433	0.9
100.24039	0.4
103.05466	1.4
105.07040	2.0
107.04950	0.9
107.08604	1.1
109.02877	2.0
109.06544	0.6
109.10185	0.6
111.04442	1.3
119.07373	0.6
119.08576	1.4
120.08101	9.3
121.02860	0.5
121.06485	1.8
121.10087	0.5
123.11681	1.1
125.02357	0.7
127.03914	2.2
128.04175	0.6
129.01851	0.5
129.05466	11.8
129.06889	0.5
133.06490	5.5
133.10097	0.9
134.10483	0.5
135.04410	2.5
135.08072	2.6
135.11662	0.9
137.05951	1.1
138.09026	0.6
145.04951	3.6
146.05301	0.6
147.06503	3.5
149.02237	0.4
151.03857	0.8
153.01817	58.2
153.36157	0.4
154.02103	0.9
155.37869	0.4
159.11539	0.5
161.05960	25.2
161.13208	1.0
162.13570	0.6
163.03867	0.7
163.05975	1.0
165.01816	2.8
167.07047	0.5
171.02878	11.5
173.16527	1.8
177.01845	1.1
177.05522	0.5
177.09093	0.9
178.23305	0.4
179.03400	1.8
179.52852	0.5
180.13864	0.4
183.02866	1.3
188.14331	0.7
189.05429	0.5
189.09203	0.7
189.16353	1.4
190.12317	1.0
190.16704	1.2
191.03378	2.3
195.02881	15.9
202.12238	0.6
203.03412	1.4
207.02812	0.6
217.04950	0.7
217.15906	0.6
219.02859	6.0
219.10056	0.6
221.04456	0.7
231.10071	0.5
235.16855	1.9
236.17252	1.8
237.03902	0.4
245.04416	6.3
245.08072	0.6
248.12709	0.6
261.03894	0.9
263.05490	10.2
268.99426	0.4
269.07953	0.4
281.06488	4.0
285.07565	0.6
287.09113	100.0
288.09415	3.6
298.89819	0.5
299.09027	1.8
311.09134	1.4
329.10214	4.9
329.13892	0.7
330.13962	0.8
353.10168	5.7
379.11728	1.9
395.11057	0.5
397.12778	6.5
413.12347	1.0
415.13974	3.0
431.13168	0.6
433.14899	2.1
449.14230	1.5
536.27588	2.1
567.35297	2.4
595.34906	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.255
Annotation	Salasol B
Peak:m/z	Relative Intensity
67.05482	1.1
68.52592	0.8
71.48069	0.9
81.07057	1.7
96.57149	0.8
98.23116	1.1
119.08549	1.0
142.35718	0.8
170.03439	0.7
195.16389	0.8
196.11147	0.8
323.60590	0.9
345.25623	1.0
377.17709	1.0
390.18164	1.0
391.19186	2.9
392.19742	1.1
393.20837	1.8
404.16446	1.2
405.17010	3.1
405.21414	1.2
406.17621	1.8
407.22299	3.7
412.97485	1.0
419.18338	4.0
420.19482	2.1
421.20413	3.1
433.21188	4.8
434.21429	4.4
435.21725	7.8
436.22723	1.4
447.18433	2.8
448.18683	1.1
449.19754	2.5
460.18890	1.1
461.19449	1.4
462.20535	7.0
463.21024	4.3
465.23639	1.2
475.21317	1.6
479.20850	1.5
494.23883	1.1
507.24698	5.3
535.23364	23.3
535.31244	1.7
536.24420	1.0
567.25818	2.1
577.51898	0.9
595.25458	100.0
596.25812	7.2
601.66101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23306	0.8
52.61710	0.7
53.03941	2.3
55.05516	12.6
57.03229	0.7
57.03444	7.9
57.07069	1.5
65.03912	1.3
67.05508	41.8
69.03441	1.2
69.07069	13.6
69.70004	3.0
71.04991	1.9
76.48521	0.7
77.03942	1.6
79.05495	27.9
81.03420	8.0
81.07060	35.7
83.08625	5.5
85.02913	1.2
85.06533	1.3
89.55196	0.8
91.05488	17.4
93.07047	35.6
95.04974	4.4
95.08609	30.3
97.06550	1.3
97.10155	3.0
98.98473	49.4
99.04460	1.6
99.08075	0.9
105.04490	2.4
105.07026	13.0
107.08597	19.4
109.02882	6.5
109.06516	1.3
109.10159	11.9
111.08072	1.9
113.09670	1.0
117.07008	2.9
119.08593	9.2
121.10145	14.5
123.08047	1.0
123.11712	4.3
127.03952	0.9
129.06932	0.9
131.08560	6.9
133.10141	9.5
135.11708	10.5
137.13255	1.6
139.11206	0.9
145.10110	5.7
147.11716	5.5
149.13248	5.7
155.01045	25.2
159.11697	3.2
161.13272	4.6
163.14873	4.4
173.02124	2.6
173.13242	3.7
175.14807	1.9
177.12740	0.9
177.16391	1.4
179.14410	0.8
187.14827	2.5
201.16333	1.2
233.22678	1.7
243.21086	8.0
261.03757	2.9
261.22159	20.4
261.24966	1.2
317.06274	5.0
317.24701	5.8
335.07178	3.9
335.25812	100.0
336.25983	4.6
391.44083	0.9
415.22412	1.6
423.27527	2.0
559.26477	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05506	0.5
56.21784	0.2
58.06598	12.9
59.07383	4.1
60.08161	40.6
67.05493	0.7
68.05052	0.3
69.07067	2.4
70.06597	0.4
71.08631	0.6
72.04527	0.6
72.08138	1.3
79.05482	0.6
81.07056	1.1
82.06557	0.7
84.08145	3.3
85.06536	0.5
86.09722	0.8
91.05481	4.9
93.07063	1.3
94.06564	0.3
95.04964	0.9
96.04498	1.4
96.08118	0.6
97.06519	4.6
103.05466	5.7
105.07019	2.4
107.04971	0.6
110.06037	0.9
110.09670	0.4
112.07594	0.4
114.09151	2.8
114.12791	3.1
117.07003	0.5
118.06534	0.6
119.04935	1.4
119.07324	2.4
120.08099	70.9
121.08457	0.8
123.04446	0.6
123.46985	0.3
124.07570	1.4
125.08358	1.3
125.88488	0.2
126.09155	0.8
129.06989	0.6
130.06535	1.1
131.04953	0.7
132.08072	1.2
134.09668	1.5
136.07565	1.4
138.09126	5.2
138.77556	0.2
146.06009	1.1
146.09595	0.3
147.04407	0.6
147.09221	0.4
150.17978	0.2
152.14366	0.6
154.08655	0.5
158.06082	0.6
159.06902	0.2
159.11720	0.3
160.07629	1.1
161.09622	0.7
162.05540	0.3
165.05460	0.7
166.12288	0.4
169.10046	0.2
173.09653	1.2
173.16489	15.6
174.12697	0.3
175.08722	1.1
177.09097	3.8
180.13837	3.2
182.08131	0.7
185.09641	0.5
188.14340	5.7
189.09085	3.4
190.12274	4.3
200.10707	4.2
202.12254	7.3
206.08092	0.4
208.13330	0.7
212.10588	0.4
213.09081	0.3
214.12300	0.7
216.10345	0.4
216.13826	1.2
218.11876	0.5
218.25273	0.3
219.10150	2.9
219.14856	0.6
228.10202	0.6
229.13333	0.3
231.10152	3.7
231.14967	0.3
233.16458	0.3
236.12823	1.0
239.21257	0.7
246.11214	0.6
248.12813	3.6
257.12735	0.3
260.12878	0.3
265.15411	0.3
273.15869	1.2
274.10751	0.4
302.17307	0.2
304.17081	0.3
315.20703	1.8
333.21707	1.7
347.17188	0.2
349.19308	0.3
361.21265	0.9
367.20135	0.5
375.17029	0.7
389.20590	0.5
392.19656	0.5
395.19836	0.4
417.25214	0.3
420.29037	0.3
463.25797	0.7
480.28604	1.5
508.28061	0.8
536.27509	13.4
537.27985	0.7
567.35370	18.9
568.35913	1.1
595.34863	100.0
596.35217	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01866	1.6
57.03438	15.9
59.04997	0.4
61.02929	9.4
69.03433	25.9
71.01370	2.0
71.04996	3.4
71.44496	0.6
72.08138	0.7
73.02921	28.8
81.03421	6.4
83.04991	0.8
84.08134	0.5
85.02907	100.0
86.03224	0.5
86.09711	0.7
87.04472	5.6
91.03955	4.9
91.05473	0.6
95.05001	0.6
97.02895	48.0
99.04445	4.4
101.02374	0.8
103.03947	1.0
105.07026	3.4
107.04960	0.7
109.02879	8.7
110.07159	0.7
111.04424	0.6
115.03934	29.0
116.07102	0.5
117.07031	0.6
119.08590	1.2
125.40823	0.4
127.03919	28.4
129.05486	1.5
131.08653	0.5
132.06549	0.4
133.04976	10.6
134.08109	0.4
135.04466	0.7
145.04967	49.6
146.05341	0.4
147.06487	0.9
147.08041	0.6
150.04005	0.4
150.07588	0.6
151.03926	0.7
155.08670	0.5
162.07645	0.5
163.06023	26.5
193.05081	0.4
201.09146	0.8
201.99379	0.5
217.07071	0.7
219.10144	0.6
223.06055	3.4
231.10146	0.5
237.11252	0.4
241.07077	4.2
249.11220	0.8
255.12354	0.7
259.08148	6.0
272.06329	0.6
273.09818	0.4
277.09540	0.5
285.13330	5.7
289.09238	1.6
295.10245	12.2
295.13437	0.7
325.11292	8.9
398.21060	0.4
416.22791	2.9
434.23959	0.6
560.73053	0.5
575.10266	0.5
578.27850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01883	3.4
55.05508	11.3
57.03436	5.1
57.07074	3.4
57.49362	1.3
65.03946	2.1
67.05497	55.6
69.03419	1.8
69.07054	10.3
71.04990	2.5
77.03912	1.7
79.05483	35.2
81.03404	3.1
81.07048	62.2
83.08606	7.0
85.02902	2.6
85.06535	2.7
91.05472	20.0
93.07034	46.3
93.56937	1.4
95.04971	4.8
95.08598	49.4
97.06535	3.2
97.10182	2.1
99.04460	1.7
99.08065	3.0
101.47646	1.2
104.47671	1.3
105.04535	2.1
105.07014	15.3
107.08585	34.2
109.02895	4.8
109.10144	28.4
110.03691	1.9
111.04454	2.2
111.08080	3.3
113.09660	1.6
114.96758	1.6
117.07014	7.1
119.08574	14.2
121.10140	33.5
121.10985	2.2
123.08050	1.6
123.11691	15.1
127.03918	2.6
131.08546	18.5
132.20778	1.3
133.10124	11.5
135.11674	26.6
137.13249	5.9
139.11162	1.9
145.10101	12.1
147.11679	9.7
149.13222	18.4
151.11192	2.1
151.14841	1.8
153.12758	1.7
159.11665	12.2
161.13223	12.3
163.14803	16.1
165.12790	2.3
173.13228	15.2
175.14838	4.0
177.16411	5.9
179.14317	3.5
180.92358	1.4
187.14827	7.7
191.00060	2.9
191.14349	1.6
201.16426	2.6
205.15906	2.3
219.17459	2.1
233.22668	2.4
243.21056	38.3
261.22110	100.0
262.22552	4.1
263.23660	1.4
279.23288	2.2
303.23312	1.8
331.22412	1.5
331.26459	1.3
335.25803	18.9
337.27411	4.7
353.26810	42.5
362.87982	1.4
377.26584	1.8
443.27783	1.8
451.21509	1.7
461.41147	1.5
507.24506	1.8
561.27094	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01874	8.6
55.05512	47.5
57.03217	1.7
57.03446	19.0
57.07079	1.8
59.05008	6.5
61.02924	5.1
65.03940	2.9
65.11855	1.2
65.33749	1.4
67.05506	100.0
69.03434	5.0
69.07077	9.6
69.13087	6.2
69.13497	2.8
71.01353	4.4
71.05003	3.2
71.08614	1.4
73.02920	3.0
74.39283	1.3
75.04490	1.8
79.05500	26.6
81.03427	14.4
81.07065	36.7
83.01363	1.7
83.04982	13.1
83.08617	19.6
85.02901	20.6
85.06570	3.5
87.04459	8.2
91.03962	1.5
91.05476	15.4
93.07040	14.9
93.31094	1.3
95.04978	5.4
95.08607	13.4
97.02905	6.9
97.06522	3.2
97.10177	30.8
98.23440	2.8
98.98480	2.5
99.04461	1.7
99.08111	1.9
102.56175	1.3
103.03947	11.0
105.07035	4.4
107.04970	6.8
107.08589	18.4
109.06499	2.6
109.10164	73.4
110.10511	2.0
111.04443	4.5
111.08093	5.7
115.59763	1.5
117.07011	4.3
119.08573	10.2
121.06497	3.1
121.10165	5.2
123.08072	2.8
125.09631	33.1
125.10497	2.1
127.05514	1.6
127.06645	1.7
131.08548	3.7
133.10181	2.6
135.08057	1.5
135.11713	7.3
137.09648	4.5
143.10677	6.3
145.10156	6.6
147.08084	2.6
147.11674	1.4
149.09616	1.6
153.12755	10.5
155.08591	1.7
155.10666	7.4
163.11176	11.7
172.22916	1.6
173.09599	3.7
173.11739	34.5
181.12198	6.5
184.18774	1.6
186.22231	2.1
189.11191	1.7
191.10687	5.7
193.12335	2.7
199.13269	13.4
209.11719	13.1
217.14417	4.6
227.12802	14.9
229.14354	65.6
245.13930	2.7
257.13852	52.6
259.50208	1.3
267.15878	2.5
273.17053	1.7
283.15390	12.6
301.16458	36.8
303.04767	1.6
319.17438	6.8
336.26004	3.3
399.23749	2.4
596.34656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88277	0.2
57.03439	2.0
61.02928	3.4
64.86052	0.2
68.99796	0.5
69.03429	2.8
69.19031	1.0
70.06578	0.5
71.01340	0.5
73.02920	4.6
81.03411	0.5
81.07029	0.2
85.02908	4.8
86.09725	0.2
87.04464	0.4
91.03953	1.9
93.03402	0.3
97.02897	3.6
99.04405	0.3
109.02881	0.6
110.07124	0.3
111.00807	0.9
111.80479	0.2
115.03908	1.8
119.08599	0.2
121.02866	0.8
127.03923	1.0
128.14114	0.2
130.80617	0.2
133.04991	0.3
137.02342	3.0
137.05966	0.3
139.03911	0.2
145.04970	1.1
145.06467	0.2
149.02283	0.3
153.01813	3.4
161.05963	0.5
161.78004	0.2
163.03906	0.6
163.06030	0.7
165.01833	1.6
166.02534	0.2
173.02487	0.2
173.06000	0.5
180.15971	0.2
183.02870	0.7
183.04311	0.3
187.03909	0.2
191.03349	0.3
191.77380	0.2
195.02898	0.4
201.05478	1.3
205.04979	0.3
207.02861	0.2
229.04984	3.6
239.03432	0.2
241.07083	0.3
247.06059	0.6
257.04446	2.5
274.04816	0.5
285.03955	1.2
303.04980	100.0
304.05298	2.9
315.04837	0.7
327.04926	0.2
345.06036	0.6
369.05899	0.6
389.69858	0.2
465.10135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1449
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03435	2.6
59.79681	0.3
60.47354	0.3
61.02918	1.5
68.99799	0.5
69.03426	7.6
70.00227	0.7
70.00556	0.4
73.02919	0.7
81.03425	0.6
85.02899	5.8
87.04469	4.7
91.03928	1.0
93.03411	0.6
97.02888	6.0
99.04411	0.3
109.02882	0.4
111.00787	0.4
115.03922	4.7
116.99915	0.3
121.02853	0.9
127.03910	0.8
132.82928	0.4
133.04948	4.4
137.02353	2.9
145.04982	0.8
153.01822	3.5
162.39951	0.4
163.03897	0.4
165.01837	2.2
173.05923	0.4
183.02867	0.8
183.04338	0.5
201.05441	1.4
216.19385	0.4
229.04906	3.6
247.06058	0.6
247.79185	0.3
257.04440	2.3
274.04663	0.7
285.03891	1.9
303.04971	100.0
304.05331	2.9
315.04993	0.6
345.05942	0.9
435.09180	0.4
447.09341	0.3
465.09995	0.6
497.80750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3041
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03951	1.3
55.01893	0.5
55.05254	0.9
55.05513	13.3
57.03438	7.3
57.07077	2.9
59.31933	0.5
64.23351	0.5
65.03957	1.2
66.99020	0.5
67.05507	38.7
69.03437	0.8
69.07069	15.3
70.73730	0.6
70.74050	0.5
71.04992	1.4
71.08613	1.0
73.86860	0.5
79.05493	11.6
79.98898	0.5
81.03424	5.2
81.07059	37.9
82.07413	0.7
83.04980	1.5
83.08620	7.5
85.02903	1.3
85.06542	1.2
85.10219	0.6
91.05487	6.3
93.07043	13.2
95.04977	1.4
95.08610	27.0
97.06538	2.6
97.10194	2.7
98.23126	0.8
98.98473	38.1
99.04470	1.1
99.08098	1.2
105.07032	5.3
107.08587	6.3
109.02859	4.3
109.06515	1.0
109.10168	11.5
111.08051	1.1
111.11725	0.7
116.99537	0.8
117.07109	0.6
119.08591	4.3
121.10145	5.7
121.71614	0.5
123.08102	0.8
123.11717	5.1
127.03880	1.1
131.08575	0.8
133.10133	3.8
135.11707	3.7
137.13275	1.9
145.04919	0.8
145.10136	0.6
147.11720	2.9
149.13286	2.3
150.28232	0.5
151.14841	1.3
153.34378	0.5
155.01050	22.4
155.02292	1.1
161.13272	1.9
163.06009	0.6
163.14868	1.5
173.02162	1.7
175.14810	1.5
177.16382	1.2
189.16252	1.1
243.02568	0.7
245.22711	4.7
261.03760	2.3
263.23679	10.0
317.06299	5.5
319.26318	3.0
335.07376	3.3
337.27377	100.0
338.27710	4.6
407.28015	0.6
425.29071	3.0
473.08508	0.6
561.28375	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01870	0.8
55.05506	12.4
55.71581	0.5
57.03433	5.1
57.07068	2.0
60.79634	0.4
65.03927	0.8
66.04015	0.4
66.16394	0.4
67.05502	36.2
69.03424	0.6
69.07065	13.6
69.07444	0.7
69.54739	1.7
69.55061	0.4
70.86026	0.4
71.04984	1.3
71.08613	1.2
77.40565	0.5
79.05043	0.7
79.05491	11.1
80.71646	0.5
81.03418	4.9
81.07052	33.5
83.04971	1.1
83.08609	6.7
85.02884	0.6
85.06542	0.7
85.10168	0.6
91.05473	5.7
93.07043	11.0
95.04972	0.6
95.08601	23.9
96.08930	0.8
97.06523	1.7
97.10165	3.4
98.98463	35.9
99.04443	0.7
99.08083	0.6
105.07027	4.9
107.08581	6.2
109.02882	4.9
109.10149	11.2
111.08071	1.2
113.09644	0.7
116.99472	0.5
119.08538	3.6
121.10138	4.8
123.08064	0.9
123.11690	3.7
124.71510	0.5
125.09574	0.6
127.03881	0.9
127.11295	0.6
133.10106	3.5
135.11684	3.2
137.13245	1.8
147.11662	2.5
149.13246	1.7
151.14853	1.2
153.12787	0.6
155.01035	21.6
161.13266	2.0
163.14819	1.8
165.16444	0.7
173.02069	1.8
175.14876	1.4
177.16302	0.6
189.16359	0.8
196.66452	0.5
245.22661	4.5
261.03708	2.7
263.23697	9.7
297.12396	1.0
299.05118	1.2
317.06335	5.4
319.26340	1.9
335.07309	4.2
337.27347	100.0
338.27640	4.8
407.28107	0.8
425.28903	2.5
561.27997	2.1
597.27155	4.2
597.36292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.05511	1.6
56.96566	13.9
67.05494	0.8
70.06569	0.6
70.58352	0.9
71.95256	0.5
74.64533	0.5
79.05492	0.9
81.07028	0.5
83.08611	1.1
97.06533	0.9
105.00169	0.8
105.19400	0.5
109.10129	0.7
110.97585	1.2
118.05148	0.6
128.98619	1.3
137.02684	0.9
153.02127	0.7
155.03789	0.7
157.10161	0.6
169.05481	0.5
171.03285	1.3
173.04796	1.0
181.05272	0.6
185.04831	0.9
187.06441	0.8
189.04317	0.6
189.07883	0.8
195.06972	1.4
199.04852	0.8
199.06393	4.0
201.07899	0.6
203.05937	1.9
206.49728	0.7
211.06485	1.7
213.07951	10.0
215.09503	0.6
217.07420	3.0
217.81068	0.5
223.10100	0.8
225.08015	4.1
227.09509	0.8
229.07454	6.8
231.08986	7.5
237.08008	1.5
239.09550	4.1
241.11095	9.8
243.09041	2.8
247.08566	3.7
247.10767	0.6
251.09489	9.1
253.11053	1.2
255.09010	3.3
255.15964	0.9
257.10583	2.4
259.12189	8.7
269.10583	40.2
270.10956	1.5
273.10159	1.2
282.13815	0.7
287.11655	11.5
292.12131	3.5
315.16327	1.1
323.18799	0.8
333.17340	19.5
334.17606	1.0
339.18542	0.9
351.18393	31.4
352.18729	1.1
353.21747	0.8
369.19461	100.0
370.19778	4.4
371.22653	0.8
374.20071	2.6
387.20514	61.0
388.20795	2.0
392.20898	1.0
397.44608	0.6
410.22067	12.8
427.24078	1.0
597.09912	2.4
597.24066	1.1
597.33087	14.1
608.97699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01866	1.4
55.41201	0.8
61.02923	1.5
67.05482	1.3
67.58726	0.8
69.03422	4.1
69.07060	1.1
69.38198	3.0
71.04987	1.0
73.02908	1.3
78.04696	1.0
79.05488	4.0
81.03413	10.0
81.07053	3.5
85.02902	12.4
85.06548	1.5
89.67132	0.8
91.03925	1.1
91.05470	2.5
93.07034	1.8
95.04958	2.8
95.08629	1.1
97.02886	4.3
99.04470	1.1
103.05436	0.9
105.07017	4.5
107.04939	9.7
107.08604	2.0
109.02875	1.1
109.10146	1.8
115.05451	5.7
117.07014	14.5
119.08590	3.7
121.06522	1.2
123.04426	2.4
123.11695	1.0
124.05225	2.7
127.03905	3.3
127.05406	1.0
127.11234	1.1
128.06175	1.0
129.07016	3.6
130.12251	6.2
131.04984	1.2
131.08548	2.7
133.06479	2.5
133.10147	1.6
135.11681	3.0
137.05954	2.2
143.04909	1.4
144.05704	3.0
145.04994	4.7
145.06479	30.5
145.07578	2.0
147.04427	1.0
147.11653	1.0
152.04718	1.7
153.05403	1.9
155.06027	6.3
156.05699	6.9
157.06462	2.1
159.08046	5.8
159.26735	1.0
160.05307	1.1
161.05969	3.9
162.07605	1.2
163.06020	2.4
167.07027	46.5
168.07376	1.4
173.05978	53.2
175.07573	2.5
177.05467	1.1
180.08716	4.5
181.04971	1.6
183.06392	1.0
184.05202	1.1
187.07579	6.7
190.06241	33.5
191.06912	2.9
193.08580	2.7
202.06206	3.3
203.07039	6.8
203.17946	1.9
205.08595	100.0
206.08937	2.4
207.06642	1.5
215.07051	1.6
217.08578	40.3
218.08960	1.5
219.08202	1.1
219.10088	4.6
220.08836	1.0
221.18941	3.4
223.09621	3.3
231.08000	1.1
235.09650	30.8
236.10052	1.1
247.09627	8.3
249.08705	0.9
263.10660	1.3
264.07779	1.8
265.10724	36.9
266.10931	1.1
269.07932	1.1
271.09433	0.9
277.08670	1.3
279.10019	1.9
291.10184	2.6
299.08978	1.0
307.09644	1.2
315.08667	4.6
323.12622	2.1
325.10916	1.2
330.10928	8.6
331.11719	3.7
351.08511	1.1
351.12405	3.2
369.13055	1.4
371.14804	3.0
383.14896	11.4
401.10904	1.4
401.15967	15.1
424.48141	1.2
598.22949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45961	0.6
66.76838	0.8
67.05502	0.8
69.03427	2.2
69.16952	4.2
69.17299	0.8
79.05499	1.6
80.46126	0.7
81.07059	2.2
83.31504	0.6
85.02894	1.2
90.04733	1.0
91.05492	3.5
95.04964	1.0
95.08584	0.9
96.84758	0.6
97.02896	13.9
105.07018	0.8
107.04955	4.4
107.08547	0.7
108.05749	3.0
115.03924	2.5
115.05479	0.8
119.08593	0.8
121.06464	1.6
123.04443	1.0
131.04890	1.2
133.06494	1.8
135.04404	2.1
135.08080	1.3
136.05222	4.6
137.05952	3.2
138.06813	1.6
139.07536	0.8
143.03467	0.7
145.06468	0.9
146.07280	1.9
147.08066	2.5
148.05223	5.1
150.06696	0.9
151.07552	100.0
152.07961	1.4
159.08025	1.7
161.05974	4.0
163.07529	4.5
164.08319	0.8
165.09149	5.9
166.06268	8.8
167.07042	2.8
171.08017	0.8
173.05957	1.3
173.09711	0.8
174.06828	1.0
175.07581	0.8
176.08333	2.8
177.09122	8.9
179.07053	1.0
179.10667	1.6
180.07805	1.4
181.08607	57.9
186.10405	0.8
187.07573	1.5
188.08342	2.4
189.09163	4.1
190.09827	2.1
191.10692	4.5
191.46028	0.7
192.07773	0.7
193.08688	3.3
195.10173	3.9
201.09151	1.3
202.09952	3.4
203.06995	0.8
203.10710	5.9
205.08594	1.2
207.10176	2.5
216.11429	2.1
217.08699	1.0
217.12262	7.4
219.10268	1.6
221.11714	2.3
233.11694	4.4
235.13423	1.0
247.13333	5.0
251.12799	1.3
265.14401	1.1
295.10068	0.7
339.16006	1.0
353.17346	0.9
354.18314	1.9
370.17737	8.4
385.20129	37.6
386.20535	1.0
395.18634	0.7
398.37903	0.7
403.21176	24.3
404.21515	1.6
413.19363	0.8
431.20807	1.1
554.22754	1.5
598.22430	2.1
599.26025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.05512	15.3
57.02084	4.0
57.47675	4.0
61.02927	4.2
67.05514	13.1
69.03448	5.3
69.07064	15.9
69.07412	4.5
71.04994	18.9
71.05555	4.2
79.05492	15.5
81.03411	7.1
81.06623	6.0
81.07054	72.4
83.08630	5.7
85.02901	26.7
91.05481	15.0
93.07040	37.1
95.08602	26.7
97.02864	9.9
105.07021	33.1
107.08582	43.4
109.10155	49.4
112.83313	4.0
117.07133	5.1
119.08594	60.3
119.72118	4.0
121.10164	13.2
123.11722	16.5
124.73469	3.5
125.09658	5.6
127.03883	6.5
127.11199	34.9
131.08522	5.1
133.10170	26.8
135.11682	83.9
137.05960	14.1
137.13223	7.6
143.10664	27.0
145.04912	9.0
145.10060	4.5
147.11681	24.5
149.13223	8.5
153.12740	6.1
159.11685	5.1
161.13245	16.2
163.14816	6.5
175.14798	5.0
177.05490	7.3
180.24252	4.0
186.40135	3.8
203.17953	68.6
221.18991	100.0
221.21150	6.0
274.87021	4.1
516.98090	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.1
66.55289	1.3
67.05505	12.3
69.07065	2.0
79.05515	9.4
81.07063	10.8
86.09711	100.0
91.05479	14.6
93.07053	9.1
95.05026	2.0
95.08633	7.0
98.22679	2.9
105.07050	6.4
107.08625	6.0
109.10198	2.9
115.87447	1.9
117.07040	2.7
119.08586	7.8
121.10176	7.2
123.03989	1.5
129.06995	2.1
131.07780	1.7
131.08565	8.3
132.10216	38.1
133.10139	4.4
143.08546	3.3
144.09254	2.0
145.10176	6.7
147.11731	1.7
157.10139	3.9
159.11685	3.1
171.11760	2.0
173.13251	2.3
179.65718	1.9
185.13226	3.1
187.14973	2.4
212.45802	1.6
295.78006	1.9
302.18802	1.5
538.30688	1.7
594.38159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2498
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
51.46900	4.3
59.03263	4.1
69.78761	12.7
76.26615	4.7
81.07034	6.5
92.86518	4.6
93.07014	5.4
98.22805	5.6
119.08615	5.1
221.15292	7.0
221.47601	6.3
283.89886	4.6
353.17569	5.5
354.18365	6.0
369.20615	12.7
371.67346	5.5
379.19315	9.7
397.20108	8.0
425.19678	17.0
451.21283	9.2
512.24066	30.3
539.22839	44.3
599.25043	100.0
599.39874	9.4
600.24872	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
61.38909	0.3
62.18216	0.4
63.95114	0.3
67.05512	0.5
69.03422	0.4
69.60304	1.2
79.05476	0.6
81.03423	0.6
82.12366	0.3
85.02917	0.5
93.07039	0.5
97.06539	1.5
99.37550	0.3
105.07037	0.6
111.62801	0.3
115.44829	0.3
120.08124	0.4
121.10143	0.4
131.08560	0.4
133.10223	0.4
135.04419	0.4
137.05968	0.5
151.07603	0.9
156.62561	0.3
157.74805	0.4
185.04279	0.4
203.05209	2.1
259.07889	2.7
275.16208	4.9
329.08575	0.3
331.15466	1.2
347.09454	39.3
348.09961	0.9
355.15378	2.6
373.16296	0.7
469.85507	0.4
483.55771	0.4
599.26678	100.0
600.26910	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3189
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.03940	1.4
55.01863	1.4
55.05258	1.6
55.05508	20.4
57.03437	6.1
57.07074	7.6
60.01079	1.2
67.05497	19.3
68.03748	1.2
69.03424	2.0
69.06707	2.2
69.07064	28.9
69.49800	4.7
71.04981	1.6
71.08622	2.4
79.05487	12.9
81.03409	4.9
81.06277	1.2
81.07054	20.6
83.04991	2.0
83.08607	17.2
85.02903	1.7
85.06540	2.0
85.10178	1.9
86.09697	3.3
91.05466	8.8
93.07041	17.0
95.04953	4.6
95.08601	21.3
97.06516	5.0
97.10165	9.8
98.98458	35.1
105.07021	11.4
107.04935	1.8
107.08592	12.5
109.02876	4.1
109.06467	1.9
109.10142	10.8
111.08067	2.0
111.11700	3.9
113.07079	1.1
113.09638	1.6
115.05449	1.3
117.07032	3.6
119.08553	10.5
121.06522	2.1
121.10133	21.6
123.08064	3.7
123.11658	2.9
125.09632	1.6
126.93615	1.2
129.07008	2.6
129.66003	1.2
131.08563	6.0
133.06436	1.9
133.10129	6.1
135.08017	2.3
135.11728	7.2
137.09593	1.8
141.07072	1.6
142.07819	1.9
143.08566	3.1
145.10104	7.0
147.08025	3.2
147.11719	1.5
149.09624	3.9
149.13237	3.7
150.21844	1.2
151.07538	3.1
155.01015	26.1
155.08504	1.9
156.09341	1.6
157.10120	6.3
159.08006	2.2
159.11688	5.0
163.11180	1.9
165.09137	3.4
167.09267	1.4
167.10655	24.1
169.10095	3.5
171.11668	4.5
173.02112	1.9
173.09613	1.4
173.13138	2.7
175.14932	1.7
178.07935	1.4
179.08711	1.2
181.10104	3.5
181.12157	1.4
183.11670	4.0
185.13307	1.7
189.04446	1.1
189.12802	1.6
191.01775	1.1
193.10133	1.4
195.11664	3.5
197.13251	2.5
203.14267	2.0
209.13326	2.0
211.14844	1.9
219.13835	1.5
221.13385	2.1
221.15372	8.0
229.15967	1.4
233.15366	4.8
239.28397	1.1
249.49818	1.1
263.18036	1.3
265.25220	7.4
275.20142	1.9
289.17960	1.5
299.19977	1.9
311.78488	1.2
317.06253	1.9
319.77481	1.5
325.30148	1.3
335.07278	1.7
339.28903	100.0
340.29120	3.6
365.24905	1.5
427.30472	2.2
507.34280	1.8
563.29852	3.4
581.39130	4.8
599.41107	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.9
55.05511	8.6
57.03411	1.8
57.07069	5.6
64.35164	2.1
67.05501	19.2
69.03433	7.8
69.07072	17.0
69.10291	5.2
69.10696	7.5
74.10934	1.8
76.47956	2.0
79.05483	16.6
81.07059	20.7
83.04984	4.9
83.08620	7.0
85.06530	2.5
86.19157	2.2
91.05475	22.6
93.07043	43.2
95.04952	9.4
95.08611	24.6
95.09235	2.8
97.06524	6.7
97.10194	3.1
103.05469	3.8
105.07027	32.9
107.04944	3.4
107.08588	20.5
109.06536	8.4
109.10162	11.8
111.08082	2.5
111.11742	4.7
117.07051	8.6
119.08582	30.1
121.06546	5.0
121.10143	59.7
123.08064	13.8
123.11681	5.9
125.09667	3.4
128.06248	3.1
129.07043	6.8
131.08562	13.6
133.10130	19.3
135.08011	10.2
135.11714	7.8
137.09604	5.8
139.11203	5.9
142.07799	6.4
143.08575	14.0
144.09381	2.6
145.10120	20.8
147.08040	6.7
147.11713	7.7
149.09644	14.4
149.13295	2.5
151.07509	15.6
155.08582	6.9
156.09381	6.1
157.10117	16.2
159.08063	6.4
159.11728	13.8
161.09624	6.5
161.13271	5.7
163.07521	1.8
163.11177	5.8
165.09108	11.2
165.68010	2.0
167.08577	3.9
167.10678	100.0
169.10130	14.0
170.10867	2.2
171.11623	12.5
172.12590	2.4
173.09671	5.1
173.13307	8.5
175.11241	2.2
175.14825	6.0
180.09300	2.7
181.10100	5.3
181.12260	4.3
182.10933	2.7
183.11687	9.3
185.09621	3.2
185.13271	6.7
187.11154	3.2
187.14836	3.8
189.12802	5.6
191.14328	3.9
193.10207	1.9
194.11029	2.3
195.11731	6.2
197.13315	8.6
199.11211	2.6
199.14893	3.4
201.12827	2.5
203.14345	6.6
205.15884	4.0
207.11899	4.0
207.13800	4.0
209.13321	8.8
209.15182	2.1
211.14798	4.0
213.16429	3.1
215.10770	2.0
215.14359	2.2
217.10190	2.9
219.11752	2.6
220.12495	2.2
221.13255	8.4
221.15414	23.0
223.14838	3.3
225.12733	3.1
227.14240	3.4
233.13251	2.2
233.15370	23.5
235.14871	2.3
237.12674	2.3
247.17055	4.2
265.25229	2.0
273.18423	3.4
283.20575	3.1
285.18893	2.7
299.20190	3.8
339.29123	6.1
377.24973	3.4
391.26419	2.4
507.33911	2.6
581.40021	14.3
599.40894	84.3
600.41461	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03956	2.3
54.88087	1.1
55.05510	23.4
55.68737	1.0
55.90678	1.1
56.06608	1.2
57.03426	7.3
57.07077	11.7
59.04990	1.8
65.03939	1.8
67.05505	24.7
69.03442	4.7
69.07065	35.3
71.04963	3.2
71.08629	2.9
77.03922	1.3
79.05492	18.6
81.03425	5.9
81.07053	31.9
83.04993	4.8
83.08616	19.5
83.09089	1.3
85.06567	3.5
91.05488	15.1
93.07041	35.8
94.22787	1.1
95.04955	8.8
95.08607	29.5
97.06525	6.8
97.10174	10.8
97.96314	1.2
98.98465	39.6
98.99096	2.4
103.05515	1.5
105.04482	1.3
105.07027	23.7
107.04943	1.7
107.08590	20.2
109.02898	4.2
109.06520	8.3
109.10163	16.4
111.08115	2.4
111.11737	4.2
113.09636	1.3
115.05470	1.2
117.07030	4.1
119.08572	23.7
121.06510	4.5
121.10142	47.0
123.08064	10.6
123.11733	5.1
125.09620	2.4
128.06216	1.9
129.06973	5.9
130.07800	1.8
131.08571	11.3
133.06480	2.1
133.10127	14.6
135.08075	5.1
135.11676	10.8
137.09633	3.8
139.11191	3.1
141.06976	3.2
142.07823	3.3
143.08554	11.6
144.09366	2.4
145.06462	1.6
145.10120	18.1
147.08089	5.6
147.11687	6.5
149.09615	10.3
149.13261	2.9
151.07533	12.6
154.07748	1.3
155.01036	24.9
155.08577	5.4
155.10646	1.6
156.09366	3.9
157.10149	14.1
159.08055	3.5
159.11688	10.5
161.09631	5.3
161.13298	3.3
163.06065	1.7
163.11183	3.5
163.14781	1.4
165.07057	1.8
165.09114	7.1
167.08589	2.8
167.10675	57.9
168.09338	1.8
169.10129	8.2
170.10985	1.9
171.11687	10.5
173.09645	3.6
173.13295	5.2
175.11182	2.3
175.14864	3.5
177.09166	2.4
179.08594	2.8
180.09386	2.4
181.10175	4.7
181.12303	3.7
182.10930	3.5
183.11710	8.8
184.12456	1.1
185.09644	1.8
185.13289	4.6
187.11201	3.3
187.14825	3.1
189.12772	5.4
192.09390	1.7
193.10201	3.7
194.10951	2.2
195.11681	6.7
196.12398	2.3
197.09573	2.2
197.13290	8.0
199.11230	2.8
199.14851	2.2
201.12665	2.7
203.14342	4.6
206.10982	2.4
207.11708	6.3
207.13838	4.4
208.12563	2.6
209.13286	7.1
209.15240	2.8
210.13980	1.5
211.11281	1.7
211.14828	2.8
213.12860	2.0
213.16394	2.3
215.14317	2.0
217.10225	1.8
217.15891	1.4
220.12389	1.6
221.13289	4.2
221.15425	19.0
222.13954	1.6
223.14806	5.1
225.12810	1.5
225.16350	1.6
231.11839	1.5
232.12570	1.5
233.13206	3.0
233.15302	17.0
235.14729	2.8
237.16505	1.8
239.14316	2.3
241.16078	1.5
247.14832	1.9
247.17050	3.7
247.24261	3.0
249.16479	3.7
251.14389	2.4
251.18076	2.2
257.13376	1.9
261.16388	2.1
265.16003	1.6
265.25244	7.2
269.19092	1.5
273.18649	1.9
286.19284	2.4
295.20694	1.4
297.18600	1.5
299.20242	3.1
311.20041	2.2
317.06348	2.9
323.20435	1.6
335.07361	2.2
339.28925	100.0
340.29233	8.4
361.25269	1.6
365.24905	2.3
377.25085	1.5
390.24023	1.2
391.26068	1.7
427.30594	3.7
525.33679	1.6
563.29675	3.6
581.39777	11.8
599.40918	58.0
600.41528	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
55.05505	16.4
57.03428	4.8
57.07078	9.3
59.04995	3.7
60.05607	1.3
67.05509	15.1
69.03410	3.5
69.06709	2.1
69.07066	27.3
71.08620	2.6
71.47134	1.7
77.03918	1.7
79.05492	16.1
81.03390	1.9
81.07048	24.4
83.08614	13.3
85.06532	1.8
90.76040	1.6
91.05480	14.9
93.07040	43.6
95.04957	5.5
95.08600	27.6
97.06520	5.2
97.10149	7.1
98.98461	20.1
99.04472	1.7
103.05482	2.3
105.07021	29.3
107.08603	13.7
109.02873	1.9
109.06517	5.4
109.10157	11.2
111.08057	2.6
111.11725	3.4
117.07021	5.0
119.08578	19.4
121.06483	3.5
121.09267	2.8
121.10140	58.1
123.08086	8.8
123.11707	3.6
125.05893	1.4
125.09631	3.4
128.06236	2.7
129.07024	6.0
130.07791	1.7
131.08568	10.3
133.06526	2.1
133.08583	1.3
133.10114	10.5
135.08055	5.4
135.11678	5.9
137.09618	4.0
137.13319	1.3
139.11185	3.9
142.07767	5.7
143.08572	7.9
145.10117	16.8
147.08046	7.9
147.11656	4.1
149.09586	7.2
149.66078	1.4
151.07573	7.8
155.01015	14.3
155.08559	5.5
155.10594	1.5
156.09351	5.2
157.10127	11.2
159.08064	4.8
159.11656	7.5
161.09546	3.4
161.13248	3.4
163.11218	1.9
165.07016	1.6
165.09145	10.2
167.10669	100.0
168.09319	2.1
169.10123	5.7
171.11687	8.3
173.09587	1.8
173.13237	3.3
175.11194	2.6
179.08530	2.0
180.09331	2.1
181.10144	3.8
181.12070	2.8
182.10873	3.8
183.11705	6.4
185.09671	1.7
185.13210	4.6
187.11188	4.1
187.14873	2.6
189.12727	3.6
191.10709	1.8
191.14337	1.8
193.10109	3.4
194.10988	1.8
195.11731	5.2
196.12364	1.5
197.13268	5.6
199.14862	2.4
203.14258	3.8
207.11626	4.9
207.13652	3.5
209.13237	6.2
209.15067	1.9
211.14804	2.9
215.14394	1.7
219.11786	2.1
219.13803	3.4
221.13252	3.7
221.15305	19.1
223.14900	3.4
225.80870	1.4
227.14322	2.0
233.15314	19.3
235.14787	2.3
237.16354	2.8
247.14679	1.9
247.24203	1.8
247.46085	1.6
265.25134	6.5
275.14688	1.5
281.19119	2.0
285.18631	2.1
285.90570	1.4
286.19226	3.0
299.20151	3.4
311.20160	3.3
313.21594	2.7
317.06317	3.4
335.07260	2.2
339.28903	74.5
340.29306	1.6
361.25500	2.7
365.24561	1.6
391.26004	2.3
427.30429	1.9
507.34747	1.7
519.34265	1.6
563.38519	2.2
581.39893	10.6
599.25427	3.0
599.41296	56.8
600.41034	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63157	0.2
55.05516	0.2
65.03927	0.3
67.05507	0.3
69.16153	1.5
75.04453	0.5
79.05502	1.2
80.06248	0.4
81.03441	0.3
85.02882	0.6
89.97682	0.3
90.04693	0.6
91.05470	3.2
93.07037	0.7
95.04959	0.7
95.10462	0.2
97.06502	0.6
103.05457	1.2
105.03395	0.3
105.04504	0.3
105.07021	0.9
106.04158	0.6
107.04250	0.4
107.04955	5.2
108.05751	2.9
109.06491	0.8
115.05448	0.4
117.06964	0.5
118.04146	0.4
120.05696	0.4
120.08089	0.7
121.06524	1.7
123.04431	0.6
123.08070	0.6
128.06265	0.2
129.07028	0.5
131.04922	1.1
133.06441	1.0
134.09595	0.3
135.04387	1.5
135.08060	0.8
136.05203	4.5
137.06006	1.9
138.06770	1.3
139.07649	0.3
145.06477	1.1
146.07243	1.0
147.08078	1.6
148.04071	0.4
148.05191	6.0
149.05954	0.5
149.09608	0.5
150.06767	1.3
151.07538	100.0
152.07881	1.9
153.09113	0.3
157.06488	0.4
158.07260	0.4
159.08005	1.2
160.08887	1.2
161.05997	2.6
161.09604	0.5
162.06773	0.5
163.07545	3.7
164.08310	0.8
165.05463	0.8
165.09106	4.5
166.06255	8.6
167.07060	2.2
168.07768	0.3
171.08069	0.6
172.08844	0.9
173.05925	0.9
173.09584	0.5
174.06685	0.6
175.07555	1.1
176.08311	2.1
177.05605	0.3
177.09106	8.7
178.09789	0.3
179.07002	0.5
179.10631	1.7
180.07797	0.4
181.08591	59.8
182.08969	1.7
186.10356	1.2
187.07547	1.5
188.08319	2.2
189.09077	3.2
190.09915	1.3
191.07008	0.7
191.10672	4.1
192.07768	0.6
193.08585	2.8
194.09383	0.4
195.10127	2.0
199.39160	0.3
201.09123	1.6
202.09866	2.4
203.07083	0.3
203.10674	4.2
204.07761	0.3
205.08560	0.8
205.12215	0.5
206.09312	0.5
207.10143	2.7
207.11957	0.3
215.10692	0.6
216.11469	2.0
217.08595	0.7
217.12218	4.4
218.09401	0.4
219.10167	0.8
221.11693	2.3
231.10179	0.3
233.11700	2.0
235.13251	1.3
247.13289	2.2
251.12814	1.2
265.14429	1.6
275.37869	0.3
323.16391	0.3
331.15433	0.4
339.15823	0.4
353.17538	1.9
354.18231	2.5
355.15298	0.7
355.19235	0.5
370.17728	10.6
371.18228	0.9
373.16425	0.4
385.20074	36.0
386.20444	1.7
403.21152	31.5
404.21658	1.5
421.22543	0.5
441.71042	0.3
574.31885	0.3
600.25977	0.3
601.25555	0.3
601.34094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09534	3.2
53.03939	3.3
55.01873	3.1
55.05508	25.3
57.07068	12.5
59.04982	8.0
65.03928	6.2
67.05504	32.2
69.03432	12.6
69.07068	25.7
69.14967	17.6
70.06583	15.6
72.21010	3.4
73.11438	3.9
79.05495	40.9
81.07053	50.7
83.04981	17.1
83.08618	12.7
85.06526	10.4
86.09702	3.5
89.06031	6.7
91.05473	59.0
93.07040	77.0
95.04957	28.1
95.08602	50.5
97.06538	10.1
97.10163	4.9
103.05431	4.4
104.62247	3.3
105.04525	4.1
105.07027	99.7
107.04935	7.0
107.08584	58.7
109.06541	28.5
109.10143	27.3
111.08076	9.1
115.05480	9.1
116.07052	23.8
116.08250	5.2
117.07014	20.5
119.06144	3.8
119.07214	3.4
119.08585	81.9
121.06505	16.0
121.10139	58.9
123.08065	36.1
123.11695	6.5
125.06007	7.8
125.09647	13.2
128.06236	15.0
129.06987	28.6
130.07773	9.7
131.08557	49.8
133.06487	11.0
133.10126	57.6
135.08055	31.7
135.11673	19.6
137.09633	13.9
141.06996	14.0
142.07762	28.5
143.08546	57.3
144.09323	14.3
145.06494	6.8
145.10121	60.3
146.10851	5.0
147.08028	31.9
147.11702	13.7
149.09608	16.4
149.13292	4.7
151.07527	17.0
151.11203	3.8
153.06984	6.4
153.09053	3.4
154.07784	3.9
155.08549	20.7
156.09315	24.1
157.10121	80.0
158.10887	13.0
159.08060	22.0
159.11658	40.2
161.09613	18.3
161.13283	10.2
163.11185	13.4
165.06996	8.1
165.09123	36.7
166.07704	5.3
167.08571	14.1
167.10649	18.7
168.09380	7.4
169.10118	31.5
170.10915	9.4
171.08069	5.7
171.11693	40.3
172.12395	6.5
173.09627	13.7
173.13255	16.1
175.11169	24.6
175.14815	5.5
177.09084	5.4
177.12746	5.2
179.08585	12.0
179.10704	5.7
180.09282	4.9
181.10051	18.5
181.12245	10.9
182.10901	11.6
183.11678	26.1
183.62050	4.4
184.12524	4.0
185.09677	9.0
185.13261	24.5
186.10493	3.4
187.11180	11.5
187.14774	10.5
189.12720	17.0
190.13550	12.8
191.14299	4.3
193.10165	16.9
193.12114	7.5
194.10910	7.0
195.11723	25.4
195.13536	5.3
196.12457	9.1
197.09717	7.3
197.11656	6.9
197.13266	27.0
199.11205	13.1
199.14836	10.0
201.12817	8.8
201.16272	3.8
203.14294	26.1
204.09238	3.6
205.12199	3.4
206.11021	5.0
207.11699	14.2
207.13814	12.8
208.12430	7.0
208.14525	7.5
209.13255	21.3
209.15204	5.1
210.10617	3.4
210.13913	5.9
211.11281	5.4
211.14793	15.3
213.12772	12.7
213.16362	6.1
215.10567	3.9
215.14195	4.7
218.10854	4.2
219.11732	5.2
219.13802	8.9
220.12502	3.8
220.52405	3.8
221.13245	16.8
221.15311	93.4
222.15807	6.5
223.14830	13.1
225.12932	5.0
225.16370	7.8
227.14404	4.5
231.11697	6.7
232.12520	6.1
233.13266	6.0
233.15366	25.8
234.16142	14.5
235.14781	10.7
236.15291	3.6
237.12657	5.1
237.14549	29.7
237.16829	7.6
239.17906	4.0
241.15910	4.1
245.13237	5.3
246.14026	5.8
247.14798	6.4
247.16986	7.5
247.24059	4.6
248.14076	9.5
249.16414	9.3
253.16008	9.4
255.17455	33.6
259.14694	5.6
259.17130	7.2
261.16232	5.0
263.18109	5.9
265.25348	7.5
267.17575	3.0
270.19763	10.0
271.16998	8.0
273.18549	7.4
274.19223	7.4
275.17780	4.2
279.17581	7.1
281.19043	8.4
281.77768	3.9
285.18634	4.8
286.19214	10.9
287.20029	12.0
291.19611	9.6
295.20502	5.4
297.18613	5.2
299.20050	14.2
300.92053	3.4
303.19495	48.1
312.20731	6.5
313.21640	16.5
325.21774	16.8
337.21542	9.9
339.28943	12.4
349.25266	3.9
352.23950	100.0
353.24146	6.6
357.29868	6.8
365.24808	19.2
383.25748	10.3
420.30640	4.7
487.31488	3.7
502.34470	10.3
503.35425	5.2
505.33322	5.7
507.34656	12.9
508.34543	3.7
520.35419	43.7
521.35315	5.0
582.40283	4.1
600.41614	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43040	2.3
53.03938	4.2
55.01867	2.5
55.05504	20.1
56.44522	2.1
57.07057	8.9
59.04988	1.9
65.03922	5.9
67.05504	35.8
68.17027	1.9
69.03416	18.2
69.07057	21.6
69.88105	6.5
71.04977	8.0
77.03925	3.3
79.05481	40.2
81.07054	41.4
83.04967	21.4
83.08623	16.8
85.06529	10.4
87.04440	3.9
91.05467	61.4
93.07038	75.7
93.84578	2.0
95.04964	29.7
95.08601	40.9
97.06519	21.1
103.05470	6.4
105.04518	3.3
105.07022	99.0
106.07282	2.9
107.04961	4.5
107.08587	73.1
109.06503	27.3
109.10149	38.3
111.04482	2.4
111.08070	8.9
113.09628	7.5
115.05448	9.0
116.06191	4.0
117.07014	29.3
118.07872	2.5
119.04949	2.5
119.07745	4.7
119.08572	92.9
121.06522	14.0
121.10129	65.1
122.07236	4.0
123.07253	3.6
123.08064	36.6
123.11666	11.0
125.05964	3.5
125.09615	17.5
128.06210	16.6
129.06990	26.9
129.09081	2.5
130.07831	11.3
131.08559	50.6
131.10768	2.1
132.09332	4.6
133.06461	6.0
133.10112	59.5
134.10843	2.7
135.08063	26.4
135.11650	15.6
136.08777	4.0
137.09612	13.0
139.11185	7.4
141.06982	13.3
142.07771	33.7
143.08554	61.3
144.09348	18.8
145.06464	5.7
145.10112	87.4
146.10670	4.4
147.08044	21.9
147.11693	29.5
148.08835	2.7
149.09596	22.9
151.07527	7.2
151.11125	5.8
153.06943	5.8
153.09004	3.6
154.07704	4.5
155.06020	2.8
155.08534	25.8
155.10629	15.6
156.09329	28.8
157.10106	100.0
158.07280	2.1
158.10892	14.3
159.08046	25.0
159.11690	57.1
160.08809	8.3
161.09601	20.4
161.13242	9.3
163.11209	12.1
165.06976	9.5
165.09081	12.7
166.07758	4.8
167.08502	13.5
167.10658	26.8
168.09288	8.1
169.10097	38.4
170.10898	12.9
171.08029	2.2
171.11681	59.9
172.08885	2.5
172.12357	6.3
173.09592	14.3
173.13255	27.0
175.11163	23.5
175.14844	8.9
177.12735	7.0
178.07715	2.3
179.08563	17.2
179.10638	4.1
179.14293	2.5
180.09315	8.2
181.10091	24.2
181.12183	9.0
182.10918	12.2
183.11681	42.9
184.12390	7.8
185.09590	6.7
185.13251	32.2
186.10327	2.7
186.14014	6.3
187.11215	11.6
187.14745	14.1
188.11826	2.5
189.12749	13.9
190.13432	5.0
191.14282	8.8
192.09323	8.2
193.10110	20.7
193.12029	3.8
194.10832	12.9
195.11679	41.8
196.12473	10.2
197.09631	4.6
197.13234	46.5
198.13782	5.6
199.11172	10.9
199.14789	22.2
200.11986	3.4
200.15506	3.2
201.12711	10.4
201.16336	6.1
203.14259	21.7
204.14813	2.2
205.10126	5.8
205.15739	2.2
206.10843	9.0
207.11633	23.1
207.13742	7.3
208.12410	10.9
208.14301	3.4
209.09805	3.3
209.13258	34.4
209.15207	5.2
210.14014	9.9
211.11147	8.2
211.14796	30.4
212.11909	5.3
213.12767	15.4
213.16351	9.6
214.13443	4.4
215.14276	14.9
217.10115	4.7
217.15855	5.5
218.10941	3.7
218.16620	6.8
219.11627	8.0
219.13809	5.5
220.12468	7.9
221.13211	25.2
221.15358	41.7
222.13974	8.2
222.15860	2.5
223.11267	3.6
223.14764	25.9
224.15576	5.3
225.12697	8.8
225.16280	11.4
226.13617	3.4
227.14291	10.5
227.17853	3.1
229.15833	8.3
231.11589	6.9
232.12505	3.3
232.14618	3.1
233.13194	9.0
233.15298	31.6
234.13962	4.1
234.16086	10.1
235.14793	17.7
235.16850	3.9
236.15451	5.2
237.12560	4.9
237.16566	19.5
238.13423	2.8
239.14281	7.6
239.17860	6.8
240.14980	2.3
241.15843	6.3
245.13187	4.9
245.15410	4.7
246.13930	4.9
246.16154	6.1
247.14781	12.4
247.16895	3.8
248.15601	4.2
249.16304	14.0
250.17210	4.3
251.14253	5.3
251.17876	10.1
252.18718	2.7
253.15843	6.7
255.17416	53.7
256.17899	3.4
257.13083	2.6
257.19131	2.5
258.13916	2.9
259.14719	5.7
260.15485	4.0
261.16379	10.1
263.14136	3.0
263.17957	12.1
264.18573	2.4
265.15912	4.1
265.19418	9.9
267.17487	3.7
268.18243	5.6
269.19025	11.1
270.19781	11.6
271.14532	3.1
271.17142	3.7
271.20465	3.5
273.16028	3.9
273.18524	8.3
275.17850	6.2
277.19489	5.3
279.17365	4.7
281.18982	12.7
282.19614	6.0
283.17255	3.6
283.20499	7.7
285.18436	8.7
286.19388	5.1
287.20105	8.2
289.19360	4.4
293.18872	3.6
294.19666	3.5
295.20401	10.7
296.21280	3.4
297.22037	3.1
297.63055	2.4
299.20209	12.2
305.18994	2.3
307.20566	5.7
309.18530	2.9
309.21973	3.3
311.20139	2.9
313.21716	4.6
315.20914	3.6
317.22354	2.8
319.20444	3.7
325.21539	3.8
329.22354	4.3
333.22168	2.9
335.23801	4.4
345.22095	3.1
347.23712	8.5
348.24289	2.7
351.22986	2.8
352.23874	9.4
359.23584	2.7
360.24429	4.8
361.25171	3.9
363.23190	3.0
365.24683	14.0
371.23785	2.9
373.25241	3.8
377.24786	2.6
383.25800	15.6
453.30936	2.5
462.23123	2.3
507.34875	3.6
520.35254	2.7
549.36786	3.4
567.38312	6.5
582.39673	3.1
585.38873	4.7
600.41534	25.8
601.41650	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.7
60.69762	2.8
67.05502	8.6
69.07055	4.4
69.12720	18.4
71.84867	2.7
77.06440	2.5
79.05475	15.6
81.07056	23.0
86.09700	11.7
89.06013	4.1
91.05474	13.1
93.07035	9.9
95.04942	16.3
95.08604	9.4
97.10181	4.6
98.23436	6.5
105.07025	11.9
107.04920	3.5
107.08610	5.9
108.44732	2.8
109.10159	2.9
117.07009	8.5
119.08596	16.6
121.06505	3.8
121.10139	6.1
123.08073	3.5
125.09595	3.4
129.07001	7.2
131.08586	10.8
132.10201	3.8
133.08566	3.1
133.10095	5.0
135.08093	3.0
143.08528	3.8
145.10162	14.3
146.11748	3.3
147.08032	8.7
157.10178	5.0
159.11659	4.1
163.11211	3.5
221.15347	6.5
249.14783	6.4
273.18497	8.0
291.19516	100.0
292.19742	4.4
296.25854	2.8
426.19565	6.6
452.21640	9.0
512.23743	3.3
513.24469	12.4
527.81946	3.5
540.22931	20.3
600.25305	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
65.76908	0.3
67.05486	1.0
68.67879	0.4
69.07053	0.8
69.21777	1.7
73.88426	0.3
79.05486	1.1
81.07042	1.4
86.09701	0.3
91.05453	0.6
93.07030	1.0
95.08591	1.0
105.07068	1.0
107.08589	0.8
115.03691	2.5
119.08577	0.9
121.10123	1.1
131.08559	0.7
133.03476	0.6
145.10149	0.5
146.97241	0.7
147.08073	0.4
149.02097	1.5
157.10168	0.4
185.02927	0.4
189.50845	0.4
212.98288	0.6
230.99344	3.2
249.00508	2.3
275.20239	0.5
281.01712	0.5
301.20148	2.8
323.04059	0.6
341.05087	7.1
342.22726	0.4
357.23831	0.5
373.41135	0.4
375.25037	100.0
376.25342	3.6
417.25952	1.2
503.30099	1.8
541.23169	0.6
583.25513	4.5
601.26123	10.0
601.41180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2703
Annotation	Ilicifolioside B
Peak:m/z	Relative Intensity
53.03931	1.7
55.01863	1.5
55.05486	1.8
57.03443	12.2
59.04974	1.4
61.02924	11.7
67.05502	51.5
69.03070	1.9
69.03429	25.1
69.68105	1.9
69.68490	2.9
70.06582	3.7
71.01339	1.4
71.04976	3.1
72.08158	1.9
73.02540	1.6
73.02915	21.5
81.03423	6.6
81.07047	5.2
83.08619	7.2
84.08126	3.4
85.02903	100.0
85.06544	12.6
86.09690	3.6
87.04469	2.2
88.64510	1.2
91.03944	3.3
91.89771	1.1
93.07001	1.2
97.02892	42.9
98.23376	2.4
99.04440	3.6
103.03915	1.1
109.02867	7.5
109.10155	68.1
115.03929	22.5
127.03923	22.7
127.11189	45.3
129.10228	3.0
133.04953	6.9
133.06506	1.1
145.04956	42.3
163.06001	24.7
174.44810	1.2
223.05901	2.0
241.06979	2.6
259.08075	4.0
295.10223	8.2
325.11279	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81745	0.7
69.82133	0.9
96.01865	0.6
97.02663	0.5
108.10571	0.3
134.73897	0.3
157.04745	2.1
166.19232	0.4
167.22681	0.3
184.03413	2.3
185.04207	6.5
201.03737	2.8
241.14037	0.3
259.07922	0.5
269.13589	2.4
275.07425	1.0
301.08939	0.7
318.09143	0.7
331.09982	4.8
345.11594	0.7
359.13300	0.4
373.14621	0.8
387.16623	0.8
401.17880	0.5
402.18753	0.9
431.18854	100.0
432.19269	4.2
457.20523	0.9
459.22159	2.4
468.50308	0.4
487.21405	3.6
488.21738	0.4
533.22217	0.5
601.28357	8.8
601.38855	0.4
601.42645	0.8
602.28650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
55.01869	10.8
55.05513	10.8
57.03436	17.2
65.03935	6.4
67.05510	22.7
68.99776	5.2
69.03423	54.2
69.07057	8.5
71.01338	4.8
71.04993	17.5
71.46613	4.0
73.02914	11.3
75.04475	17.9
79.05488	21.0
81.03416	38.1
81.07056	70.6
83.04987	17.4
85.02903	90.2
85.06535	5.6
86.09706	3.5
87.00832	30.7
87.04450	6.7
88.75703	3.5
91.05473	35.6
93.07043	57.2
95.04959	39.6
95.08624	38.4
97.02888	47.9
97.06535	29.6
97.21879	4.0
99.04448	43.6
100.11253	56.0
101.06016	18.9
103.05502	4.3
105.01866	30.0
105.07034	71.8
107.04993	4.0
107.08594	62.2
109.02884	31.9
109.06499	29.2
109.10158	39.5
111.04463	9.7
111.08096	8.2
113.05971	7.4
115.03943	7.0
117.07020	13.6
119.04930	4.1
119.08580	100.0
120.08112	18.8
121.06538	13.5
121.10136	28.2
123.08047	13.1
123.11729	6.3
124.06232	3.6
125.06008	9.3
125.10907	3.8
127.03913	55.0
127.07545	9.5
128.06264	5.8
129.01825	6.1
129.06982	9.2
130.06523	6.0
131.08572	27.0
133.06468	4.4
133.10123	57.2
135.08083	9.0
135.11691	20.7
136.07547	5.4
137.05984	14.0
137.09648	10.4
139.07498	8.0
141.05452	8.1
142.07759	8.9
143.08575	16.8
145.04977	27.5
145.10124	52.4
146.06061	3.8
147.08086	12.2
147.11653	45.5
149.09631	5.9
149.13223	4.6
151.07489	4.4
151.11195	12.2
155.07088	3.7
155.08519	10.8
157.08638	14.9
157.10144	34.3
159.02934	13.4
159.08070	5.4
159.11700	45.3
161.09618	12.3
161.13248	17.5
163.11212	5.5
164.07137	5.1
165.09099	10.2
169.10144	18.2
171.11681	11.5
173.08249	6.9
173.09602	12.6
173.13286	19.0
175.09868	4.1
175.11163	24.6
175.14891	5.0
179.10588	5.9
183.10057	4.3
183.11670	12.8
185.09532	4.2
185.13246	13.7
187.11223	7.1
187.14795	24.6
193.12299	10.0
195.11694	7.8
197.13312	8.8
199.14790	6.9
201.12775	4.6
201.16400	30.0
211.14836	7.2
213.12836	7.1
213.16406	6.7
215.17949	27.1
225.16357	18.8
229.15831	19.1
231.05031	13.5
231.13818	17.6
243.17403	51.7
247.16931	7.2
249.14890	8.4
249.96233	4.1
261.18518	26.3
279.19470	6.8
281.18951	5.3
287.07455	4.3
287.20068	5.7
299.20163	8.9
303.88831	4.1
317.21262	8.9
326.14169	6.8
353.23154	15.2
502.19736	10.7
508.27380	5.0
530.19006	5.0
569.23596	4.5
601.28357	71.8
602.28455	5.8
602.38843	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
57.03462	0.2
67.05504	0.3
69.07066	0.4
70.06570	0.4
70.38043	0.5
74.02433	0.7
79.05482	0.5
81.03386	0.4
81.07072	0.3
84.08127	1.2
85.02887	0.5
91.05465	2.5
93.07045	1.8
94.69344	0.2
95.04967	0.5
95.08603	0.2
97.06541	0.4
98.22765	0.3
99.04453	0.3
99.20780	0.3
100.11254	2.7
103.05466	2.6
105.07032	3.3
107.08629	0.3
118.06535	1.7
119.04969	0.4
119.07318	11.7
119.08596	0.5
120.08101	33.1
121.06484	0.4
121.08468	0.6
125.49221	0.2
130.06551	0.5
130.08603	0.4
131.04851	0.5
131.08562	0.3
132.08098	0.4
134.09645	100.0
135.09981	1.6
136.07549	1.2
145.10107	0.4
146.05991	0.4
147.04375	0.5
148.07596	0.5
155.11783	0.5
157.10109	0.3
161.09610	0.4
165.05528	0.6
177.08963	0.3
179.11807	1.2
182.08159	0.5
185.09525	0.3
189.09018	1.6
202.12267	3.4
202.15941	3.0
208.48212	0.3
213.09076	0.2
214.12091	0.3
219.10249	0.3
230.11760	0.3
231.10133	2.0
248.12799	2.2
259.14362	0.4
265.15598	0.5
273.15887	0.6
275.13806	0.9
287.13727	0.3
321.14471	0.5
329.14572	0.4
335.22211	0.4
349.18793	0.3
356.15695	0.4
395.19693	2.0
423.19095	1.2
440.21619	1.0
468.21280	26.4
469.21451	1.0
502.19174	0.5
548.17365	0.3
570.25977	9.9
571.25739	0.7
573.30933	2.1
583.28455	0.3
601.29352	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01869	9.9
55.05511	28.2
57.03439	14.9
57.07066	3.8
58.07967	2.1
59.04999	2.5
59.10743	2.2
65.03926	4.5
67.05159	3.6
67.05506	60.3
69.03437	5.7
69.07066	20.1
71.04985	5.1
79.05492	50.4
80.05824	2.2
81.03400	4.4
81.07054	60.3
82.07378	4.3
83.04984	9.6
83.08627	18.7
85.06538	9.7
86.09698	2.3
89.26136	2.3
91.05479	46.4
92.05782	2.4
93.07046	47.0
94.05284	2.0
94.07342	4.0
95.04964	61.4
95.08610	31.7
97.06551	11.8
97.10153	8.2
100.70547	2.2
103.05494	2.8
105.04485	2.3
105.07030	52.4
106.07353	2.8
107.04967	13.5
107.08598	39.0
108.08976	2.7
109.06516	49.7
109.10159	18.3
109.40483	2.1
111.08084	5.5
113.05997	28.9
115.05437	2.6
117.07008	21.8
119.08584	43.2
120.08905	3.9
121.06506	9.0
121.10137	23.8
123.04397	3.6
123.08057	9.5
123.11716	5.5
124.08425	2.4
125.09666	11.9
128.06192	3.9
129.07019	11.1
130.07756	2.7
131.08560	29.4
133.06531	4.8
133.10139	25.1
135.08057	40.3
135.11694	7.6
136.08426	2.7
137.09602	6.7
141.06975	5.3
142.07747	4.8
143.08556	13.4
144.08929	3.3
145.06427	3.6
145.10103	31.0
146.10448	4.6
147.08014	11.3
147.11694	13.5
149.09601	16.6
149.13237	4.4
155.08560	6.8
156.09203	4.2
157.10136	16.3
158.10536	3.4
159.08073	7.0
159.11670	14.4
161.09544	12.6
161.13293	5.0
163.11169	18.9
165.09142	11.0
165.12674	2.3
167.10683	4.0
169.10059	5.9
170.10672	2.8
171.11711	12.2
173.09550	3.0
173.13275	8.2
175.11082	3.9
177.09042	2.2
177.12737	5.3
181.10023	4.0
181.12144	3.6
182.10962	2.7
183.11700	8.8
184.12331	2.9
185.13194	5.1
187.14932	2.9
189.11195	5.0
191.10632	3.6
193.10356	3.3
193.12238	22.5
195.11623	4.6
197.13196	5.6
199.14882	5.6
217.15860	10.0
221.13394	2.9
221.15393	6.8
223.13159	13.2
224.27635	2.4
233.15315	4.1
234.15927	2.7
239.17873	3.4
255.17352	3.7
257.19040	5.1
259.20618	6.8
266.25574	2.8
273.18527	26.4
274.19125	3.2
275.20081	41.0
289.17963	6.9
291.19534	100.0
292.19931	7.3
293.21027	20.3
304.19614	2.4
352.23730	2.5
353.24094	3.6
565.38940	3.5
583.40179	2.9
601.38538	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12469	0.6
52.41325	0.5
53.03938	1.8
54.61697	0.5
55.01874	7.4
55.05513	24.3
57.03421	2.1
57.07064	2.4
59.04995	0.7
61.67242	0.6
63.07370	0.6
65.03935	1.8
66.38795	0.5
66.65333	0.5
67.05508	25.6
69.03418	3.5
69.07066	14.6
71.05005	2.9
71.08643	0.6
72.14033	0.5
73.06561	0.7
73.71103	0.6
75.90108	0.5
77.03928	1.7
79.05492	32.7
79.26683	0.6
80.05825	0.8
81.03436	3.9
81.07057	52.9
82.07397	0.8
83.04984	9.2
83.08621	14.8
85.02898	2.2
85.06531	1.8
87.04442	0.7
89.06014	1.0
91.05482	27.2
91.06059	1.3
93.07044	32.4
94.07393	1.1
95.04972	17.0
95.08605	17.3
96.08947	1.2
97.02913	0.7
97.06528	5.4
97.10172	17.6
97.97284	0.6
98.23435	1.5
99.04430	0.6
99.08104	1.9
101.09674	0.7
103.05453	1.2
105.04517	1.5
105.07034	28.1
106.07327	1.4
107.04961	9.9
107.08591	23.9
108.08904	1.3
109.06522	13.2
109.10164	11.3
111.04456	6.8
111.08094	5.7
115.05457	1.8
116.06246	1.1
117.07017	13.6
119.04922	0.9
119.08579	28.5
120.08923	1.9
121.06503	12.3
121.10150	16.7
123.04445	0.8
123.08067	15.9
123.11673	2.2
124.08250	0.8
125.09633	13.5
128.06235	2.2
129.07007	7.3
130.07776	1.1
131.08569	20.6
132.05704	0.8
133.06480	4.2
133.10129	17.3
134.10445	1.1
135.08061	9.4
135.11674	7.5
137.09624	4.1
139.11171	2.6
141.06984	2.0
142.07780	2.6
143.08578	9.1
144.09279	1.1
145.06483	2.2
145.10126	26.4
146.10474	1.3
147.08046	13.5
147.11671	9.4
149.09619	12.2
149.13255	1.9
151.07558	1.1
151.11157	3.1
153.07065	0.6
153.09113	5.4
153.12776	2.8
154.07713	0.8
155.08501	3.2
155.10632	0.9
156.09351	2.1
157.06471	1.0
157.10135	11.0
158.10631	1.2
159.08087	4.1
159.11693	12.0
161.09618	8.4
161.13245	3.2
163.11191	13.0
163.14861	1.1
164.11565	0.9
165.06938	0.8
165.09111	6.9
167.08554	1.4
167.10718	3.6
168.09279	1.1
169.10124	4.1
170.10812	1.1
171.10219	1.4
171.11678	7.3
172.11989	0.6
173.09613	4.8
173.13263	5.4
175.11185	5.1
175.14821	1.6
177.12758	1.9
179.08521	0.8
179.10715	0.8
181.10110	2.3
181.12254	4.1
182.10883	1.2
183.11710	3.7
184.12140	0.7
185.09619	1.8
185.13210	4.5
187.11205	2.9
187.14859	1.4
189.11205	10.9
189.12769	2.8
191.10612	5.8
191.14349	2.2
193.10201	1.5
193.12195	1.6
194.10934	0.9
195.11658	3.5
196.12376	1.3
197.13277	3.2
197.14938	0.6
198.13818	0.9
199.11177	1.7
199.14850	2.0
201.12761	2.5
203.14328	2.1
205.12291	1.0
207.11708	1.8
207.13675	1.4
208.12370	1.0
209.11539	1.2
209.13240	2.6
209.15175	1.0
210.13731	0.9
211.14842	2.7
213.12782	1.4
213.16422	2.2
215.14302	1.3
219.11781	0.9
219.13771	1.5
221.13393	1.2
221.15375	3.6
222.15755	0.8
223.13150	6.0
225.16365	0.8
227.12691	4.9
227.17917	2.3
233.13202	1.3
233.15384	2.8
234.15869	0.7
237.16299	1.9
239.17950	1.5
245.18988	3.1
246.13908	0.7
247.14601	0.8
247.16959	0.8
247.20490	1.6
249.14873	2.5
255.17436	5.7
256.17752	1.0
257.19019	7.5
259.20538	0.8
263.20160	1.1
266.25488	1.2
273.18491	28.7
274.18854	1.9
275.20071	42.0
276.20435	1.2
289.17993	0.7
291.19543	100.0
292.19864	2.7
293.21127	16.5
301.21249	0.7
309.20627	5.8
340.29102	0.7
384.25540	0.7
409.27228	0.8
427.28473	1.7
445.29358	1.6
475.92993	0.7
483.18976	0.6
540.26984	0.7
544.54120	0.6
547.37463	2.5
565.38904	3.9
583.40131	4.8
601.42078	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82189	2.6
53.03951	5.8
55.05515	29.3
57.07072	13.1
58.45221	3.0
59.05016	5.6
65.03940	7.0
67.05505	41.1
69.03426	16.4
69.07073	28.0
69.23294	6.9
69.23705	12.0
71.04991	4.3
71.08649	2.8
79.05501	40.1
81.07059	61.0
83.05001	23.7
83.08634	22.0
85.06556	9.4
87.04468	4.6
89.06045	9.0
91.04942	4.2
91.05486	67.2
92.05816	6.4
93.07051	80.9
94.07378	4.3
95.04973	36.3
95.08606	48.2
96.08994	3.5
97.06534	15.1
97.10170	5.5
99.08090	3.6
100.93813	3.2
103.05484	6.0
105.04527	5.5
105.07034	98.5
106.07371	8.9
107.04969	4.2
107.08598	76.8
108.08915	4.4
109.06524	16.1
109.10165	36.1
110.10560	2.9
111.08073	7.7
113.09666	6.6
115.05463	6.1
117.07029	26.6
119.08584	100.0
119.09420	5.3
120.08943	9.8
121.06516	14.9
121.10153	72.4
122.10529	5.3
123.08092	12.9
123.11736	10.7
124.08471	2.7
125.06058	5.1
125.09638	12.6
128.06239	12.0
129.07056	17.3
129.07845	2.6
130.07785	8.7
131.08575	42.1
133.06577	5.7
133.07538	3.0
133.08609	4.9
133.10133	54.5
134.10519	4.7
135.08052	17.0
135.11710	23.0
137.09637	10.1
139.11174	7.8
141.06993	8.6
142.07773	21.4
143.08585	49.4
143.43350	2.8
144.09267	9.3
145.06488	6.3
145.10129	72.6
146.07285	3.8
146.10483	8.1
147.08008	14.1
147.11700	29.8
148.11986	4.3
149.09616	23.0
149.13229	5.3
151.07565	9.7
151.11189	3.9
154.07732	3.9
155.08551	16.0
155.10718	8.9
156.09349	19.1
157.10149	57.5
158.10738	9.3
159.08063	15.4
159.11682	36.2
160.08508	3.8
160.12045	4.4
161.09618	14.6
161.13309	10.5
163.11182	8.7
165.06985	7.9
165.09134	7.7
167.08582	12.5
167.10674	49.6
168.09338	8.2
168.10960	4.1
169.10138	28.2
170.10954	13.3
171.11682	40.6
172.12175	6.3
173.09604	7.0
173.13290	20.8
174.13661	5.1
175.11215	12.1
175.14809	14.0
176.15280	3.3
177.12619	4.8
179.08597	11.9
180.09273	7.9
181.10114	19.9
181.12262	5.5
182.10860	11.2
183.11707	32.0
184.12213	7.5
184.98840	3.2
185.09666	4.2
185.13310	22.3
186.13681	4.4
187.11238	7.0
187.14876	9.6
189.12778	6.6
191.14316	7.1
193.10201	17.6
193.11850	3.7
194.10950	11.1
195.11731	24.1
196.12366	15.0
197.13271	28.4
198.13741	7.1
199.11177	5.9
199.14845	11.7
200.15338	3.3
201.12793	7.6
201.16388	3.6
203.14357	11.3
205.10246	3.5
205.15987	4.3
206.10869	4.7
207.11743	18.8
207.13591	3.8
208.12366	7.1
209.13278	28.7
209.15221	5.7
210.13680	5.9
211.11313	3.5
211.14857	22.5
212.15208	5.1
213.12750	5.5
213.16335	6.2
215.14365	6.1
217.10173	3.5
217.15898	4.8
218.16399	3.6
219.11739	6.9
220.12332	4.3
221.13254	15.1
221.15398	20.5
222.13942	7.5
223.11369	3.3
223.14807	12.7
224.15280	6.6
225.12645	2.9
225.16403	9.6
227.14368	8.5
231.11580	4.0
233.13184	7.4
233.15378	25.6
234.13744	5.1
234.15994	6.7
235.14874	9.4
236.15309	2.8
237.16408	9.8
239.14259	5.7
239.17960	5.1
245.13261	4.9
246.13745	3.5
247.14883	7.0
248.15410	3.1
249.16377	6.4
250.16843	2.7
251.17845	5.0
253.15862	2.9
255.17477	9.1
256.17825	7.9
260.15463	3.0
261.16281	6.3
263.17981	5.7
264.18573	2.9
265.19531	5.6
269.19122	9.9
270.19788	3.6
272.15219	3.5
273.18509	6.8
275.17639	4.4
275.20251	4.1
281.18982	5.6
283.20691	3.6
285.18658	3.2
287.20166	5.2
291.19592	4.7
299.20093	4.8
301.21649	4.3
317.22556	3.1
331.24210	3.7
335.23776	3.2
349.25235	4.2
373.25290	3.4
384.26129	3.6
468.21722	4.0
473.34390	3.0
541.24530	20.5
565.40344	3.4
583.41205	10.0
601.43182	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43027	2.2
55.05511	4.9
57.07069	5.9
67.05504	15.1
69.03420	5.3
69.07078	3.5
69.30878	2.7
69.31172	12.9
69.93779	2.2
71.04985	3.0
73.85316	2.1
74.60807	1.9
79.05486	12.9
81.07045	18.3
83.04989	3.7
83.08611	4.6
85.06567	3.4
91.05473	21.1
93.07040	21.2
95.04962	9.4
95.08582	13.7
97.06539	3.9
105.07037	32.9
107.08609	16.2
109.06539	6.5
109.10157	9.6
117.07028	8.2
119.08574	28.2
121.10139	15.3
123.08057	9.6
123.11778	3.7
125.06061	3.3
128.06326	4.7
129.07011	6.6
131.08553	9.3
133.10138	17.2
135.08063	7.0
135.11687	8.3
137.09584	6.2
142.07703	5.5
143.08540	10.5
144.09273	3.2
145.10124	20.3
147.08046	9.1
147.11702	5.5
149.09669	3.8
151.07538	7.8
155.08585	5.9
156.09346	3.5
157.10165	12.8
158.10898	3.0
159.08025	2.9
159.11702	9.3
159.12981	2.3
161.09541	5.6
163.11185	5.0
165.09111	27.3
169.10168	4.6
170.10918	3.4
171.11681	6.8
173.13242	4.9
175.11118	2.9
175.14833	6.3
181.10168	3.0
181.12251	8.1
183.11719	4.9
185.13353	4.6
187.11121	3.0
193.10202	2.8
195.11748	4.3
197.13260	5.7
199.14862	2.4
203.14359	11.2
207.11823	4.0
207.13811	2.9
209.13252	6.2
221.13307	4.4
221.15332	100.0
222.15730	8.2
235.16734	2.9
275.19971	6.4
286.19305	3.4
287.20117	5.0
291.19604	4.0
300.20581	2.8
301.21442	3.8
325.21649	3.9
341.30176	3.6
352.23932	6.8
353.24353	7.8
365.24573	3.7
366.25192	3.4
367.26672	3.3
391.35538	3.0
491.35196	9.7
509.35989	4.1
520.35156	3.4
521.35681	21.2
583.40875	10.6
601.42371	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20512	1.8
55.03899	1.8
55.05511	4.3
55.08697	1.9
57.07068	5.3
59.04995	2.4
67.05484	8.1
69.03413	3.4
69.07059	6.4
69.22437	13.1
79.05492	11.7
81.07052	18.5
83.08607	3.4
86.09657	2.5
91.05470	20.3
93.07026	26.2
95.04937	5.4
95.08601	18.0
105.07012	26.5
107.08587	18.8
109.06490	5.6
109.10158	6.0
109.22948	2.5
117.07030	6.8
119.08577	33.4
120.08859	3.9
121.06507	7.0
121.10120	19.2
123.08064	9.8
125.05995	4.3
128.06186	2.9
129.06996	3.2
131.08574	10.2
133.10107	15.9
133.64687	2.3
135.08084	8.9
135.11691	7.1
137.09613	13.2
142.07803	3.5
143.08568	12.6
145.10095	21.9
146.11801	2.2
147.08023	21.5
147.11671	4.2
149.09647	5.9
149.13280	2.7
151.07562	9.8
155.08569	2.9
157.10139	14.3
158.10843	3.5
159.11670	17.1
161.09654	5.9
161.13234	2.4
163.11198	10.3
165.09105	38.0
169.10107	7.1
171.11621	10.2
173.09615	2.3
173.13243	7.1
175.11189	3.5
175.14783	5.0
175.21657	2.2
181.12241	8.9
183.11702	8.6
185.13286	9.1
187.14780	4.5
189.12694	3.7
191.14230	2.8
193.10101	3.1
193.12267	2.1
194.10869	2.3
195.11687	5.6
197.13203	4.0
199.14786	3.0
203.14311	17.5
204.14607	2.8
207.11714	3.0
207.13751	3.9
209.13307	5.5
209.15254	4.3
211.14854	4.3
213.16370	3.5
219.17361	4.3
221.13356	4.4
221.15331	100.0
222.15695	6.0
227.59198	2.6
234.16115	2.5
237.16344	3.1
239.53391	2.2
247.16983	4.4
256.07190	2.2
260.82596	2.2
275.20026	3.4
286.19196	2.9
287.19986	5.8
299.20050	4.7
301.21680	2.8
312.20969	2.7
313.21457	3.9
325.21567	3.5
326.22073	2.9
336.38736	2.1
352.23886	3.0
353.24106	4.4
367.26416	10.2
367.30719	2.3
375.26657	4.0
393.27954	3.3
428.28415	2.7
440.29065	3.1
441.29840	5.9
491.34937	9.5
509.35883	3.2
521.35748	11.6
583.42090	11.5
601.42450	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25494	1.9
53.03946	5.4
54.56199	2.0
55.01859	4.3
55.05506	25.5
57.07073	7.8
59.04991	4.3
63.12469	2.1
65.03931	5.6
67.05502	34.9
68.05839	3.3
69.03431	13.7
69.07059	28.2
69.91756	3.4
71.04999	4.1
77.03920	2.4
77.56116	2.2
79.05482	41.7
79.05888	3.4
81.07053	51.9
81.07505	4.0
82.07385	3.1
83.04977	22.9
83.08616	16.4
85.02938	2.1
85.06546	8.2
87.04466	3.3
87.45753	2.2
89.06023	5.0
91.05476	60.1
92.05798	3.0
93.07039	80.9
94.07390	5.6
95.04967	28.8
95.08596	38.3
96.05290	2.8
96.08978	2.4
97.06527	14.3
97.10168	4.6
99.08102	2.7
103.05470	4.9
105.04555	3.2
105.07025	100.0
106.07362	6.1
107.04947	6.3
107.08582	74.3
108.08914	3.9
109.06523	20.6
109.10149	32.8
111.04473	2.5
111.08089	7.9
113.05951	2.3
113.09669	4.0
115.05465	7.4
116.06215	4.2
117.07005	25.0
119.06100	2.5
119.08569	95.4
120.08906	4.7
121.06515	15.0
121.10135	74.0
121.10986	4.2
122.10468	3.4
123.08067	15.4
123.11720	7.9
125.09620	14.4
128.06207	13.3
129.07016	21.6
130.07758	11.1
131.08562	49.3
132.08824	2.5
133.06479	5.2
133.07727	2.0
133.10118	58.2
134.10460	5.2
135.08067	17.0
135.11670	16.1
137.09619	10.1
139.11198	7.2
141.06993	11.4
142.07761	26.4
143.08559	43.4
144.09195	7.7
145.06493	5.5
145.10123	60.6
145.11227	4.4
146.07300	4.0
146.10474	5.0
147.08049	15.5
147.11682	18.1
149.09613	21.4
149.13261	2.9
151.07553	7.8
151.11174	4.3
153.07024	7.2
154.07806	4.6
155.08557	14.3
155.10684	6.7
156.09328	20.9
157.10124	59.6
158.07262	2.8
158.10669	9.3
159.08075	21.7
159.11687	36.7
160.08670	3.0
160.12071	4.6
161.09621	13.3
161.13278	8.8
163.11182	9.3
165.07027	8.6
165.09201	7.2
165.12782	3.0
166.07726	5.2
167.08521	10.8
167.10663	48.3
168.09274	4.6
169.10101	25.8
169.12363	2.5
170.10626	11.6
171.08086	2.9
171.11652	33.0
172.12126	4.5
173.09633	7.5
173.13287	22.6
174.13658	3.4
175.11169	11.8
175.14775	12.6
179.08556	11.2
180.09332	6.9
181.10071	16.7
181.12216	7.4
182.10849	8.9
183.11687	27.2
184.12167	7.4
185.09654	3.5
185.13235	18.9
186.13652	5.2
187.11153	6.0
187.14853	9.5
188.15175	2.7
189.12753	3.3
191.14145	4.6
192.09303	5.0
193.10132	15.3
194.10849	7.3
195.11665	20.2
196.12328	9.6
197.13255	18.9
198.13708	6.9
199.11201	6.7
199.14781	13.3
200.15210	3.6
201.12788	6.7
201.16423	5.1
203.14381	4.6
205.10193	3.3
205.15796	3.5
206.10817	5.2
207.11649	14.9
207.13600	3.5
208.12415	10.0
209.09514	2.2
209.13274	24.3
209.15417	6.4
210.13835	7.2
211.11310	3.4
211.14796	15.8
212.11830	2.4
212.15239	4.5
213.12715	7.2
213.16365	4.9
214.12981	3.0
215.14325	6.6
217.10046	3.8
217.15837	4.0
219.11688	5.4
219.13663	2.6
220.12369	6.2
221.13286	14.1
221.15392	20.0
222.13783	8.7
222.15773	3.3
223.14807	15.3
224.15146	3.9
225.12729	4.1
225.16338	6.9
227.14374	6.1
228.14478	2.6
229.10219	2.5
230.10658	3.6
231.11687	3.4
233.13217	7.1
233.15378	32.5
234.15833	6.2
235.14828	7.4
237.16414	10.9
238.16879	2.4
239.14262	3.8
239.17943	4.4
243.17534	2.4
245.13164	4.1
245.19049	2.3
246.14146	3.4
247.14745	6.4
247.16991	4.3
248.15268	3.2
249.16335	7.5
251.17981	6.8
253.19351	2.6
255.17424	9.9
256.17691	5.2
257.18973	4.7
259.14807	3.8
261.16370	6.8
263.17914	3.4
265.19553	6.3
269.18909	11.9
273.15964	2.7
273.18488	6.9
275.17645	4.1
275.20224	5.1
279.17499	2.9
283.20499	4.1
285.18661	2.5
287.20187	3.5
289.19391	3.3
291.19653	7.5
295.20309	4.2
299.20215	6.2
300.20731	2.9
301.21683	4.5
321.22009	3.1
333.22012	3.5
349.25467	2.9
361.25095	2.6
365.24689	3.0
384.26175	3.1
390.69681	2.5
541.24146	3.1
547.37817	2.6
565.39752	6.1
583.40839	9.4
601.43237	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38980	0.6
53.03939	2.6
55.01876	4.0
55.05500	1.0
57.03425	2.2
60.08147	1.9
61.02921	2.8
65.65955	0.6
67.05495	1.7
68.99790	1.1
69.03429	14.7
69.07059	1.6
70.06573	1.0
71.04983	1.9
71.46217	0.6
73.02916	3.0
78.82739	0.6
79.05497	3.1
81.03411	15.2
81.07057	4.6
83.04964	0.9
83.08611	0.8
83.86265	0.5
84.08149	0.7
85.02903	31.9
86.09679	0.7
87.00832	10.8
91.03950	1.1
91.05473	3.5
93.07039	2.2
95.04966	1.7
95.08607	2.5
97.02885	11.2
97.06521	0.8
98.05567	0.6
99.04462	7.3
103.05463	1.6
103.42742	0.6
105.01867	9.7
105.07025	4.9
106.06532	0.8
107.08598	3.0
109.02876	16.6
109.10165	1.5
111.08089	0.7
115.03898	0.6
117.01840	1.8
117.07005	1.2
119.08592	2.4
120.08112	5.1
121.06520	1.0
121.10149	1.6
123.08107	0.6
123.11711	1.0
127.03911	27.7
129.01830	1.3
129.06995	1.0
131.04939	2.9
131.08560	1.9
133.06558	0.6
133.10126	2.6
134.09630	1.2
134.66606	0.6
135.11699	1.0
142.12320	0.7
143.08516	1.8
145.04944	8.8
145.10150	2.3
147.02873	1.3
147.08096	0.7
147.11694	2.3
148.07585	0.8
149.09634	0.7
151.07487	0.8
157.10103	1.7
159.02873	9.5
159.11696	1.4
161.09576	1.2
161.13229	1.0
163.03879	1.0
171.11659	1.2
175.11266	0.9
177.06886	0.7
180.82486	0.6
183.11653	1.0
185.13300	0.6
187.11255	0.6
189.04085	0.8
189.06972	9.1
191.08583	1.2
199.14809	1.0
205.06526	2.4
207.08263	0.6
207.14964	1.7
213.03886	1.0
217.06483	11.4
218.07109	1.1
219.08069	2.0
223.07457	1.5
227.14291	1.0
231.04955	5.9
233.05930	1.6
235.07536	11.6
237.09090	2.2
245.05939	2.5
246.06674	1.1
247.07565	14.8
249.05615	1.5
250.05997	0.8
251.06989	0.7
255.21104	1.3
261.05502	1.8
262.06015	0.7
263.07037	13.9
265.08533	0.7
265.19531	1.3
273.05447	2.3
274.06268	0.9
275.07001	21.2
279.06497	0.9
283.20618	4.9
291.06476	10.5
292.07196	1.8
293.08075	14.9
294.08423	0.6
301.05365	0.7
301.21616	6.0
309.07584	0.8
319.05994	32.7
319.22607	2.0
320.06348	1.6
331.15451	0.7
335.05447	1.0
337.07043	100.0
338.07480	4.4
355.15332	1.0
356.15665	1.2
357.16138	1.1
361.07309	1.1
584.27228	0.8
585.12036	1.8
601.25787	1.4
601.33643	3.8
602.25916	7.3
602.34601	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03774	3.0
54.95778	3.0
58.06597	7.4
59.07373	3.3
60.08163	13.7
65.03932	17.8
67.05495	7.6
77.25915	2.8
79.05492	8.5
81.03430	5.6
81.07060	6.8
82.04192	4.1
85.02906	7.5
91.05483	20.4
93.03401	13.2
93.07044	9.3
95.01351	5.4
95.04987	5.1
95.08630	5.2
97.06541	4.0
98.22730	8.4
103.05479	16.7
105.07021	18.6
106.06583	3.4
107.04961	7.5
107.08586	5.7
109.06560	3.0
109.10128	3.5
110.03673	16.3
111.04456	15.8
117.07043	3.4
119.04908	5.4
119.08593	5.6
120.08118	50.1
121.02867	13.7
121.06506	6.9
121.08453	10.5
121.10150	3.5
125.06029	20.0
127.03948	4.8
130.06526	5.6
131.04935	11.8
131.08577	4.3
133.06456	3.9
133.10046	3.5
134.09650	10.7
135.08061	3.7
135.09966	4.2
137.05988	3.4
145.06485	4.0
145.10210	4.5
147.04373	5.4
148.07564	8.3
148.11160	4.0
151.07518	22.9
152.06258	3.4
152.07874	11.4
153.05464	100.0
157.10063	4.1
159.08060	4.9
159.11708	5.6
161.06003	3.1
163.03885	4.4
165.07108	3.6
167.06972	7.3
169.81374	3.2
177.05627	3.4
179.07072	6.0
181.08600	13.1
182.08957	7.4
185.13338	3.1
187.07512	4.5
191.10574	3.8
207.14897	5.2
212.16512	3.1
216.07726	6.0
219.08116	4.0
229.08469	3.6
234.86122	2.9
235.07520	3.2
239.07251	4.5
247.09694	12.2
253.08656	13.4
264.07806	4.3
269.11603	7.5
272.18533	5.2
279.10159	4.7
295.09592	3.3
297.11172	6.1
301.21320	3.5
307.09619	15.4
315.52191	3.8
319.22668	6.3
325.10751	52.6
337.10767	3.7
339.12292	25.5
340.12860	5.3
357.13211	57.8
369.13461	6.2
370.14099	4.1
385.20056	5.8
387.20648	8.4
391.52853	3.5
405.21835	5.0
460.93372	3.0
469.21347	4.5
601.33484	9.5
602.34698	61.4
603.27899	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62659	1.0
53.03941	2.4
55.01873	3.2
55.05509	7.3
55.38090	1.0
56.82235	1.0
57.03436	19.2
58.06599	4.1
60.08165	7.8
61.02922	12.1
61.03161	1.1
67.05510	2.4
69.03426	44.1
69.07068	50.8
69.31225	4.7
71.01382	2.3
71.05003	3.3
72.37354	1.1
73.02915	35.5
79.05518	3.0
81.03415	11.5
81.07072	2.7
82.13433	1.0
83.01373	1.3
83.04993	1.5
85.02902	100.0
86.18214	1.2
87.04485	3.2
91.03967	4.6
91.05465	5.1
93.07034	5.0
93.37294	1.1
95.04979	2.6
95.08627	2.6
97.02888	64.7
97.06503	1.6
99.04498	4.1
100.11276	1.5
101.02406	1.1
103.03942	1.2
103.05470	7.4
104.05807	2.6
105.07030	9.4
106.06600	1.8
106.07446	1.0
107.04980	1.4
107.08610	2.1
109.02872	10.0
109.06579	1.4
109.10186	1.7
111.11720	27.4
115.03929	36.1
115.04696	1.9
117.07053	2.4
119.04945	1.3
119.07339	1.1
119.08566	1.7
120.08105	29.1
121.08457	8.0
121.10114	1.5
123.08128	1.0
124.07625	1.3
127.03917	31.3
130.06540	2.8
131.04965	7.1
131.06909	1.1
131.08644	1.6
132.05399	1.8
133.04944	10.8
134.09665	5.5
135.09985	1.2
145.04947	50.6
145.06038	2.6
147.11693	1.5
148.07610	4.6
148.11258	3.1
149.07970	2.5
149.11549	1.2
163.06018	26.9
167.07152	1.5
177.05516	1.3
189.09192	2.0
193.05014	1.6
202.12355	3.4
203.12593	1.3
207.14992	4.4
208.15308	2.1
223.05966	6.4
237.14941	1.5
241.07066	11.0
243.16127	1.4
255.15915	1.3
259.08105	10.7
272.18710	3.3
273.17093	1.4
277.09219	1.2
288.17371	1.2
295.10248	20.9
310.32263	1.2
325.11243	6.2
350.92590	1.2
374.21823	2.0
378.17395	1.1
469.21939	1.4
515.28040	1.2
543.26929	1.9
585.21661	1.6
602.34406	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
53.96985	0.2
55.01867	1.9
55.05505	3.3
57.03435	14.6
57.07077	0.4
57.89738	0.2
58.06592	1.7
59.05001	0.6
60.04517	0.2
61.02922	9.2
61.03247	0.5
67.05503	1.0
69.03425	25.1
69.07064	18.7
69.56168	0.7
69.56519	0.4
70.06622	0.2
71.01347	1.9
71.04990	1.8
71.08611	0.2
73.02912	29.3
79.05494	0.8
81.02953	0.4
81.03415	5.7
81.07053	0.9
83.01336	0.6
83.04980	0.7
85.02898	100.0
86.03233	0.7
87.04459	3.2
91.03949	4.9
91.05468	1.1
93.07044	0.7
95.04965	0.7
95.08598	0.3
97.02885	43.9
97.06541	0.4
98.03220	0.6
99.04447	3.7
99.08058	0.2
100.11253	11.7
101.02383	0.7
101.11586	2.5
103.03933	1.4
103.84641	0.2
105.07036	0.6
107.08609	0.6
107.65159	0.3
109.02871	9.2
109.06532	0.3
109.10138	0.4
111.04449	0.4
111.11711	8.5
111.12489	0.4
115.03922	23.9
117.05495	0.4
118.06512	0.3
119.04905	0.2
119.08592	0.6
120.08098	2.6
121.08435	0.8
121.10125	0.4
123.04430	0.4
123.11686	0.5
125.09595	0.2
127.03906	26.7
128.04245	0.3
133.04958	6.2
133.05919	0.5
133.10129	0.3
135.11659	0.3
136.07605	0.3
137.05911	0.3
139.03926	0.3
143.08615	0.4
145.04947	47.7
146.06129	0.3
147.06372	0.3
147.11702	0.4
151.03851	0.2
153.05432	0.2
155.11816	0.4
157.04979	0.3
159.11647	0.3
161.13298	0.4
163.06004	26.1
165.12753	0.4
167.07024	0.4
169.04913	0.4
173.13214	0.3
179.14302	0.3
181.04872	0.3
187.05823	0.3
193.04938	0.7
195.13821	0.2
199.05992	0.4
204.32245	0.2
207.13782	0.4
209.23315	0.2
211.05984	0.4
217.06964	0.5
223.05983	2.6
225.14803	0.5
241.07063	4.2
243.15877	1.0
247.08113	0.4
255.15840	0.6
259.08087	4.9
271.08105	0.7
277.09155	0.3
289.09183	1.8
293.13062	0.3
295.10217	9.8
325.11276	10.3
326.11636	0.2
346.38345	0.3
355.12714	0.2
503.20087	2.5
552.10345	0.2
571.25934	0.4
602.28821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01863	2.6
55.05509	11.4
57.03432	1.6
63.19642	1.3
65.18299	1.4
67.05500	20.3
69.03412	1.8
69.07072	9.9
69.44530	4.3
70.03715	1.3
70.63641	1.3
71.04993	3.1
79.05488	17.2
81.03457	1.8
81.06573	2.2
81.07053	38.7
83.04972	5.8
83.08620	7.6
86.09024	1.2
86.09696	2.3
91.05472	14.6
93.07046	19.5
95.04970	8.8
95.08608	15.3
97.06524	3.4
97.10177	2.2
98.22822	4.1
105.07027	22.2
107.04943	6.0
107.08588	14.3
109.06523	15.8
109.10162	5.4
111.08060	3.2
117.07019	6.0
119.08587	18.2
121.06506	7.1
121.10154	12.1
123.08071	8.0
123.11737	3.7
125.09656	1.9
129.07016	1.8
131.08574	13.3
133.06500	3.2
133.10133	14.2
135.08058	5.3
135.11671	5.5
137.09630	3.8
143.08589	3.4
145.06490	1.5
145.10143	12.0
146.11752	2.6
147.08047	3.0
147.11670	16.3
149.09633	5.6
149.13266	5.1
151.11174	3.6
157.10132	3.1
159.11679	7.8
161.09540	3.3
161.13284	3.8
163.11182	6.5
165.12735	2.8
166.74809	1.4
169.10120	2.8
171.11684	3.5
173.09564	1.9
173.13271	6.0
175.11292	2.7
175.14795	1.6
177.12808	1.8
183.11667	1.6
191.14374	2.3
197.13266	2.0
201.12877	1.7
207.13780	2.2
215.14447	1.6
215.17917	1.6
219.13762	3.9
222.42328	1.6
223.13315	2.7
229.19588	1.5
239.17957	3.9
247.20650	2.7
257.18988	11.4
260.94336	1.3
275.20056	100.0
276.20398	2.3
280.60864	1.4
293.17932	2.7
293.21085	41.2
294.21378	1.3
327.52954	1.4
351.68298	1.5
549.39429	3.7
567.40491	11.2
585.41809	6.2
621.06830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04939	4.0
55.05512	23.4
62.22035	4.2
67.05496	29.8
69.07060	16.8
79.05482	25.7
81.03410	8.8
81.07066	34.9
83.04976	6.1
83.08618	24.0
86.09681	6.1
91.05496	28.8
93.07056	22.9
95.04959	100.0
95.08604	24.3
97.06536	6.5
97.10171	10.2
105.07011	24.7
107.04929	11.6
107.08596	22.3
108.11639	4.4
109.06497	10.4
109.10133	10.4
111.08080	6.5
117.07015	5.2
119.08558	21.2
120.93430	5.0
121.06554	9.0
121.10151	10.9
123.08067	8.8
123.94288	5.0
125.09624	10.8
131.08569	10.8
133.10117	13.6
135.07965	5.7
135.11664	8.8
145.10127	24.3
147.11684	10.3
149.09613	24.5
157.10179	5.5
159.11694	7.3
163.11183	29.4
173.09508	5.4
187.40187	4.8
189.11299	8.8
205.12273	6.1
223.13281	55.6
257.18954	11.0
275.20065	75.0
293.21109	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	25.7
67.05486	37.8
69.07062	11.1
70.06480	19.8
79.05485	38.4
81.07043	41.9
83.08633	16.7
86.09692	19.9
90.62801	8.1
91.05452	41.3
93.07049	50.6
94.27392	8.5
95.04946	32.7
95.08605	31.9
97.10155	9.3
98.32277	8.9
105.07033	42.6
105.61507	8.1
107.04967	16.6
107.08580	39.8
109.06532	12.2
109.10160	14.5
117.06953	10.4
119.08571	24.5
121.10147	20.4
131.08559	25.5
133.10127	21.9
135.11617	14.1
145.10124	28.5
146.11772	12.1
147.08070	22.4
147.11780	16.8
149.09595	24.6
157.10153	9.7
159.11659	16.7
163.11160	23.4
165.09094	23.8
166.09302	9.6
169.10176	9.6
219.17451	71.6
221.15321	38.3
222.15823	23.7
223.13232	16.7
257.18771	14.2
275.20047	100.0
277.21625	18.6
293.21112	66.2
378.01453	9.4
531.41736	11.0
602.43115	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2991
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
53.03989	0.4
58.02418	0.4
64.59506	0.4
65.21117	0.4
69.03443	0.6
71.66988	0.4
85.02932	0.8
86.09719	0.5
91.05421	0.6
95.04964	0.6
95.08617	0.5
104.61943	0.4
105.07050	0.4
107.08548	0.4
109.02908	0.7
114.57895	0.6
117.07104	0.5
127.03941	0.7
132.10225	0.8
137.05942	0.5
160.18230	0.5
173.27759	0.4
201.03871	0.6
203.05330	1.1
203.37521	0.4
227.71342	0.4
232.37482	0.4
423.23514	12.1
423.29065	0.9
424.23993	0.7
425.25067	18.1
426.25473	0.8
441.24585	0.9
603.29858	100.0
604.30206	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.7
55.05512	44.5
65.03947	7.4
67.05148	6.5
67.05501	63.1
67.43903	4.6
69.07050	21.2
71.04983	11.5
71.08627	28.2
72.96331	4.3
73.21096	3.6
79.05490	68.0
81.03400	8.6
81.07056	96.3
81.07507	7.2
83.04984	13.5
83.08605	29.5
85.17205	3.6
91.05476	53.5
91.64993	4.9
93.07049	75.6
95.04958	36.3
95.08604	62.1
97.06531	11.2
97.10167	29.3
99.08100	18.1
105.07018	34.9
107.04948	22.0
107.08586	47.7
109.06541	9.0
109.10115	20.3
111.04467	5.7
111.08092	10.4
117.07011	19.1
119.08562	35.1
121.06476	9.4
121.09343	6.9
121.10143	37.7
123.08071	10.5
125.09628	18.6
131.08578	18.1
133.10149	20.5
135.08044	13.2
135.11681	29.1
137.09624	8.5
139.11136	4.4
143.08603	4.4
145.10124	19.9
147.08101	10.7
147.11726	9.4
149.09613	17.0
149.13274	8.2
151.11172	9.5
153.09161	4.7
157.10164	5.9
159.11690	13.5
161.09663	8.6
161.13242	13.2
163.11232	21.0
165.09120	9.1
171.11763	4.6
173.13359	5.8
175.14879	5.4
177.12746	5.7
179.14305	100.0
181.12279	7.9
189.11192	15.8
193.12296	9.6
219.17491	15.9
220.05624	3.6
223.13281	10.7
240.19968	4.2
249.42236	4.0
257.18933	6.0
273.18555	28.3
275.20065	25.7
277.21649	65.3
289.17957	6.5
291.19547	94.1
293.21078	29.2
295.22769	6.6
309.20523	4.6
366.15176	4.2
603.36926	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
58.57466	1.8
60.92339	2.2
61.76416	2.0
65.89205	1.8
67.05508	6.1
69.88898	6.2
78.59290	2.2
79.05503	5.2
81.07062	7.0
83.08630	2.7
86.09699	4.0
91.05483	4.4
91.88188	2.0
93.07048	4.2
95.05028	2.7
95.08604	3.3
97.10105	2.7
101.23646	1.8
105.07037	2.3
105.83894	2.1
107.08637	3.4
109.55950	2.1
119.08578	3.4
121.10207	2.6
129.50000	1.8
131.08562	3.2
189.56863	1.7
196.50244	1.7
204.96921	2.2
273.18509	3.5
275.20090	4.1
277.21649	2.5
291.19586	12.0
351.59280	1.9
518.25836	2.3
604.43323	100.0
605.27649	2.5
605.43469	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
57.07069	0.9
67.05502	1.3
69.14977	3.6
69.15408	1.7
79.05507	1.4
81.03410	0.8
81.07059	2.0
85.10148	1.0
86.09725	1.4
91.05503	1.8
93.07043	1.8
95.04959	1.7
95.08610	2.0
98.22708	2.1
98.23411	1.8
105.07027	1.1
105.72269	0.8
107.08613	1.5
113.09678	1.0
119.08527	1.2
131.08649	1.2
146.11777	1.2
165.12750	1.5
236.35658	0.9
275.20090	2.2
277.21774	3.6
293.21100	1.0
295.19818	0.8
295.22696	4.0
508.94031	0.8
526.68335	1.0
604.43311	100.0
605.43701	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05502	15.2
57.07071	12.8
67.05497	26.8
69.07057	20.7
69.15668	13.7
69.16069	5.1
70.76721	2.2
71.08614	2.4
79.05486	20.6
81.03407	6.3
81.07055	37.2
83.04970	9.0
83.08609	10.0
83.34174	2.4
85.06514	2.7
85.10177	45.9
91.05473	26.5
93.07037	26.8
95.04967	14.6
95.08607	29.2
97.06545	6.2
97.10146	4.5
98.22703	5.3
105.07017	18.9
107.04926	12.5
107.08588	19.1
109.06518	9.3
109.10139	9.6
111.08067	8.5
113.09633	42.9
115.65034	2.6
117.07002	5.1
117.18441	2.6
118.44957	2.6
119.08552	12.9
121.06517	4.5
121.10119	12.5
123.08065	7.9
123.11727	4.2
129.06993	5.9
131.08556	16.6
133.10130	12.5
135.08096	3.7
135.11644	6.2
143.08510	5.1
145.10114	7.9
146.11700	3.5
147.08040	3.4
147.11676	17.6
149.09619	13.1
149.13263	6.2
151.11171	6.2
157.10031	3.9
159.11723	6.3
161.13246	9.1
163.11150	14.2
163.14906	2.8
165.12732	51.2
171.11696	4.8
172.21642	2.5
173.09641	3.1
175.11179	6.8
181.12209	2.6
187.76688	2.6
207.13817	6.0
241.19287	3.6
257.18964	6.9
259.20584	5.3
275.20053	50.0
277.21603	79.1
278.21851	3.1
293.21075	20.8
295.22635	100.0
296.64514	2.6
315.19391	4.8
318.88849	2.7
508.89941	2.8
545.25244	4.8
569.41388	3.5
604.43213	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	24.4
67.05510	33.3
69.07067	12.7
79.05485	28.2
81.07063	34.1
83.08620	14.3
85.06534	5.5
86.09705	11.9
91.05485	32.9
93.07050	27.3
95.04970	14.2
95.08600	18.9
97.10175	6.1
105.07040	36.6
106.07418	4.4
106.81148	3.0
107.04951	6.3
107.08585	13.5
109.06494	4.9
109.10180	6.5
117.06996	15.5
118.35008	3.3
119.08576	31.6
121.10149	10.4
122.79330	3.1
125.09634	5.1
129.06993	3.4
131.08543	17.5
131.31258	3.4
133.10138	23.3
135.11699	6.9
143.08563	3.6
145.10092	17.1
146.11772	12.3
147.11678	9.5
149.09613	12.2
151.11089	3.3
157.10114	7.4
159.11696	9.5
161.13335	6.5
163.11188	17.4
169.10126	3.6
171.11758	4.7
185.13173	3.7
197.13264	6.2
223.13307	10.4
229.38461	3.0
239.17957	6.9
247.20828	3.1
257.19049	14.1
259.20596	13.5
275.20090	100.0
276.20499	11.3
277.21628	18.2
293.21155	35.4
294.21643	4.3
387.30365	3.4
444.68430	3.2
525.67267	3.4
551.41357	6.0
569.42047	3.9
591.67328	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55801	0.8
53.03935	2.0
55.01864	6.9
55.05260	1.9
55.05508	27.4
56.62864	0.8
57.03432	1.8
60.23429	0.8
65.03941	1.9
67.05503	19.9
69.03407	2.2
69.07058	7.5
71.04996	1.7
79.05484	25.0
81.03403	2.4
81.07052	40.8
83.04972	6.0
83.08611	12.3
85.02877	1.1
91.05476	16.1
93.07037	17.2
95.04955	14.2
95.08595	9.4
97.06510	1.8
97.10164	14.1
99.08064	1.0
103.05466	1.5
105.04504	1.3
105.07025	10.7
107.04932	4.3
107.08601	11.3
109.06508	3.7
109.10140	5.9
111.04438	7.7
111.08079	3.6
117.07002	10.8
119.08579	16.4
119.09407	1.2
121.06489	4.1
121.10139	7.5
123.08051	7.7
123.11749	1.5
125.09626	10.2
128.06293	1.0
129.06995	5.0
131.08546	8.7
133.06491	2.0
133.10144	5.2
135.08061	4.2
135.11661	5.1
137.09569	1.8
139.11171	1.2
143.08560	3.5
145.10123	9.8
147.08041	8.6
147.11656	2.7
149.09605	3.8
149.13266	1.3
153.09082	3.6
153.12677	1.5
155.08511	1.0
157.10132	3.3
159.07970	1.1
159.11684	3.7
161.09656	2.6
161.13293	1.2
163.11165	5.1
165.09084	4.5
171.10226	1.5
171.11667	1.7
173.09528	1.3
173.11626	0.9
173.13292	1.3
174.40594	1.0
175.11171	2.2
181.12216	3.1
183.11568	1.0
189.11226	14.6
191.10716	4.8
193.12186	1.1
199.11212	1.0
199.14844	1.2
209.11726	1.3
223.13171	5.8
227.12747	5.6
227.17906	2.0
245.18990	2.1
249.14902	2.7
255.17328	2.6
261.22043	3.6
263.20081	1.2
273.18469	20.7
275.20059	2.3
277.21646	1.0
291.19519	100.0
292.19785	4.6
293.20926	1.4
309.20630	4.9
533.39740	2.8
551.40460	3.0
569.41571	1.4
604.43311	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
62.23222	0.4
67.05502	0.9
69.03412	0.5
69.10812	1.8
69.11225	0.9
70.06577	0.4
71.05013	0.4
79.05483	0.8
81.03398	0.5
81.07044	0.8
83.08596	0.4
84.08165	0.6
85.02908	0.7
85.06522	0.9
86.09679	0.5
89.20695	0.4
91.05491	0.9
93.07037	0.9
95.04959	0.5
95.08577	0.7
100.11230	1.6
105.07017	1.4
107.04958	0.4
107.08559	1.0
109.02856	0.7
109.10165	0.6
119.08563	0.9
121.10181	0.7
123.04366	0.4
124.90260	0.4
127.03941	0.6
133.10114	0.8
134.08116	0.6
141.06934	0.6
145.10100	1.0
157.10152	0.5
159.11655	0.6
161.06026	0.4
163.03984	0.6
169.06599	0.4
173.09648	0.9
176.04471	0.6
177.05280	2.0
187.03705	0.9
189.05247	0.7
199.07527	1.8
201.05237	1.4
210.14893	1.0
215.10847	0.7
216.16504	0.5
217.08522	0.4
218.05457	0.9
233.02628	1.0
233.11847	0.5
241.37935	0.4
250.41719	0.5
259.09659	4.2
275.05209	0.4
289.05463	0.5
290.07721	0.5
321.07709	0.4
341.10071	1.5
361.10309	2.1
363.11859	0.6
365.09897	1.5
371.10989	4.3
377.09894	3.8
379.11475	1.2
380.12256	2.4
381.13135	1.2
392.12259	3.6
393.12732	1.1
395.10907	6.8
409.12570	0.6
410.13339	28.2
411.14096	8.4
423.14026	0.6
427.10226	1.4
429.15381	0.6
451.15976	0.9
452.17313	0.6
545.17688	1.3
561.26526	1.1
574.17352	0.4
575.18909	3.6
605.19592	100.0
606.19971	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63031	0.2
56.08390	0.2
64.00376	0.2
69.52499	0.6
98.23438	0.3
117.88846	0.2
136.07504	0.2
151.07561	0.5
185.05927	0.2
189.05229	0.3
273.09378	2.3
282.64206	0.2
337.70847	0.2
387.63068	0.2
423.16287	0.2
427.83887	0.2
432.48740	0.3
443.20483	0.2
575.21045	0.3
589.22235	0.2
590.23218	0.4
605.25635	100.0
606.26056	8.1
606.36029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37694	0.1
65.37780	0.1
70.06583	0.4
71.46471	0.2
73.40417	0.2
85.02913	0.2
86.09690	0.3
91.03882	0.2
111.22199	0.2
120.02169	0.1
121.02865	1.0
131.04932	0.1
137.05988	0.2
138.03078	0.5
141.01807	0.8
151.03888	1.6
153.01801	0.2
165.01869	1.0
166.02609	0.8
166.76286	0.2
177.05440	0.4
183.02884	0.6
183.09026	0.2
213.05457	0.3
230.05710	0.4
231.06514	0.3
241.04897	0.5
253.61731	0.2
255.06610	0.4
257.04440	0.4
258.05179	0.8
273.07504	0.2
285.03928	0.6
286.04733	2.5
297.03870	0.2
301.06955	0.2
313.03525	0.2
314.04181	17.7
315.04593	0.7
329.06531	100.0
330.06885	4.1
330.10620	0.1
469.53702	0.2
491.11813	8.8
492.12024	0.4
525.23340	0.2
544.97980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55318	0.8
55.01862	1.1
55.05507	0.9
59.66822	0.7
59.91065	0.7
60.04522	1.4
67.05477	1.4
68.05021	1.3
68.70532	0.8
69.03400	2.3
69.07063	1.5
69.15377	5.3
73.89449	1.0
79.05486	3.6
81.03413	1.9
81.07043	2.0
83.04968	0.9
85.02885	1.9
86.09678	1.0
91.05478	2.7
92.74830	0.8
93.07027	2.4
95.04956	1.9
95.08587	1.1
96.63944	0.8
97.02853	1.5
97.06532	1.6
99.04432	1.0
100.11226	0.9
103.05444	0.9
105.07019	7.4
107.04941	3.0
107.08572	2.9
109.02799	0.7
109.10144	1.0
114.09151	2.3
115.05451	1.5
116.07082	2.1
117.06975	1.4
119.08555	1.2
121.06511	4.4
121.10159	1.2
123.04421	2.7
125.05969	0.9
127.03893	2.3
128.06212	1.7
129.07011	4.9
131.04874	1.8
131.08542	3.6
133.06516	2.4
133.10110	1.4
134.08118	11.9
135.04384	5.1
137.02341	2.3
141.06976	12.3
143.08545	2.1
145.06487	2.3
145.10115	8.1
147.04436	0.8
149.05968	3.0
152.11072	0.8
157.06511	5.6
158.07272	1.2
159.08047	3.3
159.11658	2.7
161.05952	2.1
167.07024	10.5
169.06477	7.4
170.74522	0.8
173.05965	2.2
173.09590	10.0
176.04407	0.9
177.05289	1.0
181.08578	2.0
182.15352	1.8
185.05963	3.7
187.07544	7.4
187.11151	4.7
191.06960	1.2
193.08569	1.6
197.09540	1.8
199.07524	59.2
200.07967	1.8
201.05315	2.3
205.12209	3.2
215.10652	8.4
217.08594	15.5
217.69461	0.8
233.11714	9.4
245.04245	1.2
248.08243	1.3
259.09647	100.0
260.10034	1.9
261.08954	1.0
263.10608	0.8
274.04660	3.4
275.05457	2.5
278.09372	1.3
290.07724	4.4
293.08121	1.0
293.11432	1.2
321.11224	1.6
323.05322	1.1
323.08865	1.0
323.62894	0.8
337.12708	2.5
341.10287	5.8
349.03036	1.1
353.13730	6.5
355.13766	2.0
361.10483	1.4
362.10880	1.6
371.10922	1.0
372.11160	1.5
378.10257	1.0
380.11856	1.4
381.12961	1.3
392.11938	1.0
393.12567	2.0
394.06525	1.4
395.10895	1.7
396.11258	2.9
409.09372	1.0
410.13242	9.6
411.13672	17.5
412.14371	5.1
427.10251	15.3
499.17801	1.2
520.25836	1.3
546.17621	0.9
563.11145	2.0
563.27875	1.3
576.18787	2.9
606.19830	80.4
606.45837	3.0
607.10883	1.7
607.20081	4.6
607.27399	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40296	0.4
62.91818	0.4
65.84645	0.3
66.73920	0.3
67.05495	0.6
68.05026	1.6
69.03422	1.1
70.06589	0.6
77.91353	0.4
79.05482	1.7
80.05016	0.7
81.07061	0.9
87.87182	0.4
89.38356	0.4
91.05476	1.6
93.07040	0.6
95.04970	0.9
95.08627	0.6
98.06053	2.8
103.05459	0.7
105.07011	1.1
106.04158	0.4
107.04958	2.9
115.05471	1.6
116.07108	1.1
116.80850	0.3
117.07055	0.7
121.06509	1.8
123.04478	0.8
124.05197	0.6
128.06218	1.6
129.07013	3.3
131.04947	1.2
131.08592	1.9
133.06491	0.8
134.08136	23.4
135.04434	3.6
141.06998	13.4
143.04910	0.6
143.08563	0.9
145.06509	0.8
145.10110	0.8
149.05994	3.4
151.03896	0.5
152.04692	0.8
157.06503	4.7
159.08089	2.4
159.11739	0.6
161.05992	2.5
167.07062	12.2
169.06511	8.4
171.08034	0.5
173.06081	2.2
173.09573	1.1
179.07031	0.8
179.08604	0.4
181.08589	1.6
185.05994	2.9
187.07553	8.4
189.09088	0.7
193.08601	1.8
199.07556	59.3
200.07890	1.5
202.07800	0.5
203.08559	1.6
205.08669	0.6
211.07527	1.1
215.06979	0.8
215.10703	0.7
217.08606	13.5
229.08589	1.1
231.08066	1.2
233.11821	0.5
239.07033	0.4
259.09677	100.0
260.10117	2.4
261.09100	1.4
263.10587	0.4
278.09329	0.5
289.08698	1.7
293.11661	1.3
321.11307	2.6
322.11935	0.4
323.09183	0.5
353.13815	5.5
353.81088	0.4
427.10303	0.8
525.24890	0.5
606.19330	0.9
607.26428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35997	0.4
56.85820	0.4
57.26646	0.5
63.61393	0.5
70.06578	0.6
70.93058	0.4
87.98980	0.4
121.02876	1.0
127.82388	0.5
154.57277	0.5
156.17555	0.5
215.50899	0.5
215.75847	0.5
224.11430	0.5
299.05463	7.8
315.04208	0.5
324.09930	0.8
355.11496	6.4
377.22531	0.6
380.68939	0.5
445.15857	0.7
607.21460	100.0
608.21497	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
60.74605	0.4
61.28979	0.4
62.08873	0.5
67.88762	0.4
69.03436	0.5
69.56788	1.4
71.04996	0.8
73.95062	0.4
79.05466	0.7
79.63492	0.5
81.07054	1.9
83.91607	0.4
85.06535	0.5
91.05461	0.7
93.07032	1.2
95.04903	0.5
95.08587	0.5
105.07061	1.2
107.08583	1.0
109.06544	0.5
109.10172	0.9
119.08575	1.0
121.10126	0.7
123.07995	0.4
127.11165	1.1
128.51476	0.5
129.06953	0.5
131.08607	0.5
133.10104	0.8
135.11699	1.0
137.05962	0.4
140.57910	0.4
145.10150	0.8
147.11667	0.6
155.10690	0.5
161.13139	0.5
173.09633	0.5
177.05246	0.7
182.15541	0.4
205.12355	0.5
215.10681	0.6
218.59143	0.5
289.05347	0.7
305.24979	0.5
323.12604	0.6
370.59546	0.5
395.10965	3.5
410.13339	9.2
411.14136	0.9
447.90573	0.5
560.85962	0.5
563.28204	0.7
607.21289	100.0
608.21710	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
55.05518	0.3
61.74133	0.3
67.05483	0.5
69.03436	0.4
69.07077	0.4
71.04980	0.6
71.45912	0.3
79.05500	0.5
81.07047	1.1
85.02879	0.4
85.06505	0.3
91.05487	0.3
93.07048	1.2
95.08605	1.2
98.23416	1.0
105.07033	1.5
106.07340	0.4
107.04990	0.3
107.08582	1.4
108.08968	0.3
109.10155	0.8
117.07014	0.3
119.08576	0.7
120.08930	0.3
121.10119	0.9
125.09583	0.4
127.03975	0.4
127.11195	0.6
133.10080	0.6
135.11691	0.6
137.05997	0.5
143.10678	0.7
145.10095	0.5
147.11679	0.8
149.13229	1.2
159.11661	0.7
173.13364	0.3
177.05385	0.4
189.05179	0.5
201.16362	0.7
202.16711	0.5
248.89288	0.4
305.24686	0.6
327.92798	0.3
347.08810	0.4
359.73102	0.4
361.10498	1.2
363.11719	0.7
365.09949	1.1
377.10037	2.0
380.12259	1.7
381.13199	0.9
392.12167	2.5
395.11011	4.0
410.13339	6.3
411.13968	0.8
563.27997	1.1
577.19891	1.1
607.21173	100.0
608.21527	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04530	0.3
67.05512	0.3
69.03432	0.5
69.07086	0.4
69.78269	1.2
73.02935	0.3
73.80799	0.3
76.05080	0.3
79.05518	0.6
81.03430	0.4
81.07056	0.9
85.02898	0.3
91.05490	0.6
93.07072	0.4
95.08627	0.8
98.06075	0.4
105.07037	1.0
106.74812	0.3
107.08645	0.3
109.02888	0.3
109.10213	0.4
115.05428	0.3
119.08579	0.4
120.08109	0.3
121.10142	0.4
127.03964	0.4
131.05029	0.3
131.08661	0.4
134.08263	0.4
135.04420	0.3
141.07057	0.4
145.10110	0.6
147.11646	0.3
167.07005	0.5
173.09708	0.4
174.10068	0.3
187.07642	0.3
187.11200	0.5
199.07520	1.3
200.07828	0.7
201.05325	0.4
205.12244	0.6
210.96500	0.3
215.10669	0.7
232.06796	0.4
233.11578	0.4
234.12158	0.5
259.09653	2.5
260.10046	2.1
343.11554	0.4
395.11069	3.7
410.13324	8.7
411.13916	0.4
432.04666	0.3
563.27832	0.7
607.21350	100.0
608.21741	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41618	0.6
55.01879	0.7
55.05494	2.1
59.04964	0.9
67.05500	4.5
69.03401	1.5
69.07062	3.4
71.04951	0.7
74.50510	0.6
79.05493	4.1
81.03418	4.7
81.07051	6.9
83.04946	1.4
85.02883	1.0
85.06528	0.8
89.06001	0.8
91.05467	1.8
93.07022	5.2
95.04949	1.0
95.08601	1.6
97.02853	1.3
97.06538	1.2
105.07016	3.8
107.08548	2.7
109.02849	1.5
109.06427	1.2
111.04449	1.0
117.06962	1.4
119.08529	2.1
121.06439	1.4
121.10105	2.3
123.11655	0.7
127.03883	1.2
131.08531	2.3
133.10081	1.2
138.94479	0.7
141.06941	0.9
143.08575	0.8
145.10136	1.2
147.11641	1.7
149.13167	1.2
159.07941	1.0
159.11642	1.6
163.77361	0.9
173.09621	0.7
195.13702	1.2
199.07512	1.7
200.07710	0.8
213.14697	0.7
233.11732	1.1
239.90720	0.7
259.09570	2.5
260.09869	2.4
289.05255	1.1
303.15823	0.8
342.10587	1.1
361.10129	1.4
365.09766	0.9
367.07736	1.2
377.09686	2.0
380.12216	2.1
392.12128	2.0
395.11133	3.3
410.08344	3.5
410.13193	4.7
411.13940	1.0
445.28894	0.8
563.27484	2.9
577.20447	0.9
589.34180	0.9
595.96344	0.7
607.20929	100.0
608.21667	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2556
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05509	0.3
71.07415	0.3
71.46933	0.3
77.88684	0.3
79.05487	0.6
95.04967	0.4
95.08624	0.4
97.74316	0.3
107.08583	0.4
122.91943	0.3
133.10158	0.4
135.11755	0.3
144.14925	0.3
152.58192	0.3
235.12413	0.4
307.90152	0.3
374.15683	0.5
375.16324	0.7
377.17767	0.4
387.16461	0.4
388.16739	1.0
389.17596	3.1
390.18369	1.3
391.19183	1.3
402.14407	0.7
402.18671	0.9
403.19427	3.9
404.20139	1.5
405.20828	3.0
406.21576	0.5
415.19516	0.6
416.15802	0.7
416.20593	0.6
417.16333	4.7
417.21310	1.8
418.17505	1.1
418.21649	1.2
419.22537	6.5
420.23001	1.2
429.17331	0.6
430.17560	0.5
431.18304	7.7
432.19101	3.6
433.20074	4.0
435.21854	0.6
439.54715	0.5
443.18460	0.6
445.20004	5.0
446.21051	7.3
447.21732	7.5
448.22473	1.0
459.17343	0.9
459.22015	1.5
460.18381	0.9
460.23434	0.5
461.19894	2.4
463.20795	0.6
473.18610	0.5
473.24271	0.7
474.20474	4.4
475.21103	5.2
476.21936	0.4
477.22885	0.7
478.23633	0.8
487.21646	1.9
488.21286	0.4
490.23380	0.5
491.19962	2.3
501.22742	0.9
505.22430	0.7
506.22748	0.7
519.24084	16.2
520.24036	1.3
546.14441	0.3
547.23395	12.1
548.23737	1.1
561.24524	0.5
575.23010	0.3
579.26099	5.4
589.25085	0.4
606.41077	0.4
607.25488	100.0
607.40955	3.2
608.25885	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
61.64621	0.4
67.05528	0.5
77.43593	0.4
79.05521	0.5
90.34299	0.4
91.05494	0.5
93.07047	0.6
98.27105	0.4
105.07067	0.7
125.05219	0.4
137.67697	0.4
141.15375	0.4
158.86964	0.4
196.05428	0.4
225.03644	0.4
250.49899	0.4
314.18616	0.6
375.16046	0.8
387.16080	0.5
388.17194	0.7
389.17688	3.3
390.18121	1.0
391.19299	1.0
401.17841	0.9
402.18539	1.3
403.15015	0.5
403.19312	4.4
404.19736	2.4
405.20706	2.3
416.16034	1.0
417.16272	4.0
417.21524	1.4
418.17273	0.8
418.22061	1.0
419.17825	0.6
419.22424	6.9
420.23074	0.6
429.21231	0.7
430.17947	1.4
431.18274	8.1
432.19052	3.1
433.20047	3.2
445.20081	5.7
446.20935	5.5
447.21710	8.4
448.22424	0.7
459.17819	1.5
459.22342	1.5
460.19080	1.5
461.19876	0.9
462.24420	0.5
463.25616	0.6
467.21481	0.6
473.19437	1.0
474.20459	7.8
475.21207	10.6
476.21829	1.1
487.21301	2.8
488.21707	0.6
490.23706	1.2
491.20767	1.3
491.24286	1.5
501.23135	1.4
502.23251	0.9
506.22806	0.6
519.24170	12.1
520.24518	0.9
532.21014	1.0
547.23376	54.7
548.23761	5.0
561.24548	0.7
575.22168	0.6
579.25873	3.8
589.24591	1.0
595.66199	0.5
607.25464	100.0
607.39233	5.2
608.25745	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
50.20289	0.5
51.27989	0.6
60.69497	0.5
69.89747	1.7
69.90099	0.9
102.44471	0.6
108.12882	0.6
359.68521	0.7
398.52063	0.6
403.19199	1.3
404.20013	0.9
405.20868	0.9
417.20630	1.8
418.21832	1.3
419.22244	2.7
431.18250	4.8
432.19055	1.1
433.24020	5.7
434.24628	0.9
445.19827	6.0
446.21033	2.8
447.21521	4.1
448.22403	0.6
459.21829	1.9
460.22382	7.8
461.23224	10.2
462.24402	0.8
473.23389	2.7
474.24066	0.9
487.25027	1.7
492.25345	0.9
505.22360	2.0
506.26215	0.7
517.14093	0.6
519.27258	2.2
525.06598	0.7
532.24268	0.8
533.26019	0.8
547.26996	29.7
548.27094	2.8
575.26666	1.4
578.25476	0.8
579.30011	0.8
606.44989	4.1
607.29095	100.0
607.45135	4.2
608.29382	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
60.86326	0.3
69.77416	1.5
72.32622	0.3
77.75793	0.4
92.67707	0.4
98.15691	0.3
98.23233	1.0
119.00880	0.4
134.90765	0.3
257.57834	0.4
381.40195	0.4
390.18420	0.4
402.18326	0.5
403.19189	1.2
404.19754	0.6
417.20853	1.4
418.21719	0.6
419.22504	0.8
430.17334	0.4
431.18396	4.0
432.19009	0.5
433.23923	5.4
434.24567	0.8
445.19598	4.1
446.20782	2.1
447.21686	2.7
459.21609	3.1
460.22516	11.4
461.23264	14.2
462.23914	1.4
473.23529	2.8
474.24203	0.7
477.23361	0.4
487.24844	1.8
488.25174	0.4
491.24585	0.5
505.21609	2.0
515.24512	0.8
518.24030	0.6
519.27319	2.0
532.24695	0.9
547.27045	46.7
548.27112	3.7
575.26447	0.9
578.24994	0.6
579.29816	0.8
607.29120	100.0
608.29517	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.6
60.05624	1.3
68.05022	29.2
69.75494	2.3
69.75861	4.3
70.06590	9.0
70.82875	1.1
74.06081	2.7
81.07099	1.1
84.04506	1.3
84.63733	1.2
86.09704	100.0
98.23387	2.1
105.07010	1.3
113.07152	1.7
116.70693	1.2
122.44532	1.1
124.11220	1.6
126.09188	1.3
130.05002	3.4
141.10205	1.3
152.10736	1.5
153.13846	19.1
157.13364	4.6
163.12221	1.4
169.09738	2.4
169.13329	1.4
181.13351	93.0
182.13687	2.9
185.12810	6.0
189.05498	1.2
197.12926	1.7
209.12852	55.2
215.13896	5.7
243.09111	3.5
255.09061	4.4
268.16544	4.9
273.10147	1.7
286.17630	3.3
294.21820	3.4
322.21237	47.6
323.21503	3.0
328.13419	1.3
349.16693	6.3
365.25586	1.7
367.17920	18.1
368.18274	1.6
381.24933	8.4
385.18915	3.5
393.24973	32.4
394.25247	2.0
399.26022	3.0
474.49490	1.2
494.29788	1.3
506.33115	3.2
563.27808	2.0
577.20209	1.7
589.37219	9.0
607.26605	13.3
607.37427	4.0
608.27393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99814	1.0
64.51003	0.4
67.05454	0.5
77.00912	3.8
79.05408	0.4
81.07010	0.7
83.08591	0.4
91.05472	0.7
95.01944	2.0
95.08546	0.6
97.10124	0.5
98.22667	1.3
107.08551	0.5
133.10040	0.5
141.03928	0.6
153.03946	0.7
155.05498	0.6
155.64302	0.4
167.05508	0.4
169.07039	0.8
171.04961	0.9
173.06512	0.9
181.07069	0.5
182.04195	0.9
183.08612	0.9
187.08076	1.6
195.08617	0.7
199.08130	0.6
201.09703	3.8
203.07484	0.5
203.09149	0.6
207.05054	2.7
209.10168	1.1
210.07291	0.9
213.09656	1.5
215.11230	2.0
219.10690	1.1
221.06532	1.8
223.11823	1.3
224.11446	0.4
225.06053	0.9
225.09607	0.7
227.11189	1.2
229.12732	0.9
235.11623	0.7
237.09802	0.5
237.13379	2.5
239.11201	0.7
241.12830	1.4
243.14275	0.9
246.11009	0.6
251.11293	1.2
253.12914	0.5
255.14310	3.4
259.11752	0.4
259.15210	0.4
261.13303	0.8
263.11331	1.3
264.12149	2.0
265.12860	1.9
269.12305	0.5
269.16000	0.6
271.15424	0.5
273.17068	1.9
277.12762	1.9
281.12213	0.8
282.13141	1.1
283.13904	1.4
289.16531	2.3
291.14703	0.8
291.18018	7.3
294.51538	0.4
295.13821	0.8
297.17014	1.0
303.18088	1.1
309.19028	5.1
313.16418	1.5
314.19550	0.5
315.18259	14.3
316.18417	1.2
332.20529	0.7
333.19080	100.0
334.19403	6.9
335.19827	0.5
351.20123	7.0
352.20453	0.4
356.20682	10.9
357.20911	0.7
537.93079	0.5
607.38422	94.7
608.38635	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	0.4
73.89826	0.3
93.07008	0.5
98.23090	2.1
112.56855	0.3
120.87141	0.3
122.53278	0.4
233.73766	0.4
315.19427	1.4
357.54340	0.3
381.29703	0.5
475.21429	0.4
495.34680	0.7
607.39655	100.0
608.40283	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58122	0.6
57.13640	0.6
67.05499	1.3
74.70283	0.6
79.05492	1.1
93.07062	1.3
105.03172	2.8
107.08642	0.8
123.11581	0.8
171.07898	1.3
172.08618	1.4
185.09392	1.8
187.11031	2.0
197.88635	0.6
209.13516	0.8
213.12595	0.6
255.17220	1.3
285.14725	2.9
314.18710	3.0
315.19516	0.9
384.70642	0.6
415.45541	0.8
469.25739	0.9
505.07397	0.8
565.28070	0.9
589.38934	0.9
607.39703	100.0
608.27771	1.3
608.40430	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.81348	0.8
67.05496	1.7
69.49214	4.0
72.81165	0.8
81.07076	2.1
83.52721	0.8
91.05486	1.4
95.08641	0.9
96.70130	0.8
105.07083	1.2
181.56436	0.8
222.80650	0.9
314.18475	1.8
315.18915	1.7
340.67691	0.9
432.18161	15.2
446.19754	17.7
447.20551	7.4
448.21353	1.4
460.21396	4.1
461.22101	37.6
462.22916	7.2
474.22461	1.2
476.24512	29.0
477.24969	2.4
488.69144	1.0
495.34702	2.0
519.22742	1.4
520.23242	7.9
531.23505	1.6
534.25134	16.9
549.27350	68.2
550.27521	2.6
590.41290	1.9
607.40320	6.8
608.28400	100.0
608.42456	71.0
609.27594	8.6
609.36841	1.0
609.40924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34411	2.2
61.30563	2.5
67.05529	3.3
69.58038	5.9
69.58427	5.5
106.29410	2.7
119.07365	2.4
129.91727	2.9
146.11812	3.0
213.68755	2.7
246.16701	2.7
257.00946	2.5
317.20779	3.2
392.47031	2.4
503.33893	3.1
608.40601	100.0
608.50342	5.2
609.26880	9.7
609.40906	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84191	0.4
54.30614	0.4
54.50138	0.5
69.10941	2.8
73.44484	0.4
81.07071	0.6
98.22693	0.8
129.94376	0.4
154.08302	0.4
201.54741	0.4
295.20651	0.5
314.18478	0.5
390.74387	0.4
429.20618	0.8
431.17960	0.7
432.18121	3.0
433.20081	0.5
444.22913	0.6
446.19775	3.8
447.21011	2.0
459.21738	1.5
460.21640	1.5
461.22217	8.9
462.22510	2.9
463.21686	0.5
472.22339	0.4
475.23569	0.6
476.24503	6.7
476.34802	0.6
477.24493	0.7
487.25021	0.7
495.34351	3.6
519.23547	0.9
520.23492	2.7
521.24298	0.6
531.24017	5.7
534.25079	4.2
535.24927	0.7
548.26392	0.7
549.27240	17.9
550.27808	3.2
590.41138	1.2
591.26239	1.0
608.28308	23.6
608.42474	100.0
609.27283	27.0
609.42542	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
91.43904	0.2
98.73389	0.2
111.57751	0.2
171.09456	0.2
176.00876	0.2
183.09172	0.2
197.10832	0.3
209.10799	0.4
211.12206	0.5
222.11594	0.4
223.12383	0.6
224.13045	0.2
236.13332	0.3
237.13895	0.5
238.14705	0.3
239.15396	0.3
249.13846	0.3
251.15627	0.6
253.09708	0.3
286.13440	0.2
300.14658	0.2
312.15106	0.3
350.16599	0.3
355.07104	0.2
361.15295	0.3
374.16425	0.3
375.16467	0.4
376.17264	0.6
377.17645	1.0
378.18671	0.5
386.15619	0.3
388.17892	0.4
389.18646	1.1
390.18530	1.3
391.19250	3.0
392.20032	2.0
393.20825	0.5
400.16907	0.6
401.17606	1.1
402.19284	0.3
403.19617	1.0
404.20761	1.3
405.20975	4.0
406.16702	0.3
406.21573	3.2
407.22247	3.7
413.17651	0.6
414.18613	0.5
415.19211	2.4
416.20142	0.8
417.16623	0.5
417.21033	0.8
418.17285	0.4
418.21750	0.8
419.18567	1.5
419.22504	1.4
420.23889	1.1
421.18735	0.4
421.23895	5.2
422.24689	0.6
427.19296	0.8
428.19846	0.9
429.20987	2.6
430.22064	1.6
431.18396	1.0
431.22626	1.0
432.18781	1.2
433.15744	0.6
433.20264	2.2
433.24554	0.9
434.20798	0.5
442.21426	0.7
443.22305	0.9
444.23239	0.8
445.20242	2.0
446.21451	1.0
447.17255	3.2
448.18896	1.0
449.23981	1.3
457.23862	1.2
458.25363	0.3
459.22183	1.6
460.23645	1.4
461.19278	7.2
462.20187	3.2
463.21030	1.6
465.22818	0.5
469.23404	0.3
471.17569	0.5
472.23077	0.6
473.19046	1.3
474.20068	1.6
475.21216	9.0
476.21793	6.0
477.22400	3.7
478.23505	0.9
479.24243	0.7
484.18338	0.4
485.23608	4.5
486.20071	1.9
487.21082	0.9
487.25912	0.4
488.22250	1.3
489.23022	4.3
493.21829	0.5
493.26801	0.3
494.26959	0.8
497.23221	0.6
499.21191	2.7
500.21997	1.4
503.24649	5.8
504.24698	0.9
505.22345	0.9
507.23727	0.7
513.22937	1.0
514.23352	0.5
515.24487	4.4
517.22424	1.7
518.23242	0.3
521.25226	2.0
522.25891	0.3
531.23914	7.0
532.24481	0.7
533.25665	0.4
535.23285	0.8
541.22644	0.6
549.24994	1.8
550.25714	4.4
559.23407	3.6
560.24091	0.5
563.26636	0.8
577.24542	1.4
591.25946	11.1
592.26538	0.5
609.27026	100.0
610.17761	0.5
610.27405	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.12555	0.5
69.39996	2.1
115.16833	0.5
116.81985	0.5
259.21100	0.5
305.80402	0.5
371.50476	0.5
376.17645	0.6
391.19183	1.1
392.19785	0.8
405.20877	1.6
406.21649	1.1
407.22443	1.6
415.19455	1.4
419.22992	0.6
420.23206	0.8
421.23950	1.8
427.19373	0.5
429.20862	1.7
430.22134	0.7
433.20215	0.9
443.22504	0.8
444.23218	0.8
446.20856	0.5
447.17551	0.7
447.22604	0.6
448.18649	0.6
449.23505	0.5
457.24319	1.0
459.22043	1.5
460.22736	0.6
461.19009	2.4
462.20639	1.4
469.02640	0.4
474.20319	0.5
475.21158	4.3
476.21744	2.5
477.22552	2.2
485.23557	3.8
486.20645	1.3
488.22031	1.0
489.22916	2.6
494.27640	0.6
499.21066	0.9
500.21756	0.7
503.24683	2.5
504.25403	0.9
513.22760	0.7
515.24390	4.1
521.25513	1.2
531.23877	8.3
535.23596	0.8
549.25153	1.3
550.25922	2.5
559.23462	4.2
577.24042	0.8
591.26074	27.4
592.26392	1.9
609.27075	100.0
610.27228	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
57.67992	0.7
63.82892	0.6
67.05527	1.2
73.04770	0.9
81.07064	1.3
83.45061	0.6
91.91745	0.6
98.67348	0.6
105.07021	0.6
106.58409	0.6
108.38293	0.7
119.08570	0.7
121.10213	1.0
122.07274	0.9
133.10178	0.6
152.07083	0.8
177.73026	0.7
209.10802	0.7
213.09074	0.8
220.86604	0.6
221.04617	0.7
237.10101	0.8
239.09592	0.7
241.85963	0.6
259.09906	0.8
271.09644	1.1
273.11252	5.1
285.00833	0.8
355.07098	1.0
373.09247	0.7
391.19305	1.2
392.20135	0.9
404.20151	1.0
405.16507	1.0
405.21149	1.4
406.21631	1.0
407.22189	1.1
415.19547	1.2
418.18185	1.0
419.18170	1.4
419.22733	1.9
421.24271	1.4
431.18295	1.3
433.20099	4.2
434.21225	1.7
435.21939	1.5
445.20190	2.4
446.21249	1.2
447.22784	3.6
448.22644	2.5
449.23727	3.9
450.23862	0.8
459.22284	0.8
461.19855	2.1
462.20490	1.5
463.21503	2.4
475.21173	1.5
476.22134	5.4
477.22266	4.4
489.22989	1.7
490.23593	0.9
519.24200	3.6
521.22437	2.0
521.25342	2.0
531.23956	2.0
549.24927	16.0
550.25574	1.2
591.25775	1.9
609.27075	100.0
610.27484	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
59.74671	0.5
62.87064	0.5
67.05513	0.7
73.04737	0.6
77.73143	0.4
79.05478	0.7
81.07053	0.9
84.32923	0.5
93.07048	0.7
95.08612	0.6
105.07043	0.5
105.86327	0.4
119.08576	0.5
133.10158	0.6
145.10172	0.7
190.92381	0.5
199.65263	0.5
352.05038	0.5
389.17657	1.1
391.19327	1.7
401.17529	0.5
402.18829	0.8
403.19437	1.3
404.20340	0.8
405.20920	2.3
406.21600	0.6
407.22559	1.5
415.19516	0.8
417.16333	0.9
417.20963	2.2
418.17209	0.7
419.17609	0.7
419.22888	2.8
419.72916	0.5
420.23480	0.7
421.23822	0.7
430.17691	1.5
431.17856	2.8
432.19324	1.0
433.20273	8.5
434.20898	0.8
443.18701	1.6
444.19659	1.6
445.19879	3.2
446.20932	2.7
447.21844	3.7
448.22794	1.4
458.21063	5.0
459.21854	4.6
460.22815	3.9
461.19742	0.9
463.21274	2.1
465.22916	0.8
473.23151	1.0
475.21384	1.9
476.22086	1.4
477.22903	1.6
487.24786	0.6
491.20798	0.6
505.21927	0.6
517.21979	0.9
518.22937	2.7
519.23920	9.3
520.24445	0.9
521.22015	1.5
521.25818	1.4
531.23993	1.8
532.24634	1.3
549.24854	5.0
576.24127	0.8
590.42041	2.5
591.26062	13.4
591.41016	2.6
592.26208	0.9
608.42749	2.0
609.27051	100.0
609.43335	4.1
610.27454	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.51552	0.3
56.08558	0.3
60.85886	0.3
67.04047	0.4
67.05503	0.6
69.46161	0.8
69.46550	0.7
81.07056	0.8
88.34428	0.4
107.08569	0.5
109.06552	0.5
164.61238	0.4
166.19020	0.3
239.15410	0.4
251.15550	0.5
309.16559	0.4
315.18979	0.6
317.20944	0.7
332.19269	0.4
355.07095	0.5
390.18134	0.4
391.19403	0.9
392.20493	0.4
405.20877	1.2
414.18698	0.6
415.19293	1.5
416.20255	0.5
419.17905	0.6
419.22446	1.1
420.23450	0.6
428.19870	0.8
429.20908	3.2
430.21487	1.3
431.17914	1.7
432.19522	0.5
433.15500	0.7
433.24783	1.8
434.21048	1.1
435.21902	0.7
443.22470	1.3
444.23645	1.9
445.19843	1.1
447.17706	1.3
447.22232	1.6
448.22287	0.8
449.23425	1.4
458.25089	0.8
459.21674	5.5
460.22873	2.2
461.19238	1.9
461.23544	3.1
462.20667	2.3
463.21408	1.3
471.21652	0.8
472.22607	1.8
473.23474	1.4
474.24594	0.8
475.20959	0.5
475.25235	1.2
476.21899	3.7
477.22577	2.9
479.24435	0.5
485.23676	1.6
486.23950	0.6
487.25119	3.9
488.22125	0.5
489.23196	1.8
490.23425	0.7
492.24948	0.5
493.26196	0.8
503.24652	2.7
505.26172	0.9
507.23846	0.5
519.23944	2.9
521.21277	2.8
531.23914	25.5
532.24475	3.0
534.22620	0.7
535.24078	0.5
548.10730	0.4
549.24951	15.5
550.26355	1.3
563.26465	1.2
590.41840	0.5
591.25897	3.7
591.40826	0.6
608.42743	8.2
609.27063	100.0
609.41785	14.0
610.27380	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
55.69835	5.3
57.75081	5.3
67.05496	12.2
69.03409	6.6
69.44936	6.1
71.04985	15.8
71.46104	5.4
73.04763	8.3
73.22105	5.4
79.05497	9.3
81.07055	9.6
91.05833	7.0
93.07043	12.5
95.08601	13.4
99.08126	9.1
105.07021	10.6
107.08602	13.3
109.10159	21.6
111.08096	16.9
119.08604	12.1
120.31429	5.7
121.10107	8.7
123.58962	5.0
125.09634	21.4
127.11207	32.5
131.08556	7.1
133.10153	9.0
135.11600	5.8
143.10703	21.0
145.10162	10.4
147.11703	13.0
151.03891	5.4
152.32634	4.6
155.10666	100.0
155.11823	8.3
157.10181	12.1
159.11674	13.0
165.12724	5.2
183.13770	8.0
185.13298	7.3
197.13284	16.8
201.42218	5.1
209.15256	12.7
211.14865	11.6
214.25317	15.8
215.25641	6.3
283.20590	16.2
285.22037	7.6
301.21497	15.1
303.23209	5.5
317.06418	8.6
329.06601	12.4
353.06595	11.1
355.07178	17.0
435.32101	9.7
453.33636	26.2
465.15234	8.5
471.34674	40.9
591.25433	27.2
609.27039	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4123
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
57.25074	0.5
69.14273	0.4
69.33486	2.2
69.33891	1.0
75.73233	0.4
79.05492	0.4
86.90208	0.5
95.08543	0.5
116.11236	0.4
129.80460	0.5
254.97128	0.4
273.60666	0.5
315.19363	2.7
317.20926	1.0
391.19354	0.9
392.20123	0.5
405.19977	0.5
406.21387	1.0
407.21942	0.9
421.23993	1.0
435.21774	1.2
462.20624	0.5
463.21188	1.4
475.21255	1.0
476.22137	0.7
477.22922	1.6
478.23511	0.8
485.23386	0.8
487.24704	0.6
515.24408	0.9
531.24121	1.1
535.23413	0.8
539.32886	0.6
546.79346	0.5
550.25775	2.2
591.25659	1.6
591.40173	20.8
592.40491	1.4
609.27112	11.3
609.41187	100.0
610.27246	1.4
610.41467	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84544	0.3
65.10615	0.3
65.74479	0.4
69.99646	1.1
70.85568	0.4
73.04766	1.0
75.67668	0.3
91.05813	1.2
95.22420	0.4
157.46159	0.4
193.41568	0.4
268.97845	0.6
285.01065	0.7
299.06210	0.6
331.18869	0.5
333.78812	0.4
355.07101	1.8
361.44775	0.4
373.08353	0.4
406.06335	0.4
532.02985	0.4
591.26227	0.5
609.41266	100.0
610.41565	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02456	0.6
58.82505	0.5
62.01788	0.5
67.05515	0.6
69.45803	1.5
69.46203	2.0
74.75378	0.5
91.05840	0.6
103.02327	0.6
109.40383	0.5
122.92761	0.5
165.10521	0.6
169.42940	0.7
191.50128	0.6
231.84471	0.6
234.60881	0.6
234.98393	0.5
251.87383	0.6
256.81290	0.7
257.90659	0.7
327.44516	0.7
355.06952	0.9
449.06320	1.9
593.28424	0.9
611.11609	100.0
611.31439	3.6
612.11938	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
55.01867	0.2
55.05508	0.2
57.03439	1.9
59.04988	0.2
61.02929	1.3
64.21846	0.1
68.99785	0.4
69.03424	0.4
70.06582	0.3
71.04992	10.3
71.46009	0.1
72.08168	0.1
73.02915	0.7
75.04461	0.5
80.00480	0.1
81.03404	0.4
83.04970	0.6
83.29251	0.1
85.02901	13.7
87.04435	0.3
91.03947	0.9
93.03385	0.3
95.04996	0.3
97.02878	1.1
99.04436	0.3
99.75948	0.1
106.47373	0.2
109.02870	0.5
111.00816	0.8
111.04456	0.5
121.02834	0.8
123.04443	0.3
127.03916	0.7
129.05476	3.6
129.06425	0.2
135.04364	0.2
137.02335	2.6
137.03368	0.3
139.03873	0.2
145.04985	0.4
145.06386	0.2
147.06499	1.2
149.02321	0.6
153.01817	2.8
155.04907	0.1
161.06032	0.3
163.03937	0.6
163.06032	0.2
165.01842	1.5
173.06007	0.3
183.02899	0.7
183.04329	0.2
187.04147	0.2
195.02831	0.2
201.05458	1.3
205.04958	0.1
215.03276	0.2
219.06485	0.3
229.04950	3.0
247.06021	0.6
257.04416	1.7
274.04810	0.5
285.03937	1.2
287.05624	0.3
303.04965	100.0
304.05316	3.0
315.04953	0.9
345.06079	0.8
361.34448	0.2
369.05951	0.4
382.13165	0.2
447.08853	0.3
447.94702	0.2
449.10519	0.3
465.10300	1.3
533.83777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03443	1.8
58.95782	0.3
61.02920	1.7
63.89908	0.3
67.68441	0.3
68.99787	0.4
69.03423	0.6
69.22558	0.7
69.22946	0.7
70.06590	0.3
71.04993	10.1
73.02897	0.6
75.04487	0.5
83.04968	0.5
85.02905	13.6
91.03929	1.0
93.03413	0.4
97.02881	1.1
99.04439	0.3
109.02850	0.4
111.00812	0.6
111.04446	0.3
113.01286	0.3
115.49328	0.3
121.02871	1.0
121.06527	0.4
127.03942	0.9
129.05502	3.1
132.35475	0.3
137.02341	2.6
147.06523	1.1
149.02367	0.4
153.01831	3.0
163.03944	0.6
163.11214	0.6
164.11586	0.4
165.01833	1.7
183.02866	0.6
201.05504	1.2
229.04942	3.8
238.87836	0.3
247.05992	0.8
250.52509	0.3
257.04471	2.5
274.04666	0.4
285.03986	0.9
287.05539	2.2
300.15848	0.6
303.04984	100.0
304.05331	4.3
317.06528	0.6
380.11621	0.6
406.35828	0.3
461.59000	0.4
465.10007	0.9
629.29346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.90136	0.2
53.03940	0.4
54.72905	0.2
55.01866	0.3
57.03426	0.8
61.02925	1.8
68.99797	0.3
69.03420	2.1
69.85915	0.5
69.86241	0.2
73.02913	0.6
81.03416	0.9
85.02903	9.3
91.03946	1.3
97.02889	3.1
98.05476	0.2
99.04445	0.7
107.04945	0.3
109.02877	0.7
111.00818	0.3
121.02850	1.9
127.03898	1.6
133.02844	0.4
135.04387	0.2
137.02301	0.5
145.04941	2.6
147.04376	0.3
153.01820	3.0
163.06001	0.6
164.04118	0.2
165.01794	1.4
183.02869	0.8
185.05992	0.4
213.05420	0.9
231.06488	0.6
241.04924	0.5
247.25496	0.2
258.05280	1.1
259.06100	0.4
287.05478	100.0
288.05789	3.8
299.05560	0.4
329.06470	0.6
353.06534	0.4
449.10577	0.4
611.21307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Isorhamnetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
54.31820	0.3
55.01870	0.2
57.03437	2.3
59.05005	0.5
61.02923	1.7
69.03065	0.4
69.03429	8.0
70.06601	0.3
70.74284	0.4
73.02910	0.9
73.04762	0.2
75.04471	0.5
81.03413	0.5
84.08179	0.3
85.02905	6.1
87.04464	4.5
89.05994	0.2
91.03929	1.3
92.02615	0.7
93.03407	0.6
95.04967	0.4
97.02893	5.8
99.04465	0.3
104.60314	0.2
109.02839	0.5
111.04504	0.3
115.03931	5.2
121.02875	0.9
121.06561	0.2
127.03902	0.8
133.04965	4.9
136.46085	0.2
137.02281	0.2
137.06007	0.4
139.03894	1.1
145.04980	0.6
151.03876	1.1
153.01823	5.4
163.03951	0.3
165.01871	0.5
177.05455	0.3
201.05547	0.5
203.03476	0.3
217.04968	0.4
218.05774	0.4
228.04123	0.9
229.04932	2.5
245.04382	0.7
246.05255	1.0
257.04462	1.9
260.03165	0.3
261.07657	0.3
273.03915	1.2
274.04675	3.4
284.03052	0.3
285.03940	3.8
287.05524	0.9
302.04208	11.0
303.04822	2.0
317.06546	100.0
318.06918	3.5
329.06702	0.7
359.07324	0.8
383.07568	0.6
461.10925	0.3
479.11624	0.5
611.38367	0.6
636.78278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Cyanin
Peak:m/z	Relative Intensity
54.54783	0.2
55.01850	0.2
55.60630	0.1
57.03426	0.3
58.03889	0.1
61.02924	4.1
67.21461	0.1
68.99804	0.3
69.03429	0.8
70.06579	0.5
72.08108	0.2
73.02914	1.0
74.44353	0.2
81.03403	0.2
85.02904	3.9
86.09715	0.4
91.03947	1.9
91.05787	0.2
95.34081	0.1
97.02892	1.9
99.04450	0.3
104.37856	0.1
105.03388	0.2
107.04945	0.2
109.02857	0.2
111.00774	0.6
121.02875	2.0
127.03890	0.5
129.25780	0.2
130.05031	0.2
133.02844	0.5
137.02318	0.6
137.05969	0.2
145.04955	0.5
147.04408	0.5
147.07579	0.2
151.03865	0.2
153.01811	2.8
153.06837	0.1
157.06575	0.2
161.05994	0.2
165.01819	1.3
183.02864	0.7
185.05971	0.3
189.05502	0.2
213.05493	1.0
231.06522	0.5
241.04900	0.7
258.05240	1.0
259.05945	0.4
276.24689	0.1
287.05481	100.0
288.05838	2.8
299.05826	0.4
329.06546	0.3
443.33527	0.2
449.10767	8.8
450.11343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14392	0.7
56.96572	1.1
67.05519	1.0
73.04747	1.2
79.05502	1.1
81.03436	0.8
81.07048	1.6
85.02865	1.2
91.05817	1.9
93.07068	1.0
95.08593	0.9
98.23530	1.6
98.97612	0.8
100.11307	0.8
105.07012	1.3
109.10138	0.8
115.47099	0.8
119.08608	0.9
121.10081	0.8
127.03884	1.0
129.07019	1.2
137.02356	1.1
145.08995	0.9
149.01201	0.9
201.05495	1.0
229.50349	0.8
230.50597	0.9
237.03073	1.0
245.06421	1.6
277.17532	1.0
279.93896	0.9
285.00977	1.0
287.03833	1.5
289.05304	7.1
315.05215	1.1
343.80347	0.9
345.24002	31.7
347.25574	19.1
355.07159	1.1
356.07135	1.7
363.25079	12.9
372.99753	0.9
385.12927	0.9
407.11432	1.0
523.25543	1.6
525.30365	1.6
551.17084	0.9
567.23956	1.4
567.31458	15.9
611.30615	100.0
612.30780	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28215	0.9
55.05510	1.6
58.99865	2.2
67.05505	3.6
67.41400	1.0
69.07056	2.7
69.13307	2.5
69.13730	4.5
69.46294	0.9
73.04753	1.9
77.00903	11.4
79.05492	6.3
81.07052	3.4
91.05427	2.1
93.07037	7.3
95.01940	9.1
95.08623	3.7
96.82082	1.1
98.22706	2.3
98.98470	1.1
105.07025	3.3
107.08589	3.3
109.10179	1.9
117.07046	1.5
119.08582	4.4
121.10147	3.6
131.01888	8.4
131.08525	1.3
133.10139	2.4
135.11702	1.9
145.10144	2.4
147.11722	1.1
149.02957	3.9
159.11711	1.9
161.13214	1.5
167.05597	1.3
171.11768	1.4
172.91711	1.0
173.06639	1.3
179.09004	1.1
183.08640	1.0
187.08119	2.5
193.10742	1.0
197.10231	1.1
199.08185	1.1
201.07976	1.0
201.09740	4.4
201.16327	1.1
202.17274	0.9
205.10730	1.4
207.12297	1.3
213.09698	1.2
215.11278	6.2
227.11304	1.9
229.12857	5.9
235.11911	1.6
241.12874	1.6
243.14395	3.2
247.11694	3.3
261.13358	2.9
261.81714	1.1
273.13156	1.6
275.15039	2.0
289.16650	1.3
293.16022	1.5
297.16956	8.3
299.18512	49.4
300.18753	2.4
301.16748	1.5
301.20087	2.1
313.16412	2.7
315.18097	29.5
316.18439	1.8
317.19592	100.0
318.19727	6.8
319.21124	2.8
323.76111	1.1
329.19452	1.2
333.18689	2.0
334.17862	2.5
335.20657	47.9
335.25073	2.3
336.20911	2.7
338.19580	5.1
338.32144	1.2
340.21213	17.2
341.19955	3.2
343.21182	1.9
355.07083	1.8
355.21146	1.6
356.07214	1.5
358.22339	3.1
371.24384	1.4
381.22903	1.3
385.25900	1.2
409.26001	2.3
423.27615	1.2
437.29251	1.3
440.12872	1.1
462.07596	1.3
575.39429	13.7
576.39795	2.5
593.40387	1.2
611.20844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11456	0.4
58.99871	0.5
64.60370	0.4
67.05498	1.0
73.04749	0.5
77.00898	2.1
83.01007	0.5
91.05764	1.5
93.07027	0.6
95.01952	0.9
98.22787	1.3
98.23447	0.7
167.05542	0.6
169.07156	0.8
185.10214	0.4
187.08244	0.7
201.09758	1.4
217.10863	0.6
219.10855	0.8
221.10251	0.8
223.11861	0.4
227.11279	1.4
235.11836	1.0
239.11360	0.7
241.12910	0.5
243.14297	0.6
265.13025	0.5
279.14505	0.5
317.20895	100.0
318.21344	2.7
335.20691	26.3
336.20886	2.5
353.21780	10.5
354.22037	0.8
355.06842	0.6
356.06927	0.8
358.22342	4.2
611.25568	1.2
611.41589	35.3
612.41797	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
63.60360	2.0
67.05507	7.4
70.31203	3.4
74.51057	2.1
76.28532	1.7
79.05501	6.2
80.42088	1.8
81.07070	7.4
86.09708	100.0
91.05494	9.3
93.07055	6.9
95.04937	1.9
95.08591	4.3
105.07009	4.5
107.08612	2.3
110.20406	2.1
117.07023	4.0
119.08588	2.9
121.10165	2.6
129.06978	3.1
131.08592	4.6
145.10196	3.6
146.11763	37.7
147.11795	2.6
171.11581	2.1
185.13301	1.9
291.17047	2.1
333.52115	2.1
477.84653	2.1
612.46338	2.4
614.87836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42175	0.5
53.03943	2.6
55.01857	2.3
57.03423	1.5
61.02908	1.6
64.01997	0.5
67.05521	0.7
68.99780	2.3
69.03426	9.3
71.04982	1.1
73.02900	1.4
81.03407	10.2
81.03842	1.0
81.07043	0.7
83.08663	0.5
85.02911	12.0
86.09689	0.9
87.00838	5.6
97.02884	6.8
97.06510	1.1
98.18078	0.6
99.04454	2.5
103.03948	0.5
105.01856	2.3
109.02867	9.8
117.01862	1.0
127.03914	11.7
129.01787	0.7
131.08484	0.7
137.05988	1.0
145.04962	3.0
145.10103	0.5
152.76248	0.5
159.02869	3.1
165.07048	0.9
167.06981	0.6
177.06993	1.9
179.08537	1.6
189.06979	3.9
193.06528	1.1
205.06453	13.9
207.08075	3.2
213.03922	2.0
217.06459	5.0
231.04877	1.9
233.05968	23.7
234.06613	1.4
235.07510	18.0
237.05519	0.7
245.05975	3.4
246.06831	1.0
247.07558	2.5
249.05391	2.7
261.05475	12.6
262.06250	3.5
263.07007	29.4
264.07300	0.8
265.04855	1.0
271.92902	0.6
273.05371	2.9
274.06219	0.7
275.07150	3.8
277.05020	2.7
279.06555	1.8
289.04962	9.7
290.05685	2.3
291.06500	44.4
292.06992	1.2
293.04401	0.9
303.06512	2.6
305.04510	0.7
306.05209	1.5
307.06018	5.8
317.04388	5.0
319.06012	4.6
320.06778	3.3
321.07547	23.4
323.05640	0.6
335.05478	46.4
336.06012	0.7
337.07108	1.8
347.05484	13.0
365.06549	100.0
366.06876	1.9
415.04584	1.3
526.08423	0.7
612.34491	0.8
613.30939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01868	3.4
57.03425	2.8
61.02918	1.7
68.99775	1.4
69.03117	0.8
69.03428	9.4
69.78135	0.8
71.04985	2.1
71.46863	0.8
73.02903	3.2
75.53811	0.8
81.03405	12.9
82.86423	0.8
85.02905	23.6
87.00826	12.2
91.03981	1.1
95.08600	0.8
97.02890	13.8
97.10143	0.7
99.04424	4.4
99.80329	0.8
105.01842	6.9
107.04902	0.8
109.02865	16.1
109.20303	0.7
117.01845	1.5
121.10123	0.7
127.03905	18.0
129.01855	1.1
145.04974	6.0
151.07536	1.5
159.02924	6.0
175.05464	1.1
177.06978	1.8
181.24460	0.7
182.02782	0.8
191.04948	1.0
203.04947	1.8
205.06453	5.3
213.03912	1.5
217.06369	0.7
231.04677	3.8
233.05974	25.8
235.04021	0.9
237.05440	2.1
261.05460	44.0
262.06070	1.7
263.06982	9.8
277.04932	1.0
279.06451	4.6
289.04929	50.8
290.05341	1.5
291.06454	11.6
293.04459	2.4
305.04636	1.4
307.05994	49.0
317.04416	21.6
319.06006	20.5
321.07562	12.9
322.08047	1.1
335.05469	100.0
336.05795	3.0
347.05478	79.0
348.05807	2.7
365.06558	80.6
366.07028	2.4
369.19519	1.2
613.32581	1.4
641.95264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42175	0.5
53.03943	2.6
55.01857	2.3
57.03423	1.5
61.02908	1.6
64.01997	0.5
67.05521	0.7
68.99780	2.3
69.03426	9.3
71.04982	1.1
73.02900	1.4
81.03407	10.2
81.03842	1.0
81.07043	0.7
83.08663	0.5
85.02911	12.0
86.09689	0.9
87.00838	5.6
97.02884	6.8
97.06510	1.1
98.18078	0.6
99.04454	2.5
103.03948	0.5
105.01856	2.3
109.02867	9.8
117.01862	1.0
127.03914	11.7
129.01787	0.7
131.08484	0.7
137.05988	1.0
145.04962	3.0
145.10103	0.5
152.76248	0.5
159.02869	3.1
165.07048	0.9
167.06981	0.6
177.06993	1.9
179.08537	1.6
189.06979	3.9
193.06528	1.1
205.06453	13.9
207.08075	3.2
213.03922	2.0
217.06459	5.0
231.04877	1.9
233.05968	23.7
234.06613	1.4
235.07510	18.0
237.05519	0.7
245.05975	3.4
246.06831	1.0
247.07558	2.5
249.05391	2.7
261.05475	12.6
262.06250	3.5
263.07007	29.4
264.07300	0.8
265.04855	1.0
271.92902	0.6
273.05371	2.9
274.06219	0.7
275.07150	3.8
277.05020	2.7
279.06555	1.8
289.04962	9.7
290.05685	2.3
291.06500	44.4
292.06992	1.2
293.04401	0.9
303.06512	2.6
305.04510	0.7
306.05209	1.5
307.06018	5.8
317.04388	5.0
319.06012	4.6
320.06778	3.3
321.07547	23.4
323.05640	0.6
335.05478	46.4
336.06012	0.7
337.07108	1.8
347.05484	13.0
365.06549	100.0
366.06876	1.9
415.04584	1.3
526.08423	0.7
612.34491	0.8
613.30939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01871	3.9
57.03439	1.6
61.02925	2.8
62.21572	1.0
68.99793	2.6
69.03429	8.2
69.07086	1.0
70.06570	1.4
71.04995	2.4
71.46709	0.9
73.02910	2.5
81.03414	16.3
85.02905	24.1
87.00826	11.7
91.73854	0.8
93.07037	1.5
93.71045	0.8
95.04959	1.1
97.02891	14.7
97.06541	1.4
98.76643	0.8
99.04462	5.1
105.01864	7.6
105.02493	1.3
109.02869	16.5
113.56772	1.0
117.01842	0.9
127.03902	20.8
129.01875	1.6
132.77611	0.8
137.05998	1.7
145.04955	6.2
151.07590	1.8
159.02907	6.2
167.07068	2.8
173.05984	1.0
177.06886	1.4
181.04961	1.5
191.07397	0.9
203.04875	1.7
205.06499	5.2
209.05789	1.1
213.03967	1.3
215.01295	1.0
231.04861	4.1
233.05974	24.5
235.07547	1.2
237.05591	1.1
239.70599	0.9
249.05510	1.5
261.05466	44.2
262.05811	1.6
263.07013	11.2
277.05014	2.1
279.06418	4.4
289.04926	43.2
290.05490	1.1
291.06546	13.2
293.04489	2.6
305.04343	1.0
307.06003	54.7
308.06378	2.0
317.04416	19.6
319.06039	15.7
321.07526	16.6
335.05478	95.0
336.05844	3.2
347.05484	85.4
348.05963	2.7
365.06549	100.0
366.06827	2.8
387.14478	1.0
568.32532	1.2
612.30646	2.6
613.11469	3.9
613.19476	2.7
613.31720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2656
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.38281	0.3
67.05510	0.3
69.34116	1.3
74.88690	0.3
79.05479	0.5
81.07039	0.4
91.05498	0.5
92.05800	0.3
95.04910	0.3
95.08636	0.3
105.07042	0.4
109.06516	1.2
109.10082	0.3
117.07021	0.3
119.08612	0.3
135.11650	0.3
144.08043	0.4
163.02995	0.3
174.09117	0.4
191.99458	0.2
199.08592	0.4
201.78653	0.3
204.06654	0.3
249.10281	0.5
277.09595	0.3
290.12900	0.6
292.14789	0.3
300.11819	0.3
336.33066	0.3
341.14627	0.3
349.15622	0.3
352.17749	0.3
353.17685	1.0
354.15732	0.4
365.14209	0.4
366.14841	1.1
367.15512	1.0
367.19479	1.4
368.20264	0.3
369.16748	0.4
378.15347	0.4
379.15363	0.5
379.82019	0.3
380.16440	0.9
381.16861	2.2
381.21259	0.3
382.18256	0.4
393.17200	0.6
394.17880	0.9
395.14383	0.5
395.18713	3.5
395.22870	0.4
396.19492	3.6
397.20325	1.1
407.19028	0.4
408.19888	0.4
409.16541	1.7
409.20419	1.4
410.21109	1.0
411.21835	2.3
423.17697	2.8
423.22855	0.6
424.18701	2.8
425.19690	1.1
436.14996	0.4
437.16086	2.0
437.20493	0.8
438.20911	2.3
439.21298	5.7
440.21686	0.5
449.19550	1.6
451.16898	4.6
452.17548	1.8
453.19125	0.9
455.20642	0.5
465.18198	1.6
466.19809	3.9
467.20682	3.3
468.21561	0.3
479.20828	2.9
480.21524	0.6
482.23199	1.2
483.24420	1.3
493.22263	1.8
495.19968	0.6
497.17996	0.5
497.25644	1.3
498.22125	0.4
510.22708	1.5
511.19910	0.8
512.24109	0.6
513.25250	0.5
521.21783	0.5
524.20465	0.3
525.25049	10.0
526.25208	0.4
535.23273	0.9
536.24060	0.7
538.21942	2.0
539.22961	1.0
552.19818	0.5
553.24420	18.4
554.24432	1.2
566.21393	0.5
581.23999	1.0
584.22736	0.5
585.26746	0.4
595.26270	0.3
598.23859	0.4
613.26495	100.0
614.26770	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58360	1.0
59.16446	0.9
61.16239	1.0
69.71398	2.9
79.01620	0.9
81.07049	1.3
86.09673	1.3
93.07058	1.4
93.48802	0.8
95.05008	1.1
98.22781	1.0
117.36363	1.0
120.08121	1.1
144.08194	0.9
176.14432	1.5
181.80098	1.0
202.15843	6.1
203.16267	2.6
209.10773	1.2
213.10367	1.0
220.16933	6.5
221.17403	2.0
224.13150	1.4
235.12399	1.9
237.14030	1.4
247.12393	1.2
251.15399	1.0
265.12082	1.1
276.15118	1.4
292.12064	1.0
300.13788	4.1
301.14197	1.3
303.13522	1.0
318.16000	1.8
338.16672	1.2
339.16446	1.9
340.18073	2.1
352.17758	1.2
353.17752	4.8
354.18475	2.2
363.16736	1.2
364.17560	1.2
365.18179	1.8
366.19437	2.7
367.19449	4.5
368.20615	1.9
379.19318	3.4
381.17068	3.3
381.21213	2.4
382.17892	1.9
383.18295	1.3
383.22540	3.4
393.16666	1.1
393.21121	1.8
395.18619	3.2
395.22797	1.6
396.19385	2.1
397.20297	3.9
407.18671	1.5
409.20493	5.3
410.21628	2.3
411.22214	7.5
412.22766	2.7
421.20251	2.2
422.21179	3.1
423.22348	5.6
424.18414	1.6
424.23404	1.9
425.19641	9.8
426.20767	1.2
435.22269	1.4
436.22556	1.8
437.18658	1.3
437.23422	4.1
438.20752	4.2
439.21011	7.1
440.22205	6.8
441.18311	1.1
441.23727	1.4
453.22781	4.2
454.23486	1.6
455.19821	1.3
455.25006	1.8
456.21576	2.5
467.25327	1.5
469.22952	4.9
477.23251	1.2
481.22437	3.6
483.24774	11.6
484.24884	8.0
485.24753	1.2
495.23730	3.6
496.24997	2.5
497.21692	7.2
498.22751	1.5
509.25302	1.8
511.23727	4.0
512.24304	5.5
526.25690	1.1
527.26532	15.4
537.25177	1.4
542.21722	2.5
543.26196	1.2
553.24078	1.2
569.27527	16.5
570.24567	11.1
571.25543	100.0
572.25708	6.9
585.26660	1.1
613.26593	97.5
614.26642	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	34.3
67.05514	0.9
67.99135	0.8
71.95221	0.9
72.96037	0.8
79.05512	0.8
81.07053	1.8
83.08587	0.8
84.96027	4.2
91.05437	0.9
92.18111	0.8
93.07043	1.3
95.04945	0.8
95.08607	1.1
97.96803	1.4
98.23264	0.9
98.97585	80.4
105.00162	0.9
107.08563	0.9
110.97542	5.3
112.99134	29.0
116.98624	32.5
119.08603	0.9
121.10159	1.1
124.99111	2.0
128.98605	5.4
131.00171	44.5
134.99667	7.9
140.00208	4.3
140.98589	2.7
142.38351	0.8
143.00148	8.3
146.99631	3.2
149.01219	28.7
152.00172	1.5
152.98587	1.5
154.01727	4.7
157.01756	1.0
158.01270	1.3
158.98599	0.7
158.99658	35.8
161.01237	8.1
167.02289	5.3
170.99655	5.5
172.02852	2.6
173.01196	8.2
175.02754	2.4
177.00714	37.5
179.02354	1.5
182.15755	0.8
185.01216	5.2
185.04895	1.1
187.02643	0.9
189.00716	3.8
191.02286	7.2
195.01816	3.3
197.01140	1.0
199.02771	9.8
200.02324	6.4
201.00716	1.4
203.02303	5.3
204.06717	0.9
207.01854	0.9
209.01178	3.1
212.02515	0.8
215.02272	3.3
217.03882	6.4
217.07413	1.2
219.01772	9.2
227.02296	3.3
233.03310	3.1
237.02858	7.0
240.05309	1.2
242.03157	0.8
255.03734	1.3
258.11551	0.8
260.04483	1.7
275.04370	17.2
291.03955	1.4
293.05432	48.7
309.04883	1.7
311.06470	11.6
316.07022	7.9
317.17868	100.0
318.18271	2.4
334.08096	4.0
335.18930	28.7
336.19403	1.0
337.27451	2.3
358.20490	11.6
359.18784	1.2
373.20468	1.3
377.20016	9.2
391.21747	3.8
392.21127	1.1
403.21436	2.4
407.01208	0.8
429.18088	0.8
497.24142	8.0
535.25482	1.5
553.26868	94.1
554.27405	5.9
590.43207	0.9
613.37915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41345	0.3
57.03428	1.0
61.02930	0.8
69.03422	1.7
70.06593	1.1
71.04986	0.5
81.03409	1.2
81.07047	0.8
85.02901	5.3
86.09695	0.6
87.04433	0.4
91.03959	0.4
91.05476	3.9
93.07050	0.7
95.08591	0.6
97.02885	2.0
97.71543	0.4
103.05473	0.9
105.07012	0.5
109.02857	0.6
115.03962	0.6
115.05448	2.1
116.06239	1.3
117.07018	3.5
119.08622	0.6
121.06499	0.6
127.03883	1.3
128.06206	1.5
129.07001	6.0
131.04921	1.3
131.08566	9.9
133.06487	0.5
133.10121	0.5
137.05978	0.4
141.06978	2.5
144.05688	6.2
144.06717	0.6
145.05005	0.8
145.06477	7.1
147.04419	0.7
147.08081	0.7
149.13287	0.4
155.04918	0.5
155.06056	1.2
156.05701	1.1
157.06476	7.7
158.07199	0.7
159.04362	0.6
159.08051	13.5
161.06009	1.9
162.07587	0.7
167.06923	0.4
169.06349	0.5
169.07668	2.1
172.05205	1.5
173.05977	8.7
174.06743	1.8
175.03876	0.4
175.07545	1.5
177.05421	0.8
180.08669	2.1
185.05977	7.4
186.06714	0.7
187.07547	5.9
189.05388	1.9
190.06198	1.1
191.07030	2.4
199.03786	0.5
201.05334	0.7
201.16289	0.4
202.06233	1.8
203.07010	7.9
204.07805	12.3
205.08575	0.6
209.08099	1.7
213.05318	2.0
217.08592	9.1
218.05695	0.7
219.10178	1.3
230.05707	1.0
231.06549	5.5
233.08116	4.3
235.05988	5.4
237.18504	0.6
245.08107	2.8
248.06857	1.4
263.09134	100.0
264.09488	2.0
281.10184	22.6
282.10577	0.6
303.04370	0.5
304.04694	0.5
317.06573	1.8
318.06934	4.2
319.06989	3.8
320.07465	2.6
330.94943	0.4
342.14719	0.4
369.91537	0.4
442.75293	0.4
571.52252	0.5
613.33820	0.6
614.34454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3175
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
56.05024	0.7
57.05812	1.1
58.06596	6.0
59.06914	0.1
69.14479	0.4
70.06593	0.5
71.07360	0.9
72.08150	12.7
73.08498	0.1
84.08125	0.1
92.54475	0.1
109.55038	0.1
114.12796	100.0
115.12368	0.1
115.13126	1.6
120.08108	0.3
133.56766	0.1
146.06056	0.1
175.62843	0.1
179.15105	0.1
208.95691	0.1
214.12352	0.1
237.27202	0.1
261.19864	0.1
284.40149	0.1
300.45792	0.1
492.44598	0.1
570.25800	0.4
615.31726	2.2
616.32281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3177
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
55.72323	0.1
56.05025	0.2
70.70889	0.1
70.71215	0.1
79.05489	0.3
91.05474	1.1
95.04971	0.1
103.05445	0.3
104.06243	0.4
105.07033	3.1
114.12798	0.7
117.07007	0.1
118.06567	0.1
119.80773	0.1
120.08087	0.9
123.59761	0.1
130.06459	0.1
131.07318	0.1
132.08109	1.0
133.08870	10.1
134.09285	0.2
144.08052	0.2
146.09639	0.2
147.10454	0.2
148.11206	100.0
149.11568	2.8
160.56699	0.1
170.08522	0.1
195.68759	0.1
322.94626	0.1
468.20612	0.2
493.40222	0.1
495.65881	0.1
570.25854	1.2
615.31689	2.2
616.32404	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01876	2.5
57.03440	1.5
61.02939	1.2
67.05496	6.9
69.03423	6.3
73.02914	3.0
79.05482	7.8
81.03403	10.3
85.02907	13.9
85.06541	1.8
91.05463	4.4
95.04958	4.7
97.02876	7.9
98.22665	2.6
105.07010	2.2
107.04955	19.5
109.10165	8.7
115.03943	2.3
115.05444	4.0
117.06997	7.1
123.04425	3.3
124.05193	3.3
127.03869	3.4
127.11198	6.3
128.06200	3.0
129.06996	5.1
131.08586	5.3
133.06482	2.2
137.05983	2.8
141.07036	2.1
144.05685	5.7
145.04984	3.6
145.06487	14.1
149.03798	1.2
152.04726	2.9
155.06023	1.9
155.07143	1.6
156.05637	7.1
157.06493	3.5
159.08040	11.1
161.04565	1.7
161.05974	4.6
162.07619	3.0
167.07027	62.8
168.07373	1.7
169.06448	1.6
170.07324	1.8
172.05188	2.2
173.05977	20.8
175.07562	2.6
177.05557	2.0
180.08679	4.6
181.04919	2.8
183.06491	2.0
184.05208	2.4
186.06705	1.7
187.07542	8.2
190.06259	11.7
191.06917	2.7
193.08492	2.2
202.06223	3.9
205.08569	31.4
205.10387	2.1
207.06500	2.2
207.10204	2.0
208.05170	3.6
208.08884	1.8
210.06679	1.6
211.07536	2.0
214.06366	1.7
215.06883	1.5
217.08565	29.7
217.10486	2.2
218.07265	2.2
219.08055	6.4
219.10109	5.3
220.08807	3.2
221.05971	3.4
229.08511	4.3
231.08073	3.0
231.10187	2.8
232.08882	2.0
233.09639	1.9
235.09464	8.9
236.08382	2.0
245.09554	1.6
247.07439	4.6
247.09691	14.6
248.08244	6.6
249.05426	1.6
249.09140	2.3
254.05717	2.1
258.06641	1.7
259.07666	2.8
261.08984	3.2
262.06302	1.6
262.09872	3.2
263.10641	6.1
264.07916	6.8
265.08691	2.0
265.10825	13.1
267.06506	1.8
269.08063	6.0
271.09561	3.7
275.07004	3.2
276.07806	3.7
277.08548	3.6
278.09213	1.9
279.10074	8.0
282.08923	5.0
285.07611	1.5
287.09286	1.6
289.08759	2.2
290.09460	4.1
291.10114	9.5
292.07526	2.4
293.08029	7.7
299.09128	2.4
301.07108	1.8
301.25784	1.3
307.09518	8.4
308.10306	4.8
310.08484	1.7
315.08615	22.7
316.08578	1.5
318.58801	1.5
319.09625	4.5
321.07352	2.3
323.09250	1.8
323.12744	5.3
328.09314	2.2
330.10916	49.1
331.11569	9.6
336.09848	3.9
337.10684	5.6
339.12094	6.2
343.11789	6.2
351.12183	16.1
352.13007	2.2
353.10272	4.1
354.10764	1.4
356.12564	1.4
368.12561	7.3
369.13354	8.7
370.14053	2.0
371.14890	8.4
373.16388	2.9
383.14856	100.0
384.15112	6.0
401.15909	63.6
402.16339	2.6
455.62585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21104	0.5
55.01876	2.2
55.86265	0.6
62.86496	0.7
65.03934	2.7
67.05483	1.2
69.03410	1.3
69.07029	0.6
70.06599	4.1
71.04990	1.3
72.08137	1.8
75.04460	2.8
77.86012	0.6
78.04704	2.4
79.05481	2.3
81.03395	1.0
81.07047	0.9
84.08141	0.9
85.02902	6.9
86.09702	4.1
89.03909	1.5
89.06017	0.7
91.05480	11.7
91.71272	0.6
93.03403	11.0
93.07034	5.5
95.04970	5.9
97.02867	1.6
97.06510	2.6
98.97610	0.6
103.05466	7.1
104.94170	0.6
105.03379	0.8
105.04503	1.1
105.07025	11.5
106.04172	22.2
107.04939	2.0
107.36967	0.6
109.06490	1.4
111.04466	1.0
115.05441	2.4
118.04148	1.7
119.04938	1.3
121.06500	27.1
123.04404	0.7
125.06001	6.8
127.03889	1.5
129.10217	2.0
131.04906	3.9
133.06479	10.9
134.03642	4.2
135.08035	0.9
136.06161	1.2
137.05995	4.6
138.06734	1.1
139.07520	1.9
143.06117	0.7
145.02841	2.0
145.04893	1.1
147.04408	1.1
148.05190	2.6
149.05977	42.2
151.07494	1.7
153.05473	1.4
153.09122	10.4
161.05975	19.9
162.06476	0.7
162.07642	3.1
163.07596	3.9
166.06256	1.2
167.07024	2.5
177.05464	18.2
178.05898	1.2
181.08595	19.5
182.08704	0.6
191.07024	11.6
193.08594	31.5
196.68178	0.7
209.08078	100.0
210.08443	2.3
279.10400	0.7
353.13745	1.4
369.13248	1.1
371.14789	1.1
387.14536	1.5
401.16031	1.0
454.17358	1.0
454.22897	1.1
557.39752	0.6
616.23267	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
55.01857	1.8
61.02925	0.6
65.03918	2.0
69.03429	0.9
69.17612	3.2
70.06587	0.6
75.04485	3.3
77.03924	1.2
78.04690	2.7
79.05489	2.7
81.03428	0.5
85.02899	3.9
86.09709	0.8
89.03910	1.3
89.05979	0.7
91.05476	11.1
93.03398	10.8
93.07034	4.4
95.04965	4.8
97.02872	0.8
97.06496	2.2
103.05455	6.9
105.03414	1.0
105.04517	1.5
105.07024	8.4
106.04170	21.5
107.04927	2.1
108.14408	0.5
110.08944	0.5
113.50555	0.5
115.05444	2.0
117.03390	0.7
118.04164	1.5
119.04939	0.8
120.49281	0.6
121.06501	24.8
123.04441	0.9
123.08073	0.8
125.05984	6.1
127.03912	0.7
129.30724	0.5
131.04924	2.9
131.06059	0.5
133.06488	8.7
134.03625	3.5
135.04416	1.4
137.05965	3.1
138.06795	1.0
139.07494	2.1
143.06021	0.9
145.02855	0.8
145.04991	0.7
145.06476	1.0
147.04378	0.7
148.05168	3.0
149.05972	41.2
150.06393	0.7
151.03911	0.7
151.07530	1.9
153.05438	1.3
153.09100	11.5
154.09492	0.6
159.08183	0.6
161.05965	19.0
161.07338	0.9
162.07649	0.6
163.03908	1.7
163.07523	3.7
165.05618	0.6
166.06219	1.2
167.07002	4.6
173.06009	1.1
177.05463	18.4
178.05843	0.6
181.08585	18.5
190.06259	0.6
191.07021	19.6
192.07373	0.7
193.08586	24.0
205.08513	1.7
209.08078	100.0
210.08455	1.7
217.08566	1.1
247.09724	0.6
268.35849	0.6
293.37119	0.7
302.03784	0.5
330.11105	1.2
361.05823	0.5
369.13519	0.8
371.14319	0.8
383.14862	1.7
387.14340	1.8
391.17471	0.9
401.15991	1.7
419.17221	0.7
555.02319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
50.12280	0.2
51.02383	0.5
51.84115	0.2
53.03944	1.8
55.01867	2.3
57.03435	1.3
61.02931	1.3
63.02359	0.4
68.99778	1.1
69.03425	8.8
71.01365	0.2
71.04986	1.0
73.02915	2.0
77.03953	0.2
79.05476	0.4
81.03414	10.7
81.07034	0.3
83.01339	0.2
85.02902	13.3
87.00826	7.9
87.01244	0.2
87.01370	0.3
88.31844	0.2
91.03957	0.6
91.05482	1.8
93.07037	0.3
95.01332	1.8
95.04959	0.2
97.02888	6.8
99.04446	3.2
103.03957	0.3
103.05480	2.3
105.01863	4.1
105.07042	0.8
109.02878	8.7
114.12796	0.6
114.89151	0.2
115.03944	0.7
115.05450	18.0
117.01847	1.2
117.07014	49.9
118.07347	0.6
125.02335	2.5
127.03912	11.1
127.05443	0.9
128.06216	17.3
129.01848	1.3
129.06996	100.0
130.07306	1.7
131.04919	5.7
133.06479	1.9
133.08878	0.5
135.04408	7.0
142.04161	0.6
143.04919	13.1
143.05907	0.5
145.04979	3.2
145.06473	20.2
146.06798	0.2
147.02928	0.5
147.04353	0.3
148.11198	3.9
149.02301	0.3
149.05957	0.3
149.11574	1.7
151.03928	0.3
154.49544	0.2
155.04886	3.0
155.06042	4.8
157.06479	39.4
158.03627	0.2
158.06833	0.6
159.02893	4.0
159.04404	8.3
161.04637	0.1
161.05971	5.3
171.04376	15.9
171.05545	1.3
172.05000	0.7
173.05974	21.2
174.06474	0.3
175.03932	0.3
175.07581	0.5
183.04327	1.1
184.07622	0.3
185.05975	8.6
186.06532	0.3
187.02306	0.4
187.03911	4.4
187.07520	2.2
188.04678	0.6
189.05476	2.7
191.06952	0.4
199.03873	9.9
200.04590	0.5
201.05455	82.9
202.05756	1.6
203.03398	2.0
203.06998	0.7
205.04918	0.2
213.03883	0.6
213.05478	0.8
217.04927	4.9
219.06404	2.0
227.07033	0.2
229.04955	12.1
230.05214	0.3
231.06529	55.4
231.26456	0.2
232.06805	0.9
242.08092	0.7
245.06419	0.3
247.05997	54.8
248.06386	1.1
262.45624	0.2
275.07050	0.7
277.08572	0.3
289.05188	0.6
315.04846	0.3
336.45319	0.2
351.28751	0.2
573.36169	0.4
617.21509	0.2
617.25342	0.3
617.35144	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63110	0.6
55.05507	0.6
56.73111	0.6
56.96567	18.9
64.11998	0.6
67.05500	1.8
69.07098	0.8
70.71960	0.6
71.46957	0.9
74.97610	0.6
79.05493	0.9
81.07053	2.1
84.96038	17.7
90.76176	0.6
91.05476	1.4
93.07039	2.2
95.08605	1.4
97.04243	0.6
97.06528	0.7
98.18268	0.6
98.97591	16.2
98.98244	0.8
101.93551	0.6
102.97085	2.0
104.10753	2.3
105.07041	2.1
107.08590	1.2
109.10192	1.0
110.97598	2.7
112.99120	1.6
116.98633	7.5
117.07014	0.9
119.08583	1.6
121.10146	1.6
123.08089	1.5
124.10545	0.6
124.99116	5.4
126.97043	0.8
128.98608	3.5
131.00198	2.0
131.08559	1.2
133.10176	1.1
134.99690	2.0
135.08055	0.8
139.00745	0.8
140.98547	3.0
143.00168	14.7
143.08568	1.2
144.98093	5.3
145.10071	1.6
146.99675	2.3
147.11728	0.6
149.01221	2.4
154.93282	0.8
155.00180	1.8
157.01755	1.1
158.99661	2.9
161.01221	10.9
162.99165	4.6
163.11160	1.2
165.09113	0.9
166.01784	1.0
167.02205	0.8
167.10794	0.8
170.01152	0.7
171.11780	1.1
172.94258	1.1
173.01260	2.9
175.02795	0.7
177.00711	0.9
179.02316	2.1
180.94814	2.2
181.12210	1.1
182.99655	6.5
183.11507	0.8
184.02974	1.0
185.01390	0.9
190.95383	1.2
191.02332	1.0
197.13194	0.7
198.95763	3.8
201.00742	9.6
203.02429	1.0
208.30617	0.7
216.96980	0.8
219.01793	2.2
221.15424	2.5
222.95862	0.8
224.02345	0.9
224.97437	1.6
228.96915	1.2
240.96945	3.1
242.98485	2.3
246.96094	2.4
258.98047	0.8
264.96872	8.7
282.97961	18.0
287.98431	0.9
300.98969	9.8
305.99509	1.8
317.17874	23.6
317.21564	1.4
318.18579	0.9
324.00821	0.8
335.18930	8.1
357.02109	2.4
358.20560	1.6
359.28268	0.7
375.02911	0.9
391.22205	4.9
557.21002	1.3
599.22607	3.0
599.40430	0.9
616.41248	1.3
617.23004	100.0
617.40515	2.6
618.23389	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82692	0.7
55.05511	8.0
57.03428	5.9
65.03941	0.9
67.05502	26.3
69.07071	6.9
79.05491	16.3
81.07055	22.5
81.07504	1.5
83.05002	1.0
83.08618	2.6
91.05477	9.0
93.07040	18.3
95.04983	2.0
95.08603	18.8
97.06543	1.4
97.10211	1.0
98.23568	1.4
104.88458	0.8
105.04526	1.0
105.07024	5.8
107.08594	8.3
109.06544	1.2
109.10151	5.4
117.07006	1.7
119.08572	6.2
120.96641	3.8
121.10151	6.4
123.08083	1.8
123.11710	1.2
131.08609	3.1
133.10179	4.1
133.11075	0.9
135.11729	1.6
145.10162	3.7
147.11699	0.8
157.10081	0.9
159.11681	1.7
161.13304	1.3
163.11139	1.3
170.13905	0.8
171.11765	1.1
173.13284	1.7
176.99245	8.7
183.11664	0.9
185.04279	1.3
195.00328	2.9
203.05223	8.7
213.00082	1.3
221.15387	1.1
224.15462	1.0
229.76131	0.9
233.15283	1.0
238.13356	0.8
246.59776	0.8
258.28900	1.0
265.00739	10.5
283.01871	93.6
301.01724	1.1
324.04599	2.1
335.25784	20.5
357.05530	2.9
357.23679	1.1
375.24765	4.1
437.20615	29.0
438.20889	1.2
455.21844	3.0
599.25641	5.0
616.42456	1.0
617.26892	100.0
618.27234	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05521	4.2
56.96578	1.1
57.03440	1.9
64.84508	0.5
67.05505	14.8
69.07063	3.9
69.66707	1.4
69.67097	0.8
79.05497	10.0
81.07060	12.5
83.04994	1.0
83.08619	1.5
91.05482	5.7
93.07043	11.4
93.07594	0.7
95.04988	2.4
95.08614	10.5
97.06555	1.2
97.10201	0.7
105.07023	5.0
107.08591	5.5
109.06525	1.0
109.10170	3.5
116.98654	0.6
117.07059	1.3
119.08556	3.1
120.96619	3.3
121.10160	4.3
123.11729	1.2
131.08611	2.2
133.10132	2.8
135.11714	1.4
143.00217	0.7
145.10167	1.5
147.11725	1.6
149.13300	1.2
157.10234	0.7
159.11687	0.7
161.01216	0.6
161.13301	1.3
165.09398	0.6
167.10744	0.8
169.10132	0.6
173.13252	1.0
176.99216	8.1
195.00298	3.6
203.05276	6.5
203.14413	0.6
213.00089	0.6
221.15405	1.0
265.00845	11.4
283.01889	29.9
301.01923	1.6
306.03558	0.6
317.18137	0.8
335.25797	8.2
357.05627	0.9
375.25037	5.3
391.22729	0.8
437.20642	37.1
438.21292	1.5
455.21725	4.7
599.26367	4.4
617.27014	100.0
618.27216	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.2
58.06603	57.5
59.05004	12.8
59.99124	0.8
65.03940	0.8
67.05501	3.1
67.14320	0.8
69.07075	0.7
69.16336	1.2
69.16747	3.7
70.06594	2.2
71.03749	0.9
72.08160	1.0
74.02442	1.8
79.05479	0.7
84.04500	0.9
84.08162	1.5
84.22595	0.7
85.06558	1.4
86.09708	2.0
88.03993	6.5
88.29705	0.8
91.05484	16.9
93.07030	1.8
95.04985	2.9
98.09695	40.2
100.11227	0.9
103.05472	9.0
105.03406	1.6
105.07006	1.5
106.06544	1.6
108.04496	0.8
115.05466	1.3
116.10732	24.1
117.05789	1.4
118.06548	16.4
119.04977	1.6
119.07336	1.7
120.08110	100.0
121.08443	1.6
123.04437	1.0
128.04922	1.0
129.07014	1.1
130.06548	5.2
131.04945	2.9
132.08116	1.0
134.09665	2.9
136.07565	8.8
137.06056	1.1
144.08054	0.8
144.10202	1.2
146.06012	49.9
147.04362	0.9
147.06398	1.8
147.11395	0.8
153.10237	2.0
159.09309	0.9
160.11266	1.2
161.10759	15.5
162.05560	3.1
165.05487	2.2
167.07039	0.8
167.08496	1.3
169.10118	4.2
171.11446	0.9
175.08708	2.6
179.08621	2.5
181.10098	2.1
182.08202	2.3
183.07925	0.8
187.08676	15.3
189.08675	1.3
189.10248	2.9
197.09644	1.7
200.14345	1.2
203.10637	1.1
206.09612	1.7
208.11235	7.0
209.09624	1.6
214.12256	1.5
215.08153	6.7
218.15366	1.1
222.12682	1.3
224.10695	1.4
228.10310	3.8
233.09262	2.5
233.11739	8.6
234.12032	6.8
236.10695	1.9
242.11700	1.0
248.10883	0.9
253.08476	0.8
263.11774	1.0
265.08698	1.3
265.13373	5.6
270.11261	12.1
289.15546	1.1
293.12830	27.4
294.13315	1.8
299.14041	1.1
309.12366	3.4
329.14856	7.7
334.15457	6.1
339.13391	19.3
355.12689	5.9
362.14871	2.5
400.15390	2.5
417.18118	19.4
429.17905	1.0
474.20300	15.7
484.18582	2.6
502.19708	8.2
512.17975	2.2
530.19183	17.5
531.19373	1.1
543.22235	6.6
561.23163	1.3
568.23950	2.4
586.24963	1.8
599.28668	2.6
617.29645	14.4
618.30109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73372	0.7
53.03940	1.7
55.01873	8.8
55.05515	14.5
57.03440	8.5
65.03938	2.5
67.05504	31.0
67.05865	1.7
69.03416	3.1
69.07075	4.9
71.04980	2.1
77.03928	1.1
77.74255	0.7
79.05042	1.2
79.05496	23.1
81.03409	2.2
81.07057	33.8
82.07391	0.8
83.04976	5.0
83.08630	8.6
83.74575	0.7
85.02906	0.8
85.06538	5.1
91.04942	1.1
91.05482	20.5
93.07047	19.0
95.04972	33.7
95.08598	11.5
96.05265	0.7
97.06550	4.3
97.10176	7.8
103.05424	1.2
105.04507	1.9
105.07030	15.7
107.04965	8.4
107.08591	16.2
109.06520	38.1
109.10143	5.2
111.04421	1.7
111.08075	3.2
113.06016	10.3
115.05440	1.7
116.21301	0.9
117.07026	10.7
119.08584	18.0
121.06523	6.1
121.10146	7.4
123.08067	4.6
123.11691	1.2
124.08392	0.9
125.06014	0.8
125.09627	7.9
128.06219	2.7
129.06996	6.1
130.07796	0.8
131.08571	14.0
133.06451	3.6
133.10117	7.8
135.08057	26.4
135.11671	5.0
137.05968	1.0
137.09647	3.6
139.11197	1.1
141.06972	1.1
142.07794	2.3
143.08568	7.9
145.06459	2.2
145.10124	10.4
147.08035	9.2
147.09033	1.1
147.11687	3.1
149.09618	7.5
149.13281	1.7
151.07539	1.9
151.11153	0.8
152.68018	0.8
153.09099	2.8
153.12766	1.2
155.08540	2.2
156.09361	1.4
157.10135	6.1
158.10597	0.9
159.08049	2.4
159.11668	5.6
160.11317	1.2
161.09615	9.0
161.13239	0.8
163.11140	5.8
165.09106	4.0
167.08488	1.0
167.10699	3.6
169.10089	2.0
171.10419	0.9
171.11661	4.7
173.09624	1.3
173.13255	2.1
175.11171	3.4
177.12735	2.8
181.10173	1.5
181.12251	2.6
183.11684	2.4
185.09613	1.1
185.13281	3.0
187.11172	1.2
189.11212	4.8
189.12761	1.4
191.10678	2.1
195.11700	1.4
197.13245	1.5
199.11076	1.3
199.14909	1.9
201.12788	1.3
203.14348	1.4
207.09962	0.7
207.11781	1.1
207.13855	0.9
209.13309	0.8
211.14864	0.7
213.12791	1.3
217.15884	7.6
219.13617	0.9
221.13394	1.0
221.15320	3.2
223.13303	2.5
227.12733	1.2
227.17899	1.7
233.15288	1.5
237.16446	1.3
245.19077	2.8
249.14899	1.7
255.17422	3.1
257.27560	0.7
258.91656	0.7
273.18472	40.7
275.20084	1.1
277.11465	0.8
286.99057	3.9
291.19547	100.0
292.19788	3.4
309.20554	2.2
309.80157	0.7
330.28296	0.7
437.20499	6.5
451.32669	0.8
563.37201	0.9
581.38721	1.0
599.40625	1.5
617.24213	5.4
617.36279	2.3
617.41058	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	0.6
57.03433	0.5
60.72853	0.4
61.02905	0.6
61.97458	0.4
67.05486	0.7
69.03428	2.6
71.04993	0.5
73.02952	0.4
73.44917	0.4
79.05489	1.0
81.03433	3.2
81.07052	1.2
82.23431	0.4
85.02907	4.0
85.06540	0.9
87.00823	1.8
91.05482	2.1
93.07043	1.1
95.04951	0.6
95.08590	0.5
97.02889	1.4
97.06527	0.8
98.23563	0.7
99.04452	0.9
105.01862	1.1
105.07020	1.5
107.04981	0.4
107.08591	0.5
109.02875	1.7
109.10124	0.5
114.12846	0.7
115.38733	0.4
117.06991	0.6
119.08569	0.6
121.06496	0.7
121.10148	1.1
123.04502	0.5
127.03902	2.8
131.08583	0.7
133.06448	0.5
133.08894	2.1
133.10161	0.5
134.09221	0.9
137.05978	3.3
138.06305	1.2
145.04950	0.7
145.10127	0.9
147.11661	0.9
148.11212	19.2
149.09747	0.6
149.11580	12.3
150.11903	2.7
151.07567	0.6
152.04495	0.4
159.02901	0.9
167.07028	4.1
168.07410	1.3
173.05933	0.7
173.09650	1.6
175.11191	0.4
181.04860	0.4
185.06020	0.6
187.07552	0.7
193.08638	0.4
199.07431	0.4
201.09206	0.4
203.08524	0.5
213.05557	0.5
215.10745	0.7
218.07222	0.6
219.08128	1.2
219.10249	0.5
220.08704	0.5
231.05080	0.5
235.07568	1.7
236.08286	1.1
237.09148	0.6
237.24628	0.4
246.06667	0.8
247.07571	1.4
248.08308	2.2
250.06314	0.7
251.10675	1.6
260.08322	0.7
263.07101	1.8
263.10690	1.1
264.07794	2.6
265.08588	1.5
267.09970	0.6
267.13699	0.7
275.07025	17.8
276.07736	2.0
277.08405	2.1
278.09283	0.8
279.07095	0.7
279.10141	5.7
280.10565	0.6
291.06799	0.6
291.10101	1.6
292.07382	2.4
293.08142	2.8
293.11044	0.4
294.08817	0.5
303.06442	1.5
307.09662	13.6
308.09973	0.6
309.11176	8.2
309.14429	0.8
311.12781	0.7
317.21005	1.2
321.07574	0.7
323.12894	0.6
335.09128	24.9
336.09506	1.2
337.14410	0.7
341.13812	1.2
342.14200	1.4
353.10193	100.0
354.10519	3.3
355.15436	5.7
356.15604	0.6
360.15143	0.6
373.16614	1.3
397.15189	0.4
422.36826	0.4
568.06830	0.4
570.25482	0.4
617.32172	0.6
618.25543	1.6
646.21002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01876	1.9
55.05508	9.0
57.03437	2.9
57.07080	3.1
65.03944	1.9
67.05499	15.8
67.23039	1.2
69.03432	12.0
69.07065	4.3
69.59509	6.1
71.05001	2.7
77.03947	1.3
79.05495	20.1
81.03429	8.1
81.07056	91.4
83.04951	2.4
83.08629	3.3
85.02919	11.8
85.06506	1.8
91.05473	19.8
93.07040	26.2
93.42893	1.3
95.01331	21.1
95.04977	8.5
95.08018	3.3
95.08602	47.6
97.02887	31.3
97.06541	8.8
97.10187	4.4
98.23449	1.6
99.04434	1.7
103.05530	1.7
104.06254	1.3
105.01899	2.0
105.07029	47.4
107.08585	27.6
109.02900	2.7
109.06494	2.4
109.10147	19.2
113.02353	18.9
113.05984	1.7
116.29053	1.3
117.07019	4.1
119.08574	59.5
121.06496	4.1
121.10137	18.2
123.00797	27.1
123.04405	1.4
123.08068	4.2
123.11709	22.3
125.02364	13.9
127.03912	3.4
128.06230	2.0
129.07002	4.5
131.08539	11.2
133.06503	2.2
133.08960	2.9
133.10124	27.2
134.09198	1.8
134.10947	1.7
135.04448	1.5
135.08080	6.0
135.11690	18.4
137.05852	1.5
137.09637	1.6
141.01817	17.7
141.06937	1.9
142.07751	2.3
143.03407	11.5
143.08574	5.1
145.04993	3.5
145.10150	7.4
147.07988	2.5
147.11693	16.7
148.11194	28.0
149.09666	3.6
149.11565	27.1
149.13373	2.5
150.11899	5.6
153.05516	1.8
153.09106	6.0
157.10117	12.6
159.08083	3.5
159.11697	21.2
161.06004	2.5
161.09666	4.0
161.13248	47.1
161.14523	2.8
163.03900	5.0
163.11183	1.9
169.01292	12.8
169.06561	1.7
169.10107	2.2
171.08035	1.6
171.11626	2.3
173.02385	4.1
173.05927	1.6
173.09708	1.7
173.13266	3.2
175.07588	2.1
175.11191	3.2
179.08578	1.5
179.10570	2.5
181.10147	1.8
183.11726	1.4
185.05960	11.9
185.09749	2.1
187.02345	4.2
187.03854	2.3
187.07619	1.6
187.14828	3.8
189.16377	100.0
193.12228	1.8
197.09587	1.7
197.13248	2.0
199.03928	2.7
199.14827	5.8
211.11264	2.1
213.05496	2.4
215.14392	5.8
217.15843	25.3
217.17767	2.2
227.06810	1.8
229.04945	5.3
229.12163	1.4
233.11693	1.7
233.15408	5.3
235.16914	65.1
243.10094	1.7
267.13931	2.5
283.13409	3.0
283.16748	2.0
291.86084	1.7
295.16962	1.8
311.13116	2.5
311.16342	8.0
313.17725	2.7
329.17462	3.3
331.15341	2.0
335.22244	1.9
335.86194	1.9
337.13675	1.9
339.15857	5.8
353.10208	4.7
355.15363	23.2
356.15598	1.7
357.16895	12.4
367.15387	2.5
373.16367	6.5
375.17905	5.0
385.16425	2.3
403.17450	4.4
547.17932	1.8
618.25592	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
55.01875	3.2
55.05503	2.3
56.05035	2.4
57.03180	1.7
57.03443	19.6
58.80447	1.3
60.67071	1.4
61.02933	10.1
65.03951	1.7
67.05508	76.2
69.03432	26.9
69.07060	2.7
70.06595	6.4
70.68644	2.3
71.01358	2.5
71.05000	3.3
72.08167	1.6
73.02542	2.1
73.02926	32.2
79.05535	2.4
81.03428	6.7
81.07063	6.2
83.08630	6.4
84.08140	1.7
85.02914	100.0
85.06552	17.9
87.04481	4.7
91.03968	4.9
97.02905	45.6
97.78262	1.3
99.04466	5.2
103.03944	1.8
104.29057	1.4
109.02882	9.6
109.10165	95.3
110.07217	1.3
110.10459	1.7
115.03951	26.6
118.88083	1.6
119.08508	1.7
125.09659	1.9
127.03930	25.6
127.11205	78.5
129.10269	1.9
130.50024	1.2
131.08572	1.4
133.04977	7.8
145.04976	49.8
161.06076	1.9
163.06033	31.5
167.07066	1.8
177.53065	1.5
185.17151	1.4
193.08585	3.3
223.05939	2.6
241.07091	4.3
246.11592	1.7
249.11336	1.4
259.08115	7.8
259.15555	2.0
269.99286	1.4
289.09106	3.4
289.16483	3.1
295.10284	14.7
302.11707	2.0
307.17581	2.8
325.11346	19.6
341.06656	1.9
410.22607	1.7
425.42267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10494	0.3
55.05509	1.9
56.01115	0.2
56.05023	1.1
56.96566	3.8
57.03423	0.4
57.07078	0.3
58.06593	0.9
60.07873	0.4
60.08163	6.6
62.95601	0.3
67.05520	1.8
69.03445	0.4
69.07054	1.2
69.92284	0.4
69.92593	0.5
71.07378	3.4
72.08137	0.6
79.05476	1.5
81.07063	3.1
82.29243	0.3
83.04942	0.5
83.08618	1.5
83.15590	0.3
84.96019	0.5
86.09705	14.7
91.05475	1.7
93.07048	2.1
95.04960	0.8
95.08603	1.8
97.06535	0.8
97.10178	0.4
97.96772	0.5
98.22796	0.5
98.97523	0.3
102.92590	1.2
104.10741	100.0
105.07024	3.2
105.11069	1.3
107.08596	2.6
109.06538	0.4
109.10150	1.3
117.06980	0.8
118.92065	0.5
119.08593	1.9
121.06495	0.4
121.10128	1.7
123.08067	0.7
123.11661	0.4
125.00026	0.4
125.06011	0.3
125.09592	0.5
128.06242	0.5
129.07027	0.4
131.08575	1.3
133.10143	1.1
135.08093	0.6
135.11777	0.4
136.93106	1.6
139.11148	0.4
142.07788	0.7
143.08569	1.1
145.10085	1.6
147.08049	0.4
147.11694	0.8
149.09608	0.3
154.94167	2.8
155.08578	0.4
156.09355	0.5
157.10135	1.6
159.08080	0.4
159.11723	0.5
161.01216	0.4
161.09692	0.3
162.94704	0.8
163.11165	0.4
167.10660	0.7
167.13904	0.3
169.10115	0.7
171.11632	1.0
172.95229	3.1
173.09691	0.4
173.13333	0.4
175.11195	0.4
176.99248	0.5
177.95789	0.4
180.95746	4.8
181.10013	0.4
181.12302	0.6
183.11813	0.5
185.13348	0.7
190.96330	1.1
192.95644	0.3
197.13300	1.1
198.96793	13.2
199.11325	0.4
203.05331	0.6
203.14375	0.4
203.97354	0.3
209.13319	0.6
210.14200	0.3
210.96857	1.0
215.14345	0.4
216.97861	6.7
216.99892	0.5
221.15489	0.9
221.98444	1.0
223.14865	0.5
228.97824	1.4
233.15457	0.8
237.16328	0.4
239.99422	0.5
240.09952	0.4
254.99373	0.7
255.17468	0.6
258.04144	0.5
265.00980	0.7
282.01160	0.3
282.04153	0.6
283.01871	3.4
287.19894	0.5
300.05237	0.5
314.07098	0.4
318.18692	0.3
319.19431	8.7
320.19916	0.4
337.20502	11.8
337.27426	0.9
360.21964	1.8
406.51202	0.4
439.23047	1.8
443.18735	0.7
455.18875	0.7
473.19724	3.6
499.21353	3.7
502.26035	6.3
502.32761	0.6
503.26074	0.4
552.89709	0.4
558.28754	13.0
559.29340	0.5
618.23145	1.0
618.31067	11.0
618.41431	0.9
619.28748	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05515	3.7
57.03434	5.3
58.06598	18.3
61.57283	1.0
65.07454	1.1
67.05499	7.7
69.03430	2.9
69.07083	2.1
69.77232	3.9
71.04971	2.0
72.08144	1.8
79.05491	8.7
80.37088	1.1
81.03423	1.9
81.07058	15.4
83.08641	1.5
83.58430	1.2
85.02911	1.4
85.06522	1.5
86.06075	1.2
86.09710	1.9
91.05458	6.7
93.07066	6.1
95.04983	3.0
95.06585	1.2
95.08617	3.6
97.02858	1.8
105.07037	5.5
107.04960	2.3
107.08601	6.0
109.06519	19.8
109.10169	3.3
117.07037	3.7
119.08568	5.8
121.06493	1.5
121.10152	1.6
123.08056	1.3
129.06998	1.7
131.08566	5.2
133.10133	3.0
135.08064	14.5
135.11728	1.6
143.08527	3.1
145.10168	4.1
147.08087	1.6
147.11700	3.6
149.09573	1.9
154.50488	1.1
157.10193	3.0
161.09647	3.9
177.12787	1.4
181.13388	1.2
182.13739	1.3
203.18028	4.1
217.15919	4.0
219.08096	1.8
219.83095	1.2
223.07469	1.7
245.18942	1.2
247.07423	1.4
247.11182	1.6
251.07063	5.9
253.08612	2.2
263.07162	1.5
264.07944	3.5
273.18658	4.7
275.10645	7.8
279.10141	11.5
281.08118	5.0
283.09766	2.1
291.06494	3.4
291.19498	12.2
293.08237	6.5
303.10037	6.7
305.93973	1.4
306.08890	4.7
307.13364	2.9
320.10345	1.7
322.21304	1.4
335.12808	10.7
396.70139	1.2
417.53946	1.4
431.18631	2.0
555.27228	6.8
573.28278	17.7
618.34198	100.0
619.34662	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.9
55.05518	40.0
57.07061	6.1
67.05507	47.3
69.07062	19.5
69.30372	23.4
74.40184	5.2
79.05503	45.5
81.03426	16.2
81.07065	65.3
82.20618	4.5
83.04984	18.4
83.08612	45.5
87.04473	31.1
91.05482	45.2
93.07047	44.4
95.04939	36.1
95.08607	36.8
97.06544	10.1
97.10107	6.3
105.07045	51.9
107.04951	27.8
107.08598	32.0
109.06524	13.1
109.10172	36.3
111.08083	8.3
112.41003	5.5
116.62699	6.2
117.07016	16.3
119.08573	32.2
121.10149	20.9
123.08074	9.2
123.11700	7.2
131.08611	26.7
133.06497	9.2
133.10146	51.2
135.08041	13.1
135.11667	15.3
143.08586	12.1
145.10133	24.8
147.08015	9.8
147.11699	15.8
149.09624	26.3
151.11197	24.7
157.10115	7.5
159.11699	17.2
161.09631	7.0
161.13225	7.0
163.11174	34.6
165.12767	9.7
169.12294	10.0
171.11682	7.2
189.11290	8.0
197.13329	4.9
202.44476	6.0
204.99408	5.7
223.13345	20.9
239.18013	10.4
243.78580	5.5
249.14876	6.5
252.59477	5.8
257.19095	11.1
273.18475	25.5
275.20093	100.0
291.19568	24.8
293.21085	75.7
387.67224	5.8
395.42288	4.9
401.92923	6.0
505.86542	5.9
520.96301	5.7
583.39587	6.7
618.40656	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01883	4.9
55.05515	25.7
57.07060	2.5
61.87822	1.6
66.20154	1.9
67.05511	28.0
68.09181	1.7
69.03429	2.8
69.07077	14.7
69.29245	10.5
69.97380	1.8
71.04988	2.7
74.55137	2.2
79.05508	19.4
81.03424	6.7
81.06628	2.4
81.07068	34.1
83.04987	6.2
83.08623	20.4
85.06533	2.2
87.04477	11.9
91.05486	26.8
93.07047	23.3
95.04972	23.8
95.08612	13.1
97.06528	6.2
97.10169	7.4
105.07032	19.5
107.04955	10.5
107.08609	16.3
109.06515	8.1
109.10169	7.2
111.08069	5.6
117.07011	10.8
119.04928	2.5
119.08579	22.7
121.06516	4.2
121.10135	10.5
123.08071	4.0
125.09592	5.0
129.07016	6.1
131.08565	12.9
133.10143	15.1
135.08066	5.5
135.11684	6.2
137.09599	3.3
143.08568	4.3
145.06561	2.8
145.10139	17.3
147.08063	6.4
147.11676	8.1
149.09602	15.7
151.11174	4.7
155.08574	3.3
157.10190	3.2
159.11722	12.4
161.09602	3.5
163.11191	25.4
165.09103	3.8
165.12692	4.5
169.10129	4.5
171.11739	3.6
173.09601	3.2
173.13313	3.6
175.11209	4.3
183.11688	2.7
189.11220	7.5
193.12236	1.8
197.13171	2.8
201.12686	2.1
205.12137	3.1
223.13297	25.3
239.18040	5.6
249.15102	2.1
257.19016	9.4
273.18631	12.5
275.20096	80.3
276.20450	3.7
291.19562	100.0
292.19937	4.1
293.21136	54.5
383.02527	2.3
565.39325	2.4
583.39661	6.1
613.49072	2.1
618.40973	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01869	9.4
55.05510	26.1
55.64198	1.6
55.83459	1.3
57.03431	2.6
57.07066	3.8
59.05005	2.2
65.03964	1.8
67.05502	28.2
69.03427	5.0
69.07067	11.6
69.10491	8.1
71.04997	3.6
79.05487	31.9
81.03418	5.7
81.07056	53.3
83.04965	12.2
83.08617	19.0
85.06528	3.6
86.91477	1.3
87.04463	13.6
91.05479	26.8
93.07046	32.7
95.04970	18.7
95.08595	15.3
97.06529	5.5
97.10163	15.9
99.04446	2.4
105.04546	2.4
105.07021	26.4
105.07716	1.5
107.04940	7.8
107.08588	18.7
108.08852	1.4
109.06527	14.9
109.10150	8.8
111.04462	5.1
111.08071	7.4
115.05480	2.6
117.07021	13.8
119.04978	1.9
119.08581	32.1
121.06503	12.1
121.10149	15.6
123.08067	12.5
123.11720	2.5
125.09623	13.9
128.06265	2.2
129.06992	6.8
130.07776	2.0
131.08562	19.8
131.09483	2.1
133.06500	4.3
133.10143	16.7
135.08083	9.8
135.11693	6.3
137.09601	4.6
139.11211	2.3
141.06949	2.3
142.07788	3.0
143.08551	10.4
144.09326	2.1
145.06467	2.5
145.10129	24.9
147.08064	14.7
147.11668	8.3
149.09637	9.6
151.07600	1.7
151.11215	2.7
153.09103	3.3
155.08540	4.3
155.10548	1.5
157.10135	10.8
159.08012	2.0
159.11671	11.1
161.09589	8.3
161.13303	1.8
163.11169	11.3
165.09134	9.8
167.08604	2.9
169.10126	6.1
170.10876	1.8
171.11679	9.8
173.09637	3.3
173.13252	4.1
175.11165	4.3
177.12753	2.5
180.09363	2.0
181.10229	2.7
181.12227	5.4
183.11702	4.3
185.13303	3.3
187.11212	2.9
187.14868	1.4
189.11208	9.2
189.12682	2.7
191.10667	3.9
191.14334	2.1
193.10284	2.1
193.12120	2.1
195.11649	3.9
197.13345	4.0
199.11230	2.4
199.14885	1.7
201.12782	2.6
203.14282	2.7
207.13809	3.2
208.14539	1.6
209.13481	3.1
211.14801	2.0
213.12680	1.8
219.13882	1.9
221.15401	6.6
223.13300	5.5
227.12738	2.9
233.15395	3.1
234.16179	2.1
237.16489	3.8
245.19119	2.2
249.14742	3.5
255.17471	4.7
257.18970	7.4
273.18512	29.2
274.18744	2.2
275.20074	35.3
276.20480	2.9
287.20090	5.7
291.19531	100.0
292.19864	6.2
293.21085	15.8
309.20468	8.3
352.24179	6.9
373.79834	1.5
487.21042	1.4
538.36511	12.9
539.25934	1.6
547.37561	2.4
565.38470	7.4
583.39764	7.2
601.40985	3.0
618.41931	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01874	6.8
55.05510	19.4
55.57085	2.4
57.03452	6.4
57.07084	5.5
57.54332	2.6
67.05501	21.0
69.03452	2.6
69.07087	9.3
69.40164	11.0
74.86606	2.3
79.05490	28.1
81.07064	44.7
83.05003	8.1
83.08632	10.3
85.02946	3.2
87.04475	17.7
91.05481	31.6
92.46044	2.8
93.07034	31.7
93.07500	3.1
95.04980	24.6
95.08607	16.3
97.06543	5.1
97.10169	12.2
99.02449	2.5
105.07023	28.6
107.05000	7.8
107.08595	16.6
109.06564	5.0
109.10159	14.1
117.07039	12.0
119.08585	34.3
121.06551	8.8
121.10149	13.3
123.08105	8.2
125.09671	8.9
128.06386	3.6
129.07014	5.3
131.08592	16.1
133.10146	12.5
135.08110	9.6
135.11723	6.1
137.09656	2.8
143.08606	9.0
145.10129	20.2
147.08096	10.5
147.11737	7.7
149.09685	10.0
156.09431	2.7
157.10152	5.8
159.11739	9.3
161.09641	3.2
161.13223	3.2
163.11237	8.5
165.09120	3.1
169.10233	3.1
171.11761	4.8
173.09665	3.1
175.11221	2.9
181.12381	4.8
183.11682	2.7
185.13287	5.0
187.11215	3.7
189.11235	5.9
189.12802	2.8
201.16435	3.0
203.14333	3.1
219.17442	61.5
221.15436	4.2
223.13289	3.3
233.19089	2.5
271.16959	2.6
273.18555	17.2
275.20081	17.6
291.19559	100.0
293.21002	3.1
306.67606	2.8
386.79849	2.4
429.55331	2.8
473.34863	3.1
538.36432	3.1
596.83752	3.2
600.40997	3.6
618.40948	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01865	2.2
55.05513	77.4
56.55331	1.4
67.05488	3.0
69.07065	3.8
70.25555	1.4
75.04483	1.6
79.05460	1.6
79.16519	1.4
81.07066	3.1
83.04984	100.0
87.04475	2.4
87.08121	3.4
91.05482	4.9
91.39857	1.3
93.07043	3.7
95.04966	2.3
95.08611	3.2
98.23437	3.3
99.04459	30.0
104.06236	2.4
105.03406	6.0
105.07063	2.5
115.05477	1.5
119.04946	5.9
119.08599	2.6
121.06511	2.0
127.03919	18.3
132.05721	13.2
147.08099	6.7
149.05994	2.7
152.04750	1.8
163.11209	1.8
164.08353	1.5
165.07011	1.6
168.05725	1.9
175.07536	2.5
177.05499	2.5
178.07840	1.5
179.10684	1.8
193.08401	1.5
194.07303	2.4
195.06477	3.4
203.52853	1.4
205.06422	3.5
207.10170	32.3
208.08774	2.2
209.05945	3.2
221.06013	2.3
222.06749	4.5
223.07535	2.9
224.48953	1.5
225.05453	3.7
227.06920	1.7
233.06029	3.0
235.07571	3.3
236.08369	2.1
237.05472	4.6
237.09058	5.9
237.11446	1.5
238.06216	2.5
239.03450	6.0
239.06973	3.4
240.04132	3.5
241.05084	2.1
249.05498	5.0
249.09097	1.7
250.06258	8.1
251.03378	13.5
251.07068	7.6
252.04262	5.6
252.07680	2.5
253.04865	5.3
253.08781	2.6
254.05727	3.0
255.06476	3.3
261.05283	2.5
262.06354	3.3
263.06989	8.8
264.07709	6.8
265.05151	8.3
265.08600	15.3
266.05759	9.5
266.09378	2.5
267.03128	2.2
267.06512	6.5
267.09799	1.4
268.07269	2.7
269.04428	1.6
269.08084	2.7
269.11548	1.5
270.05338	2.2
271.05847	2.0
275.07169	2.2
276.08118	1.9
277.05371	1.5
277.08478	3.2
278.05780	4.1
279.06573	10.5
280.07358	11.5
281.04440	5.3
281.08038	9.0
282.05194	6.7
282.08267	2.7
283.01895	2.7
283.05994	4.8
283.09155	2.1
285.07623	1.9
287.09149	5.0
291.06613	7.7
292.04218	2.7
292.07169	10.8
293.04446	6.9
293.08087	12.7
294.05194	10.8
294.08832	7.3
295.06012	8.1
295.09692	12.0
296.06726	6.6
296.09802	1.7
297.04346	2.4
297.07584	57.0
297.10925	2.6
298.08176	3.7
299.05603	2.6
299.09174	1.8
304.07492	1.6
305.08115	6.6
306.08511	1.5
307.05984	7.3
307.09683	4.2
308.06799	11.9
309.04208	2.9
309.07584	9.3
309.11044	3.0
310.08328	2.8
311.05484	13.8
311.09122	5.3
313.07184	10.2
313.10226	2.3
314.07767	2.5
315.08624	3.8
319.09286	1.8
321.07513	5.9
322.08344	11.8
323.09146	76.3
324.06406	2.7
324.09833	14.4
325.07031	11.9
325.10754	10.1
326.07883	20.7
327.08517	5.6
327.12039	2.6
328.09326	4.7
329.10080	5.6
333.07541	2.6
335.09406	2.2
337.07010	3.9
337.10727	12.8
338.11349	6.1
339.08554	4.9
339.12238	5.9
340.09460	12.5
340.13098	2.1
341.10141	2.6
348.09927	5.0
349.06821	2.4
349.10712	3.2
351.08456	2.6
351.12283	2.4
353.10181	35.7
354.10806	5.0
355.11758	44.9
356.11938	2.6
357.09662	11.9
364.09354	2.8
365.10452	6.9
366.11142	9.6
367.11731	18.9
369.13257	12.5
379.11707	15.6
397.12814	40.7
398.13373	2.7
410.13608	2.3
439.21573	2.9
440.14508	2.3
455.16830	3.3
619.27600	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25255	4.6
50.36591	4.9
52.34126	4.9
53.03947	7.9
53.45806	4.5
55.01859	12.5
55.05509	47.3
67.05508	47.8
69.07079	25.2
71.05011	5.1
79.05498	62.5
81.07059	97.0
83.04979	11.5
83.08606	28.7
87.41791	5.3
91.01996	6.1
91.05490	55.4
93.07057	46.0
95.04968	28.5
95.08630	32.5
97.06515	9.3
97.10157	37.1
105.07045	60.3
107.04974	19.1
107.08601	41.1
109.06522	17.9
109.10157	19.5
111.04448	11.7
117.07025	20.3
119.08583	58.0
121.06517	8.7
121.10139	31.6
123.08092	14.8
123.11690	7.3
125.09658	29.3
125.93625	4.9
129.06992	8.9
129.47501	6.5
131.08575	27.2
133.10118	36.1
135.08037	12.3
135.11685	16.1
136.06143	10.1
143.08511	10.3
145.10147	33.2
147.08020	16.2
147.11725	27.2
149.09641	16.0
149.13280	11.6
151.11200	6.4
153.12872	5.7
157.10152	12.7
159.11690	21.6
161.09575	9.8
161.13280	10.6
163.11183	18.2
171.11676	8.5
177.12697	6.0
181.12192	7.1
189.11235	27.3
189.12709	6.1
191.10583	6.1
196.85529	5.4
223.13365	15.1
236.95274	5.3
241.19501	8.3
257.19025	13.2
259.20697	29.1
273.18497	22.6
275.20056	100.0
277.21646	12.0
291.19571	79.3
293.21088	40.3
313.40497	5.0
413.30585	6.8
414.57739	5.0
468.65027	5.1
549.38989	14.2
567.39954	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33349	2.5
55.01873	10.6
55.05513	28.1
55.96940	2.4
57.03437	3.8
65.03946	2.6
67.05502	54.9
69.03423	4.1
69.07066	26.5
69.10273	17.6
71.04987	4.0
79.05495	51.3
79.31084	2.5
81.03426	9.4
81.07057	65.4
81.07504	5.1
83.04967	9.3
83.08614	19.6
85.02885	3.8
85.06525	4.4
91.05475	46.5
93.07043	46.3
95.04970	62.8
95.08608	32.6
97.06544	8.3
97.10159	13.4
105.07031	46.4
107.04969	12.0
107.08591	27.7
109.06525	22.5
109.10152	15.6
111.08083	4.5
117.06999	18.3
119.08577	32.5
121.06501	9.6
121.10135	20.9
123.08088	10.9
123.11724	6.6
125.09583	15.3
126.41065	2.6
129.06926	6.1
131.08559	29.9
133.06517	3.3
133.10118	23.3
135.08080	9.5
135.11705	9.8
137.09633	6.0
143.08572	7.4
145.10114	21.9
147.08034	9.5
147.11696	17.7
149.09621	23.8
149.13281	4.2
151.11165	4.1
153.09163	2.9
155.08580	2.8
157.10118	7.3
159.11685	15.5
161.13286	6.4
163.11166	31.0
163.14812	2.7
165.12752	7.2
169.10184	3.2
171.11682	5.1
173.09612	3.3
173.13293	5.4
177.12686	5.9
183.11549	3.4
189.11237	9.8
199.14821	3.2
201.16469	3.0
205.12251	3.2
223.13289	24.2
229.19624	5.0
239.17979	6.5
247.20676	7.9
257.19040	19.3
273.18665	3.8
275.20053	100.0
276.20230	4.2
277.21368	3.0
291.19516	11.9
293.21082	74.2
313.78848	2.6
318.55832	3.5
368.68332	2.9
406.20621	2.7
567.40039	6.2
620.43024	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
55.01862	7.7
55.05260	2.2
55.05515	38.8
57.03431	2.8
57.07084	2.0
65.03936	1.7
67.05157	3.0
67.05508	44.3
69.03438	3.2
69.07066	20.6
71.04984	6.1
71.07774	2.3
76.35032	1.6
79.05497	42.1
81.03411	9.2
81.07059	70.9
83.04993	9.7
83.08619	22.0
85.06555	2.8
91.05485	46.6
93.07047	40.3
93.07605	3.3
95.04974	31.5
95.08604	30.1
97.06511	8.1
97.10180	8.6
102.23296	1.6
105.04535	2.7
105.07039	48.1
107.04953	16.8
107.08597	30.4
109.06518	12.6
109.10158	16.2
111.04472	2.2
111.08064	6.1
117.07026	20.2
119.08574	37.0
121.06491	7.4
121.10149	17.5
123.08106	9.6
123.11717	4.9
124.50137	1.7
125.09627	7.2
128.06311	1.8
129.07001	8.1
130.07805	2.3
131.08569	25.4
133.06532	2.2
133.10132	29.9
135.08046	6.8
135.11710	9.6
137.09622	5.9
139.11209	3.2
142.07761	1.8
143.08578	8.4
145.10126	25.6
147.08047	4.2
147.11688	24.4
149.09637	21.4
149.13300	4.0
151.11180	4.9
155.08537	5.4
157.10106	5.9
159.07965	2.1
159.11682	17.5
161.09602	4.6
161.13283	4.4
163.11186	20.5
165.12764	7.0
169.10135	5.5
171.11658	5.9
173.09604	3.8
173.11873	3.0
173.13258	10.7
175.11272	4.2
175.14912	2.5
177.12900	2.4
179.14317	2.7
183.11728	5.5
185.13332	3.5
187.11314	3.5
189.11160	4.0
189.12746	2.3
191.10709	2.2
191.14337	2.1
195.13837	1.7
197.13315	3.6
201.12804	2.6
211.14787	2.3
213.16426	3.6
215.14452	2.0
215.18002	3.0
216.05585	1.8
223.13263	10.3
229.19476	4.2
239.17877	9.7
247.20598	4.7
253.46013	2.0
257.18991	19.4
275.20078	100.0
276.20465	3.1
277.21591	1.9
291.19577	4.2
293.21133	41.2
294.21576	2.3
331.18829	4.4
416.19019	1.8
425.17526	1.9
504.36475	2.7
560.23663	6.1
567.40295	4.9
585.41272	2.7
594.81982	1.8
602.43591	2.1
611.55841	2.1
620.25653	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03944	3.9
54.18430	0.8
55.01880	7.3
55.05257	1.7
55.05513	30.6
57.03434	3.3
57.07102	1.1
65.03967	1.9
67.05507	41.5
67.05867	2.1
69.03427	3.4
69.07076	16.4
69.35585	4.4
71.04990	2.7
71.08652	1.0
77.03925	1.9
79.05492	39.4
81.03416	9.1
81.07059	48.7
83.04996	8.4
83.08624	24.2
85.02917	1.4
85.06539	2.0
87.08085	1.1
91.05482	41.4
93.07046	34.9
95.04971	32.4
95.08607	24.9
97.06535	7.5
97.10170	5.4
99.08089	1.6
103.05483	1.2
105.04533	1.9
105.07031	39.8
107.04958	15.7
107.08593	21.6
109.06524	9.5
109.10150	13.0
111.08081	4.1
117.07030	15.2
119.08578	32.2
121.06522	6.7
121.10144	16.9
123.08086	6.2
123.11723	3.2
125.09637	5.4
128.06253	1.4
129.07001	6.5
130.07774	1.1
131.08565	19.8
133.06516	2.2
133.10132	28.2
135.08060	6.0
135.11696	12.8
137.09642	4.7
139.11165	1.8
141.07033	1.7
142.07814	1.2
143.08569	4.1
145.06482	2.6
145.10138	21.9
147.08067	2.9
147.11682	17.1
149.09622	25.2
149.13287	4.3
151.11188	3.9
155.08517	4.3
157.10135	4.5
159.08023	0.9
159.11711	12.4
161.09621	3.3
161.13322	4.8
163.11179	26.3
165.12775	5.2
168.09442	1.0
169.10135	4.1
171.11678	6.1
173.09630	3.6
173.13206	7.1
175.11186	2.9
175.14911	1.5
177.12756	3.6
179.14314	3.2
181.12248	2.0
183.11739	3.9
185.13231	1.5
187.11223	1.9
187.14774	2.1
189.11223	3.9
189.12755	1.2
191.10641	1.4
193.12341	1.3
195.13759	1.8
197.13266	3.8
199.14883	1.0
201.12770	2.0
205.12233	1.9
211.14732	1.2
213.16382	1.7
217.15851	1.4
219.17398	2.2
223.13272	16.7
229.15991	1.5
229.19534	4.3
233.15424	1.1
235.16924	1.0
239.17906	7.6
247.20560	2.9
257.19034	16.5
263.20200	1.2
273.18564	1.8
275.20068	100.0
276.20480	2.9
277.21494	2.0
291.19592	4.5
293.21091	43.6
374.61456	0.9
469.33130	1.4
579.83368	1.1
620.42285	1.6
632.90289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
51.84755	1.0
53.03941	1.8
55.01866	6.5
55.05510	18.5
57.03428	2.5
57.07064	1.7
62.06842	1.1
65.03936	1.8
67.05159	2.4
67.05504	33.7
69.03427	1.2
69.07066	13.8
69.40923	1.6
69.41316	3.8
71.04984	2.9
71.84798	1.1
79.05494	29.7
80.32630	1.1
81.03396	5.0
81.05717	1.1
81.07056	43.0
83.04967	5.3
83.08609	14.6
85.06503	2.1
86.39713	1.1
87.04494	1.4
91.05477	31.1
93.07045	27.8
95.04967	17.6
95.08603	18.6
97.06515	6.5
97.10175	5.5
99.08084	1.4
105.04509	1.1
105.07025	31.9
107.04948	12.6
107.08595	18.9
109.06516	10.3
109.10153	10.4
110.91346	1.1
111.08083	4.3
113.09696	1.4
117.07012	11.9
119.08569	22.5
121.06511	4.7
121.10139	13.4
123.08054	7.0
123.11722	3.4
125.09642	3.8
128.41911	1.0
129.07022	4.3
130.07765	1.2
131.08563	16.2
133.06465	2.0
133.10130	20.6
135.08041	5.2
135.11673	7.2
137.09607	3.5
137.13251	1.4
139.11221	1.6
141.07027	1.6
143.08591	3.8
145.10126	16.1
147.08076	3.0
147.11691	16.8
149.09613	17.3
149.13318	4.5
151.11212	3.4
157.10101	4.3
159.11690	10.1
161.09634	1.6
161.13268	4.5
163.11192	14.3
163.14851	1.3
165.12766	4.5
169.10129	3.3
171.11696	4.8
173.09610	2.1
173.11819	1.9
173.13301	5.9
175.11182	2.9
177.12808	3.6
179.14320	1.4
181.12259	1.9
183.11684	2.2
185.13245	2.3
187.11241	1.6
187.14861	2.4
188.08752	1.1
189.11235	3.4
189.12781	1.5
193.12303	2.3
193.15828	1.1
195.13882	2.6
196.40508	1.2
197.13242	1.8
211.14870	1.0
213.16316	1.3
219.17464	2.4
223.13274	8.7
229.19569	4.5
231.17464	1.1
233.15216	1.5
239.17911	7.3
241.68607	1.1
242.88710	1.1
247.20522	3.2
249.14929	1.4
257.18991	16.8
273.18457	2.1
275.20050	100.0
276.20419	4.1
291.19543	5.2
293.21103	40.1
294.21497	1.6
320.83469	1.3
357.53278	1.2
387.16702	1.1
399.16473	1.6
400.16870	3.1
401.17310	3.3
402.18002	1.8
414.18112	3.7
415.18985	4.8
416.19513	5.8
417.20566	1.6
428.19873	2.2
429.20578	4.2
430.21576	7.6
442.17413	2.4
443.17984	1.9
444.18390	2.3
444.23715	2.5
445.19495	2.0
445.23993	1.4
446.20309	2.5
456.19617	2.2
457.20139	1.5
458.20563	5.0
459.21109	5.0
471.21692	1.5
472.22604	6.9
473.23560	5.6
474.20071	2.6
486.20264	3.9
487.20737	6.0
488.21725	1.7
489.22644	1.4
491.20419	1.3
500.21832	7.0
501.22446	3.7
504.24860	2.1
504.36688	2.0
528.21234	1.8
532.24359	6.3
549.39697	2.2
559.23334	3.9
560.23700	88.9
561.24188	9.0
567.40521	3.6
588.23035	13.9
589.23529	1.7
620.25745	46.9
620.42505	2.3
621.27100	2.4
621.36945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63221	0.9
54.90897	0.9
63.82416	0.9
69.23582	5.6
80.54546	0.9
119.60058	0.9
201.28955	1.0
212.16438	1.3
215.10738	2.0
275.12714	1.3
613.21637	0.9
621.23004	100.0
622.23590	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
55.05469	0.6
56.28041	0.3
67.05458	1.3
69.07027	0.4
69.66360	1.2
77.33130	0.3
79.05448	0.9
81.07018	1.2
83.08576	0.4
91.05446	0.8
93.06978	0.8
95.04922	0.5
95.08552	0.9
97.63044	0.3
98.23215	0.8
105.06997	0.6
107.04926	0.4
107.08556	0.7
109.06453	0.5
109.10071	0.3
119.08496	0.4
121.06419	0.4
121.10097	0.4
133.10088	0.4
141.09114	0.4
145.10165	0.4
163.11171	0.4
197.10637	0.4
205.05684	0.3
209.10733	0.4
223.13258	0.5
235.12314	0.4
245.53838	0.3
275.20102	1.1
276.20401	0.5
278.21930	0.3
289.17905	0.5
291.19440	0.7
292.19638	0.5
293.21051	2.4
294.21411	1.0
295.22720	0.3
298.13531	0.5
314.13013	0.3
369.37112	0.3
374.15411	0.5
375.15927	1.4
376.17651	0.5
377.18481	0.3
378.19449	0.3
386.16461	0.5
387.16092	1.2
388.16968	1.9
389.17627	3.6
390.18454	2.1
391.19098	0.7
400.17953	0.3
401.17715	1.0
402.14047	0.5
402.18970	1.5
403.19281	6.9
404.20050	3.8
405.20749	2.3
413.17331	0.3
415.14612	0.5
415.19205	1.3
416.16147	1.5
416.20142	1.4
417.16849	4.0
417.20828	4.0
418.17471	1.1
418.21594	1.3
419.17059	0.6
419.22330	10.3
420.22836	1.1
429.16672	0.7
429.21494	0.5
430.16797	1.5
430.22266	0.8
431.18121	9.5
431.23636	0.5
432.18927	3.6
433.19867	1.9
441.16965	0.5
443.18646	1.0
444.19482	1.5
445.20123	8.4
446.20883	5.8
447.21808	9.7
448.22491	0.5
457.20407	0.4
459.17487	1.8
459.22031	2.5
460.18613	1.2
460.23410	0.6
461.19485	0.9
463.21146	0.5
473.19620	1.7
474.20337	9.1
475.21259	14.4
476.21683	1.0
478.23318	0.4
487.21460	3.9
488.21970	1.3
490.24023	0.6
491.20853	0.9
501.22928	2.7
502.23776	0.5
503.20093	0.5
505.25742	1.0
517.22284	0.5
518.23120	0.6
519.21838	0.3
529.22394	0.5
533.25543	10.1
534.25500	0.8
546.22852	1.0
561.24945	66.6
562.25293	5.4
589.24457	2.0
593.27588	2.8
621.27032	100.0
622.27344	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05510	0.7
67.05505	0.9
67.99913	0.1
69.07058	0.3
72.46684	0.1
79.05498	0.7
81.03416	0.3
81.07076	0.7
83.04970	0.2
83.08613	0.4
91.05491	0.6
93.07059	0.6
95.05002	0.6
95.08607	0.5
97.06577	0.2
105.07047	0.5
106.06529	0.2
107.04981	0.3
107.08628	0.6
109.10155	0.2
114.98903	0.2
117.07042	0.2
119.08598	0.4
121.10180	0.3
123.11714	0.2
131.08580	0.3
133.10126	0.4
135.11699	0.2
145.10162	0.3
147.11719	0.2
149.09700	0.3
163.11188	0.3
165.12827	0.2
172.04065	0.2
195.09235	0.2
197.10812	0.2
209.10765	0.4
221.10817	0.4
223.13518	0.2
233.10858	0.2
233.36623	0.2
235.12225	0.2
239.11946	0.2
257.10684	0.2
257.19159	0.2
275.20053	1.7
276.20459	0.6
286.13477	0.2
293.21161	1.1
294.21579	0.6
298.13538	0.2
300.14755	0.3
310.13684	0.2
313.12091	0.2
340.14639	0.3
361.15350	0.2
362.16046	0.2
366.16074	0.2
373.14609	0.5
374.15585	0.5
375.15878	0.8
376.16992	0.3
386.16336	0.2
387.16226	0.5
388.16989	0.9
389.17621	2.7
390.18555	1.2
391.19183	0.7
401.18011	0.8
402.14096	0.4
402.19028	1.3
403.19510	4.1
404.20059	2.3
405.20749	2.6
406.21103	0.3
415.19275	0.6
416.16379	1.2
416.20447	0.6
417.17093	3.8
417.21228	2.2
418.17581	0.8
418.21609	1.1
419.22427	6.6
420.23236	0.8
429.16531	0.3
429.21112	0.5
430.16974	1.0
430.22659	0.3
431.18155	6.7
432.18890	2.4
433.20038	2.2
443.18741	0.7
444.19806	0.5
445.20093	6.2
446.20956	4.8
447.21765	7.4
448.23157	0.3
457.20810	0.2
458.21259	0.3
459.17297	0.7
459.21927	2.1
460.18735	0.6
460.23785	0.3
461.19586	1.6
462.20749	0.2
463.21408	0.5
473.19641	1.2
473.24442	0.5
474.20413	4.1
475.21216	5.7
476.21844	0.5
477.23099	0.3
478.23657	0.3
487.21408	2.5
488.22003	0.8
490.23407	0.3
491.21167	0.8
501.23059	1.3
502.23465	0.2
503.21475	0.3
505.27066	1.1
506.22968	0.3
515.20563	0.2
517.22412	0.4
518.23169	0.3
519.20471	0.5
529.22198	0.7
530.22693	0.2
531.36481	0.2
533.25494	9.9
534.26068	0.9
546.22162	0.3
561.24982	15.9
562.25275	1.5
589.24481	0.8
593.27570	3.0
594.27429	0.2
621.27057	100.0
622.27399	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
63.87410	0.5
67.05503	2.3
67.70118	0.5
69.07080	0.5
69.25884	1.6
69.26283	0.9
79.05495	1.3
81.07049	2.3
83.08630	1.4
91.05478	1.2
93.07050	2.2
95.04974	1.4
95.08608	0.9
97.06578	0.6
97.10169	0.7
105.07034	1.6
107.04973	0.6
107.08592	1.0
109.06523	1.0
109.10146	0.6
119.08582	1.3
121.10119	0.7
122.96261	0.5
125.09643	0.7
131.08615	0.7
133.10097	0.7
145.10146	1.3
159.11633	0.5
163.11224	0.9
189.11278	0.7
189.80133	0.5
223.13231	0.6
257.19159	0.6
275.20078	5.0
276.20526	2.0
285.14658	0.6
291.19452	0.6
291.41882	0.6
293.21103	2.0
294.21448	1.4
313.13925	0.9
325.14038	1.0
329.17435	0.9
331.18616	2.7
378.65604	0.6
381.20615	0.6
411.21350	2.6
449.22845	0.8
454.23529	1.1
495.30850	6.5
523.30151	2.3
561.24628	1.4
621.37524	100.0
622.37946	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83889	1.4
51.02369	1.6
53.03951	9.0
55.01875	7.8
57.03432	5.8
58.78333	1.5
61.02916	4.8
67.05494	2.8
67.80113	1.5
68.99800	1.7
69.03433	24.6
69.07044	2.4
69.23357	6.4
70.61049	1.5
71.04990	5.0
73.02915	6.9
76.41872	1.4
79.05486	3.4
81.03419	29.1
81.07063	2.9
82.02764	1.5
85.02905	64.4
87.00824	23.9
91.03971	2.0
91.05496	4.2
93.03401	2.1
93.07040	1.7
95.04951	2.8
95.08607	1.8
97.02898	38.2
98.22741	2.5
99.04449	15.0
103.05444	2.4
105.01869	23.8
105.07064	2.6
107.04951	2.8
109.02882	30.4
111.04433	2.9
115.05450	11.0
117.01871	4.4
117.07032	3.7
121.06500	2.3
122.03625	3.4
125.05986	3.0
127.03915	58.6
128.06273	2.3
129.01834	4.5
129.07022	9.7
131.04927	7.7
135.04414	100.0
137.05972	62.7
138.06343	1.6
143.04921	26.1
145.04968	37.6
145.06467	16.2
147.02855	3.0
147.04428	2.0
147.11652	1.7
149.05956	3.5
151.03923	3.0
151.07530	6.5
153.05455	2.2
155.06004	1.8
157.06482	11.6
159.02911	18.5
159.04269	2.9
160.05196	8.2
161.05978	6.3
163.07532	4.5
172.05191	1.9
173.05988	94.9
174.06468	2.3
175.07541	56.6
177.05553	2.2
177.09085	2.3
185.05983	44.5
187.05931	3.3
187.07533	33.8
189.09091	9.5
199.07559	3.1
203.06996	34.0
203.08572	3.7
205.08629	13.2
209.05859	2.2
215.07030	4.7
215.10704	2.1
217.08734	4.1
219.07996	4.6
219.10091	2.9
231.04988	12.9
231.08014	5.5
233.08076	58.1
235.09601	13.8
237.05438	4.3
245.07881	1.9
247.07597	3.2
261.09079	4.7
263.10501	2.2
268.07166	3.5
269.08133	8.7
276.08035	1.9
277.08615	4.0
281.08029	1.8
289.05688	1.8
289.08377	8.7
291.10168	4.6
309.11188	7.6
321.11124	12.0
323.12955	2.6
339.12323	32.0
339.15973	2.0
355.11810	4.6
559.67572	1.7
572.66467	1.7
622.33545	1.8
623.25452	2.3
638.49060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
67.05498	1.1
68.05032	1.0
69.03421	0.7
69.07050	0.6
70.06584	0.5
71.46255	0.7
73.51611	0.4
73.97668	0.4
79.05482	1.9
80.05018	0.4
81.07046	1.1
84.08166	1.0
85.02882	0.5
91.05477	1.3
93.07043	1.4
95.04973	0.7
95.08574	0.7
98.06065	1.5
100.11230	0.6
105.07025	1.4
107.04941	2.8
107.08594	0.6
109.10190	0.6
115.05454	0.6
116.07062	0.9
119.08573	0.5
121.06505	1.5
121.10158	0.6
123.04382	0.5
124.05217	0.6
125.05981	0.6
128.06230	0.4
129.06998	0.8
131.08514	0.5
133.06497	0.5
134.08122	11.9
137.05960	0.5
142.07693	0.4
143.04944	0.6
145.06490	1.1
145.10193	0.5
149.05965	0.8
151.07571	3.0
153.07057	0.7
154.07744	0.4
155.08563	0.5
157.06499	2.5
158.07233	0.7
159.07993	0.7
162.01949	0.4
165.09146	2.6
167.07053	8.2
168.05595	0.6
169.06471	1.4
170.07306	1.1
171.08060	3.0
172.08824	4.0
173.05968	1.3
173.09573	0.6
174.06773	0.7
174.10379	2.1
175.07556	0.5
177.09081	1.8
179.07042	0.8
181.08589	1.5
183.08006	0.9
184.08824	6.1
185.05968	1.6
185.09560	0.8
187.07596	0.4
188.08321	8.7
189.09087	1.7
193.08702	0.8
199.07507	0.8
200.08351	5.5
201.09082	2.4
202.09947	0.7
203.10655	9.0
205.08699	0.5
205.12277	2.3
209.06148	0.4
215.10660	31.2
216.10991	1.1
218.09413	1.4
228.15965	0.5
229.11920	0.4
231.10078	0.7
233.09373	1.0
233.11710	18.6
234.12157	0.9
237.05577	0.6
239.16383	1.4
245.11630	0.9
263.10587	0.6
265.04938	2.4
274.68600	0.4
275.12766	100.0
276.13120	3.9
281.17465	1.8
288.41946	0.4
293.04468	4.1
306.12265	0.5
309.14825	0.6
321.03821	0.7
322.11929	0.5
323.05594	2.9
337.14450	0.9
338.15027	0.5
341.06384	0.9
351.04950	3.4
355.08295	0.7
369.16977	3.7
379.04556	0.6
411.07047	0.9
622.23602	0.8
622.33752	0.7
623.25385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
56.05042	3.1
58.06608	1.4
69.07103	1.3
71.46487	1.2
72.08154	9.4
74.06094	3.2
80.45015	0.8
81.04543	2.2
81.07074	2.6
82.05352	1.6
83.06101	7.6
83.08634	1.7
84.04495	1.3
93.04504	6.8
95.06091	6.9
95.08588	1.2
97.10156	1.2
99.05637	1.3
105.50866	0.9
108.05608	2.8
110.07161	100.0
111.05608	1.0
111.07499	2.1
122.07169	6.3
128.10757	1.8
138.06665	2.8
150.06670	3.3
152.08173	5.3
164.11836	12.2
166.06165	3.1
166.09842	3.5
167.09241	4.6
170.19022	16.7
179.09271	9.6
183.11290	1.1
192.11342	1.2
195.08864	3.0
197.10362	8.1
201.12373	1.1
207.08736	4.7
208.07172	7.1
209.13977	6.9
225.09807	25.6
237.13449	5.8
251.54271	1.1
271.23892	7.0
276.14566	1.1
302.16196	3.7
320.17300	1.3
324.16815	4.2
366.17953	1.1
386.25674	2.2
404.96381	1.1
407.20364	3.1
422.27945	1.0
425.21594	2.0
469.60815	1.1
472.93417	1.0
495.32834	1.2
505.31458	1.1
521.72638	1.2
523.32074	4.3
550.37140	1.2
576.39056	1.8
578.36121	1.2
594.39850	6.1
604.38147	8.1
622.22986	2.2
622.39355	89.9
623.39978	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
69.87211	1.7
74.12180	0.6
93.07075	0.6
121.10210	0.6
201.53339	0.6
221.10745	0.6
363.16135	0.7
373.15247	0.6
375.16705	0.7
376.17139	0.8
377.17706	2.1
378.18515	1.8
385.14420	0.9
387.16251	1.3
388.17935	1.0
389.18134	1.1
390.18976	1.3
391.19415	3.0
392.20016	2.9
393.20862	2.4
399.16260	1.7
400.17004	1.2
401.17700	5.2
402.18588	1.2
403.18970	1.2
404.20969	0.6
405.16760	1.3
405.21332	1.0
406.21750	1.0
406.91217	0.6
407.22504	4.0
408.22470	0.7
413.17712	2.2
414.18527	2.0
415.19403	6.6
416.20392	2.8
417.21252	1.2
418.18283	0.8
419.18796	2.6
420.19305	1.3
421.20132	1.7
427.19324	2.0
428.20514	3.0
429.21609	4.2
430.21497	2.4
431.18756	1.4
432.19351	1.1
433.16431	1.7
434.21216	1.3
435.21872	2.5
436.22119	1.1
439.19287	1.1
440.19916	0.7
441.16769	0.8
442.22275	0.7
443.17624	1.4
443.22427	3.4
444.19098	4.0
445.20398	2.4
446.21432	1.2
447.17410	4.1
448.18860	1.7
449.19788	1.3
456.19638	1.3
457.16034	1.0
457.21307	0.9
458.21146	4.2
459.18201	1.9
460.19128	1.1
461.19580	3.4
462.20493	2.3
463.21307	2.5
471.22290	9.0
472.18802	1.9
472.23709	1.0
473.18942	3.6
474.20383	3.3
475.16544	1.0
475.21219	3.1
476.18024	0.9
480.25320	0.9
483.21979	1.0
484.19077	1.2
485.19934	3.7
486.20453	4.6
487.21313	0.9
489.23593	6.7
490.19324	4.2
491.20355	2.8
492.21881	1.2
493.22064	0.8
499.21375	19.6
500.18628	2.4
501.23355	6.4
502.20032	1.3
503.20593	3.5
507.23953	2.6
508.24631	1.1
511.21436	1.4
513.19379	2.2
514.19855	2.1
517.22412	13.9
518.22260	2.2
527.20905	2.7
529.22345	9.9
531.20294	1.6
535.23492	3.4
536.23962	1.5
545.21814	48.0
546.21936	3.9
555.20319	1.6
563.22778	1.8
564.23395	2.1
573.21313	14.6
574.21832	1.3
577.25018	0.7
591.22284	1.0
605.23932	100.0
606.24249	10.4
623.25000	99.9
623.40662	2.6
624.25269	8.8
642.64557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16597	0.3
59.39786	0.3
66.95853	0.3
69.71106	0.9
69.71456	0.6
70.76379	0.3
74.08518	0.4
79.05518	0.4
83.17545	0.3
91.05429	0.5
98.90617	0.3
163.83549	0.4
182.09634	0.4
185.97250	0.4
189.82050	0.4
193.47087	0.4
209.10646	0.4
221.10881	0.4
223.12242	0.5
249.10263	0.6
251.11617	0.5
253.09578	0.4
263.15112	0.3
283.11652	0.3
310.13464	0.4
318.03333	0.3
362.16602	0.4
363.16113	0.7
374.16296	0.5
375.16910	0.7
376.16864	0.8
377.17603	1.4
378.18430	0.7
385.14447	0.4
386.15323	0.5
387.16272	1.1
389.17899	1.0
390.18918	0.9
391.15121	0.4
391.19373	2.8
392.20251	1.8
393.20850	1.3
397.14413	0.3
398.14993	0.4
399.16312	0.8
400.16949	1.1
401.17795	2.1
402.18311	1.3
403.19244	0.8
404.20547	0.6
405.16434	0.6
405.20801	1.3
406.21530	0.9
407.22369	2.7
413.17758	1.0
414.18408	1.0
415.19406	3.7
416.20099	1.1
417.16290	0.5
417.20941	1.0
418.18158	1.0
419.18704	1.6
420.19019	0.5
421.20172	1.5
425.17868	0.5
427.19861	0.7
428.19974	1.1
429.16238	0.6
429.21072	1.3
430.21576	1.3
431.18741	1.4
433.16611	1.5
434.21164	0.8
435.21860	1.4
441.16861	0.6
443.17752	0.8
443.22638	1.5
444.19678	2.0
445.20203	1.6
446.20929	1.2
447.17413	2.8
448.19067	1.2
449.19781	0.5
456.19653	0.4
457.20578	1.0
458.20990	1.2
459.17719	1.9
460.18936	1.0
461.19397	3.6
462.20010	2.0
463.20859	2.2
470.17148	0.4
471.22644	3.2
472.18469	0.4
472.23026	1.0
473.19315	2.4
474.20370	2.3
475.16510	0.7
475.21597	1.2
476.18335	1.0
477.18994	0.7
483.21729	0.5
484.18753	0.7
485.20035	2.7
486.20544	1.9
487.21716	0.6
488.22763	0.5
489.23862	4.5
490.19135	3.2
491.20428	2.6
499.21396	9.1
500.17694	0.4
500.22482	0.9
501.23322	3.0
502.20221	1.0
503.20908	2.7
507.23779	1.3
508.24731	0.9
511.21201	0.7
513.19171	3.4
514.19696	1.1
516.21637	0.6
517.22333	12.2
518.22906	2.0
519.20459	1.2
527.20691	1.5
529.22278	5.1
530.22192	0.7
531.20404	1.6
532.20605	0.5
535.23413	2.8
536.23724	1.1
545.21790	19.9
546.22296	1.5
555.19958	1.3
563.22717	2.4
564.23706	2.1
573.21320	6.5
574.21631	0.5
577.24512	2.9
591.22424	3.8
595.25909	0.8
605.23895	36.9
606.24042	3.1
623.24921	100.0
624.25238	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48014	1.1
121.74497	1.0
142.90370	1.0
151.06073	1.1
193.70897	1.1
200.25333	1.2
377.17950	2.0
391.19360	3.2
392.20038	2.1
393.20905	1.1
400.16879	1.9
404.20691	1.4
405.20935	4.4
406.21539	3.1
407.22269	10.6
414.18747	2.1
415.19327	4.2
420.23126	2.2
421.23895	14.4
422.24628	3.8
427.19501	1.4
428.20258	2.3
429.20715	10.5
430.21661	2.9
433.24509	2.2
442.22150	1.2
443.22867	5.3
444.23264	7.6
447.18112	2.4
455.18372	1.4
456.19373	2.0
457.24658	5.4
458.25232	8.7
459.21878	9.3
460.22763	2.9
461.19882	4.5
463.21207	1.3
470.21210	1.3
471.22226	1.7
472.22742	10.1
473.23486	4.2
475.21222	7.3
476.21564	5.3
477.22464	6.0
484.19574	1.4
485.23438	20.3
486.20245	3.9
486.24426	4.3
487.21606	1.7
488.22125	2.4
489.23062	4.6
499.21402	6.2
500.22104	4.5
502.24246	1.7
503.24515	10.4
513.22748	6.2
514.23596	3.1
515.24866	1.5
517.26300	12.5
521.25568	1.4
529.25781	3.0
535.27197	9.0
545.25513	100.0
546.25671	4.9
562.25970	1.3
564.27350	3.2
573.25085	28.9
574.25378	1.4
591.26697	1.6
605.27667	58.7
606.27942	4.8
623.28668	70.5
624.28900	5.1
649.68085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90287	0.4
67.72656	0.4
67.96506	0.4
69.12405	2.8
72.75904	0.5
84.47286	0.4
107.77714	0.4
211.12201	0.6
233.92860	0.5
279.48679	0.5
311.46936	0.5
345.93939	0.6
390.18497	0.7
391.19028	1.4
392.20068	1.9
393.20935	0.6
404.20343	1.0
405.20850	2.0
406.21686	2.1
407.22293	6.4
413.18097	0.8
414.18234	0.6
415.19232	1.5
419.18173	0.8
419.23056	0.6
420.23056	1.2
421.23926	5.7
422.24689	1.9
428.20117	0.7
429.20612	2.6
430.21524	0.5
431.17932	0.8
433.19724	0.8
433.24609	0.8
443.22498	2.0
444.23373	0.9
445.20059	0.5
447.17447	0.8
449.23611	0.6
457.23816	0.9
458.24655	1.9
459.22067	2.5
460.22598	1.2
461.19348	2.9
462.20038	1.0
463.21506	0.5
471.22177	0.5
472.22385	1.6
475.21051	4.1
476.21448	2.9
477.22623	2.6
485.23816	4.2
486.20013	0.8
486.24600	0.7
487.20905	0.8
488.22134	1.2
489.22931	2.3
499.21188	5.1
500.21820	1.2
502.23477	0.6
503.24622	5.2
504.25180	0.8
507.23764	0.8
513.22662	1.1
514.24530	0.5
515.24323	0.9
517.23248	1.4
517.25873	1.5
518.23572	0.5
529.26508	0.7
531.24146	0.5
535.27319	4.3
545.25433	22.7
546.25885	1.6
562.25604	0.5
563.26379	1.2
564.27161	2.1
573.25024	7.0
577.28076	1.5
591.25488	2.6
605.27600	15.1
606.27600	0.8
623.28607	100.0
624.29004	9.1
634.70667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.07056	1.0
66.69920	0.6
67.05517	2.1
69.07089	1.0
70.64838	0.9
79.05491	1.6
81.07066	2.3
83.08638	1.3
85.10184	0.9
91.05500	1.2
93.07059	1.4
95.04957	1.2
95.08596	1.7
105.07055	1.5
107.04977	0.6
113.09669	1.5
119.08627	0.7
121.10162	0.9
133.10207	0.9
134.86943	0.6
135.11742	0.8
147.08051	0.6
165.12781	0.9
214.49629	0.6
221.10770	0.7
247.06398	0.5
262.12094	0.8
276.20554	0.7
277.21722	2.6
278.22220	1.3
278.29221	0.9
293.21204	1.1
295.22818	4.7
296.23111	1.3
326.72055	0.6
331.18936	0.8
333.20233	0.8
415.19571	1.9
427.19556	1.3
428.20151	1.3
429.20917	4.8
430.21704	1.7
431.18274	0.9
431.23425	0.9
433.24152	2.0
434.20880	1.0
443.22391	3.5
444.23389	3.5
445.19913	1.0
447.22620	1.4
449.23730	1.5
456.19440	1.1
457.24716	1.2
458.24930	4.1
459.21310	3.5
460.22672	3.2
461.23471	2.4
462.20859	2.2
471.21994	1.7
472.22516	4.5
473.23560	2.3
475.21188	1.4
476.21973	2.5
477.22391	3.5
485.23459	6.6
486.24374	2.3
487.25586	3.0
489.23123	1.4
503.24646	3.1
517.26227	3.8
519.23920	1.3
531.24030	4.8
535.26025	1.1
545.25500	48.0
546.26288	2.7
563.26410	15.0
564.27899	1.0
577.29041	0.9
595.28448	1.0
605.27338	5.0
622.44794	1.0
623.28839	100.0
623.39294	18.6
624.28998	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01870	0.5
55.05514	1.8
57.07079	0.6
67.05499	3.5
67.20844	0.3
69.07078	1.6
69.88161	0.8
69.88531	0.7
71.08655	0.4
75.94209	0.3
79.05467	3.4
81.03429	0.6
81.07054	3.4
82.07407	0.4
83.04999	0.7
83.08625	1.0
85.06532	0.4
85.10188	0.9
91.05475	3.1
93.07039	2.8
94.07349	0.3
95.04987	1.4
95.08604	2.2
96.08971	0.4
97.06525	0.8
97.10172	0.7
98.23143	1.0
105.07034	2.0
107.04927	0.7
107.08590	2.0
109.06511	0.8
109.10161	0.8
111.08081	0.5
113.09683	1.3
117.07042	0.9
119.08572	1.6
121.10174	1.3
123.08105	0.5
123.11736	0.6
125.09673	0.4
129.07071	0.5
131.08597	1.4
133.10149	1.4
135.11681	0.6
137.09639	0.5
143.08571	0.5
145.10185	1.0
147.11739	1.2
149.09637	1.5
149.13316	0.4
151.11188	0.9
159.11711	0.7
160.12265	0.3
161.13298	0.6
163.11209	1.0
165.12794	1.3
171.11684	0.5
173.24524	0.3
175.11282	0.4
182.87306	0.3
189.11122	0.3
197.10454	0.3
223.13303	0.3
247.01323	0.3
247.20757	0.5
257.19061	0.6
275.20016	3.4
276.20325	1.6
277.21677	2.6
278.22061	1.4
293.21130	1.5
294.21371	0.6
295.22635	2.9
296.23132	0.9
331.18826	0.7
333.20352	5.7
340.30499	0.4
387.16394	0.5
388.17029	0.4
389.17459	0.8
391.19244	1.4
392.19803	0.5
401.17667	0.9
402.18790	0.5
403.19312	2.0
404.19965	1.1
405.20975	1.9
406.21686	0.5
407.22491	1.4
414.18613	0.4
415.19403	1.0
416.19980	0.9
417.16406	0.8
417.21619	1.8
418.17432	0.6
419.17661	0.6
419.23007	2.3
420.23062	1.1
421.24258	0.4
429.21069	1.5
430.17816	1.2
431.17874	2.6
432.19159	1.0
432.24069	0.5
433.20175	6.0
434.20575	0.7
435.21375	0.6
443.18030	1.8
444.18832	1.9
445.19684	3.3
446.21091	2.6
447.21909	4.1
448.22559	1.1
449.23618	0.7
457.20142	0.5
458.20721	5.2
459.21719	4.2
460.22748	4.2
461.23703	0.7
462.20752	0.8
463.21243	2.3
472.22449	0.4
473.23248	1.0
475.21393	1.5
476.22073	1.3
477.22833	1.5
485.23184	0.4
486.24146	0.6
487.25082	0.8
489.19257	0.5
490.23727	0.4
491.24377	0.5
504.25290	0.5
505.26428	0.5
517.21814	0.8
518.22772	4.2
519.23694	1.0
521.21875	1.3
530.23199	0.7
531.24054	1.3
533.25458	6.8
534.25745	0.5
535.27789	1.6
545.25348	3.9
546.26221	1.2
563.26349	4.5
564.27203	0.8
573.25037	0.6
577.28143	0.8
591.26746	0.5
605.27594	10.7
605.38135	1.0
606.28009	1.5
622.43933	0.6
623.28638	100.0
623.38672	6.7
624.28894	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
62.22249	0.3
65.24566	0.3
67.05499	0.7
69.07063	0.5
71.13279	0.5
73.37508	0.3
81.07072	1.1
82.36228	0.3
91.05488	0.8
93.07055	0.6
95.08625	0.7
98.20210	0.3
105.07062	0.8
109.10125	0.4
117.06995	0.4
119.08604	0.5
131.08592	0.6
140.55138	0.3
145.10045	0.3
154.38315	0.3
188.26778	0.4
331.18951	0.8
333.20428	0.4
388.17203	0.5
389.17804	1.1
390.18759	0.5
391.19223	0.6
395.28152	0.3
401.17719	0.6
402.18790	1.0
403.19461	1.6
404.20248	1.1
405.21027	1.3
415.19266	1.0
416.20154	1.0
417.17050	2.0
417.21097	1.7
418.17239	0.6
418.22083	0.8
419.18042	0.4
419.22473	4.2
420.22748	0.4
428.15878	0.4
429.16537	0.8
429.21915	0.6
430.17334	0.6
430.22095	0.6
431.17703	3.3
431.22992	1.6
432.19101	2.0
433.20035	2.5
435.22021	0.7
442.18140	0.8
443.18390	2.7
444.19476	1.3
445.20105	8.8
446.20923	4.1
447.22159	4.6
448.18982	0.7
449.23248	1.9
450.24600	0.5
457.20303	1.2
458.21136	1.1
459.21762	2.7
460.22678	0.7
461.19928	1.3
462.20746	1.5
463.21243	1.8
464.21176	0.4
473.23300	1.0
475.21512	1.4
476.22107	4.4
477.22928	5.5
478.23257	0.6
487.20926	0.5
489.23129	1.9
490.23651	0.8
491.24762	0.4
503.25040	0.5
505.21814	0.7
521.22113	1.2
531.24072	0.7
533.25507	12.5
534.25977	1.2
535.23969	0.7
545.26434	0.6
561.24921	0.5
563.26550	16.8
564.26556	1.6
591.25842	0.5
592.26849	0.5
593.27429	3.9
605.26483	1.4
623.28638	100.0
624.28992	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
58.74236	0.6
67.05502	0.9
70.36802	0.5
76.00603	0.6
79.05471	0.9
81.07037	1.7
87.47252	0.6
91.05471	1.1
93.07027	1.5
95.08599	1.2
105.07021	0.7
121.10116	0.8
123.03619	0.6
135.11768	0.6
160.23340	0.6
163.11134	0.7
211.31166	0.6
313.17758	0.7
315.19366	5.1
323.19479	1.7
331.18646	3.7
333.25146	0.7
339.13501	0.8
375.15948	0.6
389.17734	1.1
390.18570	1.2
391.19052	1.5
392.20068	0.9
393.20468	0.8
400.16238	0.8
402.18484	0.7
403.19220	2.0
404.15887	1.2
405.16409	0.9
405.20862	1.7
406.21362	1.8
407.22159	0.7
417.16544	1.7
417.21317	1.2
418.17178	1.3
419.18219	2.3
419.22342	3.0
421.23755	2.2
429.17029	1.2
430.17438	0.9
431.17978	1.3
431.22937	0.9
432.19183	2.1
433.20236	4.2
434.20865	1.7
435.21829	1.6
445.20145	3.1
446.20874	1.0
447.22787	3.5
448.22409	2.2
449.23355	4.7
457.20639	1.0
458.20773	1.8
459.21661	2.1
461.19415	2.2
462.20132	0.9
463.21118	1.9
475.20587	2.9
476.22110	5.6
477.22989	6.0
489.22482	2.7
496.31137	1.0
503.24707	1.2
521.21838	0.9
526.87500	0.7
533.25592	2.9
535.26453	3.7
545.25970	1.2
563.26501	20.8
564.26782	1.6
591.25854	1.0
605.27155	2.7
605.37115	1.3
622.37878	2.1
623.28296	100.0
623.38867	95.0
624.28595	6.8
624.39337	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.0
57.03419	7.3
59.41030	5.9
61.02926	24.2
67.05502	33.4
69.07075	9.5
73.02894	7.4
79.05496	31.4
81.07048	33.8
83.08615	9.8
85.02900	24.2
91.03967	12.0
91.05468	45.1
93.07030	32.8
95.04956	11.2
95.08566	25.7
97.02890	12.7
97.06547	9.1
105.07036	31.2
107.08566	13.6
109.06519	9.0
109.10153	13.3
117.07032	24.8
119.08559	21.2
121.10096	10.7
129.06987	35.0
131.08537	33.0
133.10120	14.5
137.77293	5.7
141.06993	15.2
143.08563	26.1
145.06502	11.1
145.10112	16.3
147.07974	7.8
150.15706	5.8
155.08507	21.2
157.10089	6.5
159.11737	9.8
167.08513	5.9
169.10115	11.8
171.11627	8.2
175.11185	5.9
179.08604	7.0
181.10057	12.9
183.11697	8.1
185.13274	9.8
209.13397	7.2
211.14864	7.9
221.13350	9.2
223.14868	8.3
333.22003	12.9
351.23184	50.7
369.24338	27.8
387.25140	12.9
425.26984	11.7
443.27875	100.0
450.33682	5.7
461.28934	74.9
623.32654	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95881	0.2
56.96503	5.0
56.96803	0.5
64.85509	0.2
69.63534	0.3
69.63918	0.5
71.95219	0.2
72.95961	0.2
88.95146	0.2
97.96746	0.3
98.22769	0.3
98.97563	1.0
107.33408	0.2
110.97552	1.6
112.99075	0.4
116.38724	0.2
116.98553	0.5
121.53716	0.2
128.98610	1.5
129.82712	0.2
131.00108	0.6
139.00632	0.2
143.00064	0.4
146.99681	1.0
149.01231	0.2
153.02165	0.8
157.01727	0.4
161.01129	0.4
162.97394	0.2
163.02646	0.2
165.02180	0.2
167.03708	0.7
169.01651	0.3
171.03300	1.5
175.02631	0.4
181.05350	0.5
183.03249	0.3
185.04819	3.3
187.06245	0.3
189.04243	0.7
191.05792	0.3
192.00861	0.4
195.06870	0.2
197.04868	0.3
198.01968	0.3
199.06422	5.1
203.04074	0.2
203.05887	3.2
205.01657	0.6
205.05476	0.2
205.07376	0.9
207.06837	0.4
208.04028	0.6
210.01901	0.5
211.06415	0.9
212.03481	0.3
213.07990	0.3
215.05806	0.3
217.05434	0.3
217.07440	4.9
219.03273	0.9
221.08507	0.4
222.08022	0.3
223.02779	1.7
223.06320	0.6
223.08441	0.6
224.03397	0.6
225.04214	0.4
225.07887	0.5
226.05148	1.1
226.06993	0.3
227.09547	0.4
229.07510	0.3
231.06833	0.6
235.10033	0.3
237.04314	3.3
237.07985	0.6
238.05026	0.6
239.09404	0.7
241.03619	0.3
241.07433	0.3
245.10699	0.2
246.04301	0.2
249.07773	0.6
251.05981	0.4
251.09326	0.3
252.06598	0.6
253.11041	0.6
255.05197	0.5
259.12164	0.2
262.08685	1.3
265.07379	0.4
265.11148	0.4
267.09100	2.0
271.12091	0.4
277.11096	0.4
279.08981	0.9
280.09790	3.0
281.10474	0.9
285.09961	0.7
289.14780	0.6
293.10403	0.4
297.10019	0.5
298.10922	0.9
299.11688	0.3
305.14096	0.4
307.15704	1.5
325.16568	0.6
331.15732	27.0
332.16183	0.9
333.18930	0.6
349.16833	100.0
350.17154	3.4
351.17169	0.3
367.17932	2.8
372.18457	9.7
373.18607	0.5
406.18735	0.3
462.21387	0.2
623.36145	43.1
624.36566	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.3
55.42867	0.2
67.05503	0.4
69.07050	0.2
69.83527	0.2
71.12235	0.3
81.07056	0.5
91.05484	0.3
95.04958	0.2
95.08614	0.2
100.46395	0.2
105.07078	0.2
135.84789	0.2
159.11751	0.2
181.27357	0.2
185.47978	0.2
202.33344	0.2
249.11076	0.4
315.19473	0.9
331.18750	1.2
405.20566	0.5
417.16727	0.3
432.19424	0.5
433.20126	0.7
475.20990	0.2
477.22821	0.3
519.23944	1.2
520.23383	0.2
563.26471	0.8
605.38336	0.2
623.29254	4.7
623.39056	100.0
624.28815	0.8
624.39380	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17587	0.3
53.03959	0.5
55.01879	0.9
57.03411	0.4
61.02927	0.6
68.99786	0.5
69.03419	2.0
70.06541	0.4
71.04971	0.4
73.02917	0.7
73.44975	0.4
73.73331	0.4
79.05490	1.3
81.03394	1.9
81.07047	1.2
84.08122	0.6
85.02900	4.6
87.00822	1.9
91.05490	3.4
94.04204	2.0
97.02895	2.3
99.04465	0.8
103.05469	0.9
105.01884	1.1
105.07021	6.0
106.33703	0.4
107.04942	1.3
109.02885	2.0
109.06509	1.8
115.05452	2.3
117.06973	1.1
119.08578	1.8
121.06448	0.7
122.03650	4.7
127.03923	3.6
128.06233	1.4
129.06990	2.6
131.04938	1.9
131.08554	0.7
132.05713	1.6
133.06465	4.9
137.05971	100.0
138.06317	1.4
143.04922	1.7
143.05972	0.6
144.05679	0.6
145.04959	2.4
145.06467	1.3
146.03606	0.8
147.04390	0.5
147.08040	2.2
149.05951	1.9
151.03989	0.5
151.07568	1.5
155.04884	1.0
157.06506	0.8
159.02876	1.1
159.08026	2.5
160.05197	2.5
161.05972	15.2
163.07506	2.4
167.07071	1.0
171.08115	0.6
172.05190	1.5
175.07542	31.2
176.07930	0.6
177.09116	0.7
179.07016	1.0
184.05177	0.8
185.05998	0.5
187.07535	16.1
189.06975	0.5
189.09108	2.1
190.07738	3.0
191.06795	0.6
191.08536	9.7
193.10275	0.5
199.07547	5.3
201.07030	0.4
202.07790	1.7
203.08543	3.0
205.06828	0.4
205.08502	2.3
207.08018	0.8
208.08899	1.1
215.08633	0.4
217.08664	1.5
218.07220	2.8
219.08035	14.9
219.10181	0.8
220.08788	2.3
231.05164	0.6
231.07994	4.1
232.08817	0.9
233.09724	0.6
235.07533	1.0
235.09662	2.8
236.08226	3.0
239.07030	0.6
247.07530	6.9
248.08296	3.2
249.09055	0.9
250.09975	0.5
251.10667	24.1
252.11089	1.0
253.08469	0.5
259.07541	2.1
260.08325	1.3
261.09158	1.1
263.10724	3.0
264.07791	1.9
264.74875	0.4
265.08563	1.0
270.08939	0.5
271.09561	1.0
276.07809	1.0
277.08597	1.8
279.10147	17.5
280.10806	1.3
281.08102	1.2
285.11252	0.6
291.10107	4.8
292.10959	2.3
293.08224	0.5
293.11655	0.5
296.10590	1.9
311.12753	54.3
312.13138	1.4
313.14331	1.0
317.06528	0.7
323.12775	10.6
325.14310	0.5
341.13812	8.7
471.78134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01860	2.0
57.03419	2.3
61.02914	1.0
69.03429	9.3
69.21404	2.5
69.21808	1.7
71.04990	3.8
73.02911	1.7
79.05493	1.5
81.03412	8.3
81.07082	0.8
85.02902	20.9
87.00819	6.8
91.05486	3.3
93.07021	1.2
94.04182	3.2
97.02888	6.3
99.04440	3.0
103.05437	1.8
105.01858	4.3
105.07037	5.2
107.04963	1.8
109.02901	7.5
109.06573	0.9
115.03869	1.0
115.05450	2.9
117.01846	0.8
117.07013	2.2
119.04911	1.1
119.08607	1.9
121.06473	1.8
122.03622	5.4
127.03918	14.0
128.06206	1.1
129.07007	2.1
131.04924	1.8
132.05733	1.1
133.06491	3.9
137.05975	100.0
138.06229	1.6
140.19514	0.7
145.04965	7.1
145.06485	1.4
145.10167	0.8
147.02953	0.7
147.04359	1.1
147.08069	2.9
149.05998	3.4
151.03955	1.2
151.07523	2.0
153.01817	1.2
159.02896	5.6
159.08083	2.8
160.05182	2.3
161.05991	14.6
162.06758	2.0
163.07579	1.4
172.05252	1.5
173.06004	1.6
175.07547	24.5
175.09076	1.3
177.09033	1.1
179.07085	1.6
181.42537	0.8
187.07521	9.2
189.03938	0.9
189.06897	0.9
189.09007	1.0
190.07787	1.8
191.08540	8.4
193.08542	1.8
199.07533	4.8
202.07713	0.8
203.06949	1.1
203.08620	1.5
205.08482	1.1
207.08043	1.0
208.08920	1.5
209.10083	0.7
217.08598	1.6
218.07341	2.2
219.08060	13.2
219.10031	0.6
220.08687	1.6
229.08644	0.9
231.05045	3.1
231.08032	3.6
232.09039	1.2
236.08316	2.9
241.08635	1.0
247.07596	4.5
248.08255	2.8
251.10655	21.1
259.07471	1.9
260.08310	2.0
261.09207	1.2
263.07382	0.8
263.10645	1.7
264.07928	1.5
276.07748	1.2
279.10165	16.5
280.10870	1.8
281.08167	0.9
285.03867	1.2
291.10181	6.1
296.10397	2.6
301.07077	1.5
302.04163	2.6
303.10117	1.2
309.11438	1.5
311.12753	45.7
312.13071	2.5
317.06528	25.8
321.11182	2.0
323.12756	20.1
333.11020	1.4
335.12634	3.9
337.14481	0.9
341.13934	4.9
342.13690	0.7
347.12653	1.1
353.13791	2.6
365.13931	1.2
377.13879	1.5
401.13788	2.4
419.14902	2.6
432.25427	0.8
437.15851	1.0
523.15607	1.7
531.33246	0.8
541.16742	2.2
559.18768	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03924	0.1
53.65797	0.1
55.01866	0.2
57.03434	1.9
58.05787	0.1
61.02645	0.1
61.02930	2.0
69.03429	0.3
70.06575	0.2
70.71114	0.3
71.04989	10.6
73.02902	0.6
73.86069	0.1
75.04469	0.5
79.45384	0.1
81.03401	0.3
83.04971	0.5
85.02900	13.4
87.04444	0.2
91.03945	1.0
92.02618	0.5
93.03410	0.7
97.02901	1.0
100.36884	0.1
103.03916	0.2
109.02876	0.2
111.04443	0.5
115.03905	0.2
115.78703	0.1
121.02866	0.6
123.18119	0.1
126.03127	0.3
127.03889	0.3
129.05476	3.3
137.02347	0.2
139.03906	0.7
145.04971	0.4
147.06544	1.1
151.03896	0.5
153.01816	4.8
163.03951	0.2
165.01833	0.5
177.05458	0.3
183.02838	0.2
194.96265	0.2
200.04774	0.1
201.05370	0.4
203.03358	0.3
217.04967	0.5
218.05814	0.3
228.04161	0.9
229.04951	2.3
231.02820	0.3
245.04524	0.4
246.05246	1.1
253.76036	0.1
256.03705	0.2
257.04431	2.1
260.03293	0.2
261.07608	0.2
271.06021	0.2
273.03909	1.3
274.04681	3.8
284.03284	0.4
285.03918	3.6
286.04617	0.2
288.06061	0.2
301.03632	0.2
302.04184	10.7
303.04468	0.4
317.06525	100.0
318.06885	3.8
479.11472	0.5
625.28180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97618	0.4
52.80173	0.5
52.80605	0.5
53.39788	0.5
66.71645	0.4
67.05496	0.6
69.35164	2.4
98.22861	1.0
103.82181	0.5
112.55642	0.5
182.09641	0.5
209.10686	0.8
211.56230	0.6
221.10811	0.8
237.13899	0.9
273.59091	0.5
298.13672	0.6
300.32596	0.6
313.15720	0.6
314.16373	0.5
325.15674	0.5
326.16559	1.0
333.20428	1.0
342.19666	0.5
372.17349	0.7
376.16916	0.9
377.17816	1.6
378.18735	1.2
379.18915	0.6
389.17908	1.0
390.18484	2.2
391.19116	5.1
392.19824	3.9
393.21204	1.4
403.19568	1.3
404.20322	2.3
405.20688	11.6
406.21512	4.2
407.22162	8.9
408.22623	0.8
417.20859	1.3
418.21548	1.5
419.22458	6.3
420.23059	9.5
421.17789	0.9
421.23828	12.1
422.17404	1.5
422.24628	1.7
431.18484	0.9
432.19006	0.6
433.24496	4.2
434.24631	4.8
435.18161	1.9
435.25354	1.4
436.19122	2.1
437.19708	1.7
445.20447	1.7
447.21704	1.4
448.26541	1.0
449.19885	2.1
449.26956	1.4
450.20557	2.2
451.21265	30.1
452.21951	4.2
460.22617	1.3
461.23221	1.9
463.21286	1.9
464.22311	3.4
465.22839	25.1
466.23584	6.4
473.19562	1.0
474.20270	0.5
475.25098	2.3
476.22150	0.8
477.26440	1.9
478.23880	2.0
479.24142	3.7
487.21140	2.3
488.22238	1.9
489.22644	0.7
491.19809	2.2
492.20728	3.0
493.26044	21.4
494.26627	4.4
501.22635	1.4
502.23557	0.7
503.24426	13.5
504.24765	2.6
505.22461	1.7
506.23105	0.6
509.21796	6.8
519.24048	1.4
521.25391	12.1
522.25824	0.9
523.23395	15.9
524.23694	1.3
537.24902	9.8
538.25739	22.3
539.26025	1.4
547.23456	5.0
548.23730	0.5
565.24347	11.7
566.24817	3.6
581.27673	6.0
607.25525	6.3
625.26514	100.0
625.40485	15.4
626.26831	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.35576	0.2
57.21693	0.3
67.05502	0.9
69.07066	0.3
69.60948	1.0
72.04569	0.3
79.05497	0.6
80.29603	0.3
81.07058	0.7
83.08627	0.3
91.05490	0.6
93.07069	0.5
95.08603	0.5
96.08137	0.5
98.22798	0.3
107.08601	0.5
115.86407	0.2
121.10159	0.3
127.03919	0.3
131.08426	0.3
143.08652	0.3
145.10162	0.3
152.14345	1.5
164.53261	0.3
183.09225	0.5
198.97543	0.3
220.65862	0.3
224.16484	0.3
275.20413	0.3
333.20651	0.3
350.30609	0.7
351.31036	0.3
372.60065	0.3
375.16003	0.4
376.16846	0.9
377.17618	1.0
379.19147	0.4
389.17651	0.6
390.18399	0.9
391.19150	1.7
392.19943	0.8
393.20541	0.7
404.20044	0.8
405.17001	1.3
405.21759	1.4
406.17502	0.3
406.22000	0.5
407.22473	2.8
417.17206	0.6
418.17816	0.9
419.18292	1.9
419.23276	0.6
420.19626	0.7
421.16428	1.0
421.21140	0.3
422.17209	0.5
423.18265	1.0
432.19763	0.5
433.20230	5.1
434.21588	1.6
435.17059	1.4
435.22180	1.6
436.18896	1.5
437.19745	2.4
447.22162	0.6
449.15289	4.6
450.16406	0.9
450.21231	0.7
451.21298	7.0
452.21997	1.2
463.17023	5.9
464.17844	2.9
465.18903	2.6
477.18829	3.7
478.19836	8.5
479.20688	9.2
480.20932	0.8
491.20908	3.6
492.21704	1.3
495.20200	0.4
503.17706	0.3
505.22083	2.2
506.22974	0.6
509.22086	0.3
510.22903	0.5
519.20984	0.3
521.25708	2.5
523.20313	1.1
527.23676	0.7
533.21954	0.7
537.24243	1.8
538.22534	0.3
550.22168	0.5
551.22937	0.6
565.24414	30.7
566.24725	3.2
581.27502	0.3
593.23993	1.1
597.26410	0.3
607.24976	0.5
624.42188	1.0
625.26501	100.0
625.40918	4.1
626.26874	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65388	0.6
70.65705	0.7
79.05481	0.6
81.07049	0.9
91.05476	0.9
105.07022	0.5
105.98215	0.5
121.06482	0.5
267.12970	0.5
315.19345	2.1
317.20923	3.3
318.20987	0.7
331.18661	1.1
333.20297	1.7
527.33850	0.9
587.65576	0.7
607.39404	3.4
625.40692	100.0
626.41046	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27827	0.5
66.12717	0.5
69.46146	2.2
79.05466	0.5
80.33934	0.4
81.07065	0.6
90.54375	0.5
95.00244	0.6
111.14397	0.4
143.34494	0.5
157.83545	0.5
173.55930	0.5
315.19440	1.6
333.20242	2.8
469.56458	0.5
625.40710	100.0
626.41052	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
67.05507	1.5
69.80862	1.5
69.81213	0.4
75.34061	0.4
79.05480	0.9
81.07059	1.2
83.08643	0.6
91.05484	1.0
93.07039	1.1
95.04992	0.6
95.08644	0.4
101.47044	0.4
105.07042	1.3
107.08621	0.6
109.10164	0.4
119.08578	0.6
121.10132	0.4
130.05521	0.4
131.08559	0.6
138.12697	0.4
145.10156	0.7
155.08649	0.5
159.11653	0.5
190.42972	0.4
293.29871	0.4
313.17566	0.5
315.19452	1.8
317.20743	2.1
331.18826	0.4
333.20569	2.0
349.19760	0.6
386.36215	0.5
406.46884	0.4
428.49448	0.5
475.20367	0.4
607.39160	2.4
625.40686	100.0
626.41052	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01850	2.8
57.03428	6.6
59.82898	3.0
69.03436	15.5
69.18133	18.1
70.06573	5.2
71.04987	6.3
81.03407	12.0
81.07043	2.8
85.02913	32.0
86.09705	2.9
87.00820	11.8
91.05456	14.2
95.05000	4.9
95.08582	4.2
97.02293	3.9
97.02869	19.0
97.07643	3.5
99.04451	4.3
105.01852	8.7
105.07021	2.9
107.04981	3.8
109.02872	15.7
109.06523	3.8
109.07679	2.8
110.07144	4.0
119.04910	7.8
121.06490	4.3
123.96971	2.8
127.03897	18.4
129.07001	7.4
131.04938	3.3
131.08560	5.2
132.05676	3.2
137.05983	76.5
145.04970	9.5
145.06471	2.8
149.05984	8.4
151.03889	3.4
151.07532	53.2
157.06519	5.4
159.02840	3.9
159.08087	3.7
160.05228	3.8
161.05994	14.4
163.07578	16.9
163.11125	2.6
165.06949	2.9
167.07123	3.1
167.08508	4.1
174.06773	8.7
175.07532	12.1
177.05402	6.4
177.09113	8.2
187.07587	3.5
189.09122	29.0
193.10117	5.8
195.08049	11.9
195.10114	4.4
201.09102	6.3
203.08670	3.0
203.10603	4.8
206.05685	5.5
207.06538	5.5
207.10167	6.0
209.07961	5.6
211.07475	3.3
219.10129	36.1
221.06012	4.6
221.09641	5.8
223.07539	7.3
225.09158	3.7
227.10660	17.7
240.07892	2.9
252.07793	3.1
253.08678	5.0
253.12274	9.2
255.10068	13.9
261.11243	5.0
283.15540	4.1
284.10648	3.2
284.15872	6.3
285.11227	11.2
285.16998	3.0
286.12381	2.9
287.12695	20.8
297.11209	5.3
299.12848	9.0
311.12744	8.6
313.14291	22.3
317.06522	8.0
318.06754	13.3
331.15387	100.0
332.15793	5.0
341.13751	5.2
343.15369	30.6
355.15372	4.5
367.08234	15.3
397.16501	3.5
399.10709	8.3
421.16327	8.7
429.78394	3.1
439.17499	4.4
443.84354	3.0
525.17657	4.1
543.18768	7.1
626.21381	5.4
626.36530	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
53.35557	1.2
55.01872	5.6
57.03442	4.6
59.13779	1.3
61.02917	3.4
68.99810	1.7
69.03431	23.0
69.31786	7.8
70.06589	2.2
71.04996	2.9
73.02915	3.7
75.95411	1.3
81.03411	18.2
81.07057	1.6
85.02911	52.0
87.00341	2.4
87.00835	25.7
91.03937	1.5
91.05486	9.9
93.07040	1.4
95.04955	1.6
97.02899	16.8
99.04429	8.7
103.05473	4.1
105.01872	16.6
105.07020	1.3
107.04930	3.6
109.02897	15.0
109.06550	3.1
115.03952	3.1
117.01878	2.0
117.07018	2.4
119.04955	5.7
121.06504	2.9
122.03649	4.0
123.08004	1.3
124.05150	1.4
127.03922	27.6
129.07039	5.0
131.04951	9.7
135.08069	2.4
136.05232	2.1
137.05986	78.2
138.06313	3.2
139.06589	1.3
145.04965	9.6
145.06459	1.4
147.02881	1.8
147.07968	2.0
149.05974	6.3
151.03906	4.8
151.07553	46.7
151.08743	2.8
157.06477	4.1
159.02873	7.6
160.05086	1.6
161.05966	14.7
161.09599	1.7
162.06702	1.4
163.07558	30.7
165.07002	1.8
165.09138	1.5
167.08598	3.0
171.08051	1.4
174.06761	3.0
175.07567	14.3
176.07898	2.3
177.09117	44.1
181.06529	1.5
187.07593	3.2
189.09119	15.4
193.06503	3.0
193.10172	3.9
195.08080	7.8
195.10057	3.6
197.06055	1.4
199.07596	1.7
203.06984	2.9
207.08258	1.3
207.10185	3.6
209.08070	4.8
209.09789	2.6
211.07565	1.9
213.09068	1.6
219.05000	2.4
219.08232	2.1
219.10231	4.0
221.05986	3.2
221.09604	4.9
221.11745	8.1
222.06476	1.5
223.07526	3.6
224.08496	1.7
225.09068	4.4
227.10684	11.2
228.11206	1.4
231.04990	4.7
231.10201	2.1
237.09088	2.4
239.10715	2.7
249.05968	1.8
249.08960	2.6
249.11263	5.3
250.06342	1.3
251.10732	3.0
253.08592	6.8
253.12276	6.6
255.10181	12.8
261.11432	1.5
265.08636	3.0
267.10199	2.9
269.08096	3.0
272.10504	1.6
273.11340	2.6
279.10217	3.2
280.10352	1.5
281.11713	3.2
284.10565	2.5
285.11279	9.6
287.12778	18.1
293.11783	4.4
297.11249	4.8
299.12869	9.3
305.11426	2.4
309.11069	2.5
311.12848	13.4
312.13217	1.7
313.14276	18.7
321.11310	2.0
323.12674	3.2
325.14188	2.9
331.15405	100.0
332.15775	4.3
335.12845	2.3
341.13730	1.8
343.15457	29.2
353.13797	3.3
355.15308	7.0
365.14041	1.8
367.15289	5.6
377.13736	1.4
379.15454	3.0
385.16238	2.0
397.16345	6.0
403.15640	1.4
419.12827	1.8
421.16464	9.8
439.17429	5.8
507.16351	2.0
525.17542	2.8
525.30164	1.5
543.18817	7.3
561.19507	5.8
595.37274	1.4
626.30597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01868	8.4
57.03423	3.7
61.02927	2.3
63.76530	2.2
67.05502	4.5
68.99777	2.3
69.03422	14.6
69.07034	2.4
71.04986	2.8
73.02924	3.7
79.05479	11.0
81.03423	16.2
81.07047	5.8
83.04983	2.4
83.08636	2.5
85.02901	45.3
87.00826	21.6
91.05453	11.2
93.07053	6.9
95.04974	7.0
95.08598	3.3
97.02879	22.5
99.04466	6.2
103.05472	7.2
105.01859	23.2
105.07028	12.8
106.37627	1.7
107.04959	3.6
107.08624	3.1
107.98524	1.7
109.02864	21.3
117.06960	4.3
119.04951	2.7
119.08577	4.3
120.22249	1.9
121.02869	2.0
121.06521	7.4
121.64861	2.1
122.03664	2.7
122.58844	1.9
123.04401	4.8
127.03904	31.6
129.07002	3.0
131.04948	21.3
131.08540	4.2
133.06485	37.1
133.10144	6.3
135.04408	100.0
135.08054	7.0
136.04721	1.9
137.05975	75.6
138.06319	2.9
143.08548	2.0
145.04939	14.7
145.06487	6.9
145.09981	2.2
147.04399	5.4
147.07950	2.2
149.05989	15.6
151.07536	16.9
157.06459	4.0
159.02930	7.0
161.05981	22.3
163.03795	2.1
163.07529	29.7
167.07079	2.7
171.08125	5.8
173.06013	4.6
175.03952	5.4
175.07594	6.5
175.11166	2.6
177.05478	5.3
177.09109	4.9
179.06992	3.0
181.08685	2.7
187.07541	4.0
189.03795	2.0
189.09137	9.1
191.62805	2.3
193.12189	2.7
201.09084	5.7
203.10733	6.5
207.06480	12.8
227.07138	2.4
229.08577	2.1
231.05031	9.9
238.08563	2.2
263.10397	2.4
267.15994	17.9
285.17044	4.1
293.11661	13.5
295.13293	6.1
325.14343	72.8
326.14651	3.1
343.15430	18.5
349.14316	3.5
367.08035	10.2
367.15512	4.1
399.10806	5.7
433.16345	3.5
451.17163	2.9
509.90988	2.5
531.35522	2.1
531.46106	2.2
626.28217	8.8
627.20166	3.4
627.29785	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
53.55838	1.0
55.01868	4.7
55.05497	1.3
57.03424	2.8
61.02918	2.5
64.17907	0.8
67.05474	1.2
68.99782	2.2
69.03427	15.5
69.07064	1.2
70.06585	1.3
71.04978	2.2
71.46435	1.0
73.02904	2.6
79.05460	1.3
81.03417	15.2
81.07032	1.3
84.08128	0.9
85.02901	42.8
86.03210	1.2
86.09726	0.9
87.00825	15.9
91.03957	1.3
91.05462	9.5
93.07036	1.6
94.04162	1.0
95.04956	3.7
97.02883	18.7
99.04447	6.0
103.05441	1.6
104.88291	0.8
105.01864	14.1
105.07018	2.6
107.04958	3.2
109.02872	12.4
109.06516	2.0
115.03915	3.0
117.01845	1.5
117.07027	1.7
119.04944	7.1
121.06470	1.2
122.03657	3.6
123.08095	1.4
127.03017	1.7
127.03905	22.9
129.01868	2.5
129.07037	4.7
131.04944	7.0
133.06490	1.1
135.08073	2.5
137.05968	67.9
138.06355	2.5
143.04915	1.2
145.04932	8.4
145.06482	1.7
147.02831	1.3
147.04440	1.5
147.08051	1.0
149.06029	4.4
151.03967	4.4
151.07533	43.2
157.06477	5.6
159.02884	5.9
159.07983	1.1
160.05182	1.0
161.05998	13.9
162.06622	1.7
163.03920	1.1
163.07539	19.2
165.06929	1.4
165.09111	2.6
167.08566	3.6
171.08051	1.2
174.06741	2.2
175.07512	10.8
177.09106	16.3
178.07770	1.3
181.06390	2.3
181.08643	1.2
187.07539	2.4
189.09106	13.9
191.07028	1.9
191.08678	1.0
193.06488	2.0
193.10114	2.0
194.07091	1.2
195.08031	7.0
195.10130	2.4
196.08838	0.9
201.09081	1.6
203.07034	2.9
207.10158	3.6
209.08046	2.6
209.09698	1.7
210.06743	2.0
211.07397	0.9
212.08232	1.0
213.09042	1.3
219.08197	1.5
219.10187	2.7
221.05952	2.6
221.09570	4.8
221.11771	2.7
223.07520	4.3
224.08298	1.3
225.09142	2.9
227.07066	1.3
227.10660	13.1
229.08510	1.0
231.04956	3.2
235.07358	1.1
236.08275	1.1
237.09036	2.3
238.06258	1.3
240.07764	1.2
241.12245	1.0
249.09018	2.0
249.11250	3.6
250.09669	1.8
251.10674	2.1
252.10883	1.0
253.08580	5.7
253.12152	7.2
254.09387	1.1
255.10133	14.0
256.11005	1.1
261.08929	1.6
261.11292	1.6
265.08560	2.9
265.12152	1.0
267.10056	3.1
269.07999	2.1
269.11826	1.3
272.10364	2.5
277.08661	1.3
279.10190	2.2
281.11584	2.7
283.09845	1.2
285.11255	9.6
287.12793	22.1
293.11676	1.0
297.11124	3.1
299.12836	7.2
301.14349	1.1
305.11658	1.4
309.11154	2.2
310.11771	1.3
311.12747	10.2
312.13046	1.4
313.14304	17.4
315.12015	1.1
320.10242	1.0
321.11139	1.6
323.12704	2.2
325.14273	2.4
331.15372	100.0
332.15698	3.8
335.12854	2.3
337.14297	1.8
341.13852	2.7
343.15384	23.1
344.15921	1.3
347.12646	1.4
349.14450	1.0
353.13791	1.6
355.15332	7.9
357.91531	0.9
367.15421	5.3
379.15186	1.9
385.16217	2.2
389.13638	1.5
397.16714	5.0
403.15598	1.6
407.12936	0.9
419.13086	1.2
421.16367	8.6
439.17740	4.3
507.17010	1.3
525.17200	3.5
543.18469	5.2
544.18372	1.2
561.19843	5.0
574.59363	0.9
624.70660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85558	0.4
66.58683	0.4
67.05511	0.6
69.03442	0.6
69.07072	0.9
70.06609	0.4
78.34911	0.4
79.05481	0.4
81.03400	0.5
81.07053	1.0
83.07558	0.5
85.02911	0.8
86.06064	1.6
86.09711	2.4
91.05515	0.5
95.04975	0.7
95.08624	0.7
98.06094	0.4
98.09715	0.6
105.07066	0.8
106.28594	0.4
107.08607	0.6
109.61636	0.5
121.06528	0.5
127.03918	0.6
131.00899	0.5
132.04659	0.4
136.11264	0.5
137.05870	0.5
154.15797	0.5
158.11847	0.6
173.87013	0.4
181.13338	0.5
187.11108	0.5
209.12871	0.7
210.13226	0.5
212.16524	0.9
224.55276	0.4
238.18013	0.6
246.09566	1.2
252.15831	1.2
256.19055	0.9
289.17844	0.6
300.14185	19.5
301.14459	0.6
307.09872	0.5
310.23837	1.0
326.11023	0.6
329.16013	0.6
350.23129	1.7
352.09250	0.6
379.24805	0.8
396.20038	0.5
398.21530	2.5
406.29611	0.7
414.21045	13.0
424.30341	2.3
446.28787	1.9
456.25635	1.1
456.77036	0.5
477.29218	0.5
512.28387	16.0
513.28510	0.6
528.27991	1.2
540.30377	0.6
590.37341	1.0
605.78046	0.5
626.35107	100.0
627.35565	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
57.03439	0.6
68.05046	0.6
69.03433	0.7
69.07054	0.6
69.41871	0.6
69.42274	1.4
70.06583	0.5
71.05009	0.4
78.20725	0.4
79.05489	0.9
81.07046	0.8
85.02914	0.8
86.06066	1.7
86.09715	2.7
87.10042	0.5
91.05447	0.5
93.07040	0.6
95.08597	0.5
98.06090	0.4
98.09691	0.6
98.23505	0.4
105.07052	0.4
107.08634	0.6
119.08624	0.4
119.35859	0.5
121.10222	0.6
137.05904	0.6
142.12314	0.5
158.11826	0.5
176.04749	0.4
181.13315	0.8
181.75049	0.4
202.53378	0.4
203.05293	0.7
209.12935	0.4
210.50116	0.4
212.16380	0.7
238.18056	0.6
246.09532	1.5
252.15797	0.7
256.19159	0.7
265.17828	0.7
270.09509	0.5
285.51917	0.5
299.10767	0.4
300.14172	19.5
310.23795	1.4
325.10855	0.9
332.21988	0.9
350.22961	2.1
379.24634	1.7
396.19879	0.8
398.21631	2.6
403.24524	0.5
414.20959	14.0
424.30670	2.1
428.27881	0.6
446.29099	1.3
477.28937	0.5
512.20490	0.7
512.28296	14.1
513.28259	0.5
528.27985	1.2
590.37634	1.0
608.34052	0.5
626.35071	100.0
627.35950	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70294	0.3
55.05509	0.4
56.05034	2.0
58.06596	0.6
59.10365	0.4
67.05500	0.8
68.05032	0.6
69.03416	0.6
69.07056	1.0
70.06591	41.0
71.04994	1.1
73.94158	0.3
74.06079	6.2
79.05497	0.8
81.03416	0.8
81.07043	1.5
83.04998	0.5
84.04502	4.7
84.08119	0.6
85.02908	0.6
86.06071	0.4
86.09703	100.0
87.09222	0.8
87.10042	1.1
91.05435	0.4
93.07059	0.9
95.04958	0.7
95.08585	0.8
96.04526	0.4
96.06889	0.5
96.08145	0.9
97.02869	0.6
97.06548	0.4
97.07644	3.0
98.06052	0.7
98.09712	0.7
101.07171	0.5
105.07044	1.0
107.08572	0.4
109.07619	1.0
109.10175	0.4
112.11238	2.4
113.07130	1.0
114.10325	0.7
115.08687	46.0
116.09032	0.6
119.08154	0.8
123.11713	0.4
125.07136	1.0
125.10770	0.7
126.09161	1.8
126.10166	0.6
127.03967	0.5
127.08669	0.7
130.05002	0.9
138.12782	1.2
139.28096	0.4
139.83051	0.4
141.10220	4.8
142.12263	5.2
143.08386	0.4
145.10100	0.9
147.07867	0.4
151.07576	0.6
152.10699	1.8
153.10262	1.7
154.15855	2.4
155.08195	0.8
157.13361	14.0
157.44153	0.3
165.13882	0.5
167.11899	0.4
169.13332	2.2
170.12947	0.7
171.11285	4.3
172.10780	0.8
173.09557	0.7
180.11331	0.8
180.96997	0.4
181.09750	0.7
182.09276	2.1
182.16574	1.1
183.14932	3.8
185.12851	11.8
187.11247	0.4
187.14430	3.3
193.13377	3.0
195.11382	0.5
197.12878	2.9
198.12363	7.0
199.18044	15.6
200.17639	0.3
201.08836	0.5
208.14529	0.9
209.16498	0.5
210.15991	3.9
211.14430	0.9
213.12335	0.5
213.16061	0.8
215.13850	4.2
216.13420	11.4
223.14415	0.7
225.19603	2.5
226.11967	0.9
227.17531	15.1
228.16977	2.8
229.15469	0.4
233.11726	0.6
238.15601	1.2
240.17123	0.6
241.15498	0.7
242.15082	0.5
250.15622	0.9
252.13881	0.4
253.19159	2.0
254.15080	0.6
256.16602	1.2
266.18637	0.6
267.18317	0.8
267.24237	0.8
268.16550	2.5
276.17096	0.4
278.22348	0.4
279.20703	0.6
280.20377	0.6
283.20660	0.5
285.19330	1.1
286.17563	2.8
293.19815	0.8
295.23892	0.4
298.21210	8.9
298.24539	0.6
306.21863	0.6
310.21298	0.9
311.20789	3.8
321.19122	0.4
324.00262	0.3
324.22891	0.7
325.27588	0.4
328.22498	0.4
329.21835	4.5
341.25516	0.5
353.25357	0.5
354.23917	0.5
363.24088	0.4
364.23169	0.5
366.27554	0.5
381.24899	2.7
382.24368	1.6
383.30124	3.4
384.30212	0.4
398.27838	0.4
399.26041	3.0
400.25452	3.8
411.29721	3.1
412.29349	0.8
424.29324	1.1
442.30466	0.7
446.28943	0.5
449.31470	0.5
460.28540	0.4
460.82004	0.4
466.34137	0.4
467.32782	0.8
468.31790	0.5
484.34930	1.6
490.91626	0.4
494.33380	3.4
495.33282	1.4
512.34534	4.3
513.33923	6.3
514.33990	0.5
525.37976	0.8
553.37024	0.8
582.39301	0.6
590.40057	0.5
598.42853	1.4
608.41235	10.1
609.30408	0.5
609.39978	2.4
610.39893	0.5
626.42389	83.2
627.20349	0.6
627.29614	2.4
627.42743	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83497	0.5
55.05507	2.7
56.05035	5.6
57.07088	0.5
58.06602	100.0
59.06940	1.0
67.05502	1.4
69.07060	0.9
81.07050	0.7
83.06104	5.8
83.08617	3.6
84.04505	90.3
85.04839	0.6
86.09708	12.2
95.08624	1.2
98.23419	1.4
100.11256	2.9
101.07141	93.4
109.10150	0.6
113.07110	0.8
118.12296	20.3
128.10722	4.2
129.06589	2.9
130.05045	0.6
141.06564	1.2
150.87476	0.4
152.10693	1.1
169.13414	1.3
180.06584	2.9
189.79120	0.5
196.14426	6.8
197.12834	6.7
213.19633	3.6
214.11942	2.5
214.15530	4.6
218.00006	0.5
218.44868	0.5
224.13988	2.6
231.20686	6.6
240.23238	7.3
242.15025	4.2
268.22714	27.6
269.23022	0.8
293.54007	0.6
323.24130	1.5
324.19299	0.6
324.22794	5.7
341.25409	7.1
342.23648	1.7
359.26471	4.3
368.29010	0.7
396.28583	62.7
397.28506	2.2
450.16833	0.7
451.17160	0.9
480.20950	0.9
481.37033	0.6
509.36975	5.2
545.22949	0.6
566.24908	4.4
608.47595	10.3
609.47205	0.5
626.25928	2.2
626.42297	7.4
627.26965	1.2
627.42395	1.0
636.70911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
93.06891	1.1
121.09877	0.6
132.07892	0.8
134.10371	0.7
135.79620	0.6
158.08064	0.7
163.96147	0.6
189.09967	0.7
203.66089	0.6
209.10440	0.7
221.10445	0.7
223.12119	0.7
235.11943	1.0
236.12946	0.9
237.13837	0.7
238.14514	0.9
249.13655	1.3
251.15337	1.1
260.70322	0.6
262.13226	0.7
302.12793	0.7
318.15683	1.6
326.16238	0.8
340.17685	0.7
352.17880	1.6
353.17465	2.7
354.18561	1.2
365.17560	1.9
366.18909	1.3
367.14960	0.9
367.19315	3.5
368.20322	1.0
369.21246	0.8
376.88556	0.7
379.18912	1.9
380.20578	1.1
381.16797	2.1
381.20621	2.0
382.21738	1.1
383.17938	1.0
383.22052	2.8
393.16733	0.8
393.21115	0.9
394.17310	0.8
394.21841	1.5
395.18381	2.2
395.22284	2.0
396.19226	1.2
397.20352	3.0
405.17215	0.7
407.18491	2.0
408.19189	1.1
409.20377	3.2
410.20667	2.1
411.22092	5.5
412.23029	3.2
421.20111	1.3
422.20734	2.6
423.22174	5.2
424.23126	3.6
425.19775	11.2
426.20520	0.9
433.19775	0.7
435.21579	1.0
436.22156	1.5
437.24030	5.1
438.20230	4.8
439.21204	9.1
440.22168	7.8
441.22913	1.0
451.21100	0.9
452.22940	0.9
453.22546	5.0
454.24582	3.2
455.25394	1.0
461.23502	0.8
466.23154	0.9
467.24646	1.4
468.25366	1.2
469.21860	2.7
469.26126	2.3
470.22598	3.2
479.20868	0.8
481.22311	2.4
482.22916	1.3
483.23621	4.3
493.22427	0.8
494.22964	1.0
495.23718	2.1
496.24072	2.6
497.25229	17.0
498.26782	6.1
508.24643	1.4
509.25620	3.7
511.23166	3.4
523.26898	1.1
524.23615	1.3
525.25012	5.4
526.25800	4.8
527.25385	1.0
539.26221	0.9
540.26935	0.8
541.28094	14.4
551.26587	2.4
556.23492	1.8
557.27667	1.2
569.23926	1.5
583.29150	14.4
584.26135	12.5
585.27045	100.0
586.27448	5.5
599.28528	1.7
627.28119	69.9
627.42072	6.9
628.28418	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.49423	0.9
57.01633	1.0
60.93771	0.9
67.05514	1.0
67.92204	0.9
69.28132	1.9
69.28515	3.4
79.05487	1.6
93.07026	1.8
105.07042	1.2
114.68684	1.2
131.07365	1.7
137.30650	1.3
146.09737	1.1
174.09169	3.2
187.12354	4.6
188.10779	2.4
197.10773	1.3
213.10135	1.2
215.11835	2.5
224.09428	1.8
225.10214	2.6
227.11818	3.3
235.08594	1.8
236.09267	1.3
239.11879	2.7
241.13399	2.2
243.11273	24.7
249.10178	2.8
251.11891	2.1
253.09889	1.9
267.11288	8.9
269.12726	2.4
277.09784	3.0
285.12323	2.2
293.12994	1.2
295.10861	3.7
301.12442	1.2
301.15680	2.1
319.10498	1.8
320.14008	1.6
322.12628	1.1
325.15396	10.1
327.13553	3.5
328.10931	2.0
328.14700	2.1
329.11475	1.8
330.12479	3.0
331.16159	1.2
342.12436	4.1
343.13275	3.6
344.14050	3.3
345.14618	1.4
346.15695	2.2
348.13315	5.9
349.16934	1.6
356.13995	4.8
357.14774	1.5
358.15631	3.1
368.14133	1.5
370.15814	1.9
371.16193	2.0
372.17273	4.9
374.14981	1.4
386.14783	2.5
391.78391	1.2
400.16592	3.4
418.17697	1.3
432.19257	3.8
435.14072	1.8
437.19940	2.2
447.22543	2.0
449.15634	2.2
450.16501	2.3
452.21945	1.4
460.18854	2.6
461.23526	2.7
462.24704	1.8
463.21255	3.6
465.18842	17.4
478.19794	1.8
479.20511	6.9
480.21664	5.8
481.22256	4.4
489.22794	2.7
490.20175	2.1
492.21463	2.9
493.22498	3.1
494.22864	1.4
504.21078	1.8
507.24503	5.4
508.21243	1.2
517.22668	2.5
535.23450	8.4
549.24799	14.4
550.25031	1.6
567.25977	88.6
568.26331	3.9
577.24658	1.6
595.25476	100.0
596.25604	4.8
627.28033	66.0
628.28296	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.48195	0.4
55.01856	0.5
56.78332	0.4
69.81168	1.4
70.02960	0.5
81.17229	0.5
91.05547	0.7
94.06582	0.6
98.22841	0.6
118.06593	0.5
119.49371	0.5
120.04485	0.6
120.08199	0.5
122.05956	0.4
130.06573	0.5
136.07578	1.3
146.09691	1.2
173.08372	0.5
174.09132	4.0
181.09001	0.5
186.09212	0.9
187.08702	1.4
187.12340	3.9
188.10800	2.2
197.10789	1.2
199.08638	1.1
209.10657	0.6
211.08713	1.6
211.12309	1.2
212.09425	0.9
213.10187	0.6
215.11813	3.0
221.10693	0.6
223.08691	1.1
224.09404	1.3
225.10138	2.6
226.11040	0.6
227.11775	3.3
235.08771	1.1
237.10291	1.5
239.11774	2.6
241.09789	0.6
241.13464	2.1
243.11276	21.9
244.11681	0.6
248.09598	0.5
249.10300	1.3
250.08665	0.6
251.08237	0.5
251.11795	1.7
252.09079	1.2
253.09753	2.1
263.11734	0.7
265.09836	0.7
266.10669	0.6
267.11255	6.8
269.09338	0.5
269.12872	2.4
277.09766	2.1
279.11386	0.7
281.12976	0.6
284.11749	0.5
285.12335	2.5
291.11246	1.2
293.12753	0.7
295.10648	3.1
297.12537	0.5
299.14108	1.1
300.15060	0.5
301.15512	2.7
302.13092	0.9
303.14017	0.6
304.11063	0.9
309.12405	1.7
311.14111	0.9
314.13046	1.9
316.10883	1.0
316.14407	0.6
318.12347	0.7
319.10602	1.4
325.15491	7.2
326.12894	0.6
327.13333	4.6
328.10803	1.4
328.14444	1.6
329.11783	1.9
329.15378	0.7
330.12399	3.4
330.15884	0.8
331.13013	1.1
332.13855	1.0
332.17581	0.7
334.15622	1.4
340.14651	0.6
341.11539	0.7
342.12387	2.8
342.16104	0.9
343.13113	2.6
344.13858	2.7
345.14902	1.1
346.15512	1.5
348.13409	3.2
351.13574	0.9
354.12375	0.7
355.13385	0.8
356.13895	3.7
357.14758	1.5
358.15463	2.8
359.16412	0.6
360.17264	0.6
370.15588	2.0
371.16473	1.1
372.17026	4.2
373.13928	0.9
374.14917	0.9
382.15582	0.9
384.13202	0.7
384.17459	0.9
386.14960	2.0
386.18799	1.7
388.15866	0.5
392.17578	0.8
398.15128	1.1
400.16760	2.2
402.19052	0.6
403.15723	0.7
405.17319	0.5
406.15744	0.7
414.18469	0.7
416.16263	0.9
417.17279	0.8
418.17633	1.5
419.19168	1.0
420.16699	0.9
421.16830	0.7
422.17477	0.9
423.18579	0.7
430.17633	1.6
431.18503	1.2
432.19568	2.9
435.13916	1.1
436.19965	1.1
437.19836	2.4
444.19281	1.0
445.20621	0.7
446.20346	0.6
447.22748	3.1
449.15393	1.1
450.20770	0.7
451.17578	2.0
460.18936	1.3
461.23242	1.9
462.24817	2.7
463.17093	0.7
463.22003	2.7
464.18698	1.3
465.18793	11.0
466.19528	1.2
476.20313	0.6
477.18759	1.0
478.20068	2.2
479.20569	5.4
480.21530	4.2
481.22321	3.2
489.22787	2.0
490.20059	1.1
492.21356	2.4
493.23129	2.7
494.23102	0.6
504.21347	1.6
506.23364	1.0
507.24060	3.8
508.21646	1.6
517.22461	1.5
518.22015	0.7
520.21216	0.9
521.25665	0.5
522.23114	0.6
524.24078	0.6
535.23346	4.6
536.24384	0.8
537.21149	0.7
549.24921	10.3
550.24158	0.7
552.23419	0.7
553.24713	1.7
563.22626	0.7
567.26007	49.4
568.25909	2.8
577.24249	1.4
595.25464	35.2
596.25806	1.7
627.28076	100.0
628.28455	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96519	17.9
56.96829	1.2
63.84407	0.3
71.95219	0.9
72.95987	1.0
74.52912	0.3
74.97591	0.5
75.59476	0.3
84.95994	0.5
97.96808	0.5
97.99143	0.4
98.22781	0.4
98.97540	0.6
105.00107	1.0
110.97576	2.5
115.00635	0.5
115.97841	0.5
116.98608	0.3
123.01134	1.3
128.98593	1.8
132.74896	0.4
133.98840	0.3
137.02704	1.3
141.02171	1.0
143.00124	0.5
146.99577	0.9
153.02118	0.5
154.09882	0.4
155.03712	1.1
157.01669	0.5
159.03218	0.9
165.00801	0.4
165.02107	0.4
167.03780	0.8
168.17169	0.3
169.01628	0.6
169.05377	0.5
171.03259	1.2
171.06851	0.8
172.61922	0.4
173.04892	0.7
177.05719	0.4
179.07379	0.3
181.05333	0.5
183.03252	0.5
185.04800	2.1
189.04254	0.9
189.07971	3.8
190.05128	0.4
193.05330	0.6
195.06911	0.8
196.06355	0.3
197.04840	1.1
197.08482	0.6
199.06444	1.8
201.04353	0.4
201.07855	0.8
203.05902	2.1
203.09547	0.4
205.07346	0.6
205.09041	0.5
207.06918	0.8
207.09026	1.3
209.08575	0.6
211.06380	1.1
212.09552	0.5
213.07935	1.3
215.05830	0.9
215.09500	0.7
217.07364	1.5
219.06857	1.0
221.08530	1.0
223.10168	0.7
225.08038	2.7
225.11623	0.3
227.05669	0.3
227.09494	0.6
229.07417	1.0
229.11232	0.4
231.09030	1.2
233.08516	0.4
235.06335	0.5
235.10007	0.3
237.07974	4.6
239.09627	1.8
243.08954	1.7
243.11224	0.7
251.09569	1.6
253.11198	1.6
255.08920	1.9
257.10522	1.1
263.09448	0.5
269.10669	0.5
271.12265	0.5
272.11725	0.3
277.11148	0.4
277.14627	0.4
279.16037	0.4
281.10565	0.5
295.12155	0.5
305.17773	0.5
307.19565	0.4
315.16190	2.2
333.17349	46.2
334.17673	1.5
349.17081	0.3
351.18423	100.0
352.18710	3.4
356.19077	0.8
369.19510	22.4
370.19897	0.5
374.20023	17.2
375.20218	1.1
392.21072	1.3
408.20871	0.5
415.22565	0.6
427.17490	0.3
465.18765	0.4
549.25275	0.6
567.26031	3.2
595.25562	0.9
616.60962	0.3
627.39276	76.8
628.39618	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96428	9.2
56.96744	5.1
69.08234	0.2
69.76186	0.2
70.45869	0.3
71.95110	0.9
72.95937	0.6
72.96289	0.3
84.95913	0.6
97.96635	3.3
97.99026	0.3
98.97443	0.6
105.00027	0.6
110.97397	6.2
110.98211	0.6
115.97652	1.7
116.98465	0.5
123.01105	0.5
124.98952	0.4
128.98410	8.5
133.98740	0.6
137.02570	0.8
138.99283	0.3
142.99974	1.3
144.40744	0.3
145.01605	0.3
146.99638	4.9
151.04138	0.8
152.00058	0.6
155.03648	0.5
161.01187	1.8
165.00639	0.5
167.03621	0.3
169.05281	0.5
170.01094	0.3
171.03249	1.4
172.03966	0.5
175.02617	0.9
176.03345	0.8
179.02177	0.3
181.05151	0.4
183.03239	0.4
183.06854	0.3
185.04698	0.9
187.02684	0.4
189.04189	0.9
190.05099	1.9
191.03665	0.3
191.05544	0.3
199.06343	0.4
203.05794	1.4
204.06520	0.9
205.07280	0.7
207.06822	0.4
208.06094	0.5
209.08357	0.3
213.07883	0.4
214.92313	0.3
219.08873	0.4
221.06721	0.4
222.07581	0.5
223.06215	0.3
223.10110	0.4
225.07901	0.4
226.08806	0.3
227.09476	0.7
231.09052	0.4
240.10310	0.3
241.11096	1.5
245.08342	0.7
245.10504	0.4
252.10376	2.1
257.46735	0.3
259.12219	1.6
263.09500	3.5
264.10223	0.7
265.11069	0.4
270.11331	0.9
277.11035	1.0
281.10593	0.5
283.12042	0.4
285.11560	0.4
289.07928	0.3
289.11023	0.5
303.12738	2.2
305.14395	0.3
313.14795	0.9
315.16248	47.5
316.16791	1.2
317.14008	0.6
321.13632	0.5
331.15805	2.5
333.17319	100.0
334.17676	2.7
351.18381	49.7
352.18628	1.4
356.14526	0.6
356.18951	10.8
357.19318	0.7
369.19608	1.2
374.19992	6.3
375.20398	0.5
390.19400	0.4
455.98114	0.3
591.37177	1.9
609.38477	0.6
627.28772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03411	1.9
61.02918	3.0
61.26787	0.7
67.05495	1.0
69.03428	5.0
69.07066	42.3
70.06580	1.5
71.04990	1.2
72.08152	0.9
81.03403	3.4
84.08132	0.9
85.02399	1.4
85.02901	21.1
86.03195	0.7
86.09718	0.8
91.05465	1.4
97.02885	6.6
99.04453	2.0
109.02889	1.8
115.05456	6.5
127.03903	4.2
129.06935	0.7
129.22195	0.7
131.04865	1.9
131.85794	0.7
133.02829	1.5
137.06003	1.5
143.04921	12.8
145.04976	6.5
145.06006	1.2
147.04407	1.4
159.04388	4.8
163.06056	1.6
166.07793	1.9
171.04405	66.7
172.04735	2.1
177.05473	1.6
181.10155	3.0
183.04387	0.8
187.03897	8.8
191.08505	0.9
194.07286	2.4
195.07985	1.0
199.03905	25.8
205.04935	2.0
209.09607	7.9
211.03763	1.1
211.09578	0.9
213.05522	1.1
215.07106	1.1
217.04950	73.1
218.05356	1.4
219.06506	28.6
220.06802	0.9
227.10686	2.0
231.06516	100.0
232.06856	2.7
237.09122	5.8
243.06567	0.9
255.10149	20.7
265.08624	1.2
267.10284	0.9
269.11728	20.1
271.13327	1.0
273.11157	2.3
287.12769	41.6
288.13077	1.6
299.12622	0.9
383.78497	0.8
417.15274	1.6
419.88895	0.9
449.18170	2.0
454.40927	0.7
472.37961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01871	1.7
69.03435	4.2
70.06589	1.9
70.13925	2.0
71.05015	1.0
79.05485	1.1
80.74387	0.7
81.03401	2.9
81.07059	0.8
85.02920	9.3
86.09747	0.8
86.74693	0.7
87.00852	5.0
91.05460	1.3
93.07050	1.2
94.04201	1.4
95.04978	1.7
97.02910	5.1
99.04465	1.7
103.05477	4.9
105.01872	4.1
105.07037	3.2
106.06535	1.0
107.04969	1.9
109.02872	3.5
109.06523	1.2
111.04428	1.0
117.07066	1.1
121.06544	4.3
122.03688	5.2
127.03939	5.6
131.04926	8.8
133.06491	16.4
135.08047	5.7
137.05984	100.0
138.06302	1.4
141.06870	0.7
142.31233	0.7
143.04941	0.7
143.08536	1.3
145.04973	2.4
145.06447	4.4
147.08023	0.7
149.05992	2.1
151.07568	7.2
157.06461	1.5
159.02852	1.1
161.05978	1.6
163.07556	25.9
167.07021	0.8
171.08047	1.7
174.06737	1.6
175.07574	3.2
177.09123	1.9
181.08598	1.9
187.07532	2.0
189.09134	3.9
201.09134	0.9
203.10635	4.4
219.10187	1.2
221.11658	1.0
223.16023	0.8
229.08629	1.6
231.04932	1.2
235.10965	0.9
247.09695	1.2
261.08173	0.8
263.10529	0.9
295.13278	11.5
327.11978	1.7
327.15894	29.4
337.32190	0.8
341.66602	1.0
345.17062	4.1
351.15945	2.9
353.13684	0.9
369.17032	2.5
381.62817	0.7
411.17975	1.7
435.18146	2.5
453.18942	1.3
570.40918	0.8
628.30756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.2
53.03947	1.4
55.01871	1.0
57.03429	1.1
58.06597	1.2
59.07335	0.5
60.08160	2.4
61.02881	0.7
61.03159	0.2
67.05474	0.2
68.99733	0.6
69.03423	5.5
70.03688	0.2
71.04940	0.6
72.08137	0.2
73.02918	0.9
77.83660	0.1
78.53999	0.2
81.03413	6.0
83.01348	0.1
83.01923	0.2
85.02896	6.8
87.00822	4.1
87.04438	0.2
91.03902	0.4
91.05466	1.4
93.07024	0.3
93.64220	0.1
95.04945	0.3
97.02885	3.2
99.04449	1.7
103.05465	1.6
104.06199	0.2
105.01854	1.7
105.07008	0.8
109.02876	4.8
110.03129	0.2
115.03891	0.3
117.01851	0.9
117.07023	0.2
119.04898	0.2
119.07318	0.3
120.08099	7.1
123.04373	0.2
124.07564	0.2
127.03912	5.4
129.01765	0.5
130.06517	0.8
131.04912	2.6
132.08040	0.3
134.09550	0.2
136.07507	0.3
140.17401	0.2
145.04945	1.5
146.05928	0.3
147.02863	0.4
148.07487	0.7
148.11136	0.3
149.02296	0.2
159.02888	2.5
165.05423	0.4
173.09515	0.3
177.09155	0.7
178.07721	0.4
179.04344	0.2
182.41148	0.2
189.06967	0.5
189.09039	0.3
190.12175	0.7
200.10651	0.7
202.12236	0.5
203.06938	0.2
204.05676	0.3
205.06482	1.1
206.07274	1.5
207.08043	0.3
207.14833	0.7
208.08734	0.3
209.06000	0.2
214.12209	0.5
216.05641	0.5
216.10286	0.2
217.06361	0.2
218.07266	0.6
219.04456	0.2
219.08008	0.9
219.10100	0.6
220.03111	0.2
220.05171	0.3
220.08704	0.3
221.05948	0.3
222.06577	0.2
222.12671	0.4
224.08234	0.2
227.56288	0.2
231.04901	0.8
231.10155	0.3
232.05139	0.5
233.05959	2.4
234.06750	4.9
235.07489	1.9
236.08273	0.8
236.12894	0.2
239.10643	0.2
244.05165	0.4
245.05890	0.3
246.06723	0.7
247.07523	1.5
248.08276	1.7
248.12622	0.4
249.05449	0.6
249.09105	3.2
250.06218	0.2
251.07030	0.7
251.10617	0.8
252.07825	0.2
261.05356	1.0
262.06219	3.6
263.07001	2.6
264.07791	1.6
265.05112	0.2
265.08423	0.8
266.09363	0.4
267.10144	0.6
272.04587	0.2
274.06256	0.8
275.07022	0.8
276.07886	1.4
277.05466	0.6
277.08563	14.6
278.06015	0.3
278.09158	1.7
279.06476	0.7
279.10086	2.8
280.07184	0.4
280.61032	0.2
281.07974	0.2
289.04947	0.8
290.05743	1.3
291.06485	3.7
291.09488	0.1
292.07254	1.4
293.08026	0.7
294.05475	0.2
294.08807	0.8
295.09772	0.8
302.05740	0.4
303.06473	0.3
304.07190	0.5
305.08051	14.9
306.05350	0.3
306.08493	1.1
307.06149	0.4
307.09579	3.7
308.06686	0.3
308.10034	0.2
309.07755	0.3
309.11099	2.1
319.05994	4.3
320.06586	1.0
321.07486	0.7
323.09097	2.4
325.10602	0.4
331.06189	0.3
332.06747	0.3
333.07538	18.7
334.07880	1.0
335.05612	0.3
335.09094	4.3
336.05978	0.2
336.09662	0.4
337.10669	8.0
338.11099	0.4
347.05252	0.3
349.06949	0.5
351.08597	10.6
352.08929	0.5
353.10046	0.2
363.08600	14.7
364.08820	0.9
365.06589	0.6
381.09641	100.0
382.09976	4.2
474.40613	0.2
570.26019	1.7
601.33679	2.3
628.44043	0.7
629.22400	1.0
629.33209	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2972
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
54.65726	0.2
55.05507	0.3
58.06592	0.8
59.07376	0.3
60.08158	1.6
65.03919	0.2
67.05492	1.1
69.07052	0.3
69.13836	0.6
69.14249	0.6
70.06591	1.2
71.04953	0.2
72.08144	0.4
77.03947	0.3
79.05487	0.9
81.07045	0.7
84.08147	5.0
85.08932	0.3
91.05472	4.1
93.07053	2.8
94.06565	0.3
95.04960	1.7
95.08595	0.5
97.06528	0.3
103.05466	5.7
105.07015	1.1
106.06556	0.3
107.08575	0.3
109.10134	0.3
112.07606	0.9
115.05466	0.3
117.07015	0.8
118.06519	0.4
119.04958	1.1
119.07340	0.4
119.08578	0.4
120.08101	100.0
121.08442	1.9
123.04379	0.2
130.06534	1.0
131.04919	2.2
131.08525	0.4
132.08083	1.0
133.10144	0.3
136.07594	1.7
137.05907	0.3
145.06419	0.3
145.10109	0.3
146.05984	0.8
147.04399	0.7
148.07550	0.6
148.11246	0.6
157.10115	0.3
159.06874	0.3
160.07571	1.1
161.09622	0.6
162.05493	0.3
162.09132	5.1
165.05476	0.7
173.09616	0.3
174.12729	0.4
175.08662	0.6
177.09143	0.8
182.08122	1.0
185.09656	1.0
186.12807	0.4
187.11200	0.2
189.09082	7.1
190.08583	1.6
190.12279	0.6
200.10753	0.3
202.12260	10.9
203.12640	0.3
207.14957	0.3
212.10757	0.4
213.09161	0.5
214.12239	1.0
219.10223	0.5
219.14891	0.4
220.13297	0.3
222.12773	0.3
230.11800	0.4
231.07834	0.4
231.10159	7.3
231.14923	1.5
233.09167	0.2
242.11743	0.8
246.11426	0.2
247.14668	0.3
248.12817	9.8
249.13121	0.4
258.11221	0.5
259.14401	3.2
265.15454	2.5
269.17548	0.5
270.17752	0.4
273.16000	0.3
275.13947	1.1
276.12338	0.4
276.20468	0.4
293.15076	1.0
301.15457	6.4
320.25815	0.5
329.14960	4.7
330.15134	0.3
349.19153	0.7
350.24008	0.8
367.12744	0.7
391.64011	0.2
395.19650	8.9
396.20084	0.2
412.22330	2.5
420.22717	0.5
422.20731	0.7
423.19107	1.7
440.21796	13.4
441.22034	0.6
448.22360	0.7
482.22849	1.1
570.26093	1.8
601.33453	1.0
611.28790	0.7
629.21466	3.9
629.31146	8.7
630.30621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39392	0.2
55.01875	0.5
56.05025	0.3
58.06597	24.2
58.36009	0.2
59.07379	13.3
60.08160	46.0
65.03933	0.2
69.07064	2.7
70.22673	0.2
70.23013	0.4
71.08643	0.2
71.26258	0.2
72.08144	0.4
74.02448	0.3
77.55731	0.2
79.05493	0.5
83.17664	0.2
86.09684	0.2
91.05474	7.2
93.07043	1.0
95.04969	0.4
96.08197	0.2
97.06528	4.6
100.07592	0.5
103.05466	4.9
105.03404	1.8
105.07005	1.2
106.06546	0.5
107.04948	0.6
110.09678	0.5
114.09143	1.0
114.12805	1.4
115.05434	0.5
116.04986	0.3
117.05728	0.6
117.07032	0.7
118.06536	4.7
119.04935	3.8
119.07328	4.3
120.08096	46.9
121.06524	0.3
121.08453	0.5
123.04424	0.4
128.04985	0.7
129.07011	0.4
130.06531	1.3
131.04887	1.0
131.07286	0.3
132.08105	0.5
134.06070	0.3
134.09636	0.3
136.07564	3.9
141.06969	0.4
144.04375	0.3
144.08089	0.4
145.06566	0.2
145.08879	0.2
146.05998	9.9
147.04422	0.2
148.07634	0.2
154.07741	0.2
157.10135	0.2
158.06030	1.0
159.06837	0.7
159.10500	0.4
160.07544	0.2
161.53654	0.2
162.05482	1.7
165.05498	0.6
165.06880	0.2
167.08598	0.7
169.10139	0.8
172.07582	5.0
173.16489	1.7
174.09140	0.4
175.08678	0.4
179.08586	0.6
181.06490	0.5
181.10144	0.4
182.08174	0.5
186.12776	1.0
188.14345	1.3
191.08493	0.4
193.10187	0.2
195.08102	0.8
196.08875	0.4
196.11230	0.3
197.09586	0.6
198.12808	0.3
200.07005	0.3
200.10733	0.3
204.13901	0.2
206.09650	0.2
207.08105	0.6
208.11237	1.3
209.09622	0.4
211.07655	0.2
214.12241	1.9
215.13000	2.0
216.13850	2.0
218.09801	0.2
219.08046	0.5
220.11156	0.6
221.09613	0.7
222.12875	0.4
223.07579	1.5
224.10710	0.9
228.10303	0.5
234.09048	0.3
235.07698	0.3
236.10667	3.4
237.11264	0.2
238.12341	0.4
242.11722	1.4
246.09036	0.5
248.10861	0.4
253.08678	0.2
253.13487	0.5
259.18137	0.6
262.08609	0.2
263.11914	1.0
264.10220	0.5
265.08633	1.3
265.13403	0.5
270.11267	2.5
274.20465	0.8
275.21182	1.2
281.12979	0.4
282.11218	2.4
293.12839	0.3
299.13837	0.6
309.12338	1.9
329.14761	0.5
338.15396	0.2
349.19272	0.7
361.18976	0.4
369.78604	0.2
395.19489	0.4
397.21246	0.2
400.15555	0.3
401.18533	0.3
417.18088	0.7
423.19290	0.4
426.18170	0.3
514.27325	0.3
542.26434	0.4
570.25922	8.1
571.26514	0.4
601.33844	9.2
602.34058	0.7
629.33270	100.0
630.33673	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
55.05522	0.6
58.06598	10.5
59.07382	4.0
60.08164	23.0
60.37816	0.4
67.05473	0.4
69.39848	1.1
69.40244	1.0
70.06566	0.7
77.03944	0.7
79.05489	0.5
84.08145	2.3
91.05476	12.1
93.07040	2.1
95.04955	1.9
98.23444	0.9
103.05466	14.1
104.06240	0.8
105.04535	0.6
105.07024	8.4
106.06566	3.0
107.04970	0.9
110.06036	1.4
115.05472	0.8
117.07009	1.9
118.06543	2.0
119.04954	1.9
119.07322	4.2
120.08102	61.3
121.06502	0.6
123.04440	1.7
124.07594	1.9
126.60484	0.4
129.07040	0.5
130.06525	5.8
131.04919	21.5
131.07286	0.8
132.08084	1.6
133.06500	0.6
134.06012	0.8
134.09633	1.9
135.06786	1.2
136.07558	2.5
143.04951	0.5
143.08560	0.6
144.08112	1.1
144.82062	0.4
146.05989	3.4
147.04424	0.8
147.09132	0.6
148.07570	7.8
148.11189	4.6
152.93977	0.5
157.10155	0.6
158.06003	1.9
160.07640	0.9
160.11183	0.5
160.94223	0.4
161.09683	0.6
165.05492	0.7
172.07555	0.7
173.09631	1.6
174.12862	0.6
175.08687	1.4
177.09082	7.5
185.09595	0.8
186.12830	1.3
189.09071	2.6
190.12254	8.1
200.10687	6.6
202.12259	6.1
203.08179	0.6
205.10124	0.8
207.14938	6.7
214.12274	3.6
215.08290	0.7
215.13156	0.9
216.10205	0.9
219.10176	4.7
222.12772	5.6
228.10190	0.7
229.13394	0.5
231.10115	3.9
236.12796	1.1
242.11766	1.1
245.12886	0.6
246.11340	1.3
248.12813	3.5
257.12881	0.7
274.10712	0.6
307.14420	1.1
337.59601	0.5
349.19217	1.4
367.20193	1.6
392.19769	1.2
395.19653	0.6
423.19049	0.9
514.27130	0.5
542.26447	0.8
570.26013	22.8
571.26056	1.0
601.33789	22.2
602.33893	1.3
629.33289	100.0
630.33704	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.38
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67743	0.2
69.68088	0.5
76.02877	0.2
82.09622	0.1
98.22807	0.2
173.05466	0.6
178.46989	0.2
180.52917	0.2
199.45792	0.1
268.10437	0.3
315.19217	1.1
337.17493	100.0
338.17850	3.0
378.20096	0.5
409.18549	0.3
425.04565	0.2
465.24637	0.3
512.93445	0.2
612.06641	0.2
629.36615	7.4
630.36749	0.7
654.05591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05515	0.2
58.01766	0.2
58.06602	1.3
59.07379	0.3
60.08156	2.2
60.80304	0.2
67.05497	0.3
69.03413	0.8
73.02919	0.2
74.12093	0.2
79.05492	0.5
80.70686	0.2
81.03417	0.9
81.07034	0.2
81.30473	0.2
84.08150	0.3
85.02897	1.3
87.00828	0.6
91.05463	1.4
93.07032	0.4
95.04992	0.3
97.02884	0.7
97.06522	0.5
99.04450	0.6
102.92026	0.2
103.05455	1.4
104.06348	0.2
105.01872	0.5
105.07011	1.0
107.04917	0.3
107.08582	0.3
109.02879	0.8
115.63957	0.2
119.04911	0.3
119.07275	0.4
119.08548	0.3
120.08096	5.1
121.08438	0.7
121.10081	0.2
125.09576	0.3
127.03919	0.8
130.06480	0.5
131.04918	1.6
132.05235	0.2
133.10129	0.3
136.07591	0.3
137.05899	0.3
145.04977	0.4
148.07547	0.8
148.11191	3.4
149.11554	0.8
159.02943	0.4
161.09581	0.3
167.07048	0.4
173.05783	0.2
177.06929	0.2
177.09105	0.7
189.06924	0.4
190.12183	0.6
200.10657	0.5
201.05382	0.3
202.12163	0.2
205.06505	1.1
207.14912	0.5
214.12311	0.3
215.08276	0.2
217.06523	0.3
219.10158	0.3
222.12660	0.2
227.03308	0.5
233.05937	12.0
234.06352	0.5
235.07474	0.5
245.04456	0.5
247.07506	0.3
261.05435	26.6
262.05829	1.5
263.06931	2.3
275.06949	0.3
277.05005	0.5
289.04919	12.3
289.08167	0.6
290.05344	0.6
291.06491	1.4
292.07159	0.3
293.07880	0.5
304.03622	0.3
305.04471	1.4
305.07510	0.3
307.06052	0.4
317.04401	20.3
318.04733	1.0
319.06033	2.7
320.06244	0.4
321.07281	0.4
335.05405	2.1
345.11188	0.4
347.05450	100.0
348.05838	4.9
365.06512	21.4
366.06970	0.9
369.16718	0.2
384.15482	0.5
389.09167	0.4
389.13846	7.6
390.14301	0.3
423.48114	0.2
433.12839	1.9
570.25665	0.7
571.26324	1.3
601.33807	1.1
602.33691	1.1
613.11389	0.5
629.33203	4.4
630.33868	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1422
Annotation	Cyanidin-3-rhamnoglucoside chloride
Peak:m/z	Relative Intensity
50.53559	0.5
65.06978	0.5
67.08063	0.4
69.73378	0.9
84.10513	0.4
92.56821	0.5
103.01831	0.5
104.60957	0.5
105.07008	0.6
133.72154	0.5
136.99689	0.5
143.59845	0.5
149.02332	8.0
149.03387	0.7
163.03894	14.5
193.04959	7.6
207.06519	40.6
208.06866	0.9
237.07574	21.5
238.08069	1.1
373.09189	0.8
385.09286	0.6
399.10654	2.6
429.11856	3.9
575.88885	0.5
610.68365	0.5
623.45148	0.5
631.14191	100.0
632.14545	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	15.6
65.03907	0.4
67.05500	0.4
69.03405	0.5
70.06583	0.5
71.46855	0.3
72.04501	1.5
72.08152	0.4
76.05748	0.3
79.05480	0.6
81.07027	0.3
83.04971	0.4
84.08112	0.6
85.02876	0.9
86.06042	0.8
91.05478	19.8
93.07046	0.4
95.04936	0.6
95.08600	0.3
97.06512	0.3
103.05462	1.4
104.60617	0.3
105.07034	2.1
107.04942	1.1
107.08612	0.4
110.06037	0.5
116.06260	0.3
117.07013	0.6
118.06550	0.4
119.04933	7.0
119.07333	0.7
119.08569	0.9
120.08110	7.0
123.04443	1.0
129.07002	0.7
130.06525	1.9
131.04878	0.9
131.07294	4.1
132.08086	1.2
133.08865	10.3
134.06013	0.4
134.09634	1.2
135.06776	1.1
136.07587	1.6
143.08482	0.3
144.08078	4.4
145.10144	0.5
146.06038	2.0
146.09659	5.4
147.04385	0.4
148.11205	31.8
149.08357	0.7
149.11578	0.5
149.56314	0.3
158.05948	0.4
160.05066	0.4
160.07562	0.3
164.10709	100.0
165.05511	0.8
165.11052	1.7
173.09610	0.7
174.09142	35.3
174.18536	1.4
175.09532	0.4
175.18887	0.5
177.09093	1.9
181.04912	0.5
186.12709	0.5
189.09058	0.8
190.12273	1.1
201.06619	0.6
202.12321	0.9
203.08194	0.5
219.10115	0.8
231.10048	0.4
248.12776	1.0
257.12885	0.6
265.15417	0.6
285.15903	3.1
392.19778	1.4
395.19806	1.0
423.32733	0.4
438.20267	1.3
440.21750	2.0
466.19772	2.1
480.21426	1.5
497.27390	0.6
524.25421	0.8
525.27136	1.2
568.24634	0.8
587.20325	0.5
613.30383	1.3
631.20569	0.7
631.31232	12.8
632.31439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	15.6
65.03907	0.4
67.05500	0.4
69.03405	0.5
70.06583	0.5
71.46855	0.3
72.04501	1.5
72.08152	0.4
76.05748	0.3
79.05480	0.6
81.07027	0.3
83.04971	0.4
84.08112	0.6
85.02876	0.9
86.06042	0.8
91.05478	19.8
93.07046	0.4
95.04936	0.6
95.08600	0.3
97.06512	0.3
103.05462	1.4
104.60617	0.3
105.07034	2.1
107.04942	1.1
107.08612	0.4
110.06037	0.5
116.06260	0.3
117.07013	0.6
118.06550	0.4
119.04933	7.0
119.07333	0.7
119.08569	0.9
120.08110	7.0
123.04443	1.0
129.07002	0.7
130.06525	1.9
131.04878	0.9
131.07294	4.1
132.08086	1.2
133.08865	10.3
134.06013	0.4
134.09634	1.2
135.06776	1.1
136.07587	1.6
143.08482	0.3
144.08078	4.4
145.10144	0.5
146.06038	2.0
146.09659	5.4
147.04385	0.4
148.11205	31.8
149.08357	0.7
149.11578	0.5
149.56314	0.3
158.05948	0.4
160.05066	0.4
160.07562	0.3
164.10709	100.0
165.05511	0.8
165.11052	1.7
173.09610	0.7
174.09142	35.3
174.18536	1.4
175.09532	0.4
175.18887	0.5
177.09093	1.9
181.04912	0.5
186.12709	0.5
189.09058	0.8
190.12273	1.1
201.06619	0.6
202.12321	0.9
203.08194	0.5
219.10115	0.8
231.10048	0.4
248.12776	1.0
257.12885	0.6
265.15417	0.6
285.15903	3.1
392.19778	1.4
395.19806	1.0
423.32733	0.4
438.20267	1.3
440.21750	2.0
466.19772	2.1
480.21426	1.5
497.27390	0.6
524.25421	0.8
525.27136	1.2
568.24634	0.8
587.20325	0.5
613.30383	1.3
631.20569	0.7
631.31232	12.8
632.31439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.4
56.68774	0.4
56.96509	11.6
56.96819	0.9
64.38101	0.3
64.90823	0.3
67.05461	0.8
69.07008	0.4
70.06556	0.3
71.23391	0.4
71.95215	0.6
72.96017	0.4
79.05453	0.5
81.06982	1.1
84.95995	0.5
91.05410	0.6
93.06993	0.7
95.08547	0.7
97.06490	0.3
97.96790	2.6
98.97507	1.0
105.00114	0.6
105.06973	0.7
107.08528	0.4
109.10107	0.6
110.96879	0.4
110.97561	3.2
113.62630	0.3
115.97785	1.3
116.98572	0.5
119.08561	0.7
121.06540	0.4
121.10078	1.2
123.01129	0.5
123.07999	0.6
128.97769	0.4
128.98604	4.9
130.09561	0.3
131.08533	0.4
133.10059	0.4
133.85909	0.3
133.98830	0.4
135.08049	0.4
137.02658	0.4
143.00105	0.8
143.08496	0.4
145.10091	0.7
146.99640	2.5
147.08009	0.3
155.03735	0.4
159.11635	0.4
161.01164	0.9
167.03758	0.4
167.10588	0.6
167.79478	0.3
171.03189	0.8
175.02675	0.5
176.03540	0.4
181.50031	0.4
185.04709	0.5
189.04260	1.1
190.05133	1.1
203.05800	0.8
204.06668	0.4
205.07356	0.6
208.06146	0.5
209.04910	0.4
211.06326	0.4
213.07997	0.4
217.07402	0.5
221.15440	0.5
223.10243	0.4
235.06271	0.4
239.09651	0.4
249.14592	4.5
263.09552	2.2
277.11069	1.8
278.11890	0.6
281.10709	0.3
291.12659	0.4
295.12149	0.5
296.13007	0.5
315.16260	0.4
317.17838	34.3
318.18231	1.2
333.17337	2.5
334.74420	0.3
335.18912	100.0
336.19189	3.9
353.19983	27.1
354.20303	1.3
356.18951	0.3
358.20493	15.5
359.20914	1.0
371.21075	2.4
376.21475	3.8
392.20984	0.5
399.23114	0.8
400.15363	0.9
414.17047	0.4
429.19263	0.6
478.52136	0.3
516.23242	0.5
544.23065	1.2
595.40234	6.9
596.40887	0.9
613.41602	0.5
631.38208	15.6
632.38477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01868	1.7
55.05523	0.7
57.03424	1.0
60.08173	1.0
61.02921	1.4
64.61263	0.7
67.05520	1.5
68.99794	1.3
69.03426	11.3
69.15430	0.8
71.04988	1.1
73.02930	1.6
79.05506	1.5
81.03432	8.2
83.01354	0.8
85.02901	15.5
87.00849	6.4
91.03961	0.9
93.07046	1.4
97.02912	5.7
97.06523	2.5
99.04449	2.9
103.03930	0.8
105.01875	2.9
105.07030	2.1
109.02893	6.8
115.05475	1.1
117.01843	0.9
117.06994	1.6
119.08582	1.1
120.08102	1.8
121.10132	0.7
127.03904	12.1
129.01917	1.2
129.07025	3.1
131.04953	1.3
131.08621	1.1
135.04456	0.8
145.04994	3.3
145.06421	0.9
147.02902	0.8
157.06490	1.2
159.02861	2.8
161.06039	1.2
168.17490	0.9
173.06006	1.1
173.09627	1.7
185.06024	1.3
189.07014	1.4
201.05498	1.7
205.06384	1.0
207.08031	1.1
213.03990	0.9
217.04678	1.0
217.06580	1.9
219.08072	2.1
220.05241	2.2
229.04973	1.0
231.04787	1.8
231.06766	1.2
233.05968	1.0
234.06615	1.5
235.07561	5.5
245.06073	1.2
246.06828	1.2
247.05930	3.7
247.07928	2.3
248.04774	1.5
248.71898	0.8
249.05656	0.9
250.06209	4.9
254.05792	4.3
262.06259	3.1
263.06992	25.1
264.07483	1.6
265.08548	8.9
275.06989	4.7
276.04053	4.1
277.08554	2.7
278.05746	20.8
279.06311	1.4
280.03656	2.4
281.12601	0.8
290.05954	1.5
291.06531	17.4
292.07147	3.9
293.08002	11.6
303.06494	2.1
304.03659	8.1
304.07257	3.5
305.04599	1.4
305.07971	6.7
306.05246	16.8
306.08652	0.8
307.05927	4.5
308.06769	18.1
308.10074	1.6
309.07199	1.4
319.05991	22.5
320.06650	2.5
321.07559	3.7
322.04645	3.4
322.08374	2.5
323.05600	1.5
323.09085	15.7
334.04724	26.5
335.05276	1.2
337.07071	18.9
347.05350	1.1
349.07040	83.9
350.07455	3.0
352.05765	15.6
355.15344	1.5
367.08109	100.0
368.02353	0.8
368.08221	3.7
409.97354	0.8
553.13751	0.9
579.11029	1.3
597.12354	41.5
598.12738	2.1
615.13269	3.4
631.26337	1.3
631.35162	1.4
632.26190	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05518	1.5
56.96557	7.5
62.98267	2.4
67.05502	2.2
69.07066	1.5
71.46941	1.0
79.05504	3.1
81.07075	3.6
83.08621	1.7
91.05487	2.1
93.07066	2.7
95.04964	1.9
95.08626	1.1
98.97620	1.0
102.92656	2.0
105.07040	3.7
107.08626	3.7
109.06538	1.6
115.58776	1.1
118.92111	2.1
119.08585	2.9
119.94924	1.1
120.92606	1.0
121.10186	2.7
123.08138	2.7
128.98613	2.2
131.08580	2.4
133.10159	2.4
136.93109	17.7
136.94075	1.3
143.08582	1.5
145.10120	1.8
149.09685	1.1
151.07646	1.5
154.92879	1.9
154.94162	36.5
155.08534	1.3
159.11716	1.5
167.10728	2.4
171.11736	1.2
172.95247	45.5
177.95811	3.0
181.10066	1.3
181.12289	1.4
190.96289	14.9
192.95798	1.2
195.11658	1.4
195.96840	4.5
210.96790	18.4
212.98418	1.6
228.97853	25.2
233.98470	1.6
246.98972	4.0
251.99327	1.9
298.99301	5.1
315.16208	1.9
317.17917	25.3
335.18829	9.2
339.19046	54.2
358.20499	2.9
397.14545	5.0
453.17154	65.2
454.17368	2.2
471.18207	100.0
472.18762	3.2
494.19711	17.4
495.19617	1.3
528.02081	1.2
536.77594	1.2
597.37463	7.2
615.24030	1.4
615.39478	2.0
633.24298	51.9
633.35071	3.2
633.40717	4.1
634.24115	2.3
664.95978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.7
60.08160	1.3
70.06566	0.9
70.16438	0.4
79.05477	0.6
81.06350	0.4
84.60621	0.3
85.02927	0.4
91.05473	0.9
92.05829	0.5
95.04958	0.5
97.02906	0.4
103.05460	2.1
104.05788	0.8
105.07022	0.8
107.04958	1.1
114.12785	3.8
115.13158	0.9
117.06993	0.3
118.06550	0.7
120.08131	2.8
121.08422	2.1
125.51771	0.4
130.06532	0.7
131.04939	0.8
131.06941	0.4
137.05992	0.5
145.10094	0.5
146.05942	0.6
148.11237	0.7
151.07541	2.7
153.05223	2.9
158.11783	1.0
159.12038	0.5
164.10707	1.2
167.07045	1.5
174.09138	0.6
177.09038	0.4
185.04221	0.4
189.05205	12.2
189.06900	0.6
193.58707	0.4
230.15504	0.7
231.15738	0.5
378.20496	0.9
379.20947	1.0
395.14676	0.6
410.16748	0.5
411.17752	4.1
453.24112	0.7
455.16855	1.3
470.19427	0.8
470.25674	0.6
471.19843	5.6
471.25949	2.4
501.85654	0.4
573.22803	2.4
574.27094	0.8
576.17737	0.4
605.34662	0.8
616.31335	0.4
632.34076	1.5
633.25055	100.0
633.33575	5.2
634.25409	6.6
634.35144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72597	0.3
51.84612	0.3
69.57973	0.8
78.01814	0.4
79.05487	0.6
81.07058	0.6
91.05472	0.6
93.06989	0.4
95.04967	0.4
98.22692	0.5
109.06506	0.4
119.08578	0.4
143.08540	0.3
145.10107	0.3
162.06487	0.3
163.59174	0.3
169.95630	0.3
182.95309	0.3
189.12677	0.3
315.62653	0.4
317.20828	2.0
337.17618	0.3
338.18112	0.4
339.19037	100.0
340.19336	2.9
416.34488	0.4
633.39758	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77938	0.2
55.83337	0.2
62.98261	6.8
67.05486	0.3
74.26021	0.2
77.96951	0.3
78.77522	0.2
79.05441	0.2
81.07069	0.3
93.07028	0.3
95.04971	0.2
103.98483	1.2
105.07008	0.2
116.99274	0.6
119.08535	0.2
127.51631	0.2
131.00818	0.4
133.10167	0.2
139.62251	0.2
141.97801	0.2
145.02350	1.1
147.08072	0.2
165.29167	0.2
173.01826	0.5
187.07149	0.2
188.07864	0.2
196.19693	0.2
201.08707	0.3
227.10179	0.5
235.15068	0.2
241.11760	0.5
269.11270	3.1
270.12106	0.2
317.20953	1.1
321.18002	6.1
339.19061	100.0
340.19431	3.1
357.18976	0.6
357.24826	0.7
380.21481	0.6
384.99527	0.2
453.16721	0.3
471.18100	0.7
502.47369	0.2
597.37622	9.0
598.37872	1.1
600.42090	0.3
615.38257	1.5
633.24188	0.6
633.37585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01868	0.5
57.03426	0.5
58.59210	0.3
65.03933	0.6
67.05474	0.7
69.03420	0.8
69.36417	1.5
70.06588	21.4
72.50668	0.3
74.94451	0.4
77.03917	0.6
79.05488	3.0
81.07041	1.2
83.08582	0.4
84.08127	0.7
85.02412	0.5
85.02901	7.4
86.09704	3.7
86.52518	0.4
91.05474	1.8
93.07036	1.1
95.04983	1.8
95.08622	0.5
97.06516	0.7
97.07634	0.8
98.06049	0.9
103.05470	0.8
105.03399	4.6
105.04482	1.0
105.07010	1.4
107.04891	0.5
107.08543	0.4
110.63034	0.4
111.09136	0.4
115.08689	2.2
116.07079	5.2
119.08526	0.5
120.08069	2.3
121.08424	1.8
130.06467	0.4
131.04910	1.0
131.08516	0.5
133.08849	0.6
133.10005	0.4
134.42667	0.4
135.04404	56.0
136.04735	1.5
137.07108	1.1
143.04895	0.7
143.08452	0.4
145.02824	0.4
145.06505	0.5
145.10143	0.9
147.04379	0.5
148.11220	3.5
149.02371	0.6
149.11584	2.3
149.12552	0.4
151.03850	0.4
152.06168	0.5
152.08192	0.8
153.06842	0.4
155.04913	0.9
155.08162	0.8
159.04483	0.5
159.11668	0.4
161.05919	0.5
163.05324	0.4
165.06987	0.9
167.07048	0.9
173.09575	0.8
176.06236	0.5
177.05486	0.5
178.07780	1.7
179.04854	0.9
179.08609	0.8
181.06448	0.8
183.14929	0.6
185.05963	7.5
189.06935	1.8
190.07747	5.1
191.07086	1.1
191.08542	18.7
192.10336	0.5
193.10231	1.0
195.08038	1.0
199.04031	0.6
201.05360	0.5
201.07011	0.6
202.07822	0.5
203.08580	0.6
205.06502	1.2
206.07263	0.6
207.08038	0.8
208.11183	0.8
209.05957	36.9
210.06332	1.2
210.16090	0.7
215.10599	0.5
217.06383	0.5
218.07234	1.4
219.08032	46.1
220.08366	2.1
221.09612	0.8
226.12189	1.0
229.04860	0.6
233.05931	1.8
233.11668	0.5
234.06725	1.1
235.07477	5.4
236.10664	6.3
237.05441	33.1
238.05775	1.6
247.07529	24.8
248.07935	1.7
248.10535	0.7
249.09084	53.2
250.09331	2.4
250.15431	1.2
253.13394	0.9
262.06302	2.3
263.07007	7.1
263.11703	0.5
266.05768	0.9
267.06494	42.0
268.06845	2.0
268.16333	0.5
275.07043	0.9
277.08588	33.4
278.08932	1.9
291.19653	0.6
292.07257	4.1
293.08051	2.4
296.45084	0.5
307.09637	6.5
308.09460	0.7
321.07416	2.0
351.08594	100.0
352.08969	4.8
379.16583	1.2
389.17282	0.6
396.18900	1.0
397.64084	0.5
406.17465	0.5
521.23962	1.2
553.20001	0.4
573.26685	0.5
590.18762	0.6
590.34259	0.5
598.29486	1.0
606.32971	0.6
616.31219	12.4
617.30884	0.6
621.07703	0.6
621.69556	0.4
633.33850	1.2
634.16992	0.5
634.33051	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
54.47416	0.3
55.01888	0.5
56.05036	0.4
67.05503	0.5
68.05035	1.3
69.03442	1.2
69.07069	2.7
69.87479	1.3
70.06596	100.0
71.06918	0.9
71.21087	0.4
76.02216	0.8
79.05506	1.0
80.04989	0.6
81.04530	0.8
81.07077	1.6
82.06562	0.9
83.04991	0.5
84.08132	0.6
85.02918	1.3
85.04028	0.7
86.09711	18.7
87.00835	0.5
87.10038	0.3
91.05482	3.1
93.07056	0.7
95.04970	1.2
95.08622	0.7
97.02912	0.7
97.06561	1.1
97.07651	3.5
98.06052	4.5
99.09216	0.9
103.05479	0.5
105.01884	0.6
105.03397	14.5
105.07048	1.5
106.06559	0.5
107.04969	0.6
107.08638	1.0
109.02898	0.5
109.07658	2.7
109.10202	0.9
111.09209	0.5
113.07089	0.4
114.05550	2.2
115.03947	0.7
115.08703	12.8
116.07098	24.8
117.06980	0.9
119.08595	1.4
120.08118	0.7
124.08751	0.7
125.07100	1.8
126.05550	1.6
127.03973	0.6
129.07034	0.4
130.06563	1.4
131.04967	0.4
133.06464	0.9
133.10129	0.6
135.04375	0.4
135.06929	0.5
135.08090	0.4
137.06113	0.7
137.07114	4.7
138.12787	0.5
145.10143	1.7
149.09645	0.5
152.08197	4.9
153.06573	0.7
153.13890	1.0
155.08153	4.5
159.11694	0.8
163.12378	1.2
165.07118	0.5
165.75800	0.4
167.07106	0.6
178.07803	0.6
179.04932	0.6
179.08624	0.8
180.15019	1.0
181.06543	1.2
181.10217	0.8
181.13437	0.9
182.16570	0.5
183.14941	3.6
191.08649	1.8
194.07265	0.4
195.08073	2.4
197.09651	0.5
201.16438	0.7
207.08080	2.8
208.11198	3.1
208.14409	0.9
209.09691	1.1
209.15237	2.7
210.08990	0.5
210.16002	3.6
211.14497	4.2
218.07680	0.5
218.09785	1.1
219.08165	2.1
221.09700	1.4
222.16150	0.8
224.10730	2.1
226.12326	3.6
228.17096	2.6
231.04788	0.5
235.07629	0.6
236.10703	29.1
237.11124	1.1
238.12364	1.6
246.09224	1.7
247.07602	0.9
248.10832	1.6
249.14726	0.4
250.15501	4.4
253.13420	4.5
263.11801	2.4
265.13480	1.2
268.16559	3.2
281.12961	0.8
291.19519	2.9
308.09244	1.1
308.51553	0.4
309.12314	1.1
334.14334	0.6
350.18796	0.5
360.16943	0.7
361.15567	1.6
362.13950	1.3
378.18091	2.0
379.16571	9.2
391.16321	0.4
396.19156	3.8
397.19623	0.5
406.17947	1.7
424.18851	1.1
447.27869	0.6
457.26074	0.4
474.24277	0.6
475.26953	0.4
491.26794	1.2
493.24573	0.8
501.25412	1.1
503.23083	1.8
519.25861	3.2
521.23871	5.5
522.24402	0.5
537.27484	0.6
570.30469	0.5
588.31805	0.5
598.30109	3.4
599.30774	0.6
606.32935	1.9
613.83643	0.4
616.31311	57.9
617.31860	4.5
634.21967	0.8
634.32416	14.3
635.25903	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76133	0.5
55.05491	1.2
57.07066	0.8
60.71290	0.4
67.05482	1.9
69.07057	0.9
69.55332	1.7
79.05460	1.7
81.07062	2.7
83.08620	0.8
89.06007	1.1
91.05449	1.8
93.07024	2.7
95.04943	1.1
95.08607	1.1
97.10133	0.5
98.22777	0.9
98.98438	2.0
105.06989	1.5
107.08580	0.8
109.06500	0.7
109.10144	0.5
117.06960	1.1
118.06554	4.4
119.08541	1.1
120.25539	0.4
121.06504	0.7
121.10089	0.8
125.00002	5.4
131.08545	0.7
132.08040	1.5
133.08754	0.8
135.07979	0.7
136.80872	0.5
142.63136	0.5
144.08080	14.0
145.08908	0.5
145.10130	1.0
146.09642	1.3
157.10208	0.6
158.09665	4.0
159.10394	2.0
160.11221	0.8
161.13208	0.5
162.09105	2.2
163.11113	0.5
172.11218	3.7
176.10686	1.4
176.14339	22.7
177.11485	0.8
181.12347	0.6
190.12241	1.2
193.12164	0.7
195.11694	0.6
202.15891	100.0
203.16240	3.1
220.16948	92.3
221.17352	3.1
275.19977	1.1
289.18045	1.2
291.19519	1.4
293.20993	0.7
300.13571	68.0
301.13959	1.9
374.16879	0.6
616.37537	6.3
618.04626	0.6
634.38525	33.2
635.38879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09430	1.5
53.03933	4.2
55.01869	7.0
55.05508	17.5
57.03436	2.4
57.07075	2.0
65.03934	2.3
65.88347	1.5
67.05161	2.2
67.05500	32.1
69.03418	3.5
69.07066	12.2
71.08645	1.7
79.05481	34.1
81.03411	5.9
81.07053	56.8
83.04965	9.3
83.08605	12.7
85.06523	2.1
91.05472	27.7
91.05997	2.9
93.07044	31.3
95.04965	18.2
95.08597	12.9
97.06523	5.4
97.10177	12.4
103.05507	2.1
105.04519	1.7
105.07018	24.4
107.04951	15.2
107.08586	19.1
109.06516	13.3
109.10143	12.3
111.04398	2.6
111.08055	3.1
117.07024	16.2
119.08573	26.4
121.06506	10.1
121.10128	9.8
123.04411	2.2
123.08051	6.9
123.11664	2.3
125.09607	7.9
128.06230	3.0
129.07008	6.5
131.08562	15.6
133.06473	4.5
133.10135	14.3
135.08057	10.3
135.11688	5.9
137.09648	2.7
139.11221	2.2
143.08574	7.3
145.06491	2.3
145.10106	16.1
147.08031	12.4
147.11690	5.2
149.09605	10.3
151.11150	7.3
153.09114	3.4
157.10109	6.5
159.08080	3.0
159.11665	9.6
161.09613	8.9
161.13309	4.0
163.07570	2.1
163.11191	8.3
164.92014	2.0
165.09105	4.0
169.10141	3.0
169.12137	2.1
171.11673	4.4
173.09622	3.8
173.13220	2.5
175.11197	4.5
177.12874	2.8
179.10693	2.5
181.12201	2.5
185.13287	4.9
189.11212	6.2
189.12709	2.1
191.10571	2.3
193.12236	6.7
199.11136	2.3
202.15903	2.0
205.12250	2.1
211.13283	3.1
214.70412	1.7
223.13269	4.5
227.12775	3.6
240.64545	2.2
245.18988	3.8
249.14888	3.1
255.17467	4.9
257.18991	2.9
273.18472	38.0
275.20035	16.2
289.17969	13.7
291.19516	100.0
293.21082	7.2
307.18979	7.3
309.20508	4.4
317.17426	1.5
459.24271	2.1
472.24744	2.9
486.26471	6.6
487.27673	2.5
502.29694	1.9
560.29669	3.1
574.31396	5.5
575.32281	15.2
581.38184	5.7
599.39478	10.4
634.33527	23.5
635.34521	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.90989	0.6
55.01867	4.3
55.05258	1.1
55.05507	15.1
55.74185	0.6
57.03416	1.8
57.07066	1.2
57.43076	0.5
65.03947	0.9
67.05163	0.9
67.05504	14.5
69.03420	2.4
69.07065	8.0
69.87958	1.4
69.88319	1.1
71.04986	1.8
71.08629	1.0
75.08405	0.6
79.05488	16.7
81.03412	2.5
81.07054	28.7
83.04973	3.4
83.08613	7.3
85.02911	1.0
85.06544	1.1
89.06007	2.0
91.05477	11.6
93.07042	13.1
95.03439	0.6
95.04966	11.2
95.08606	6.6
97.02905	1.0
97.06526	2.7
97.10168	9.7
105.04518	1.1
105.07024	10.4
107.04962	6.5
107.08589	9.8
109.06512	6.5
109.10155	5.8
111.04459	3.4
111.08086	2.2
117.07013	7.4
118.02923	0.6
119.04935	1.4
119.08580	14.4
121.06521	5.6
121.10135	6.4
123.04416	0.7
123.08092	5.0
123.11777	1.0
125.05999	0.7
125.09634	7.9
128.06226	0.9
129.07001	4.2
130.07730	0.9
131.08572	7.3
133.06468	3.2
133.08624	1.5
133.10123	5.8
135.08043	4.4
135.11668	3.0
137.09607	2.3
137.44460	0.7
139.07593	0.8
141.06995	0.9
143.08543	4.5
145.06418	1.7
145.10121	10.7
147.08064	8.4
147.11661	3.2
149.09619	5.0
151.07613	0.8
151.11121	1.0
153.09074	2.0
153.12769	1.5
155.08528	1.8
157.10075	3.2
159.08099	1.7
159.11678	3.5
161.09598	4.6
161.13280	1.4
163.11168	6.1
165.09111	2.8
169.10159	1.7
171.10274	0.7
171.11690	2.3
173.09648	2.1
173.13255	1.4
175.11186	2.2
177.11252	1.1
177.12685	0.7
181.10223	0.8
181.12254	3.0
185.13271	2.0
187.11162	0.8
189.11218	7.5
189.12753	1.3
191.10667	3.3
193.12262	1.7
195.74818	0.7
199.14786	0.9
202.15942	0.6
205.12199	1.3
209.11618	1.0
220.17062	0.6
221.54269	0.7
223.13281	6.6
227.12791	2.8
227.17941	1.0
233.15326	1.0
237.16449	1.4
245.18962	2.2
249.14879	3.5
249.18654	0.7
255.17410	2.5
273.18463	23.3
274.18719	0.9
275.20038	3.0
289.18018	3.0
291.19531	100.0
292.19879	2.1
293.21085	2.8
307.18796	1.2
309.20673	3.5
349.26105	0.7
437.34103	1.0
455.35120	1.0
563.37500	1.4
581.38293	5.9
599.39258	3.2
634.41211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.1
55.05512	27.1
57.03433	5.4
59.05001	3.9
67.05513	38.6
67.20282	3.3
69.03418	3.9
69.07085	17.3
69.13486	26.9
71.04991	6.1
79.05486	48.5
81.03413	7.0
81.07059	75.9
83.04985	9.8
83.08624	15.9
85.02901	69.2
85.06563	5.5
88.82762	4.0
91.05476	36.5
93.07044	44.3
95.04969	14.3
95.08601	34.5
95.65621	3.8
97.06553	7.0
97.10174	16.7
105.07033	30.8
107.04957	17.5
107.08604	28.5
109.02891	8.3
109.06513	12.5
109.10153	12.1
111.04459	5.4
117.07027	12.9
119.08560	32.0
121.06522	8.7
121.10135	19.4
123.04424	3.7
123.08087	14.2
125.06008	4.2
125.09654	15.5
129.07022	4.9
131.08591	16.5
133.06503	3.6
133.10159	15.7
135.08051	13.8
135.11716	12.3
137.06017	3.9
137.09615	4.3
138.40222	3.7
139.36020	3.4
143.08603	6.5
145.06396	4.3
145.10130	16.4
147.08070	5.1
147.11713	7.6
149.09647	6.3
151.07590	4.7
153.12778	4.6
157.10071	5.3
159.08060	7.1
159.11728	7.2
161.09650	14.9
161.13240	5.3
163.07544	9.5
163.11194	12.3
165.09109	3.9
173.09634	6.7
175.11151	4.5
177.09059	3.5
181.12311	8.5
189.11282	8.6
191.10677	4.0
193.12210	40.6
207.10062	4.6
221.11794	3.8
227.12772	7.0
243.21053	4.0
261.18649	6.9
261.22116	13.5
263.39844	3.6
271.16965	12.4
289.17990	100.0
290.18454	6.7
291.19638	11.6
301.65945	3.4
307.19003	27.6
321.20590	81.1
339.21710	10.2
366.08743	4.2
453.30356	4.0
549.39050	7.7
567.40216	15.4
599.42780	12.7
621.61157	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39216	0.1
70.84141	0.3
71.83450	0.1
83.06063	0.2
84.04511	1.0
86.09692	0.2
89.39400	0.1
91.05445	0.2
96.06862	0.2
109.07621	0.3
115.05434	0.3
120.77679	0.2
125.07071	0.4
129.06631	0.2
130.04959	0.2
137.05948	0.7
143.04904	1.2
148.07568	0.6
149.00578	0.3
149.08354	1.1
151.02106	0.6
151.07515	0.7
153.06563	0.3
160.05196	0.2
160.07579	0.2
161.05951	0.2
163.07574	0.2
169.03140	0.3
171.07683	0.8
175.07533	0.9
176.07051	0.2
177.07841	20.5
178.08218	0.6
181.06160	0.3
190.08682	0.2
192.10182	100.0
193.03220	0.7
193.10541	2.5
199.07164	0.1
206.07295	0.2
207.04820	0.3
223.05746	0.4
225.03836	0.3
234.06474	0.2
237.03737	0.2
241.08813	0.2
248.25679	0.2
251.05072	0.9
254.04079	0.3
263.05261	0.2
267.04776	0.2
269.06140	0.2
279.04681	0.4
283.07831	0.6
284.10464	0.2
285.05301	0.2
291.04730	0.2
296.10315	0.3
297.05933	0.9
308.04782	0.2
311.07318	0.7
317.08511	0.4
329.08450	0.3
343.09924	0.2
355.09891	0.2
362.14175	1.9
406.91138	0.2
473.25189	0.3
475.15146	0.2
506.19534	18.2
507.19669	0.9
513.45941	0.2
560.20044	0.2
575.20093	0.2
617.22681	1.5
618.21637	0.2
635.23639	23.3
636.23914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	1.5
56.96510	5.0
57.03386	0.8
64.92598	0.7
67.05429	2.2
69.07009	1.0
74.68091	0.7
76.63197	0.7
79.05431	1.7
81.07059	3.6
83.08611	0.8
85.34424	0.6
86.09650	1.5
91.05397	2.6
93.06961	2.8
95.04916	1.7
95.08552	2.0
98.97550	1.3
102.92533	2.6
105.06931	2.6
105.07569	0.8
107.08505	2.0
109.06472	1.0
109.10080	1.6
110.97536	0.8
118.92015	1.3
119.08517	2.2
121.10079	1.5
128.98547	1.1
131.08521	1.1
133.10072	1.1
135.08069	0.8
136.93111	16.2
143.00104	0.9
145.10056	1.6
149.09537	1.5
154.94160	35.5
159.11655	0.9
172.95236	46.1
177.95728	3.4
190.96281	13.2
192.95677	3.1
195.96803	4.0
198.96591	0.9
210.96762	19.4
212.98270	3.0
213.97810	1.2
221.93454	0.7
228.97838	26.1
230.99519	1.0
233.98280	2.4
246.13489	0.8
246.98825	3.2
251.99394	2.3
280.98111	1.0
283.74359	0.7
298.99225	4.8
319.19379	10.9
335.00632	0.8
335.18884	1.7
337.20505	14.1
360.22119	1.9
362.57574	0.9
399.16147	3.2
417.16916	1.3
455.18719	24.8
456.19202	1.0
473.19763	100.0
474.20087	5.7
496.21341	12.4
497.21844	1.0
612.32861	1.8
617.25250	1.1
635.25555	54.0
635.36169	3.0
636.25964	2.9
643.95966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	1.5
56.96510	5.0
57.03386	0.8
64.92598	0.7
67.05429	2.2
69.07009	1.0
74.68091	0.7
76.63197	0.7
79.05431	1.7
81.07059	3.6
83.08611	0.8
85.34424	0.6
86.09650	1.5
91.05397	2.6
93.06961	2.8
95.04916	1.7
95.08552	2.0
98.97550	1.3
102.92533	2.6
105.06931	2.6
105.07569	0.8
107.08505	2.0
109.06472	1.0
109.10080	1.6
110.97536	0.8
118.92015	1.3
119.08517	2.2
121.10079	1.5
128.98547	1.1
131.08521	1.1
133.10072	1.1
135.08069	0.8
136.93111	16.2
143.00104	0.9
145.10056	1.6
149.09537	1.5
154.94160	35.5
159.11655	0.9
172.95236	46.1
177.95728	3.4
190.96281	13.2
192.95677	3.1
195.96803	4.0
198.96591	0.9
210.96762	19.4
212.98270	3.0
213.97810	1.2
221.93454	0.7
228.97838	26.1
230.99519	1.0
233.98280	2.4
246.13489	0.8
246.98825	3.2
251.99394	2.3
280.98111	1.0
283.74359	0.7
298.99225	4.8
319.19379	10.9
335.00632	0.8
335.18884	1.7
337.20505	14.1
360.22119	1.9
362.57574	0.9
399.16147	3.2
417.16916	1.3
455.18719	24.8
456.19202	1.0
473.19763	100.0
474.20087	5.7
496.21341	12.4
497.21844	1.0
612.32861	1.8
617.25250	1.1
635.25555	54.0
635.36169	3.0
636.25964	2.9
643.95966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.96568	5.6
67.05511	2.5
69.07072	1.8
69.52079	4.4
79.05490	1.9
81.07054	4.6
91.05470	1.7
91.67131	0.9
93.07050	1.8
95.04974	2.4
95.08605	3.2
98.23460	1.1
102.92609	2.5
105.07021	3.1
109.06523	1.5
109.10165	1.2
117.23606	1.0
118.92104	1.7
119.08575	1.0
133.10127	1.6
136.93109	13.0
145.10152	2.2
147.11728	1.2
149.09680	1.1
154.94174	31.1
157.10062	1.3
159.11665	1.3
169.98589	1.0
172.95244	38.5
177.95816	2.5
190.96271	11.8
192.95805	4.3
195.96875	4.4
198.96844	1.3
210.96796	12.9
212.98421	1.5
213.97824	1.2
228.97865	27.2
230.99535	1.2
233.98457	2.0
246.98958	3.7
251.99426	2.6
298.99292	5.0
317.17825	1.0
319.19397	9.4
332.93936	1.0
335.18958	2.2
337.20422	11.2
337.27234	2.0
339.18378	1.7
358.12744	1.2
360.22256	1.3
382.64081	1.1
394.23489	1.0
396.63113	1.2
399.16257	3.7
417.17166	1.3
455.18726	23.9
456.19098	1.4
473.19772	100.0
474.20093	5.3
496.21289	8.7
617.24683	2.0
635.25677	81.4
635.36224	3.8
636.26215	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01888	1.6
55.05518	4.1
57.03438	0.9
57.07080	0.9
65.03947	0.8
67.05506	7.7
68.05851	0.7
69.03442	1.0
69.07070	3.1
69.66186	1.3
71.04988	0.7
79.05494	6.9
81.03426	1.7
81.07049	10.3
83.04984	1.4
83.08651	3.0
85.06537	0.6
89.05984	1.0
91.05483	6.3
93.07048	7.3
94.07392	0.7
95.04964	4.2
95.08607	4.2
97.06555	1.7
97.10192	1.5
98.23048	1.7
105.07030	5.8
106.99299	0.6
107.04980	2.0
107.08582	4.0
109.06561	2.2
109.10188	1.8
111.04475	0.7
111.08054	0.8
117.07031	2.8
118.06606	1.2
119.08574	4.9
120.08914	0.7
121.06515	1.6
121.10128	3.1
123.08070	1.7
123.11694	0.7
125.00040	1.4
125.09660	1.4
125.61642	0.6
129.07007	1.2
131.08603	2.7
132.08937	0.8
133.06540	0.7
133.10139	3.8
135.08029	1.4
135.11726	1.2
137.09644	1.0
143.08609	1.8
144.08124	2.3
145.10132	2.6
147.08104	1.0
147.11714	2.5
149.09639	1.6
149.13293	0.7
150.07817	0.6
150.10144	0.7
157.10132	1.0
158.09663	0.9
159.11693	1.6
161.09743	0.9
161.13304	1.0
163.11218	1.6
165.12830	1.0
171.11681	0.7
173.13315	0.8
176.14307	3.5
184.07425	1.6
193.12202	3.2
194.12666	1.1
202.15909	16.5
218.32536	0.7
220.16968	13.6
223.13338	1.5
257.18979	0.8
259.01044	0.6
259.20578	0.9
273.18564	2.5
275.20023	5.6
276.20483	1.4
277.21548	1.4
289.18127	2.8
290.18390	1.7
291.19513	9.0
292.20111	1.3
293.21124	3.9
294.21515	0.8
295.22662	1.0
300.13589	11.4
307.19104	2.2
308.19495	2.5
309.20639	2.0
417.15707	1.3
418.16556	2.8
430.17068	0.7
432.18158	7.2
433.19318	1.3
435.21335	0.7
443.18353	0.7
446.20224	9.7
447.20612	5.1
460.17291	7.5
461.22195	2.5
462.23151	4.7
474.18948	2.8
475.20041	19.1
476.20621	4.9
489.21454	1.6
490.22357	25.4
491.23077	2.3
517.22192	1.2
520.23792	0.9
534.25006	1.4
543.94299	0.7
548.26984	9.7
549.26660	4.1
559.22791	1.0
562.24512	16.1
563.25098	0.9
576.25781	2.7
577.26801	49.1
578.27130	2.2
618.39594	1.2
619.24902	1.0
636.28162	100.0
636.40027	6.1
637.28210	6.6
637.37341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76825	1.3
67.05502	3.7
69.03419	2.8
69.55842	2.3
69.56229	3.0
70.06583	2.9
71.05032	1.2
79.05487	4.2
81.03419	3.3
81.07093	3.0
83.04991	1.4
85.02907	4.3
86.09726	1.7
91.05489	8.1
91.76024	1.1
93.07058	3.9
93.96984	1.3
94.04173	1.6
95.04980	3.6
95.08598	3.0
97.06531	2.5
103.05497	4.1
105.07035	4.6
106.04194	1.7
107.04953	5.6
107.08621	1.1
109.00010	1.0
109.06507	2.4
109.10199	2.2
111.04457	1.3
114.85101	1.0
115.05465	3.1
117.07014	3.1
119.04955	3.3
119.08624	3.4
121.06522	3.6
121.10143	2.5
122.03653	4.0
123.04440	4.4
125.05968	1.7
127.03938	1.4
128.06235	1.9
129.07010	6.6
131.04959	6.0
131.08562	3.0
133.06496	5.1
133.10196	2.4
134.08153	1.9
135.04454	3.3
136.05157	1.9
137.05977	61.4
138.06357	2.2
141.07036	2.1
144.05775	1.3
145.06458	4.9
145.10123	1.2
147.04480	1.4
147.08081	1.6
149.05989	3.6
151.07526	9.2
153.05475	3.3
156.05632	1.4
157.06497	5.1
157.08443	1.0
158.07222	1.5
159.04471	1.3
159.08084	3.4
159.11768	1.3
160.05237	1.9
161.05988	6.2
161.09644	1.5
163.03932	4.5
163.07524	5.8
167.07033	100.0
173.06003	4.8
173.09610	2.0
174.06805	3.4
175.07486	8.1
177.05499	4.7
178.07719	1.4
179.07018	4.9
181.08588	4.1
185.05933	6.6
186.06847	1.5
187.07533	8.3
189.09070	9.1
191.07051	2.3
191.08707	1.2
191.10614	1.9
193.08589	9.0
195.08157	1.7
201.05388	1.6
201.09132	5.4
202.07849	1.9
203.08623	2.1
203.10773	1.6
205.08612	2.8
205.12459	1.5
209.08075	2.4
211.07787	1.5
212.20241	1.3
217.08597	2.3
219.08174	2.4
219.10109	14.2
220.08791	2.5
227.10728	1.7
229.05005	1.9
231.08098	4.4
231.10117	1.4
232.08818	1.8
235.07500	2.0
237.09087	3.2
239.06844	1.5
239.10696	1.6
247.07599	2.6
248.08382	4.1
249.08997	2.4
249.11276	3.6
251.10606	1.5
253.12364	2.0
256.32425	1.2
259.07297	1.8
263.07220	2.3
263.10733	8.3
265.08618	2.8
266.09479	1.4
271.09741	3.1
276.07828	2.3
279.10181	4.6
280.10822	1.8
281.11795	4.0
285.11554	1.5
291.10117	11.4
292.10681	1.5
295.09851	1.7
295.13351	3.3
308.10391	2.5
309.11255	3.6
311.12915	3.1
313.14325	6.6
317.21268	3.1
323.12790	9.6
329.13943	2.0
331.15402	2.5
341.13818	30.8
342.14285	1.5
345.16919	3.4
355.15424	12.0
359.14874	32.1
360.15390	2.0
373.16440	11.9
381.16895	3.8
399.17847	3.4
409.27481	1.5
450.21323	1.2
484.76828	1.4
635.39581	2.0
636.19556	1.4
636.39990	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
53.82350	0.4
55.01867	1.2
55.05511	4.4
57.07065	0.6
58.06599	21.4
65.03927	0.5
67.05503	6.7
68.42390	0.5
69.03405	0.6
69.07065	5.3
69.46507	0.8
69.46893	1.0
71.05013	0.8
72.08153	0.6
77.03931	0.5
79.05492	8.9
81.03417	3.5
81.07053	14.6
83.04989	0.9
83.08604	3.7
85.02912	0.4
85.06545	0.5
91.05476	5.8
93.07040	4.9
95.04964	5.9
95.08604	3.9
97.02913	0.7
97.06528	1.2
97.10166	2.3
98.23429	0.5
100.11275	1.1
105.04499	0.7
105.07030	3.7
107.04959	2.1
107.08572	3.5
109.06531	1.7
109.10182	1.9
117.07024	3.0
119.08572	5.4
121.06528	1.3
121.10152	2.0
123.08062	1.3
125.09650	1.9
129.07028	1.4
131.08551	2.3
133.06482	1.3
133.10165	1.4
135.08075	1.0
135.11697	1.2
137.09576	0.7
143.08598	0.9
145.10133	2.8
147.08075	2.6
147.11702	1.4
149.09627	1.9
157.10161	1.2
161.09608	1.4
163.11240	1.0
165.06985	0.7
171.11745	0.7
175.11142	0.7
179.08586	0.6
182.15456	0.9
184.16957	0.7
185.13321	0.6
191.08649	1.5
193.12326	1.0
194.07239	0.5
195.08061	0.5
197.09608	0.9
205.06458	4.1
207.08009	0.9
208.08873	0.6
209.09666	1.0
210.06786	1.1
210.14896	0.8
211.13347	0.9
212.16403	0.7
219.08122	1.8
221.06024	0.8
222.06821	0.8
223.07520	4.6
224.08337	0.8
225.09203	1.1
231.08078	0.8
233.05998	2.9
234.06764	1.1
235.07542	2.4
236.08389	0.7
237.09190	1.6
239.07103	1.9
240.07774	0.7
245.09612	0.5
247.07561	2.3
249.05531	1.8
249.09006	0.9
249.14877	1.1
250.06255	0.7
251.07008	13.3
252.07690	0.8
253.08601	5.8
254.09319	1.1
255.07971	0.5
255.17426	0.6
259.07663	0.9
260.08307	0.5
261.05521	1.7
261.09195	1.3
263.07062	1.1
264.07904	1.1
265.08514	2.1
266.09464	0.7
267.06482	2.4
268.07135	1.3
271.07419	0.7
273.09155	1.8
273.18454	3.2
275.07022	2.0
276.07758	0.7
277.08530	1.7
278.05722	0.5
278.09045	0.6
279.07382	0.7
279.10107	3.7
281.08099	8.4
282.08838	4.4
283.09619	4.6
287.06912	2.6
288.07654	0.8
289.08594	1.8
290.09348	0.8
291.06598	1.5
291.09705	0.6
291.19519	8.6
291.22583	0.6
292.10577	0.5
293.08075	5.1
295.09760	0.5
301.08728	1.8
302.09518	0.7
303.06784	0.7
303.10175	1.4
304.07333	0.6
305.08124	1.0
305.11871	0.5
306.08813	1.2
307.09601	2.7
319.09842	2.1
320.10516	0.6
321.11200	0.9
333.11343	0.7
371.16376	2.5
381.15140	0.7
399.15927	6.6
400.16705	0.6
403.19000	1.8
406.87390	0.4
413.17712	1.0
417.16925	4.4
431.18488	5.4
439.26508	0.6
449.19617	2.1
475.21124	0.7
523.24799	0.5
541.25940	1.3
545.28912	0.8
555.27417	1.0
559.26831	1.1
573.28418	5.7
579.84229	0.5
591.29486	21.7
592.30127	1.7
595.93750	0.5
636.35266	100.0
637.25861	0.8
637.35657	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05514	3.1
57.03415	0.7
57.07055	0.4
67.05502	4.6
68.90887	0.3
69.03391	0.3
69.07064	2.3
69.53565	0.5
69.53957	0.9
71.04970	0.5
79.05494	3.9
81.03377	0.6
81.07051	7.0
83.04941	1.0
83.08621	1.8
91.05473	3.8
93.07037	3.2
95.04963	2.7
95.08593	2.7
97.06523	1.6
97.10178	1.5
98.98450	1.8
105.04517	0.3
105.07024	2.9
107.04926	1.2
107.08598	2.3
109.06497	1.3
109.10177	1.5
111.04386	0.8
111.08080	0.3
113.59243	0.3
115.05463	0.3
117.07012	1.7
118.06539	4.3
119.08566	3.5
120.08046	0.3
121.06459	1.0
121.10132	1.6
123.08031	1.3
124.99996	5.4
125.09615	1.5
129.06952	0.7
131.08537	1.7
132.08058	1.4
133.08786	0.9
133.10078	1.6
134.09628	0.5
135.08018	0.9
135.11673	1.0
137.09612	0.7
143.08586	0.7
144.08075	12.3
145.08586	0.5
145.10112	1.9
146.09599	1.3
147.08026	1.2
147.11667	0.9
149.09607	1.2
151.11183	0.4
153.09012	0.5
157.10115	0.5
158.09627	4.2
158.10880	0.5
159.10417	1.8
160.11159	0.8
161.09561	0.4
162.09142	2.4
163.11157	1.2
165.09129	0.5
172.11191	3.4
173.11734	0.5
175.11078	0.4
176.10760	1.7
176.14337	21.8
177.11421	0.8
184.07317	0.4
189.11200	0.7
190.12242	1.1
191.10696	0.3
193.12225	0.6
198.89622	0.3
202.15891	100.0
203.16238	2.8
220.16949	86.1
221.17337	1.9
223.13251	0.8
227.12711	0.4
257.18936	0.5
273.18463	1.6
275.19992	2.8
291.16257	0.5
291.19525	10.7
292.19925	0.4
293.21048	2.1
295.17566	0.3
295.22430	0.5
300.13568	58.2
301.13971	1.8
309.20627	0.8
372.90091	0.4
490.22382	0.4
493.22842	0.5
577.26630	0.7
618.39227	5.0
636.28662	1.8
636.40173	31.6
637.40326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03937	2.7
55.01878	7.9
55.05513	21.7
57.03431	2.0
57.07046	0.8
59.04988	0.9
61.16430	0.6
64.46149	0.7
65.03944	1.7
67.05158	1.1
67.05506	22.7
68.34008	0.6
69.03437	3.9
69.07076	12.0
69.50334	2.8
70.28860	0.7
71.05010	1.6
77.03907	1.4
79.05493	29.0
80.64906	0.6
81.03431	3.8
81.07059	50.3
82.07352	0.6
83.04983	7.7
83.08625	12.8
85.02887	1.0
85.06552	1.4
91.05487	23.2
93.07048	21.7
95.04415	1.2
95.04974	16.0
95.08607	12.8
97.06551	3.8
97.09592	1.3
97.10178	16.4
98.90754	0.9
99.04423	0.7
99.08087	1.0
103.05499	1.5
105.04494	1.2
105.07036	19.0
107.04954	8.7
107.08597	17.1
109.06519	8.5
109.10165	6.5
111.04446	5.3
111.08101	4.4
115.05432	1.8
117.07022	12.8
119.08589	25.3
121.06503	8.8
121.10147	10.3
123.08069	7.4
123.11711	1.0
125.09637	13.9
127.53361	0.8
128.06213	2.3
129.07034	5.4
130.07785	1.4
131.08580	13.7
133.06496	3.0
133.10136	11.5
135.08080	6.8
135.11681	5.3
137.09613	3.6
139.11194	1.0
141.07021	1.1
143.08553	5.0
145.06456	1.5
145.10126	18.4
147.08054	10.9
147.11670	5.9
149.09634	12.5
149.13246	1.7
151.11169	1.3
153.09149	4.3
153.12772	1.7
155.08559	2.0
157.10167	5.0
159.08032	1.6
159.11690	5.4
161.09630	5.7
161.13271	2.1
163.11172	9.8
165.09109	5.5
165.12761	1.3
169.10159	2.4
171.10382	1.0
171.11642	3.5
173.09616	2.4
173.13249	3.0
175.11226	2.6
177.12726	2.7
181.12199	3.3
183.11748	1.4
185.09666	1.0
185.13290	3.2
187.11057	1.6
189.11217	9.6
189.12701	0.9
191.10657	4.3
191.14264	0.8
193.12183	0.9
195.13727	1.4
197.13361	1.0
199.14859	0.9
203.14383	1.5
205.12216	1.2
209.11668	1.5
211.14841	1.1
213.12793	1.1
213.16393	1.1
215.14204	1.0
219.87985	0.7
223.13240	6.0
227.12726	4.7
227.17789	1.6
229.19536	1.1
231.13878	1.4
234.31924	0.7
237.16466	1.1
239.17870	2.0
245.19026	3.0
247.20587	0.9
249.14908	3.4
255.17447	4.1
257.19028	4.3
263.20224	1.2
273.18509	30.9
275.20071	19.5
276.20627	0.7
291.19556	100.0
292.19888	4.0
293.21115	2.5
309.20532	5.3
341.17624	0.7
370.60843	0.9
467.31467	0.8
485.32452	1.5
490.20322	1.2
491.21295	1.7
545.09308	0.8
548.72382	0.8
565.39075	1.0
577.24365	2.0
583.39655	1.4
595.23730	0.8
636.27051	0.8
637.26459	9.3
637.36133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01868	6.0
55.05508	20.1
57.03434	2.8
65.03928	1.7
67.05504	22.6
69.03428	3.8
69.07061	9.6
71.05003	2.7
71.08622	0.9
77.03920	1.3
79.05490	30.1
81.03408	3.7
81.07053	49.5
83.04976	9.2
83.08617	11.8
85.02879	1.1
85.06531	1.4
88.70212	0.5
89.06045	1.0
91.05477	22.1
93.07041	21.5
95.04964	16.0
95.08603	13.4
96.05305	0.7
97.06522	4.8
97.10162	13.5
99.04433	1.3
99.08079	1.2
103.05419	1.4
105.03382	0.6
105.04505	1.8
105.07024	18.5
107.04957	7.9
107.08585	14.7
109.06516	10.4
109.10143	5.7
111.04429	4.4
111.08064	3.6
115.05460	1.7
117.07016	12.9
119.04928	1.4
119.08577	26.2
121.06496	7.1
121.10146	8.7
123.04373	0.7
123.08056	7.5
123.11711	1.8
125.09621	11.1
128.06198	1.3
129.07005	6.6
130.07762	1.1
131.04863	0.8
131.08559	12.3
133.06499	3.9
133.08612	0.7
133.10120	9.9
135.08035	6.3
135.11682	6.1
137.09607	2.3
139.11186	0.9
141.06981	1.1
142.07765	0.8
143.08548	5.4
145.06477	1.2
145.10109	14.1
147.08034	11.6
147.11656	4.6
149.09619	9.6
149.13242	2.3
151.11177	1.4
153.09081	3.1
153.12759	2.2
155.08563	1.3
157.10109	5.5
159.08125	1.8
159.11664	6.0
161.09618	4.9
161.13213	1.4
163.11165	9.6
164.11565	0.6
165.09091	3.8
167.08606	0.8
169.10138	2.3
171.08124	0.8
171.10345	0.7
171.11740	2.4
173.09567	3.1
173.11819	0.6
173.13258	1.9
174.13280	0.6
175.11220	3.2
177.09142	0.7
177.12755	1.8
179.14203	0.8
179.56058	0.5
181.10068	0.7
181.12209	2.9
183.11656	1.5
185.13287	1.8
187.11172	2.0
187.14873	1.3
189.11221	9.1
189.12755	1.3
191.10611	3.5
193.12225	0.9
195.11723	1.3
195.13824	1.8
197.13348	0.9
199.11183	0.7
201.12708	0.6
201.16298	0.9
204.17430	1.8
205.12190	0.9
207.13963	0.6
209.11717	1.4
213.12798	1.3
213.16518	0.8
222.18498	1.0
223.13304	5.5
227.12735	4.2
227.17857	1.3
229.19330	0.8
231.13853	1.2
235.16908	0.7
237.16490	1.5
239.18008	1.1
245.19002	2.8
247.20671	0.7
249.14799	3.3
249.18556	0.8
255.17384	2.8
255.61246	0.7
257.18921	3.2
263.20129	1.2
273.18472	26.7
274.18875	0.9
275.20062	13.6
291.19528	100.0
292.19904	3.2
293.21066	3.2
308.04623	0.6
309.20627	4.5
350.59302	0.6
402.19037	0.6
454.82803	0.6
467.31354	1.1
485.32535	1.3
565.39099	0.9
577.26019	1.0
583.39972	0.9
595.24469	1.8
601.41449	0.8
636.27991	0.8
636.40601	1.7
637.26953	3.5
637.36200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48778	1.5
55.01874	4.7
55.05516	17.6
55.72470	1.1
57.03434	3.0
57.07058	1.3
67.05503	17.2
67.80893	1.2
69.03432	2.1
69.07063	8.8
71.04991	2.8
79.05494	27.0
81.03417	3.2
81.07056	39.9
83.04971	4.5
83.08608	10.6
85.06569	1.6
91.05474	16.2
93.07047	16.1
95.04967	12.7
95.08614	9.3
97.06538	3.0
97.10162	12.8
105.07026	17.3
107.04948	9.4
107.08590	13.6
108.21628	1.3
109.06512	8.2
109.10169	7.3
111.04426	3.8
111.08064	2.0
117.07006	11.0
119.04912	1.6
119.08588	24.9
121.06522	7.3
121.10124	9.2
123.08057	4.0
125.09629	9.0
128.06250	1.4
129.07033	4.0
131.08551	10.4
133.06520	3.2
133.10110	8.4
135.08041	5.8
135.11665	4.3
137.09596	2.4
142.07771	1.7
143.08551	4.0
145.10138	12.6
147.08037	11.2
147.11703	5.3
149.09616	7.7
153.09167	2.5
153.73163	1.4
155.08572	1.4
157.10159	4.8
159.08011	1.3
159.11705	3.7
161.09650	8.2
163.11157	7.1
165.09184	2.0
169.10176	2.0
171.11674	3.9
173.09627	1.6
173.13326	1.8
175.11214	3.8
177.12764	1.6
178.56259	1.2
181.12256	2.1
183.11678	1.7
189.11191	10.7
189.12607	1.7
191.10718	3.0
209.11658	2.0
213.16406	1.4
223.13248	4.4
227.12785	2.4
239.18214	1.3
249.15039	3.0
255.17534	2.9
257.19037	3.5
273.18481	26.7
275.20071	25.1
291.19537	100.0
292.19882	4.7
293.21063	4.7
309.20432	7.6
401.19583	1.6
547.37500	2.5
555.29602	1.9
565.38641	4.7
577.26263	3.4
583.39978	3.7
595.24579	1.7
636.25818	2.5
636.38684	1.5
637.26923	2.1
637.36597	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2652
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.01869	1.8
55.05511	5.8
56.05820	1.1
57.03432	1.0
59.06235	0.8
67.05506	7.5
69.03448	1.0
69.07064	2.8
79.05493	10.4
81.03429	1.7
81.07057	17.2
83.04984	2.3
83.08617	2.8
91.05483	7.9
93.07050	7.5
95.04955	5.7
95.08599	5.2
97.10167	3.2
105.04565	1.4
105.07009	6.2
106.07400	1.4
107.04961	3.4
107.08614	4.4
109.06522	4.4
109.10128	2.4
117.07053	4.7
119.08584	7.3
121.06551	1.2
121.10162	4.1
123.08093	2.0
123.11752	1.2
125.09673	2.8
129.07030	1.6
131.08595	4.6
133.06567	1.4
133.10138	3.7
135.08076	2.1
135.11723	2.6
143.08492	1.6
145.10146	5.7
147.11714	2.3
149.09607	2.0
157.10159	1.2
159.11737	2.2
161.09602	1.9
163.11208	3.1
171.11676	1.8
173.11810	1.0
176.14334	1.5
184.07457	1.1
189.11261	1.9
191.14383	1.1
193.12260	1.2
202.15921	3.0
220.17003	2.7
221.17409	1.0
223.13263	1.8
247.20821	0.9
273.18414	5.2
274.18756	1.4
275.20020	8.0
276.20404	1.7
291.19525	21.9
291.22586	1.5
292.19882	7.9
293.21136	3.7
294.21558	1.2
300.13620	2.8
309.20700	2.3
346.88208	1.0
389.17581	2.1
401.17975	1.3
402.19098	1.2
403.19324	2.2
407.38065	1.1
417.16681	1.9
417.21326	2.0
419.22440	3.9
429.16870	2.0
431.18646	2.7
445.20233	6.2
447.22141	2.2
459.21674	1.4
463.21075	5.0
475.16638	1.7
477.19150	2.1
489.19159	2.3
490.19818	7.7
491.20651	13.9
503.20807	4.0
504.21719	1.6
517.22644	2.0
518.22949	1.4
533.25433	3.8
537.60358	1.2
549.25171	1.6
577.24420	67.9
578.25024	5.6
605.24170	1.3
619.25372	1.7
637.26556	100.0
637.36237	3.3
638.26654	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88403	0.4
55.05425	0.9
60.98823	0.4
64.13783	0.5
67.05387	1.2
67.05714	0.5
69.06995	0.5
69.70761	0.9
69.71119	0.7
71.03991	0.4
72.24387	0.4
79.05381	1.2
81.06938	1.5
85.83978	0.4
91.05399	0.9
93.06929	1.6
95.08524	0.6
105.06928	1.0
107.04877	0.6
107.08532	0.6
109.06460	0.6
109.10030	0.5
119.08529	0.7
121.10017	0.6
133.09937	0.6
135.11629	0.4
144.07918	0.4
145.09958	0.6
146.93791	0.4
148.63266	0.4
150.90283	0.4
153.09058	0.4
153.62189	0.3
197.10605	0.5
211.98056	0.4
222.11664	0.5
233.10815	0.5
269.93503	0.6
275.19904	1.0
291.19763	0.5
293.21002	1.0
295.22324	0.4
312.14908	0.6
319.40530	0.5
347.18185	0.6
358.12677	0.4
363.16260	0.8
373.15256	0.6
377.17532	1.4
378.18369	1.4
386.15283	0.7
387.15991	0.9
389.17786	0.6
391.19339	2.5
392.19971	2.4
393.20624	3.2
398.15192	0.5
399.15884	0.9
400.16812	2.1
401.17807	2.5
402.18646	0.7
403.19272	1.0
405.20630	1.8
406.21652	0.9
407.22269	5.3
408.22739	0.6
410.15424	0.5
411.15735	0.5
413.17697	2.4
414.18677	3.1
415.19254	5.3
416.20462	0.9
417.20782	1.2
418.17563	0.5
420.19336	0.9
421.20029	3.8
425.17642	0.7
427.19858	0.8
428.19882	1.6
429.15933	1.0
429.21521	4.4
430.21234	1.6
431.18201	1.0
432.19339	0.8
433.20663	1.0
434.20792	1.3
435.21552	4.5
436.22461	1.9
439.19479	0.6
441.16763	1.0
442.17847	1.4
443.17093	2.2
443.22485	2.9
444.18753	3.9
445.20383	2.4
446.21219	0.8
447.17972	1.7
447.22882	0.6
455.18951	0.6
456.19724	0.7
457.20584	3.8
458.20966	4.6
459.18295	2.1
461.19330	3.2
462.24405	0.6
463.21094	1.3
469.16266	0.7
471.22287	6.8
472.23178	4.2
473.19440	4.5
474.20670	2.4
475.16623	0.8
477.18573	0.8
484.18817	1.4
485.19891	4.2
486.20486	5.3
487.22012	2.5
488.21997	1.8
489.18936	2.5
489.22968	2.4
490.19379	3.3
491.20792	1.9
498.20303	0.6
499.21301	9.4
500.21689	3.1
501.22467	1.9
502.19962	0.7
503.24265	2.4
504.20584	0.5
511.21506	1.1
513.19153	6.2
514.19910	0.7
516.21466	1.9
517.22382	15.9
518.22162	1.4
519.19995	0.9
521.25513	2.1
522.25989	0.7
527.20728	3.9
528.21265	1.2
529.22284	1.9
530.22968	0.7
531.24402	13.0
532.24011	1.0
541.22461	0.6
543.23895	1.6
544.20477	0.6
545.21844	1.4
546.91486	0.5
549.24976	8.2
550.25073	1.1
559.23364	61.6
560.23865	3.9
573.20862	0.8
576.23987	0.6
577.24573	3.0
578.25385	1.1
587.22913	11.0
588.23242	0.6
591.26013	4.3
605.23871	5.4
619.25476	64.4
620.25726	3.5
637.26532	100.0
638.26740	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.98949	0.3
69.99284	0.4
76.84927	0.2
93.94107	0.2
99.49728	0.2
154.06340	0.2
209.10622	0.4
219.09196	0.4
221.10593	0.3
233.10617	0.3
251.11508	0.3
326.12567	0.3
333.38278	0.2
360.14835	0.4
363.15970	0.3
373.15628	0.3
374.16330	0.6
375.16779	0.5
376.17117	0.5
377.17682	0.8
378.18161	0.8
379.19070	0.3
385.14395	0.4
386.15329	0.9
387.16049	0.9
388.17410	1.0
389.17999	0.5
390.18945	0.5
391.19351	1.5
392.20230	1.3
393.20761	2.1
398.15701	0.5
399.16302	1.7
400.16956	2.7
401.17654	3.6
402.18369	1.1
403.18973	0.8
404.20419	0.3
405.16425	0.5
405.20786	0.9
407.22339	3.3
411.16324	0.3
412.17252	0.4
413.17831	3.2
414.18634	4.0
415.19366	8.0
416.20541	1.2
417.21265	1.2
418.18610	0.5
419.18051	0.4
419.22934	0.6
420.18665	0.3
421.20139	2.1
424.16602	0.3
425.17767	1.4
427.19089	1.6
428.20404	3.3
429.21255	7.1
430.21844	2.1
431.18613	0.9
433.20663	0.6
434.20715	0.5
435.21664	1.6
436.22577	0.3
438.18619	0.3
439.19138	0.8
441.16586	1.5
442.17331	1.5
443.18378	3.7
443.22702	2.8
444.18723	3.2
445.20255	1.6
446.21008	0.3
447.17941	0.8
447.22849	0.4
455.18710	0.8
456.19724	1.7
457.20621	4.4
458.21265	3.4
459.18060	0.8
461.19543	0.7
467.18979	0.3
469.16403	0.5
470.16986	0.4
471.22409	5.2
472.23288	3.1
473.19547	2.9
474.20377	1.1
475.17178	0.7
484.18979	1.0
485.19897	1.9
486.20447	3.5
487.21643	2.0
488.21857	1.0
489.22610	0.9
490.19666	1.1
491.20566	0.5
498.20737	0.3
499.21414	6.1
500.21820	1.5
501.19458	0.4
502.19540	0.3
503.24969	2.3
513.19336	0.8
516.21735	0.9
517.22369	2.1
521.25372	0.5
527.20740	2.2
528.21313	1.0
529.21930	0.4
531.24017	7.4
532.24219	0.3
541.22021	0.3
543.23669	0.7
544.20953	0.4
545.21729	0.4
549.24988	0.8
559.23401	68.9
560.23730	4.7
578.24493	0.3
587.22894	11.0
588.23169	0.9
605.23889	0.6
619.25519	100.0
620.25861	6.1
637.26587	15.4
638.26868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01869	1.0
55.05506	2.4
56.05844	0.3
67.05498	3.1
69.03425	0.3
69.07056	1.3
71.36924	0.3
72.94617	0.3
79.05489	3.7
80.05810	0.2
80.75218	0.2
81.03432	0.4
81.07052	5.3
81.07502	0.4
82.07413	0.4
83.04985	0.8
83.08622	1.6
86.94855	0.2
87.72913	0.2
91.05466	3.2
92.05823	0.3
93.07043	2.9
94.07394	0.5
95.04962	3.4
95.08607	1.8
97.06541	0.8
97.10169	1.7
97.57864	0.2
98.20948	0.2
105.07008	2.5
107.04944	1.2
107.08582	2.4
108.45929	0.2
109.06519	1.0
109.10143	0.6
111.04453	0.5
111.08096	0.5
111.10500	0.2
117.07015	2.1
119.08575	3.4
121.06464	1.1
121.10134	1.2
123.08091	0.7
125.09611	1.3
129.07056	0.6
131.08554	1.6
133.10092	1.4
134.10498	0.3
135.08043	0.7
135.11720	0.7
137.09682	0.5
143.08553	0.7
145.10135	2.0
147.08095	1.0
147.11694	0.8
149.09599	1.2
149.13246	0.3
150.10063	0.3
153.09119	0.5
157.10103	0.5
159.11705	0.9
161.09636	0.6
161.13405	0.3
163.11168	1.5
171.11746	0.9
172.04012	0.3
173.09566	0.3
173.11775	0.2
173.13300	0.4
177.12781	0.3
189.11189	1.6
191.10750	0.4
195.09143	0.3
223.13237	0.9
227.12775	0.5
249.10139	0.3
257.19135	0.6
273.18488	2.5
274.18921	0.8
275.20032	2.6
276.20462	0.8
291.19531	8.8
292.19873	2.9
293.21133	1.1
294.21558	0.3
298.80960	0.3
309.20569	0.4
327.92349	0.3
334.13617	0.3
336.14905	0.3
340.14697	0.3
373.14648	0.4
375.16248	0.5
387.16342	0.8
388.16962	0.7
389.17618	1.7
390.18567	0.8
391.19424	0.4
400.16913	0.4
401.17981	0.8
402.18893	1.2
403.15051	0.2
403.19467	2.1
404.19925	0.8
405.20724	1.0
415.14786	0.4
415.19327	0.8
416.15930	0.4
416.20450	0.4
417.17062	1.5
417.21100	1.3
418.17215	0.4
419.17810	0.4
419.22485	3.4
420.22748	0.4
428.16473	0.3
429.16428	1.2
430.17871	1.1
431.18082	2.6
432.19708	1.3
433.20734	0.6
435.18024	0.4
443.18991	0.5
444.19510	0.8
445.20111	3.9
446.21118	2.2
447.22495	2.2
448.18637	0.7
449.19730	0.6
457.15964	0.5
459.22195	1.2
461.16022	1.5
461.20734	0.8
462.16562	0.6
463.21524	3.9
464.22064	0.4
471.17822	0.3
473.19238	0.5
474.20538	0.3
475.17874	2.0
475.22729	0.3
476.17581	1.7
477.18512	1.7
489.18762	2.2
490.19751	7.5
491.20743	12.0
492.21176	0.8
503.20752	4.1
504.21750	1.3
505.26331	0.5
511.30530	0.5
517.22601	1.8
518.22760	0.9
519.23969	0.4
521.22247	0.3
522.22485	0.5
533.25604	6.4
534.26025	0.3
535.19958	1.1
536.24420	0.4
545.21954	0.6
549.24719	1.8
559.23395	0.6
562.22174	0.5
577.24408	25.9
578.24677	2.1
593.27698	1.5
605.23950	1.0
609.27222	0.5
619.25397	0.9
637.26575	100.0
637.36694	6.9
638.16370	0.3
638.26849	6.4
657.05151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67095	1.1
67.05524	1.9
69.13384	4.8
69.13786	2.4
80.31433	1.2
81.07065	2.0
82.67033	1.1
91.05453	1.3
93.07091	1.8
102.33470	1.2
267.97784	1.3
305.17490	2.7
347.15829	1.5
361.15393	1.6
387.16220	1.7
390.19147	1.5
391.19308	2.4
393.20770	1.9
400.17194	1.4
401.17792	4.1
407.22382	2.3
413.17853	1.9
414.18332	3.9
415.19254	7.5
415.48828	1.4
416.20007	2.0
418.22446	1.6
421.20190	3.2
429.20938	5.2
430.21732	3.5
435.22055	2.3
441.17197	1.5
442.17838	2.2
443.17834	2.3
443.22910	3.2
444.23148	2.8
445.21002	1.4
457.20694	1.8
458.21146	3.4
459.21823	1.5
471.22174	6.0
472.22845	2.1
473.19720	4.7
485.19937	2.7
486.20435	5.5
487.21158	2.8
499.21387	22.1
500.22046	4.0
503.24988	2.7
513.19250	1.4
514.19763	1.5
517.22406	4.6
527.20801	3.9
528.21875	1.9
531.24207	6.1
549.24829	2.5
559.23413	84.4
560.23621	4.5
587.22839	37.5
588.23517	2.2
605.24139	2.0
619.25537	100.0
620.26160	8.6
637.26581	43.2
638.26428	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37222	0.4
55.05503	0.5
58.31239	0.3
61.02928	0.5
62.97932	0.5
62.98262	10.7
66.91895	0.3
67.05496	0.9
69.07055	0.4
69.29707	1.7
79.05505	0.4
80.59409	0.3
81.07075	0.7
84.97221	0.5
91.05495	0.4
92.98244	0.3
93.07053	0.6
95.08600	0.9
98.23047	1.4
104.43238	0.4
105.06997	0.7
110.76924	0.4
119.28640	0.4
131.79958	0.4
132.54623	0.4
133.10139	0.5
142.39816	0.4
159.71950	0.4
171.91237	0.4
180.10435	0.4
204.10172	0.5
217.39757	0.5
243.16103	0.4
311.25687	0.8
313.27325	0.6
319.22504	0.6
323.19574	8.1
341.20636	100.0
342.21039	3.5
382.22958	1.2
518.99506	0.4
601.40790	9.5
602.40979	0.5
619.41302	1.4
637.26044	1.9
637.37482	1.6
642.43048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	4.6
70.06588	7.2
71.08627	2.1
81.59199	1.5
84.75980	1.6
88.07631	10.4
98.22729	5.4
98.97602	1.8
99.88429	1.6
102.09191	3.2
106.08682	7.7
139.14459	1.6
142.10699	1.8
158.22145	1.8
212.23758	5.9
216.19164	1.8
256.26428	5.0
274.27414	100.0
275.27750	5.2
294.68286	1.8
638.36523	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01881	10.8
55.05513	33.0
57.03428	1.9
65.03941	1.9
67.05505	39.3
69.03435	4.7
69.07071	15.0
71.08633	4.0
71.46800	1.7
79.05496	36.5
81.03419	6.4
81.07059	68.9
83.04971	9.5
83.08627	18.4
85.02913	2.0
85.29042	1.5
91.05482	28.4
93.07050	34.2
95.04974	34.8
95.08607	16.1
97.06558	6.8
97.10174	19.5
99.08078	5.1
105.04532	2.9
105.07039	21.4
107.04973	9.2
107.08603	20.5
109.06531	11.5
109.10155	8.4
111.04458	6.0
111.08109	8.4
113.09645	2.0
115.05463	1.8
117.07014	14.6
119.08574	28.9
121.06502	8.3
121.10151	12.6
122.10443	1.6
123.04437	1.8
123.08064	8.7
125.09647	12.8
128.06212	2.0
129.07013	8.4
131.08569	12.8
133.06512	5.7
133.10132	13.4
135.08018	8.0
135.11684	7.8
137.09602	4.9
139.11194	2.6
143.08577	7.4
145.06551	2.8
145.10123	19.6
147.08058	12.5
147.11688	6.3
149.09656	10.5
149.13266	4.1
151.11172	10.5
153.09148	5.3
153.12723	2.8
155.08627	2.1
157.10156	5.9
159.11644	7.5
161.09587	8.6
161.13264	4.8
163.11186	17.2
165.09134	5.1
165.12772	3.5
169.10129	3.6
169.12311	1.6
171.10219	2.3
171.11716	6.7
173.09688	2.8
173.13292	3.0
175.11179	4.7
177.12788	4.4
181.12268	3.9
183.11702	1.8
185.13307	4.5
189.11259	13.0
189.12766	2.8
191.10666	4.3
193.12186	1.8
195.13852	1.8
199.11145	2.6
223.13268	9.4
227.12807	4.7
227.17877	2.2
237.16528	1.8
245.19093	2.8
249.14845	3.9
255.17316	3.4
257.19009	2.1
259.20743	2.2
273.18512	29.2
275.20029	13.1
276.20428	2.2
277.21649	11.9
291.19547	100.0
292.20020	5.2
293.21118	27.1
294.21234	1.8
295.22748	6.1
309.20648	5.0
429.19165	1.9
447.31024	1.9
467.31329	3.3
469.33215	1.9
485.32526	4.4
560.24213	1.9
585.39850	1.7
620.25928	2.0
621.37183	3.9
638.27484	2.7
638.43115	7.6
639.28381	3.9
639.38593	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01878	3.0
55.05516	14.5
57.03429	1.3
57.20123	0.8
65.03917	1.5
67.05506	20.0
69.03428	1.6
69.07071	9.6
69.22283	2.1
69.22691	3.3
71.05011	1.5
79.05492	16.6
81.03416	3.5
81.07061	23.6
82.07376	1.3
83.04983	4.2
83.08619	12.4
85.06521	0.9
91.05477	17.4
93.07046	16.9
95.04971	17.6
95.08600	14.8
96.05245	0.9
97.06545	5.2
97.10163	4.3
99.08105	0.9
105.04522	1.1
105.07033	19.5
107.04976	6.5
107.08595	12.4
109.06521	5.8
109.10156	7.1
111.08093	2.2
117.07040	6.7
119.08582	17.3
121.06498	3.0
121.10151	10.2
123.08069	3.7
123.11722	1.5
125.09648	3.9
128.06233	1.5
129.07027	2.9
131.08568	8.9
133.06473	1.4
133.10139	15.1
135.08073	4.0
135.11682	5.6
137.09662	2.3
143.08559	1.7
145.06482	1.0
145.10123	12.7
147.08058	2.6
147.11697	9.9
149.09610	14.0
149.13292	2.0
151.11220	2.8
155.08598	1.8
157.10139	3.0
159.11694	7.2
160.11252	1.5
161.09666	2.3
161.13268	2.7
163.11174	15.7
165.12785	2.3
169.10158	3.0
171.11696	2.3
173.09651	2.0
173.11769	1.8
173.13272	2.7
175.11124	1.2
177.12724	1.8
183.11679	1.2
187.11186	2.5
189.11258	4.0
189.12811	1.1
191.14418	1.0
195.13849	1.8
197.13329	2.2
201.12744	1.2
204.10193	7.1
213.16492	1.1
215.14426	0.9
215.18051	1.3
223.13275	13.2
227.17787	1.0
229.19580	2.3
239.17812	7.0
247.20619	1.4
249.69531	0.9
257.18994	10.7
273.18512	1.3
275.20068	100.0
276.20432	3.7
291.19565	1.0
292.20108	1.1
293.21109	57.8
294.21368	2.1
313.27228	1.1
327.19119	0.9
328.23633	0.9
329.14133	0.9
409.97946	1.0
410.37341	0.9
561.21301	4.1
567.40521	1.8
585.41034	1.2
610.82794	1.0
621.23419	4.5
638.26874	4.5
638.37366	1.8
639.27765	6.2
639.39484	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03937	0.4
55.01867	0.3
57.03429	0.2
61.02913	0.2
64.53087	0.2
65.03942	0.4
67.05505	0.3
68.99786	0.2
69.03432	1.2
69.60831	0.5
71.04990	0.3
77.03909	0.2
79.05490	0.9
80.06270	0.4
81.03422	1.6
81.07053	0.4
83.04969	0.2
85.02915	2.1
87.00827	1.4
90.04684	0.4
91.05496	2.7
93.07032	0.5
95.04974	2.1
95.08595	0.3
97.02896	1.0
98.22681	0.3
99.04454	0.4
103.05459	0.6
105.01858	0.6
105.03349	0.2
105.07024	1.0
106.04175	0.4
107.04954	5.1
107.08596	0.2
108.05745	2.6
109.02879	1.1
109.06540	0.4
111.04428	0.8
115.05511	0.3
117.07003	0.8
119.06016	0.2
119.08569	0.4
121.06495	1.7
122.07332	0.2
123.08090	0.5
127.03928	1.1
129.01814	0.2
129.07005	0.7
131.04951	1.5
132.05695	0.3
133.06522	1.0
134.07253	0.2
135.04413	1.8
135.08060	1.4
136.05209	5.3
137.05969	2.5
143.04961	0.2
145.05008	0.2
145.06476	1.4
146.07289	1.3
147.08051	3.9
149.06009	0.5
149.09625	0.4
150.06760	1.6
151.07545	100.0
152.07883	1.6
153.09105	0.2
156.05676	0.2
157.06459	0.4
158.07268	0.4
159.02946	0.3
159.04172	4.2
159.08037	0.8
160.08870	0.8
161.05954	0.8
161.09604	1.0
162.06760	0.7
163.07556	3.6
164.08376	0.9
165.09114	8.9
166.09642	0.3
171.08023	0.9
172.08836	0.6
173.06012	0.4
173.09612	0.2
174.06804	0.5
175.07555	0.9
176.08327	1.2
177.09117	8.4
178.09697	0.4
179.10634	1.1
184.08847	0.4
185.09595	0.4
186.10399	0.8
187.07509	0.7
188.08324	1.9
189.05240	4.5
189.09070	3.2
190.06046	1.0
190.09904	0.3
191.10670	2.4
195.10147	1.1
197.04445	0.6
199.07617	0.2
200.08357	0.2
201.09081	1.1
202.09914	1.3
203.10683	3.0
205.12289	0.6
212.08295	0.3
215.10689	1.0
217.12257	3.7
221.11678	0.6
227.10727	0.2
231.05061	0.3
231.10152	0.2
233.11800	0.9
235.13289	0.5
243.10172	1.1
259.09848	0.2
261.11203	0.4
279.15936	0.3
291.13641	0.2
294.22827	0.2
297.17068	0.4
305.11865	0.2
308.14011	0.2
309.14917	0.5
319.13171	0.2
323.16391	1.6
324.17142	0.3
325.14041	0.2
339.12204	0.3
340.16696	11.6
341.17029	0.2
351.15927	0.7
353.17661	0.4
355.19049	24.7
356.19394	0.7
365.17493	0.4
373.20093	3.5
379.18924	0.3
381.17154	0.3
382.18015	0.2
383.18661	0.3
397.20270	0.6
399.14175	0.7
412.13739	0.2
414.16504	2.9
415.17209	0.4
423.11566	0.2
463.21124	0.6
481.22437	0.4
609.23444	0.3
639.24048	11.0
640.24463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90312	0.5
76.13440	0.5
104.13003	0.5
123.75468	0.6
168.09998	0.6
190.40289	0.6
209.10797	1.0
241.09851	0.6
271.91434	0.6
281.12631	0.8
311.13910	0.9
312.14856	0.9
314.16623	0.7
333.04315	0.6
338.16461	1.2
340.18152	0.6
372.17316	0.9
383.15982	0.8
386.18481	1.0
389.17554	1.6
390.18393	2.2
391.19202	2.6
400.20187	0.8
401.18109	0.7
402.18716	0.6
403.19354	3.1
404.19934	4.5
405.20810	14.7
406.21899	1.6
415.19238	0.9
417.20972	3.0
418.21332	2.0
419.17914	0.6
419.22449	9.7
420.23105	3.6
421.23679	1.8
426.17871	0.9
431.23004	1.1
432.23392	1.0
433.24091	6.2
434.24594	5.3
435.18295	2.2
445.20242	1.3
446.25336	0.7
447.21698	5.2
448.19141	0.7
449.19781	7.9
450.20682	3.5
451.21420	0.8
460.22369	0.8
462.20642	1.6
463.21149	8.4
464.22195	5.7
465.22910	9.6
473.19830	1.1
475.21332	2.6
476.22125	1.0
477.22934	5.2
478.23776	5.9
479.24445	30.7
480.24722	3.2
487.21219	3.7
488.22110	1.4
491.21027	3.0
492.25446	3.6
493.26010	26.0
494.26517	1.8
501.22849	2.0
502.23758	2.2
503.24866	2.8
505.22485	2.2
506.21732	0.6
508.21402	0.7
519.23828	3.3
520.24573	0.8
521.21466	0.9
522.22656	1.0
523.23486	11.5
524.23822	1.1
525.25360	0.9
536.24054	0.7
537.25012	34.3
538.25269	2.3
547.23468	6.8
549.21857	1.4
551.26556	18.8
552.27332	77.4
553.27484	4.3
562.23169	0.9
564.23657	1.0
579.26050	11.1
580.26270	0.9
607.25610	11.8
611.28754	1.3
639.28168	100.0
640.28540	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.06743	0.4
55.09410	0.4
67.05505	0.5
68.80827	0.4
69.10853	2.4
73.16328	0.4
79.05495	0.4
91.05517	0.4
95.08607	0.7
98.22718	1.1
107.08643	0.4
116.75604	0.4
197.10774	0.6
217.66992	0.4
221.10696	0.7
234.11732	0.4
261.14212	0.4
269.50653	0.4
280.91595	0.4
310.13672	0.4
312.15054	0.4
314.16473	0.5
325.15628	0.5
326.16354	0.6
340.14551	0.4
351.16998	0.5
354.15723	0.4
375.16116	0.6
376.17120	1.1
377.17648	1.6
378.18484	1.2
386.18820	0.6
388.17657	0.7
389.17978	1.3
390.18573	1.4
391.19141	6.1
392.19873	4.8
393.20724	1.8
398.18326	0.4
401.17633	0.4
403.19308	1.9
404.19940	2.4
405.20734	10.9
406.21487	6.1
407.22250	12.7
408.22876	0.6
416.20316	0.5
417.21039	1.8
418.21933	1.7
419.17792	0.6
419.22369	6.0
420.23053	6.4
421.17737	0.7
421.23825	16.3
422.17334	1.1
422.24496	3.4
431.17773	0.7
431.22595	1.5
432.18939	0.7
433.24237	4.3
434.24960	2.4
435.18167	2.8
435.25171	1.1
436.18906	2.2
445.20087	2.2
446.20349	0.6
447.21759	1.6
447.26505	0.7
448.19162	0.4
448.26230	0.8
449.19275	2.1
449.27292	0.6
450.20398	2.6
451.21198	12.1
452.21719	2.5
459.22443	0.6
460.22552	1.2
461.23166	1.7
462.20746	0.7
463.21317	2.3
464.21698	2.0
465.22845	16.5
466.23560	2.6
473.19882	1.5
475.24927	2.1
477.22797	2.3
478.23343	2.3
479.24350	0.9
487.21130	2.8
488.21951	2.0
491.19855	0.6
491.25446	0.6
492.21237	0.7
493.25922	1.7
501.22821	1.5
502.23581	0.7
503.24368	7.8
504.24667	1.4
507.27518	9.8
508.28091	3.0
518.25232	0.5
519.23785	1.4
523.23181	4.0
533.25623	1.1
535.27032	11.9
536.27246	1.5
537.25012	9.0
538.25464	1.0
543.24835	0.4
551.26489	4.7
552.27228	24.2
553.27551	2.3
561.24731	3.0
562.25067	0.7
563.26691	0.5
579.25928	7.0
580.26300	3.0
593.27118	1.0
595.29059	7.9
596.29401	1.1
621.27032	15.2
621.37207	0.8
622.27466	1.6
639.28070	100.0
640.28381	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2819
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05513	1.2
55.96347	0.3
57.03442	0.5
57.09917	0.3
67.05505	2.6
69.07085	1.1
79.05495	1.9
81.03436	0.5
81.07065	3.7
83.08618	0.7
91.05481	1.8
93.07031	2.5
95.04980	0.8
95.08611	1.7
97.10204	0.3
105.07047	1.4
107.05008	0.5
107.08582	1.6
109.06554	0.7
109.10191	1.1
109.85442	0.3
111.08110	0.3
112.45181	0.3
112.54741	0.3
117.07043	0.7
119.08557	1.6
121.10189	0.8
123.08120	0.4
123.11728	0.5
131.08574	0.7
133.10158	1.0
135.11768	0.3
145.10143	0.9
147.11703	0.8
149.09625	0.8
157.10236	0.5
159.11702	0.5
163.11227	0.4
172.04126	0.3
173.11819	0.7
175.11270	0.4
195.13936	0.5
204.06772	0.5
204.10252	0.4
223.46100	0.4
239.12192	0.4
239.18042	0.4
257.18985	0.8
258.99579	0.4
259.70053	0.3
275.20078	4.9
276.20444	2.1
291.19690	0.5
293.21109	2.7
294.21622	1.3
313.27713	0.4
326.18719	0.8
327.19403	1.4
331.19040	0.8
337.12463	0.3
340.14395	0.4
368.14276	0.4
379.19724	0.4
391.15506	0.5
393.17105	0.8
404.16809	0.4
405.17181	0.7
406.17972	0.6
407.18674	1.9
408.19330	0.5
419.14517	0.5
419.19174	0.7
420.15213	0.6
420.19974	0.7
421.20517	4.7
422.21011	1.1
423.21829	0.8
432.19687	0.4
433.15997	0.5
433.20663	1.1
434.17505	1.3
435.18292	1.9
435.22589	1.2
436.22983	2.3
437.23065	0.6
445.16510	0.6
447.17380	0.5
447.22302	1.1
448.18851	2.2
449.19705	8.8
450.20319	2.8
459.18326	0.8
460.18796	1.0
461.19983	1.3
462.20700	1.3
463.21622	5.1
464.22205	4.9
465.23480	0.8
473.19873	0.6
474.20490	0.9
475.21585	2.1
476.18509	0.5
477.18793	5.1
478.20016	2.3
479.20837	0.7
491.20859	0.6
492.21677	1.1
493.22644	1.5
495.24152	1.0
503.20709	0.6
505.22910	0.9
507.23740	1.1
519.24152	0.4
521.22150	1.0
522.26404	0.5
523.22803	2.1
533.22577	1.0
535.23712	3.1
536.24036	1.8
537.21716	1.5
549.22382	0.4
550.25677	1.2
551.26697	3.2
561.24957	4.1
563.22778	0.4
564.23773	4.6
565.24603	2.7
566.23987	0.4
567.25824	0.5
579.25989	6.8
580.26697	0.8
581.24243	0.8
592.23773	0.4
595.25549	2.4
596.26050	0.8
607.25787	0.7
610.27905	0.9
621.27264	4.9
621.37775	0.7
622.27039	0.5
624.25720	4.6
624.34729	0.4
625.26624	0.5
639.28333	100.0
639.39197	16.3
640.28522	8.0
640.39075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05518	1.2
60.34117	0.7
67.05503	1.9
70.64681	1.5
74.75625	0.6
79.05495	2.0
81.07059	1.9
83.08599	1.1
91.05507	1.3
93.07038	2.0
95.04965	1.4
95.08603	1.3
96.49245	0.7
105.07046	1.2
107.08638	0.9
109.10197	1.0
109.95393	0.8
119.08630	1.3
120.28501	0.6
121.10140	0.6
123.31867	0.6
133.10207	0.8
149.58801	0.7
151.11171	0.9
169.72104	0.7
193.12265	1.8
194.12787	1.0
202.15897	1.8
203.16144	0.8
223.12393	0.9
224.13153	0.8
240.02025	0.7
275.15262	0.7
275.19931	0.9
293.21082	1.2
300.13699	2.4
301.14008	0.9
320.86261	0.7
349.17780	1.3
362.15384	0.8
374.15881	0.9
375.16354	1.4
376.16971	1.7
378.18890	0.7
388.17334	1.0
389.17609	3.2
390.18582	2.7
391.19415	1.9
397.55762	0.7
400.17102	0.7
401.17719	2.3
402.18692	2.2
403.19232	4.9
404.20474	4.1
405.20813	3.9
406.21552	0.9
407.22302	1.2
412.16592	0.9
413.17664	1.3
414.18439	1.6
415.14584	1.0
415.19318	3.2
416.20108	2.1
417.21237	4.1
418.17291	1.6
419.22559	4.6
420.23157	2.4
426.18521	1.3
427.19308	2.4
428.19949	1.6
429.20773	3.2
430.17010	1.0
430.22089	1.5
431.18484	3.0
431.23077	2.0
432.19196	1.2
433.19510	7.2
433.25098	1.5
441.21252	1.6
442.21808	1.1
443.22498	2.7
444.23584	1.4
445.19299	3.8
446.20718	4.3
447.21796	6.1
453.17245	1.1
455.18134	0.9
457.24243	1.9
458.20755	1.9
459.22171	5.8
460.22513	2.3
461.19421	1.6
462.20746	1.1
469.20493	2.0
470.21133	1.8
471.22336	1.5
472.18253	1.7
473.19547	4.2
473.24368	2.3
474.19522	4.3
475.21136	7.4
476.22113	1.5
478.23645	1.3
483.22238	3.4
484.22656	2.2
485.23199	2.9
487.21494	6.6
488.22061	7.8
489.22842	2.7
491.20511	8.0
498.20581	2.0
499.21326	1.1
500.22125	1.6
501.22986	8.9
502.24237	6.4
503.24176	2.7
505.25961	2.3
506.26370	3.4
511.21191	1.7
515.20697	1.2
517.22546	3.0
518.22968	1.1
519.23859	3.0
527.24188	1.0
529.22437	1.2
530.23145	1.2
531.24353	3.5
532.24603	1.5
533.25616	8.6
534.26331	12.6
535.26898	1.1
543.23981	2.5
544.24847	1.1
547.22980	0.8
551.26660	1.0
559.23163	1.0
560.24243	1.1
561.24951	55.4
562.25372	5.7
571.23193	5.7
589.24377	11.5
590.24420	0.9
593.27740	1.4
603.26056	6.6
607.24884	1.4
621.26996	100.0
622.27191	6.6
639.28174	94.9
639.38452	12.0
640.28540	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62596	0.7
55.05498	3.3
57.92058	0.8
58.06586	2.8
64.23903	0.7
67.05495	2.4
69.07066	1.1
69.24103	2.0
69.24512	2.6
72.08158	5.5
73.06561	0.7
79.05483	1.6
81.07038	3.5
83.04971	0.8
83.08614	1.2
86.09708	10.9
91.05472	1.7
93.07034	1.2
95.04952	2.2
95.08586	1.5
96.05283	0.8
97.10143	0.8
100.11256	45.0
101.06029	1.2
107.04924	1.0
107.08571	2.1
115.34050	0.7
119.08488	1.1
125.09628	0.9
131.08589	0.8
133.10066	0.9
140.14276	1.6
145.10062	0.9
146.11647	1.6
147.08162	0.7
147.11723	1.0
160.52097	0.9
163.11200	2.1
185.37639	0.9
223.13303	1.4
228.15868	2.7
275.20065	2.0
276.20206	0.9
285.21747	2.1
291.19498	2.5
292.19879	1.5
293.21082	3.2
294.21393	2.5
299.23248	3.1
313.21219	1.2
313.27280	1.1
327.22800	5.8
331.18817	7.2
349.16254	1.2
349.19934	15.8
365.16602	1.6
395.25195	1.3
458.32129	2.5
611.43689	13.8
612.43195	1.1
614.73364	0.8
639.36743	100.0
640.37213	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05504	4.1
63.76857	0.5
67.05497	4.0
69.07065	1.9
69.42392	2.3
71.08661	0.5
79.05489	3.9
80.05820	0.6
81.03388	1.1
81.07047	6.3
82.07366	1.0
83.04960	1.2
83.08624	2.0
91.05487	2.4
93.07024	3.1
95.04970	6.2
95.08604	2.2
96.08890	0.8
97.10152	2.5
105.07021	3.4
107.04922	1.2
107.08601	2.1
108.08932	0.8
109.06519	0.7
109.10162	1.2
111.08085	0.9
117.07007	1.6
119.08573	2.6
120.08909	0.7
121.10128	1.3
123.08073	0.9
125.09646	1.6
131.08582	1.3
133.10124	1.3
135.08080	0.9
135.11694	1.2
143.08565	0.7
145.10121	1.7
147.08046	0.7
147.11694	0.6
149.09639	1.7
151.11163	0.8
152.11661	0.7
159.11700	0.7
161.09576	0.7
163.11154	1.9
164.11478	0.9
169.10066	0.6
177.12778	0.7
187.07184	0.8
189.11227	1.4
190.11610	0.6
190.67812	0.6
193.12167	0.6
223.13229	1.0
249.15092	0.7
264.33664	0.5
273.18588	1.5
274.18726	0.9
275.20071	1.9
276.20422	1.5
277.21637	1.7
278.22131	0.6
291.19522	5.4
292.19864	4.4
293.21039	6.5
294.21411	4.4
295.22394	0.7
331.18784	3.8
349.20050	0.7
430.16336	0.6
529.72833	0.6
561.24896	2.8
562.25159	0.9
597.26727	0.7
621.26953	3.6
621.37720	4.3
622.27557	1.5
622.37341	0.6
639.28802	4.8
639.38544	100.0
640.38684	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99681	0.5
55.05501	1.0
67.05504	1.3
69.07062	1.4
69.24672	2.2
69.25076	1.0
72.41042	0.5
75.79205	0.5
79.05496	1.3
81.03445	0.8
81.07058	2.9
84.84792	0.5
86.43491	0.5
91.05482	1.0
93.07030	1.2
95.04956	1.4
95.08591	1.2
97.06511	0.7
98.22867	2.2
98.98465	0.5
105.07029	1.1
105.09814	0.5
107.04945	0.5
107.08594	0.7
109.10149	0.6
111.15732	0.5
117.07028	0.6
119.08546	0.6
121.10140	1.1
134.06003	1.9
147.07985	0.8
159.11697	0.6
202.15955	1.0
203.16183	1.0
204.06517	0.7
221.11372	0.8
221.17215	0.9
223.13405	0.5
274.19073	0.6
275.20148	1.0
286.13394	0.6
291.19562	1.4
293.20956	1.0
294.21234	1.1
301.14011	0.6
315.19229	1.8
329.16895	0.6
331.18729	3.8
337.11761	1.0
349.19766	0.8
396.20087	0.7
416.19101	0.6
419.18372	0.6
421.20499	0.7
433.20422	0.8
449.19211	1.2
461.19882	0.7
463.21490	0.9
465.22995	1.6
466.24747	0.6
472.18591	0.9
475.20892	0.7
492.21167	1.0
493.22217	1.3
494.22321	0.6
505.22232	0.7
506.23312	0.8
507.23526	0.9
532.20801	0.9
551.26062	0.7
561.24725	6.1
562.24896	0.8
579.26099	3.3
621.26703	5.7
621.37836	1.7
639.27997	19.0
639.38379	100.0
640.28412	2.2
640.38818	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75064	0.5
55.01857	0.7
55.05523	2.6
57.07079	1.4
58.06603	6.7
61.43232	0.5
67.05525	1.1
69.07071	1.2
69.59595	2.3
72.07784	1.0
72.08159	13.5
73.06557	1.3
73.54763	0.5
79.05496	2.2
81.03445	0.5
81.07059	2.5
83.04984	1.7
83.08625	1.0
84.08189	0.6
86.09712	21.7
91.05486	1.8
93.07037	1.3
95.04980	1.5
95.08634	1.2
97.10184	1.1
100.11258	100.0
101.06017	2.7
101.11604	1.2
105.07070	1.1
107.04967	0.6
107.08604	1.1
111.08067	0.6
117.07032	0.7
118.22863	0.6
119.08595	1.6
121.10242	0.7
131.08553	0.8
133.10175	0.7
135.11746	0.6
140.14334	3.0
145.10120	0.7
146.11784	2.2
147.11729	0.5
149.09619	0.6
149.59007	0.5
154.12277	2.0
154.15868	0.7
161.96887	0.5
170.94041	0.6
172.13354	2.7
200.12799	0.7
200.16475	1.4
214.14314	1.0
223.13457	0.5
228.15970	8.0
249.11168	2.6
267.11951	0.9
270.19556	1.0
275.19922	0.7
276.20322	0.7
277.21481	0.5
285.21756	4.5
291.19507	1.8
292.19864	1.6
293.21133	1.9
294.21390	1.1
299.23294	7.4
313.17807	0.7
313.21335	0.8
315.19354	2.9
327.19229	1.0
327.22775	11.2
331.16287	2.7
331.18866	3.7
347.18430	4.9
349.19977	3.1
365.70065	0.5
395.25259	0.6
412.31348	0.7
440.31281	3.2
458.32419	4.9
526.34430	0.9
539.36835	0.7
561.24658	0.8
601.91589	0.5
611.43829	28.9
612.43646	1.9
621.27222	1.1
621.36963	4.0
625.43073	0.6
639.37927	74.7
640.38507	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14102	0.4
55.20656	0.4
56.96554	0.4
60.08161	0.4
64.86369	0.4
67.05524	0.4
69.03445	0.4
69.07086	0.4
70.04093	0.8
78.39967	0.3
81.03428	0.3
81.07050	0.5
85.02926	0.4
91.05491	0.4
95.08608	0.5
97.06570	0.3
101.43363	0.3
107.08637	0.4
111.04213	3.0
114.20636	0.4
120.08125	0.7
131.08672	0.4
137.05972	2.4
151.07568	0.6
159.04182	24.1
167.07138	0.4
177.05536	0.4
187.07504	0.5
189.05232	27.1
190.06023	6.0
201.60712	0.4
205.04781	0.6
247.09494	0.5
249.11224	2.3
282.86548	0.4
301.09592	0.5
324.13251	0.3
399.14203	4.1
414.16501	5.8
415.17090	0.7
500.80679	0.4
641.25684	100.0
642.25867	7.0
642.34967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
70.17754	0.5
80.75063	0.2
81.22109	0.2
87.87711	0.2
91.77419	0.3
94.03979	0.2
94.06569	0.2
95.23389	0.2
120.08145	0.2
185.97237	0.2
241.55658	0.2
286.99179	0.6
314.12619	0.2
342.16141	0.3
370.06454	0.2
377.17688	0.7
378.18692	0.3
379.19348	0.9
391.14987	0.4
391.19360	1.3
392.20038	0.7
393.16794	0.3
393.20923	2.1
395.22513	0.3
404.20282	0.3
405.16650	2.1
405.21738	0.4
406.17215	1.3
406.22531	0.3
407.18500	0.8
407.22766	4.1
408.23178	0.8
409.24121	0.2
417.21042	0.3
418.17300	0.3
419.18234	2.8
419.23318	0.5
420.19113	1.9
421.15576	0.3
421.20251	4.5
422.20880	0.6
423.21924	1.1
433.20242	4.8
434.21329	3.9
435.21942	8.4
436.22577	1.7
447.22339	1.7
448.18665	0.7
448.23404	0.5
449.19571	8.0
450.20456	0.6
451.21484	0.4
453.22726	0.3
461.24182	0.4
462.20679	0.8
463.21091	3.6
464.22162	2.5
465.19046	0.8
465.23730	0.4
466.23926	0.4
467.24634	0.7
468.25226	0.3
475.21628	0.5
476.22198	0.5
477.22894	0.6
478.23941	0.3
479.20715	0.9
479.25781	0.3
480.21558	0.6
481.22076	2.3
489.23364	0.3
492.22079	0.3
493.21774	2.4
494.23016	3.6
495.23801	3.0
496.24945	0.3
507.24051	1.9
508.24368	0.5
509.25455	0.3
520.25079	0.3
521.25714	11.7
522.26007	1.2
523.26892	0.7
526.25928	0.3
535.23584	0.7
539.22552	1.6
549.25031	1.2
550.25916	0.5
551.26447	0.5
553.25763	0.8
563.26587	1.3
580.26971	0.3
581.27625	22.6
582.28162	2.3
595.28113	0.2
609.27167	0.7
610.27765	0.3
613.30426	0.6
623.28259	0.6
641.29700	100.0
642.30084	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
51.08133	0.9
55.05483	0.9
63.76560	0.7
64.36700	0.9
67.05490	2.5
69.13400	5.6
74.82225	0.7
76.72101	0.8
79.05491	1.9
81.07037	2.3
83.08629	1.2
91.05482	1.9
93.07049	1.2
95.04958	1.3
95.08611	1.9
105.07040	1.0
107.08581	1.1
109.10222	0.8
112.33811	0.8
117.07059	1.3
119.08592	1.5
124.75958	0.7
131.08543	1.1
135.36703	0.8
145.10129	1.1
151.97905	0.8
156.90158	0.8
209.10689	0.9
225.13828	1.1
227.11832	0.9
238.11024	0.8
238.14772	1.0
239.11842	1.9
239.15486	1.4
251.15410	1.0
275.20065	1.6
276.20532	1.1
294.21231	1.3
295.22516	1.1
306.16159	0.8
312.14893	1.0
313.15491	1.3
315.22873	0.8
318.16000	1.2
332.17661	1.3
333.20175	3.0
333.24106	1.0
345.47745	0.9
346.19064	1.0
384.17041	1.6
389.17389	1.1
392.19922	2.0
393.20700	1.1
402.18277	0.8
403.19266	3.0
404.20004	1.6
405.21014	2.7
406.21289	2.2
407.22314	4.4
412.16736	1.4
415.19690	1.4
416.19855	2.0
417.20892	3.0
418.21555	2.1
419.22037	2.7
420.23010	2.2
421.23892	4.2
422.24634	5.6
426.18192	1.4
427.19009	1.1
429.20657	2.4
430.21927	1.5
431.22781	3.7
432.23135	1.3
433.24271	5.4
434.24609	5.7
443.22479	1.5
444.19101	2.9
445.19147	1.3
445.24011	2.8
447.18027	0.9
447.25870	1.5
449.23676	1.0
458.19992	1.1
459.21780	3.4
460.22455	2.6
461.19321	1.2
462.20187	4.0
463.21204	3.1
473.23370	3.6
474.16467	1.4
474.24026	2.6
475.21405	4.4
476.21667	1.6
477.17505	1.1
477.23001	12.1
478.23044	0.9
487.25293	4.2
489.23318	1.5
490.23560	1.1
491.24542	4.4
503.24512	1.1
504.24652	1.3
505.25928	2.4
506.26520	2.7
515.24329	1.8
518.23706	1.1
519.27325	2.4
535.23474	1.8
545.25421	8.5
546.26056	1.2
547.27118	14.7
548.27100	1.5
549.25061	8.1
550.25793	15.0
551.26208	1.1
563.26123	2.6
564.26984	2.7
579.29504	6.4
581.27045	1.0
591.25946	10.9
605.27557	16.9
606.27197	1.8
609.27295	8.7
623.28644	100.0
624.28882	8.3
640.39471	1.0
641.29132	8.8
641.39984	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69357	1.0
67.05502	1.9
70.75609	1.4
79.05505	1.1
80.94728	0.9
81.07059	1.9
86.26629	0.9
89.92778	0.9
91.05480	1.6
93.07050	1.7
105.07033	1.3
113.74100	0.9
145.72992	1.0
147.07994	0.9
196.38994	0.9
295.15436	1.0
338.00720	1.1
455.58328	1.0
575.02637	1.0
623.43359	1.1
641.38220	100.0
642.38733	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73227	0.3
54.38529	0.4
55.05500	0.6
56.05027	2.4
58.06589	0.7
61.02916	0.4
65.97079	0.3
66.92039	0.3
67.05507	0.7
69.07065	0.9
69.46556	1.6
70.06580	0.7
74.06076	6.9
79.05491	0.7
81.03372	0.5
81.07058	0.7
82.06587	0.6
84.04494	9.2
85.02888	0.8
86.06099	0.5
86.09698	100.0
87.10024	1.3
91.05471	0.7
96.04475	0.9
97.02905	0.6
97.06534	0.5
98.09681	0.7
98.22710	0.8
100.07610	0.4
101.07130	1.7
102.05537	8.8
102.06220	0.5
105.07024	0.4
110.06044	0.8
112.03970	0.7
112.07626	1.0
112.11232	8.8
121.06493	0.5
122.06033	0.6
124.07557	0.5
124.11215	0.8
125.10765	0.8
126.09156	0.7
128.07057	0.6
129.06612	1.6
130.05016	1.6
132.10205	0.8
139.08617	0.7
140.07057	5.8
141.06587	1.1
142.08601	0.5
142.12270	2.3
142.13269	0.3
145.09735	0.4
147.04454	0.4
150.05547	0.4
151.07547	0.6
151.18622	0.3
152.10699	3.4
154.15895	4.3
155.08154	1.4
157.13358	10.3
157.14572	0.7
158.08128	2.0
159.07616	0.5
167.08171	1.7
168.06552	2.1
169.05981	0.5
169.13377	1.7
169.14636	0.4
170.04501	1.7
170.11720	3.2
173.09248	0.7
180.10257	0.8
181.04973	0.9
185.09212	3.6
185.12830	7.4
187.14445	1.5
195.07678	1.1
195.14978	0.4
197.12833	8.2
199.18048	6.9
201.08778	1.0
203.10260	6.3
203.14027	0.6
207.11391	0.4
213.08707	6.1
213.15981	0.8
215.10738	0.5
215.13887	13.0
223.14471	1.6
225.12332	1.6
225.19604	6.4
227.17493	4.1
231.09735	8.1
237.12288	0.9
241.08353	0.6
241.15462	1.5
243.13388	4.9
251.14027	0.6
253.15396	1.1
253.19080	2.8
255.13449	0.9
267.24249	0.5
268.16486	3.8
269.14911	0.7
271.16565	1.5
280.16312	0.5
281.14801	0.7
283.12878	0.9
283.20239	1.4
284.12411	0.9
286.17517	2.1
298.17636	1.6
298.21280	3.8
299.15921	2.3
308.16040	0.9
310.21240	1.1
311.19608	0.5
314.16977	0.6
316.84189	0.4
326.17108	6.6
326.20715	0.3
334.17734	0.4
336.22595	0.5
338.20728	5.7
341.10123	0.5
344.18155	5.5
352.18762	0.9
354.16663	0.9
356.21771	2.4
364.22238	0.8
369.21402	0.6
370.19922	0.4
371.26566	0.5
379.19751	1.1
381.24887	2.7
383.30096	1.2
394.23404	0.9
397.20825	2.6
399.26212	1.0
409.24396	5.7
411.29947	0.8
412.24411	1.1
413.17850	0.5
415.21863	2.6
421.24399	0.4
427.25684	1.8
439.25409	4.4
447.25748	0.8
449.31686	0.5
457.26599	1.5
465.27045	1.6
466.26627	0.6
469.20529	0.5
482.29306	0.7
483.28067	2.3
492.28073	3.4
494.33463	0.8
500.31061	1.0
507.32050	0.6
510.29187	14.7
511.29303	1.3
512.34888	0.5
520.98547	0.4
522.32599	1.5
525.32794	0.9
528.30164	5.9
529.30762	0.6
540.33710	1.0
552.33752	0.4
569.36768	0.6
577.37146	0.5
578.35449	1.5
579.34546	0.9
595.38025	1.2
596.36481	2.8
597.15747	0.6
605.36530	3.0
613.39111	5.1
614.40106	0.4
623.37549	14.7
624.37805	1.4
641.14581	1.4
641.29572	5.6
641.38788	4.2
642.32062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49210	0.3
51.95243	0.3
54.84732	0.3
55.05513	1.0
56.05516	0.3
66.34480	0.4
67.05502	1.4
69.07072	0.4
71.22754	0.5
72.43951	0.3
73.22392	0.3
73.58710	0.3
78.38742	0.3
79.05507	0.9
80.31073	0.3
80.58237	0.4
81.07069	1.3
84.74969	0.3
86.73746	0.3
91.05500	1.1
93.07040	1.2
93.63937	0.4
95.08628	0.7
97.10172	0.5
103.03316	0.3
105.07025	0.9
107.04948	0.5
107.08599	0.7
109.10184	0.4
117.07037	0.7
119.08560	0.6
131.08595	0.4
143.08537	0.3
145.10124	0.4
147.11710	0.5
149.09615	0.6
161.09549	0.4
163.11157	0.4
165.12822	0.4
249.10945	0.5
275.20068	1.2
276.20499	0.8
277.21658	0.7
282.22293	0.4
291.19540	0.7
294.21399	0.6
331.18762	1.8
333.20392	8.2
333.24332	0.5
346.77176	0.4
351.21445	3.0
395.18347	0.4
437.19485	0.9
447.17816	0.6
448.18936	0.7
449.19727	0.7
462.20660	0.4
477.22803	0.8
480.21494	1.0
493.22119	0.5
494.22849	1.4
495.23846	5.6
496.24478	0.5
507.24121	0.7
508.24109	0.4
529.31677	0.8
535.23364	0.5
543.32916	1.6
559.32849	0.7
581.27673	12.1
582.27960	1.6
594.25488	0.5
609.27063	0.5
623.25006	0.5
623.38983	1.6
641.29608	10.2
641.40106	100.0
642.29584	1.3
642.40332	6.9
645.32959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52996	0.3
64.24737	0.3
65.11401	0.2
66.59495	0.3
67.05527	0.7
67.59890	0.2
69.07043	0.4
69.71141	0.9
79.05502	0.9
80.05801	0.3
81.07079	0.7
87.53980	0.3
91.05463	0.6
93.07070	0.5
95.04978	0.8
105.07037	0.6
107.08562	0.4
109.10210	0.4
117.07109	0.4
119.08598	0.7
120.40295	0.3
129.07031	0.3
196.51822	0.3
226.39651	0.3
249.10948	0.4
250.11443	0.3
275.20074	0.6
276.20532	0.6
293.21329	0.3
331.18787	1.7
333.20352	9.2
333.24341	0.5
351.21732	0.5
529.31384	0.8
543.33130	0.7
559.32104	0.3
623.29297	0.4
623.39325	1.1
641.40216	100.0
642.30695	0.3
642.40460	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
67.05519	1.6
67.58568	0.3
68.80758	0.3
69.07062	0.5
71.47703	0.3
79.05504	1.1
81.07057	1.4
83.08629	0.4
91.05473	1.3
93.07024	1.5
95.04964	0.8
95.08604	0.7
105.07043	1.2
107.08607	0.6
109.10173	0.5
115.72329	0.3
117.07051	0.4
119.08592	0.8
121.06529	0.4
121.10060	0.4
125.09579	0.3
129.07001	0.4
133.10062	0.6
135.11691	0.5
143.08632	0.4
147.11578	0.3
159.11649	0.4
195.10027	0.4
201.23689	0.4
221.11635	0.3
227.12904	0.3
249.11101	0.5
291.19659	0.7
295.22629	0.6
315.19235	0.7
331.18781	1.9
333.20346	9.3
347.18060	0.4
349.19901	1.4
400.19498	0.3
538.53723	0.3
560.08942	0.3
571.32080	0.4
623.28912	0.7
623.38623	3.2
641.40143	100.0
642.29626	0.5
642.40515	10.9
644.26422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.31231	0.2
55.05531	0.2
57.03428	0.2
58.34985	0.2
62.95067	0.2
69.03432	1.4
69.96558	0.2
71.07342	0.3
71.48514	0.3
73.09870	0.2
81.03407	0.7
85.02903	2.0
87.27339	0.3
95.18307	0.2
97.02293	0.4
97.02885	2.6
97.93004	0.3
109.02926	0.4
127.03928	1.2
135.04413	0.5
151.07578	0.7
172.05220	0.7
199.07491	0.3
207.08121	0.3
214.06216	0.4
215.06964	0.4
219.08025	0.5
221.09624	0.4
223.07487	0.5
229.08627	0.7
230.09355	3.5
234.06778	0.6
235.07495	1.6
237.09215	0.4
247.07452	1.2
248.08313	1.1
249.09076	1.2
250.06357	0.4
250.09811	0.7
251.07013	2.1
252.07755	0.3
253.08670	0.4
257.08041	0.5
261.05591	0.4
261.09070	0.6
262.06241	0.8
263.07059	2.4
264.07828	0.8
265.08597	1.0
266.05786	1.1
266.09396	0.5
267.10080	0.4
275.07013	2.3
276.07672	1.3
277.05658	0.4
277.08514	2.5
278.09384	2.0
279.06546	1.3
279.10062	0.6
280.07047	0.6
280.10837	0.3
281.08051	0.5
281.11710	0.5
288.07721	0.3
289.05560	0.4
289.08667	1.0
290.05688	0.8
290.09113	0.3
291.06503	1.9
291.09778	0.5
292.07254	0.5
293.08044	1.8
294.08716	2.0
295.09616	0.6
296.10165	0.4
303.06427	0.4
304.07230	0.7
305.08044	6.2
306.08835	7.9
307.06073	1.2
307.09592	2.8
308.06839	0.3
308.10403	6.1
309.07581	1.3
309.11121	10.2
310.11475	0.4
311.12836	0.4
319.05984	0.6
319.09686	2.3
321.07578	0.8
321.11115	0.5
322.08252	2.2
323.08994	1.1
324.09879	3.4
333.07535	1.9
334.08310	9.0
335.05423	0.5
335.09018	1.0
337.10678	15.0
338.11322	2.1
339.12228	4.4
347.09088	1.2
350.07761	2.8
351.08273	0.4
352.09390	1.5
353.10275	0.4
365.10172	8.1
366.10583	0.3
368.08826	0.6
380.13312	0.3
383.11221	100.0
384.11572	4.7
523.47333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01868	1.9
55.05516	0.8
61.02937	1.6
65.03973	0.6
66.04724	0.6
69.03427	6.4
70.06601	1.1
71.05013	1.1
73.02914	1.4
79.05492	1.6
80.82251	0.6
81.03416	6.7
81.07086	1.0
83.04968	0.7
85.02905	14.1
85.35512	0.6
86.09706	0.8
87.00828	7.8
91.05466	5.6
91.05893	0.5
93.07046	1.1
94.04192	2.1
95.04984	3.3
97.02888	6.9
99.04439	2.4
100.11268	1.6
101.06047	0.8
103.05467	2.5
105.01874	4.8
105.03369	0.6
105.07037	4.2
107.04948	5.0
108.05753	1.5
109.02890	5.8
109.06517	1.5
111.04446	2.4
115.05434	1.0
117.06992	1.7
119.04955	1.0
119.08550	1.1
121.06495	6.7
122.03654	4.8
123.04427	0.9
127.03911	8.2
128.06233	0.9
129.07010	1.2
131.04944	5.1
131.08665	0.7
133.06480	20.7
135.04413	1.7
135.08052	2.1
136.05193	5.5
137.05974	94.2
138.06332	2.5
143.04851	0.7
143.08537	0.8
145.02977	0.8
145.04980	2.5
145.06470	2.8
146.07275	3.9
147.04424	1.1
147.08057	9.7
149.05994	1.8
150.06743	2.9
151.07538	100.0
152.07932	1.7
155.08502	0.7
157.06551	1.5
159.02931	1.5
159.08034	1.5
160.08797	0.8
161.05937	2.9
162.06746	2.2
163.07541	11.8
165.09114	9.1
167.07074	1.2
169.06352	0.8
171.08037	2.1
173.05948	1.0
174.06760	1.6
175.07530	4.7
177.05548	0.8
177.09103	27.1
178.09424	0.9
181.08537	0.7
182.15329	1.4
186.10402	1.2
187.07562	2.4
188.08327	2.3
189.09044	5.4
191.10660	2.1
193.08592	1.2
195.10167	1.3
201.09119	2.6
202.09882	2.1
203.10689	8.6
210.14751	1.6
211.09601	0.8
213.03815	1.0
215.10681	1.5
217.12213	2.8
219.10258	1.2
221.11659	1.9
227.06889	0.8
229.08461	0.7
231.04927	1.5
231.09995	0.9
235.13239	1.2
243.10184	1.5
261.11426	0.6
278.12906	1.5
301.11975	0.6
309.14828	14.1
310.15265	0.6
326.15149	7.6
327.15826	1.3
337.14261	0.7
339.15677	1.2
341.17456	58.5
342.17712	3.8
344.91241	0.6
359.18536	16.9
360.18756	1.6
365.17352	2.8
383.18570	3.0
407.18039	1.2
425.19287	1.7
449.19736	3.8
467.20172	1.8
489.15875	0.7
625.41675	1.1
642.24823	1.5
643.21619	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59281	0.3
55.01860	0.8
55.05514	1.9
57.03429	1.8
61.02925	2.8
67.05223	0.3
67.05505	3.1
69.03400	1.3
69.07043	1.3
69.57704	1.1
70.06567	0.9
71.04970	0.8
72.08134	0.3
73.02927	1.4
79.05492	5.1
81.03401	1.1
81.07055	4.4
83.04951	1.2
83.08612	2.9
85.02409	0.3
85.02903	3.9
91.03460	0.3
91.03957	3.1
91.05479	1.5
93.07044	9.0
95.04950	2.7
95.08601	10.9
97.02885	3.2
97.06487	0.9
99.04411	1.5
103.05402	0.5
105.07031	2.2
107.04960	3.3
107.08587	7.3
109.06469	0.5
109.10126	0.8
111.04419	0.8
117.07008	2.2
119.04926	0.5
119.08566	3.7
121.06516	2.2
121.10136	4.6
125.05943	1.3
127.03869	0.9
131.04915	0.6
133.10144	1.0
134.08070	0.3
135.08061	0.8
135.11690	18.9
136.11986	0.3
137.05981	2.9
138.06303	1.2
139.07527	0.7
142.52199	0.3
143.08070	0.3
145.04938	1.0
145.06506	0.3
145.08963	0.5
145.10114	9.9
147.04387	3.2
151.03876	0.3
151.07521	0.4
161.05905	0.4
163.05980	1.3
163.07520	1.3
163.11172	27.9
164.07864	0.5
164.11577	0.4
167.07021	2.1
168.07405	0.6
173.09641	0.4
177.05403	0.5
179.07117	0.4
181.08688	0.4
181.12221	6.2
209.11737	1.1
227.12764	44.1
228.13159	0.9
283.15381	100.0
284.15845	2.0
301.16425	9.1
309.09833	0.4
318.06802	0.7
358.17386	0.9
445.20468	0.6
559.29639	0.3
571.14893	0.3
642.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42358	0.3
55.01847	0.3
61.02930	0.3
65.03937	0.4
67.05460	0.4
69.03424	0.5
70.06564	0.3
75.04459	0.7
78.04713	0.3
79.05480	1.1
80.06251	0.5
81.03384	0.4
85.02890	1.6
90.04695	0.4
91.05474	3.1
93.07013	0.4
95.04974	0.9
97.02865	0.7
98.23534	0.7
103.05449	0.6
105.03397	0.3
105.07020	1.0
106.04167	0.6
106.34378	0.3
107.04947	5.1
108.05748	3.1
109.06511	0.9
115.05449	0.4
117.07010	0.8
118.04136	0.4
119.06032	0.3
120.05736	0.3
121.06520	2.4
123.04430	0.8
123.08103	0.4
127.03886	0.3
129.06969	0.4
131.04910	1.2
133.06464	1.4
135.04405	1.7
135.08023	1.1
136.05200	4.8
137.05968	2.6
138.06720	1.2
139.07549	0.4
143.08510	0.3
145.06483	1.4
146.07253	1.6
147.04422	0.3
147.08061	1.9
148.05186	5.4
149.05936	0.6
149.09666	0.3
150.06757	1.1
151.07533	100.0
152.07869	2.7
153.09093	0.5
158.07097	0.3
159.08046	0.8
160.08826	1.1
161.05972	2.7
161.09579	0.7
162.06754	0.5
163.07536	4.4
164.08275	0.6
165.05484	0.8
165.09113	5.3
166.06252	10.1
167.07059	3.1
168.07800	0.4
171.08034	0.7
172.08859	0.7
173.06003	1.3
173.09610	0.3
174.06779	0.6
175.07503	1.0
176.08324	2.2
177.05493	0.4
177.09109	8.9
178.09766	0.5
179.06982	1.1
179.10661	1.9
180.07814	0.9
181.05304	1.3
181.08586	65.2
182.08966	1.6
183.04692	0.3
186.10428	1.2
187.07571	1.5
188.08327	2.3
189.09076	3.8
190.09871	1.0
191.06989	1.8
191.10654	4.4
192.07753	0.5
193.08580	3.0
194.09383	0.6
195.10139	2.3
197.97029	0.3
201.09052	1.9
202.09874	2.2
203.06973	0.5
203.10652	5.5
204.11354	0.3
205.08601	0.7
206.09479	0.5
207.10143	3.0
209.11702	0.5
215.10654	0.7
216.11449	1.3
217.08659	0.5
217.12206	4.7
218.09216	0.4
219.10197	0.9
221.11740	2.4
223.41776	0.3
232.10880	0.3
233.11697	2.3
235.13246	0.9
247.13251	1.7
251.12753	0.6
265.14444	0.6
273.03027	0.3
321.14877	0.3
322.15625	0.7
338.15140	0.5
339.16046	0.8
353.17371	2.1
354.18228	3.1
357.88159	0.3
370.17725	11.0
370.22418	0.6
371.18127	1.1
385.20062	43.6
386.20496	2.6
403.21133	37.5
404.21472	2.3
642.45172	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05535	1.8
78.67561	0.6
79.05544	1.4
81.07102	1.8
91.05514	1.0
93.07080	1.4
95.08655	1.2
105.07048	1.2
107.08669	1.2
119.08656	1.2
125.09698	0.7
133.10234	0.6
157.10255	0.6
286.99161	1.5
328.81207	0.6
331.19147	0.7
333.20636	0.8
337.97336	0.6
396.12283	0.8
397.13150	1.2
398.13782	0.8
410.13687	1.5
411.14532	4.2
412.15533	3.2
413.16022	1.4
423.14774	1.0
424.11200	1.3
425.11734	0.6
425.16327	8.7
426.16870	6.8
427.17560	1.4
428.18271	1.4
438.12469	1.1
438.17548	1.7
439.13702	11.9
440.13785	1.5
440.19296	3.9
441.19266	30.0
442.19373	3.8
452.14844	2.4
453.15100	11.1
454.15573	3.7
463.22070	2.0
467.17224	22.4
468.17804	13.7
469.18661	13.4
470.19095	1.2
471.16550	0.7
480.17255	0.9
481.14822	13.5
482.15475	3.8
485.18341	1.6
495.16150	1.3
495.20871	0.9
496.17142	13.6
496.23685	0.9
497.18005	3.5
499.20105	0.9
503.64600	0.7
509.18832	2.0
510.20496	0.6
512.20258	1.4
514.22156	2.1
522.17999	1.0
523.20087	1.3
527.22852	2.7
555.22443	22.8
556.22845	2.8
583.21924	100.0
584.22229	11.8
587.25092	1.6
611.21606	2.2
615.24426	9.2
616.24335	1.2
642.40741	1.0
643.23950	69.1
643.40442	13.5
644.23926	8.1
673.34827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69603	0.3
55.00337	0.3
67.05517	0.5
79.05546	0.4
83.07964	0.3
83.09950	0.3
95.08630	0.4
105.07057	0.6
109.10161	0.4
109.78549	0.3
130.48022	0.4
168.98335	0.3
178.34486	0.5
263.72348	0.4
276.60611	0.4
312.57437	0.4
314.68103	0.4
338.46881	0.4
643.25305	100.0
643.39764	7.2
644.25537	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58997	1.3
81.07046	1.3
89.01863	1.2
91.05463	1.5
93.07037	1.9
95.08606	1.4
103.23404	1.1
105.07037	1.5
107.08625	1.3
133.12392	1.2
139.29149	1.1
209.10771	1.6
210.11501	1.4
222.11444	1.6
223.12285	2.4
234.11415	1.9
235.12315	2.0
247.12256	3.9
248.13091	1.4
249.13916	2.6
261.14072	2.1
272.12817	1.7
273.13702	2.3
274.13480	2.0
275.15338	2.2
283.79816	1.3
287.15488	1.5
304.14468	2.5
318.15863	2.3
338.16214	1.3
350.16205	1.5
351.16458	2.3
353.18744	1.6
360.14294	1.5
362.15887	2.2
364.17819	2.6
365.18002	2.5
376.17599	1.8
377.17834	3.3
378.19269	1.5
379.19308	5.7
380.20358	2.8
381.20905	3.4
389.17886	2.0
390.18790	1.6
391.19131	4.8
392.20523	2.2
393.16656	1.7
393.20856	4.1
398.18698	1.9
405.21094	2.5
406.22128	1.5
407.18509	4.7
407.23038	2.2
408.19235	4.7
409.19901	7.2
419.18195	2.2
421.19788	7.7
422.21173	8.4
423.22015	21.3
424.22778	3.2
431.18860	2.6
433.20093	3.0
434.21252	2.0
435.22220	6.9
436.22467	4.8
437.23901	8.0
442.21017	2.0
446.21164	2.1
447.21640	3.5
449.18808	2.2
449.23813	2.7
451.20267	2.3
451.24866	6.1
452.19989	2.1
454.20166	3.8
461.23529	9.1
462.22186	1.4
463.21393	2.4
464.22040	2.0
465.23190	6.3
467.20761	2.6
468.21011	1.8
477.22690	1.8
478.23419	1.6
479.25342	10.0
480.24716	5.3
481.22162	14.0
482.22641	5.2
483.23505	1.9
494.23120	10.8
495.23996	8.3
496.24634	11.1
497.25494	11.8
505.22623	2.4
507.23816	2.2
508.24200	2.8
509.21567	4.2
511.26990	2.3
512.27539	2.6
523.23529	17.3
524.23907	8.4
539.27240	6.7
540.25580	1.5
541.24023	2.6
551.22571	2.7
556.26154	1.4
567.25940	15.2
569.23828	6.2
581.27203	1.9
583.16833	2.1
583.25464	41.8
584.26025	6.6
599.28601	59.8
600.29004	4.6
601.26636	1.9
611.24945	100.0
612.25208	5.0
643.27094	7.5
643.39679	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13596	0.8
52.50834	0.6
65.03977	0.7
67.05508	1.2
69.63766	2.3
71.47567	0.6
77.01243	0.6
79.05503	1.5
80.05025	0.9
82.06614	0.8
89.03931	0.7
91.05499	1.5
92.05071	0.8
93.07063	1.8
94.06555	5.2
95.04961	0.7
95.07345	1.8
96.08147	5.0
97.06512	0.7
98.22739	1.0
103.57922	0.6
106.06563	1.0
108.04495	3.3
108.08109	8.8
110.09684	8.2
116.04976	2.7
118.06542	1.4
120.04482	3.7
120.08113	7.7
122.06030	4.8
124.07603	5.4
134.06027	3.6
136.07568	8.5
138.09131	10.5
138.42880	0.6
144.04430	5.9
146.06007	7.1
148.07556	3.0
152.07100	1.7
160.03969	3.1
162.05508	4.4
164.07069	1.6
166.08638	10.8
172.03937	22.1
172.07605	1.1
174.05472	1.6
176.07091	2.9
183.09058	0.8
184.09938	0.8
186.09224	0.9
188.68773	0.6
190.04993	18.1
197.10799	2.6
199.12376	1.6
203.87613	0.7
204.06555	36.4
205.06949	1.2
209.10797	1.7
210.09279	1.5
211.08641	3.2
212.09369	1.2
213.10274	1.2
221.10747	0.9
223.08643	0.7
224.09444	0.9
225.10184	8.7
225.12210	0.7
226.10829	1.3
227.11792	14.6
229.13362	1.0
236.09416	1.2
237.10278	2.7
238.11043	1.3
239.11784	3.7
241.09705	1.7
241.13391	1.0
245.13034	0.9
249.10263	1.9
251.08031	0.8
251.11871	3.0
252.09003	1.4
253.09683	4.9
254.10542	0.8
255.11169	1.3
261.10352	1.1
263.08374	1.2
264.08975	3.2
265.09756	1.5
266.10583	0.8
267.11346	2.2
269.12814	17.9
270.13409	0.9
271.10748	9.0
273.12366	6.1
277.09784	1.3
279.11182	4.0
281.09317	0.7
281.12991	1.0
283.10843	5.2
284.11481	3.6
285.12326	4.6
286.13110	1.3
287.13910	14.7
295.10840	1.7
297.12323	7.5
299.13934	4.0
300.11523	1.1
302.12875	1.1
307.10843	1.2
311.14316	0.7
313.12961	1.9
314.13141	2.2
315.13718	2.0
316.10953	0.9
316.14496	1.6
321.12341	1.2
323.10294	6.4
324.11203	0.9
325.11807	23.1
325.15646	1.5
326.12500	1.3
326.16290	1.5
327.13651	3.2
328.10876	3.8
328.14484	2.4
329.15244	1.5
330.12439	1.1
330.16071	2.6
331.16733	1.3
339.13654	0.8
340.14609	1.2
341.11884	1.4
342.12274	6.4
343.13010	7.7
343.16867	1.1
345.14551	0.7
352.14606	1.1
353.12650	0.9
354.12344	1.2
354.16339	1.1
355.13660	1.2
356.13882	6.1
356.17596	0.7
357.14447	9.7
358.15457	3.7
365.11411	0.9
370.11493	0.9
370.15826	4.8
371.16580	1.2
378.18198	1.3
382.11853	3.3
383.12665	2.9
384.13107	3.9
385.14240	2.1
386.14902	2.2
386.18805	2.9
388.16733	0.9
390.18173	2.4
394.15717	1.0
398.15009	15.7
399.15771	25.7
400.16360	2.3
402.18353	1.2
404.16071	5.0
412.16730	2.0
413.17310	0.8
414.18369	3.9
416.16049	19.7
417.16635	2.6
422.17093	1.5
428.16275	2.2
430.17902	2.3
440.15970	5.3
446.17065	14.8
458.10602	1.5
458.17108	31.9
459.17490	1.8
460.19223	0.9
478.19763	2.2
490.19839	8.2
492.51633	0.7
539.25952	0.7
565.24658	3.2
567.26257	1.5
569.23846	5.9
583.25616	2.9
593.24011	9.4
594.24658	0.8
611.24976	100.0
612.25385	8.3
625.26617	0.9
642.46417	2.6
643.26703	4.3
643.46643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.0
64.61901	0.3
67.05486	0.8
73.99062	0.4
93.07012	0.4
118.87521	0.4
120.04465	0.5
122.06053	0.5
124.07623	0.4
136.07587	0.6
149.41475	0.4
170.62509	0.4
172.07629	0.8
174.09151	3.0
186.09283	0.5
187.08775	0.5
187.12326	1.1
188.10707	0.6
199.08783	0.5
213.10207	0.5
215.11855	0.8
225.10274	1.4
227.08192	0.5
227.11801	1.9
235.08685	0.4
239.11862	0.8
241.09625	0.5
243.11292	6.9
247.08664	0.4
251.08205	0.6
267.11249	1.1
277.09714	2.9
283.10913	0.7
291.11304	0.8
295.11093	0.5
301.15567	0.8
302.09399	0.6
304.10678	0.6
305.17776	0.4
314.13046	0.4
315.16403	0.6
316.10873	0.9
316.14301	0.6
318.12433	0.7
319.10788	3.9
322.15500	0.8
323.18893	0.9
326.13043	0.5
328.10928	0.5
328.14453	0.8
330.12363	0.9
331.13092	0.5
332.14066	0.6
333.17526	1.7
334.15482	0.6
340.10986	0.9
340.14490	0.8
341.11465	0.8
342.12231	0.7
343.13190	1.0
344.13885	0.7
347.16196	1.0
349.16931	1.2
350.14908	1.1
351.13754	2.1
351.19916	0.4
353.11752	0.6
354.12271	1.0
355.12991	0.9
356.13956	1.6
357.14838	0.5
358.11841	1.1
358.15613	0.8
359.12787	0.6
360.13095	0.6
360.17050	0.6
367.13443	0.7
367.17838	1.3
368.13965	1.7
369.19516	0.6
370.15662	2.4
371.12323	0.5
372.13293	0.9
374.19562	0.4
377.11261	0.9
382.15805	0.5
384.12906	0.7
384.17084	1.1
386.14899	1.4
388.16635	2.5
396.13434	2.3
398.14886	0.9
400.16785	0.7
401.17322	0.8
410.15073	0.6
412.15588	0.5
414.14517	0.9
418.17834	0.5
420.19131	1.3
430.17920	0.4
432.15375	0.7
433.12411	0.7
435.17947	0.9
441.23285	0.5
446.17807	0.8
447.14343	1.2
448.14685	0.8
453.18900	0.5
457.16138	0.5
460.15280	0.8
461.16138	1.3
463.16559	1.9
473.19379	0.5
474.17731	0.6
475.17648	1.7
476.18546	1.3
477.19278	1.8
478.19855	1.6
479.21274	1.8
487.21149	1.2
488.19537	0.7
489.18839	0.7
490.20352	0.9
491.21515	3.3
492.21393	1.4
501.18582	0.7
502.19235	0.5
503.16751	0.8
505.23135	3.0
506.18979	2.1
507.20050	0.7
515.20612	1.7
517.18842	1.1
518.19360	1.5
519.19653	2.4
520.21039	0.8
533.21954	3.4
543.20276	0.9
547.23474	1.3
549.24866	0.9
552.24164	0.6
555.25909	1.3
561.20929	1.5
565.24719	2.4
575.22894	2.6
583.25580	12.1
593.23962	100.0
594.24231	5.2
607.25818	0.7
611.24512	1.2
625.26428	2.7
642.41779	0.5
643.27850	16.3
643.40424	2.1
644.27625	0.7
654.26581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
70.07594	0.9
70.07932	1.8
71.52688	0.7
74.14011	0.8
75.30653	0.7
79.05489	0.9
91.05505	0.9
93.07040	0.9
95.05000	0.9
136.32428	0.8
144.04420	1.0
146.09749	1.0
174.09146	2.5
185.07018	1.1
203.59552	0.8
215.11868	0.8
225.10258	1.2
227.11801	2.1
235.08757	0.9
239.11717	1.0
243.11269	7.7
245.42029	0.8
249.10201	0.9
277.09711	3.4
314.09436	0.7
314.13309	1.0
316.10651	1.1
319.10773	3.3
326.12915	0.9
330.12216	1.1
332.13885	1.1
333.17453	1.0
340.10706	1.0
341.11557	0.8
342.12164	0.9
343.13071	1.1
349.16730	0.8
350.15121	0.9
351.13394	2.3
354.12167	1.0
356.13995	1.9
367.17722	0.9
368.14020	2.0
370.15561	2.8
371.12192	0.9
371.16486	1.4
372.13409	1.0
377.11282	1.0
384.17407	1.5
386.15082	2.3
387.15607	1.0
388.16611	3.1
396.13501	2.2
398.14905	1.1
412.16797	0.9
415.15091	1.1
420.19559	1.6
429.16919	0.8
445.17358	0.9
448.19778	0.9
449.20013	1.0
461.15558	1.1
463.16769	1.6
467.65024	0.8
475.17563	1.6
476.18478	1.9
477.18680	1.4
478.19995	1.5
479.20834	1.8
487.21533	1.6
490.20648	2.0
491.20602	3.0
492.21878	1.2
505.22385	2.6
506.19363	1.2
507.20560	1.2
515.20953	1.7
518.19482	1.6
519.20093	2.5
520.20923	1.8
533.21948	2.9
543.19794	1.2
549.24506	1.0
555.26154	1.2
561.21100	1.5
565.24329	2.5
575.22986	2.7
583.16772	1.2
583.25464	13.3
593.23871	100.0
594.24060	6.1
625.26459	3.1
643.27667	19.0
643.40466	2.4
644.27856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40406	0.4
53.13598	0.3
55.05506	0.4
61.43898	0.4
67.05518	0.9
67.47088	0.3
69.06352	0.4
69.07066	0.5
74.71693	0.4
76.98037	0.4
79.05482	0.9
81.07063	0.8
83.08630	0.5
87.87708	0.4
91.05473	0.7
93.07050	1.1
95.08636	0.5
105.07048	0.7
107.07895	0.4
107.08601	0.7
119.08569	0.5
133.10190	0.4
163.64410	0.4
222.07341	0.4
268.33948	0.4
278.84656	0.4
286.99026	2.4
315.19342	1.1
333.20151	0.5
344.02606	0.4
351.21576	2.7
463.21994	1.5
578.65326	0.5
625.40839	1.1
643.41730	100.0
644.42188	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47533	0.4
50.79137	0.4
59.12389	0.3
67.05502	1.1
69.07069	0.5
79.05511	0.8
81.07060	1.4
91.05497	0.7
93.07047	0.8
95.04956	0.5
95.08604	0.4
98.22979	0.5
107.08585	0.4
117.07014	0.6
118.35671	0.4
119.08528	0.5
133.08591	0.4
154.35393	0.5
179.14366	0.4
200.11494	0.5
242.87511	0.4
249.11069	0.8
277.21701	0.8
296.23010	0.4
298.68616	0.4
331.19177	0.6
333.20233	4.2
334.20865	0.6
335.21893	7.2
335.25925	0.5
349.20126	0.7
353.23007	1.4
423.69586	0.4
545.34808	0.6
625.39984	2.2
643.41699	100.0
644.25488	0.9
644.42065	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66204	1.0
53.30743	0.9
54.46124	0.8
55.05496	1.1
62.68681	1.0
67.05489	1.1
68.23795	0.8
71.36599	0.9
77.00916	5.8
79.05502	7.8
81.07053	2.6
81.57177	0.9
91.05505	1.8
95.01934	2.0
100.01809	0.9
105.06992	1.2
107.08604	3.0
119.41564	0.9
157.07135	1.0
169.07100	1.0
173.06645	1.2
175.62230	1.3
183.08736	1.1
191.11285	1.6
198.40251	1.1
201.09737	3.1
207.04993	1.4
209.06743	1.3
212.96420	1.2
213.04710	1.0
219.10765	1.8
219.14461	1.2
220.20770	1.1
223.11697	2.7
227.11319	10.6
239.11220	3.4
241.12897	1.3
245.12346	12.9
247.08144	1.3
253.12689	1.4
257.12375	2.4
261.13422	2.3
263.15128	1.0
275.15140	1.2
308.82999	1.2
315.18030	16.4
316.18152	1.3
333.19772	100.0
334.19495	4.9
351.20151	35.2
352.20413	2.1
356.20682	5.8
374.21613	5.8
643.23822	3.7
643.41937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
54.65552	1.3
55.01877	6.6
56.79795	1.1
57.03426	5.3
58.81051	1.2
61.02918	5.0
67.05493	1.8
68.99796	3.9
69.03067	1.7
69.03435	22.5
69.33878	4.5
70.06581	4.2
70.35232	1.0
70.76424	1.1
71.04986	3.0
73.02921	3.5
76.50039	1.1
78.05869	1.1
79.05482	4.2
81.03426	26.0
81.07055	1.9
85.02910	47.8
86.09711	2.9
87.00832	20.7
91.03959	2.4
91.05482	15.3
93.07013	2.7
95.04975	10.3
97.02897	20.5
99.04465	7.4
103.03936	5.0
103.05473	10.8
105.01885	11.0
105.07043	18.1
107.04951	20.5
107.08642	1.9
108.39808	1.2
109.02885	20.1
109.06526	2.5
111.04435	2.6
111.08075	1.4
115.03914	2.9
115.05463	4.1
116.22478	1.2
117.01847	1.9
117.06986	2.2
119.04947	13.3
119.08602	2.5
121.02845	3.0
121.06523	5.6
121.10065	1.3
122.03637	3.9
127.03928	24.6
128.06195	2.1
129.01848	2.2
129.06990	6.6
130.04074	1.3
131.04932	23.7
131.08537	2.3
133.02831	5.6
133.06494	21.0
134.06799	1.4
135.08040	5.3
137.05984	100.0
138.06288	1.9
141.07021	1.4
143.04968	2.9
145.04964	8.3
145.06497	2.3
146.03625	2.0
147.02875	2.8
147.04399	8.3
148.05193	2.2
149.05989	15.9
151.03920	6.9
151.06348	2.1
151.07559	31.1
152.04146	1.2
155.25737	1.4
157.06476	3.8
159.02910	5.3
159.04399	7.6
160.05147	2.5
161.05984	63.3
161.09610	12.6
162.06761	6.9
163.07552	53.2
165.05515	1.9
165.09126	12.9
167.07114	2.6
167.08522	1.6
169.06502	5.7
171.02951	2.1
171.04420	2.3
173.06001	3.6
174.06734	3.4
175.07579	12.3
176.04697	3.1
177.05458	6.4
177.09117	6.8
179.07043	6.6
179.10635	3.1
181.08626	10.7
183.10193	2.3
187.07570	6.6
189.03949	8.9
189.05516	2.6
189.09114	37.2
190.06262	2.4
191.07034	42.5
193.12291	6.6
194.07269	1.2
195.08080	3.4
197.05972	4.1
199.07527	3.6
201.09117	3.8
203.07033	28.3
205.08594	4.4
207.10173	76.8
208.10449	2.0
211.13367	2.9
215.07068	6.1
217.08607	3.3
219.10188	5.6
221.09734	1.4
223.07588	2.9
224.08353	1.8
225.05365	1.7
225.09102	2.7
227.06970	1.7
227.10667	5.4
229.08580	10.5
231.05045	4.9
233.08119	17.2
247.09711	4.2
249.11375	7.0
253.08620	2.8
253.12270	3.8
255.10107	5.7
257.08096	9.6
267.15955	4.0
269.08221	2.7
273.11301	12.5
275.09164	5.2
275.12625	1.8
285.11234	5.1
285.17020	14.9
287.12769	13.6
291.12363	8.0
293.10141	3.7
297.11148	5.3
299.12668	2.6
311.12784	5.7
313.14420	11.8
315.12317	2.7
316.30640	1.6
321.10999	1.2
325.14240	3.1
331.15414	60.8
332.15561	1.9
343.15408	10.8
355.15674	2.7
361.09116	2.8
379.10315	15.1
397.16266	2.1
421.16479	3.8
439.17426	3.5
451.17496	3.1
469.19223	1.7
543.18500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01862	1.3
55.05519	4.2
57.03434	4.6
61.02632	1.1
61.02923	12.8
65.03941	1.3
67.05514	8.0
69.03419	4.9
69.07064	3.1
70.06588	2.0
71.04977	1.1
71.46320	0.8
72.08144	1.5
73.02923	4.3
74.18975	1.0
79.05478	9.1
81.03415	78.4
81.07054	7.9
82.03767	1.2
83.04966	3.5
83.08617	17.7
85.02901	17.9
85.06513	1.0
86.09695	1.2
91.03950	12.4
91.05478	10.8
92.05798	1.0
93.07021	5.5
95.04346	1.2
95.04963	25.3
95.08601	2.9
95.99464	0.8
97.02893	12.5
97.06579	0.8
97.10176	1.1
99.04418	1.1
102.06962	0.9
103.05467	1.0
105.07027	10.1
107.04953	5.7
107.08608	3.4
109.02857	2.5
109.06538	2.0
109.10179	1.4
111.04437	2.1
111.08079	9.8
115.03881	1.2
115.05489	1.2
117.07011	1.2
119.04927	2.0
119.08570	8.1
121.06480	1.8
121.10148	5.1
123.04440	4.5
123.08093	1.0
125.09596	1.3
127.03905	5.4
129.06993	6.7
131.04918	1.5
131.08569	7.1
133.06464	2.2
133.10106	5.0
135.08025	1.4
135.11687	1.8
137.05971	2.8
137.09589	2.1
142.07777	2.4
145.04976	7.4
145.06026	1.1
145.06410	0.9
145.10135	2.3
147.04373	5.4
147.08139	2.0
147.11668	5.3
149.09618	3.9
157.10124	9.6
161.06039	1.8
161.09639	1.0
163.06012	12.6
163.11168	2.7
165.05634	0.9
165.12781	1.8
167.07050	2.4
173.09657	1.1
175.11166	12.3
181.05064	1.0
181.83269	1.2
189.05438	1.6
189.12788	1.3
193.12238	60.3
194.12691	1.3
211.13271	7.8
221.62192	0.9
235.13222	5.6
249.11252	2.4
249.14742	1.3
259.13284	2.9
267.15897	34.8
273.14902	1.8
283.15396	1.6
284.15677	1.3
285.16956	100.0
286.17322	3.1
301.14362	3.2
309.16940	24.5
327.18042	3.4
351.17987	5.1
363.17847	4.5
375.17917	4.2
391.92816	1.0
393.18958	3.9
411.20251	4.4
419.56879	0.9
429.21066	1.6
442.73145	0.9
535.71448	0.9
644.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.65745	0.8
55.01867	2.8
55.05520	4.1
57.03439	4.7
61.02929	9.5
65.03962	0.6
67.05501	7.0
69.03424	7.1
69.07059	2.3
69.53506	1.8
70.06575	1.0
71.04993	2.3
73.02920	4.7
79.05495	8.3
81.03417	36.3
81.07065	8.9
82.03757	0.6
83.04983	7.0
83.08618	12.6
85.02907	27.5
85.06549	0.6
86.09740	0.8
87.00819	4.4
91.03970	7.8
91.05487	11.1
93.07048	6.6
95.04966	14.6
95.08600	4.2
96.05332	0.8
97.02896	10.3
97.06530	1.9
97.10176	1.6
99.04461	3.4
102.86100	0.7
103.03964	1.6
103.05452	2.4
105.01855	2.6
105.07026	10.5
107.04942	4.7
107.08596	3.5
109.02882	4.2
109.06509	2.4
109.10177	0.7
111.04444	1.7
111.08088	7.0
113.05995	1.0
115.03925	2.6
115.05453	1.3
119.04965	2.1
119.08582	6.4
121.02844	2.3
121.06523	2.0
121.10113	3.7
123.08131	0.8
123.11703	1.1
123.57351	0.6
127.03924	8.0
129.06982	4.8
131.04909	3.8
131.08545	5.4
133.02867	0.7
133.04918	0.7
133.06505	5.0
133.10120	3.8
135.08090	1.0
135.11688	0.9
137.05981	19.9
139.40045	0.6
142.07771	1.7
145.04982	4.8
145.06026	0.7
145.06421	0.6
146.07191	0.6
147.04419	1.1
147.08055	1.8
147.11696	8.2
149.05971	3.7
149.09602	2.2
151.07536	3.8
157.10146	7.1
159.02910	1.0
159.04312	1.2
160.05299	0.8
161.05992	9.1
161.09630	2.0
162.06731	0.6
163.06030	5.2
163.07562	7.8
165.09096	1.5
165.12782	1.8
169.06491	1.0
171.13786	1.9
173.05946	0.6
175.07564	2.6
175.11160	8.7
177.05502	1.4
177.09064	0.6
179.07042	1.1
181.08577	1.9
183.10152	0.9
187.07516	1.7
189.03889	1.7
189.09087	6.2
191.07014	9.9
193.12250	36.6
194.12631	0.7
195.08139	0.6
199.93152	0.6
203.06998	5.7
205.08621	1.3
207.10158	11.4
211.13290	24.6
212.13626	1.0
215.06990	1.9
219.10095	1.3
229.08611	2.4
229.14378	1.2
233.08090	2.9
249.11238	0.8
253.12239	0.9
255.09930	0.6
257.08029	1.6
267.15915	17.2
268.16208	1.1
273.11249	2.2
275.09045	1.0
285.16965	100.0
286.17270	3.2
287.12897	1.1
291.12323	1.5
297.11203	1.1
303.17993	1.2
311.12848	0.7
313.14429	1.6
315.12201	0.8
331.15372	9.2
343.15323	1.5
379.10199	3.3
395.13605	0.8
421.16470	0.8
429.21170	1.3
456.95584	0.7
526.04901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01866	1.5
55.05507	8.5
57.03430	11.2
57.07082	1.7
61.02917	1.3
67.05494	6.5
69.03422	9.0
69.07063	5.1
69.31958	4.8
69.94273	1.0
71.01340	1.8
71.04987	61.2
73.02910	4.0
75.04475	7.1
79.05492	8.4
81.03427	2.4
81.07051	7.1
83.04971	15.0
83.05433	1.1
83.08624	4.1
83.94424	0.8
85.02898	100.0
86.06080	0.9
87.04478	3.4
91.05469	8.9
93.07041	16.2
95.04954	9.5
95.08601	13.1
96.38379	0.9
97.02888	8.4
97.06534	2.6
97.10159	2.3
99.04455	3.2
100.07610	1.7
103.03932	1.2
105.07032	9.6
107.04842	1.0
107.08590	17.5
109.02859	2.5
109.06516	1.8
109.10132	8.9
111.04438	16.5
111.08106	1.3
113.06020	1.5
117.05487	1.2
117.07016	3.4
119.08581	17.3
121.06509	1.0
121.10141	9.6
123.04459	1.5
123.08074	1.4
123.11699	4.3
125.05974	3.6
125.09576	1.2
127.03914	6.3
129.05476	38.8
129.06963	1.8
131.04886	0.9
131.08545	5.5
133.10127	9.9
135.04449	1.1
135.08041	1.4
135.11682	19.7
135.12653	1.5
137.05919	1.1
137.13277	2.9
139.07527	6.8
143.08553	2.8
145.04953	3.9
145.10114	5.2
146.08113	1.8
147.06517	22.9
147.07903	1.3
147.08115	1.2
147.11691	4.0
149.06004	1.0
149.13271	4.6
151.07486	1.3
153.09088	5.6
157.10101	4.2
159.11659	4.5
161.09549	1.2
161.13307	1.2
163.14827	0.9
164.09100	5.3
165.09167	2.1
167.10690	1.1
169.10057	2.2
171.11714	3.8
173.09702	1.1
175.11122	1.4
177.09132	1.7
179.10703	2.1
181.12173	1.3
183.11742	2.7
185.13199	2.6
187.11162	1.7
189.09073	1.5
191.09244	0.9
191.10611	4.8
193.12257	2.6
195.11629	1.1
197.13272	2.0
198.37767	0.9
199.11157	0.9
201.12643	1.6
203.10658	3.6
205.12216	7.6
215.10670	1.6
217.12245	7.5
219.13737	4.1
223.14912	1.2
229.12193	5.2
231.13829	4.4
233.15384	1.6
241.12297	1.1
243.13779	1.7
245.15279	5.4
253.12418	1.0
255.08688	3.0
255.13847	2.2
257.15372	2.8
259.16977	1.6
262.23746	1.8
269.15393	2.0
273.09613	2.8
281.15387	1.1
283.16678	1.0
297.18359	2.2
299.20007	15.7
300.20212	1.6
301.21600	80.3
302.21820	5.5
309.11810	3.4
311.20102	2.9
313.21539	4.4
317.21158	1.8
325.21689	3.0
337.21631	3.4
343.22485	4.2
348.05869	2.2
355.22626	4.9
366.06778	1.7
367.22726	5.5
375.23468	1.1
377.13678	1.5
378.06906	0.9
381.09860	2.8
385.23734	1.4
393.24210	5.5
396.07941	3.2
397.20062	1.4
411.25406	6.9
415.21112	2.0
429.26404	6.2
441.50647	1.0
447.27286	3.9
465.15524	4.0
522.21912	1.1
644.23114	2.6
644.33130	1.5
644.47150	0.9
645.28784	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1813
Annotation	Majidine
Peak:m/z	Relative Intensity
53.16574	0.1
55.01862	0.4
55.05530	0.2
57.03432	8.2
57.05808	0.4
58.06581	0.4
59.05003	0.5
60.08150	0.4
61.02925	1.9
62.88311	0.2
65.60056	0.2
67.05493	0.3
69.03426	15.6
69.87492	0.6
70.03753	0.2
70.06603	0.2
71.01344	0.7
71.04991	0.3
72.04519	0.3
72.08153	0.3
73.02912	10.0
75.04478	0.4
79.05480	0.4
81.03411	0.8
81.07051	0.3
83.01331	0.5
83.04974	0.6
83.32639	0.2
84.55517	0.2
85.02898	8.6
85.05278	2.7
87.04462	5.7
87.05008	0.2
91.05492	0.3
93.07021	0.2
95.04951	0.3
95.08600	0.3
97.02888	13.8
98.03245	0.2
99.04449	0.7
100.07611	35.9
103.03956	0.9
103.05432	0.2
105.07040	0.2
107.04943	0.3
108.01846	0.2
109.02876	0.4
109.06468	0.3
111.04438	1.6
113.02367	0.3
115.03925	9.6
117.05481	0.4
117.10220	0.3
119.04990	0.2
119.08598	0.2
120.08084	1.0
123.04430	0.5
127.03904	0.9
133.04958	5.7
135.04395	0.3
137.02325	0.2
137.05992	0.3
139.03867	1.3
140.10864	0.2
145.04916	0.3
149.02271	0.2
149.04500	0.3
151.03905	0.4
153.05489	0.3
157.04918	1.7
163.03882	0.3
165.05461	0.4
165.07129	0.1
167.06973	0.2
175.06035	0.3
178.07701	0.2
189.06985	0.5
193.04948	0.3
205.06538	0.7
206.05618	0.2
206.07240	1.2
207.08022	0.4
208.08795	0.2
211.05988	1.6
217.06453	0.3
218.07216	0.5
219.08032	0.6
220.08704	0.2
221.05873	0.3
223.07581	0.2
229.07109	1.2
232.05186	0.3
233.05968	1.4
234.06709	3.8
235.07506	1.5
236.08287	0.6
243.11226	0.3
244.05043	0.4
246.06735	0.5
247.07793	1.7
248.08325	1.1
249.05482	0.5
249.09026	2.5
250.06441	0.2
250.09703	0.2
251.07025	0.5
251.10606	0.8
253.08534	0.2
261.05371	0.6
262.06229	2.4
263.06976	2.4
264.07806	1.2
265.08499	0.8
267.10291	0.4
274.06174	0.5
275.07040	0.6
276.07751	1.1
277.05487	0.5
277.08566	11.1
278.06070	0.4
278.09308	1.4
279.06973	0.3
279.10098	2.6
280.07434	0.2
289.04898	0.6
290.05621	1.0
291.06445	2.9
292.07288	1.0
293.08066	0.5
294.08823	1.1
295.09512	0.8
302.05652	0.3
304.07269	0.4
305.08054	12.9
306.05176	0.4
306.08539	1.0
307.06290	0.2
307.09610	2.9
308.06830	0.2
309.11087	1.9
319.05957	3.4
319.09399	0.3
320.06680	0.8
321.07574	0.6
323.09125	2.3
325.10660	0.5
331.06006	0.3
332.06839	0.3
333.07547	14.7
334.07971	0.7
335.05353	0.4
335.09128	3.8
336.05994	0.3
337.07217	0.2
337.10657	6.3
338.11224	0.2
348.06369	0.3
349.06985	0.5
351.08600	9.4
352.09094	0.4
363.08594	12.8
364.08807	0.4
381.09644	100.0
382.09967	3.7
429.85907	0.2
495.12610	0.7
496.54361	0.2
511.29459	0.2
513.13434	0.3
539.28552	1.4
645.33655	2.1
666.64691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03435	6.7
59.04993	0.4
61.02930	1.4
67.05502	0.2
69.03427	15.1
70.73373	0.2
70.73739	0.2
71.01352	0.8
72.20431	0.2
73.02913	8.3
76.87821	0.2
81.03409	1.1
81.07018	0.2
83.01348	0.5
83.04982	0.7
85.02903	6.6
87.04462	4.2
87.04992	0.2
91.03945	0.3
95.04988	0.3
97.02890	11.7
99.04451	1.0
100.07614	0.7
101.33208	0.2
103.03941	0.8
109.02866	0.4
111.04430	1.0
113.02380	0.3
115.03930	8.7
117.05499	0.7
122.61568	0.2
123.04413	0.3
127.03908	0.8
133.04964	4.4
139.03923	0.8
143.03343	0.2
145.04956	0.4
149.02335	0.3
149.04413	0.4
151.03893	0.4
152.77820	0.2
157.04950	1.8
161.04494	0.2
163.03969	0.4
169.04955	0.4
174.45493	0.2
175.06116	0.2
178.07620	0.3
187.05997	0.4
189.07097	0.3
193.04913	0.3
205.06482	0.8
205.98560	0.2
206.07249	1.0
207.07924	0.2
208.08740	0.4
211.06070	1.4
217.06503	0.3
218.07368	0.4
219.08035	0.7
220.08908	0.4
221.05997	0.2
229.07069	1.2
232.05264	0.3
233.05927	1.5
234.06749	3.6
234.09029	0.3
235.07538	1.2
236.08328	0.4
244.05161	0.4
246.06735	0.6
247.07767	1.5
248.08345	1.3
249.05522	0.4
249.09058	2.3
251.07080	0.4
251.10596	0.6
252.07826	0.2
261.05487	0.7
262.06253	1.9
263.06998	2.1
264.07861	1.1
265.08679	0.6
267.10229	0.4
274.06165	0.7
275.07013	0.5
276.07806	1.1
277.05460	0.5
277.08566	10.3
278.06247	0.3
278.09314	1.0
279.07016	0.4
279.10098	2.4
289.04889	0.3
290.05731	0.8
291.06473	2.8
292.07336	1.1
293.04684	0.3
293.08044	0.5
294.08936	0.6
295.09634	0.6
303.06177	0.2
304.07224	0.5
305.08063	11.6
306.08664	0.7
307.06326	0.3
307.09686	2.5
309.11127	1.9
319.06036	3.3
320.06781	0.9
321.07419	0.4
322.08594	0.2
323.09137	1.9
332.06778	0.4
333.07547	15.7
334.07986	0.6
335.09088	3.5
336.09723	0.3
337.10666	5.5
348.06314	0.3
349.07071	0.4
351.08594	7.8
352.09229	0.4
363.08609	10.8
364.08911	0.3
381.09653	100.0
382.09961	4.9
423.09399	0.2
495.12628	0.4
515.48090	0.2
650.67938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1817
Annotation	Majidine
Peak:m/z	Relative Intensity
52.82721	0.1
53.03946	0.2
55.01878	0.3
55.05494	0.1
57.03440	4.9
59.05004	0.4
61.02935	1.3
64.55801	0.1
67.01856	0.1
67.05491	0.2
67.21430	0.1
69.03432	17.7
71.01357	0.8
71.04995	0.3
73.02919	5.9
75.04509	0.3
79.05502	0.2
81.03423	1.4
83.01332	0.2
83.04984	0.5
85.02911	6.9
85.46764	0.1
87.04469	3.2
91.03960	0.4
95.04969	0.4
97.02895	11.1
99.04462	1.6
100.07635	0.3
101.02379	0.1
103.03930	1.3
107.04984	0.2
109.02872	0.2
111.04471	0.7
113.02381	0.6
115.03932	6.2
117.05479	1.0
120.03768	0.1
123.04462	0.2
125.06034	0.1
127.03911	1.2
132.60789	0.1
133.03947	0.2
133.04973	2.8
135.04411	0.3
137.05986	0.2
139.03908	0.7
143.03445	0.1
145.04932	0.3
149.02385	0.1
149.04471	0.6
151.03894	0.2
153.05486	0.3
157.04959	2.1
161.04494	0.1
163.03931	0.4
165.05533	0.5
165.07033	0.1
175.06003	0.3
176.06419	0.1
178.07831	0.4
181.05020	0.2
187.06055	0.2
188.06178	0.1
189.07034	0.4
190.07808	0.1
191.08528	0.2
193.04897	0.3
203.06956	0.2
204.05722	0.2
205.06403	0.9
206.07248	1.5
207.08002	0.3
208.08844	0.2
211.05980	0.9
216.05711	0.5
217.06641	0.3
218.07242	0.5
219.07988	0.8
220.05339	0.1
220.08890	0.1
221.05992	0.4
221.09523	0.1
222.06648	0.2
229.07076	1.4
230.07179	0.1
232.05159	0.3
233.05957	1.9
234.06764	4.2
235.07533	1.7
236.08366	0.5
237.05457	0.2
239.10724	0.1
244.05255	0.3
245.05820	0.2
246.06808	0.4
247.07843	2.0
248.04776	0.2
248.08310	1.3
249.05577	0.4
249.09114	2.7
250.06305	0.2
250.09647	0.2
251.07114	0.5
251.10680	1.1
252.07671	0.1
253.08617	0.2
260.04813	0.2
261.05518	0.6
262.06244	2.7
263.07025	2.4
264.07831	1.2
265.08658	0.8
266.09521	0.4
267.10211	0.4
274.06226	0.6
275.07068	0.6
276.07733	1.1
277.05432	0.4
277.08588	10.7
278.06061	0.3
278.09232	1.4
279.06540	0.5
279.10165	2.5
280.07245	0.4
289.04935	0.5
290.05753	0.9
291.06519	3.1
291.09775	0.2
292.07285	1.2
293.08148	0.6
294.08932	0.8
295.09637	0.7
302.05719	0.2
304.07291	0.5
305.08075	12.8
306.05435	0.2
306.08621	0.9
307.06055	0.3
307.09595	2.9
308.06586	0.1
309.11215	2.2
310.11554	0.1
317.04459	0.2
319.06006	3.4
320.06680	0.6
321.07605	0.5
322.08362	0.3
323.09177	2.0
325.10855	0.5
331.06094	0.2
332.06882	0.3
333.07574	16.2
334.07837	0.7
335.05914	0.1
335.09137	3.8
336.06253	0.2
336.09866	0.2
337.10699	6.4
338.11090	0.2
348.06042	0.1
349.07001	0.4
351.08633	8.8
352.09036	0.3
353.10339	0.2
363.08633	11.1
364.08868	0.6
374.09940	0.2
380.09113	0.1
381.09677	100.0
382.10013	4.0
436.65118	0.1
487.10104	0.1
622.70947	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01866	0.3
57.03435	9.2
59.04997	0.6
61.01455	0.2
61.02926	2.0
68.37293	0.2
69.03427	15.5
69.46217	0.7
70.03746	0.4
71.01341	0.9
73.02917	13.8
79.05473	0.2
81.03414	0.6
81.91079	0.2
83.01342	0.6
83.04972	0.5
85.02905	8.1
87.04464	7.7
91.03959	0.3
95.04962	0.4
97.02888	15.4
98.03220	0.2
99.04449	0.4
103.03925	0.3
109.02863	0.3
111.04443	2.2
115.03927	11.9
117.05508	0.3
123.04417	0.4
127.03901	0.4
128.99409	0.2
132.59186	0.2
133.03931	0.4
133.04961	8.1
137.06010	0.3
139.03889	2.0
145.04979	0.2
147.04404	0.2
149.02309	0.2
149.04417	0.3
151.03914	0.5
153.05472	0.4
157.04956	1.3
163.03882	0.2
165.05435	0.9
181.04962	0.4
189.07118	0.3
193.04962	0.6
205.06503	0.6
206.07207	1.1
207.08154	0.2
211.05951	1.7
216.05844	0.3
218.07283	0.3
219.08026	0.5
221.05945	0.2
221.09570	0.2
222.06705	0.3
224.08263	0.2
229.07169	1.2
233.05881	1.2
234.06738	3.0
235.07487	1.2
236.08345	0.4
244.05351	0.3
246.06680	0.4
247.07758	1.3
248.08359	1.1
249.05515	0.3
249.09119	2.0
251.07237	0.3
251.10654	0.5
261.05539	0.3
262.06180	1.9
263.07025	2.1
264.07681	1.2
265.08667	0.6
267.10059	0.5
274.06293	0.5
275.07071	0.5
276.07797	1.1
277.08582	9.0
278.09265	1.3
279.06955	0.3
279.10138	2.4
280.07269	0.4
289.05035	0.3
290.05685	0.6
291.06470	3.0
292.07306	0.7
293.07938	0.6
294.08792	0.9
295.09583	0.6
304.07242	0.5
305.08057	11.1
306.05368	0.2
306.08401	0.9
307.06323	0.4
307.09637	2.7
309.11182	2.0
315.45563	0.2
319.06018	2.9
320.06470	0.6
321.07483	0.5
323.09134	2.1
325.10779	0.4
331.06012	0.2
333.07547	16.8
334.07925	0.8
335.05347	0.3
335.09131	3.3
337.10666	6.4
348.06216	0.2
349.07098	0.4
351.08591	8.4
352.08929	0.4
363.08591	13.3
364.09116	0.9
374.10370	0.2
381.09656	100.0
382.10013	5.1
459.10672	0.3
495.12585	1.1
503.49796	0.2
513.13794	0.5
620.12531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58642	0.1
56.05016	0.1
57.05814	1.3
58.06600	1.3
59.07370	0.3
60.08160	1.1
69.31558	0.3
70.06577	0.1
72.04510	0.8
72.08151	0.6
74.26286	0.1
83.48926	0.1
84.04494	0.2
84.08156	0.1
85.05282	8.5
88.62226	0.1
91.05476	0.3
93.07069	0.1
98.23398	0.2
100.07613	100.0
101.07317	0.1
101.07927	0.9
103.05457	0.4
105.03374	0.1
105.07044	0.1
105.64483	0.1
117.10250	1.2
119.04975	0.2
120.08100	2.5
123.04475	0.1
130.06541	0.1
131.04976	0.1
132.08072	0.1
134.09625	0.1
136.07462	0.1
146.06012	0.1
147.04398	0.1
160.07571	0.1
173.09691	0.1
176.55969	0.1
177.09053	0.1
183.15070	0.1
189.09148	0.2
190.12129	0.1
202.12326	0.3
217.09793	0.1
223.50505	0.1
231.10178	0.2
248.12885	0.2
264.92776	0.1
395.19919	0.1
439.18503	0.1
480.21182	0.2
511.29129	0.9
524.25787	0.1
539.28638	3.5
540.29163	0.2
551.92303	0.1
568.24268	0.1
586.25037	0.1
645.32819	5.4
646.33130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.49472	0.4
55.01863	0.6
55.05478	0.5
56.07320	0.5
57.80312	0.5
58.06606	5.3
59.07381	2.4
60.08160	35.1
65.03925	0.8
67.05486	0.8
69.03429	0.6
69.82934	1.0
70.06562	1.2
77.03942	0.6
79.05471	0.7
81.07042	0.5
84.08138	7.5
85.02925	0.5
86.09698	0.5
87.96809	0.5
91.04939	0.8
91.05472	10.3
93.07039	2.6
94.06594	0.5
95.04959	2.1
96.08111	0.5
97.02898	0.8
100.07613	0.5
103.05466	16.5
105.04479	0.5
105.07014	0.9
107.04951	2.0
109.02892	0.9
110.06048	0.6
110.26166	0.5
117.06976	0.7
118.06540	1.0
119.04940	8.5
119.07297	2.3
120.08099	100.0
121.06447	0.8
121.08475	1.4
122.06026	0.7
123.04441	1.0
124.07611	0.6
125.08372	2.0
129.22375	0.5
130.06538	2.0
131.04922	1.8
132.08105	2.1
133.06438	0.6
136.07547	2.7
144.08125	0.7
145.06503	0.6
146.06018	3.4
147.04398	9.5
157.10075	0.6
158.06036	0.9
159.04411	1.1
160.04698	0.7
160.07564	3.7
161.09648	1.0
164.07068	1.3
164.10773	1.3
165.05486	1.1
166.08705	0.5
169.04973	0.5
173.09624	1.2
174.12764	0.6
175.08755	0.5
177.05489	0.6
177.09096	3.9
182.08083	0.7
185.09698	1.5
187.11244	0.6
188.07079	0.6
189.05479	0.7
189.09067	6.9
190.12286	3.7
200.10770	2.8
202.12262	11.3
206.08139	0.7
206.11813	1.5
212.10760	0.8
213.09076	1.1
214.12297	2.5
219.10175	2.8
223.14445	1.3
228.10245	0.7
229.13460	0.6
230.11787	4.6
231.10170	8.4
236.12888	1.0
242.11713	0.6
248.12839	6.8
258.11282	2.6
260.12820	0.6
265.15375	0.6
266.11713	0.5
270.53192	0.5
274.10916	0.7
329.14969	1.3
349.19244	0.5
365.18723	1.3
395.19794	1.9
405.18387	0.9
411.19229	0.7
421.56302	0.5
439.18622	1.5
512.26007	0.6
586.25427	12.7
617.33258	9.9
618.33875	0.9
627.24579	1.7
645.32794	98.5
646.22736	0.9
646.32935	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.4
63.60901	0.4
71.22972	0.5
81.07076	0.4
105.07014	0.4
136.86766	0.4
178.85951	0.4
184.33173	0.4
199.06444	0.6
203.05966	0.4
207.93008	0.4
210.69046	0.4
217.07478	0.8
235.18842	0.4
237.04384	0.7
280.09879	0.7
281.06638	0.4
307.16037	0.4
331.15717	3.5
335.16034	0.5
337.17386	3.7
341.94504	0.4
349.16864	11.9
350.17337	0.5
353.14471	41.6
354.15094	0.9
357.10162	0.4
371.15118	1.0
372.18454	0.8
425.15994	6.5
439.17856	1.6
453.19250	0.8
466.33868	0.4
467.20917	1.2
481.22379	7.9
482.23203	0.4
495.23969	1.6
563.26190	0.5
567.18976	1.2
599.22174	0.5
613.19257	0.6
627.20630	2.0
645.34326	100.0
646.34583	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10019	0.2
53.03586	0.2
53.03912	0.3
55.01843	0.4
57.03413	0.4
69.03384	0.8
69.69819	0.4
69.70199	0.5
73.02891	0.3
79.01852	0.2
79.29412	0.2
81.03378	0.5
85.02901	1.3
85.05280	0.4
87.00779	0.3
97.02837	0.7
99.04407	0.3
100.07611	3.8
101.07895	0.5
101.98238	0.2
105.01823	0.2
107.01254	0.6
109.02825	0.6
115.03862	0.3
119.08524	0.2
127.03924	0.3
129.78212	0.2
131.08475	0.2
137.02342	7.6
178.07677	0.3
179.08545	0.2
181.19595	0.2
185.06152	0.2
190.07822	0.2
191.08478	0.6
204.05603	0.4
205.06439	1.0
206.07121	0.4
207.07988	0.6
208.08846	0.4
218.07228	0.5
219.08012	1.0
220.08807	1.6
221.05927	0.7
221.09378	0.3
223.07375	0.2
233.05858	0.6
234.06709	0.9
235.07555	2.1
236.08264	1.9
237.05554	0.3
238.09933	0.2
239.10608	0.6
246.06770	0.7
247.07556	3.4
248.08296	3.3
249.05461	0.6
249.09131	3.8
251.06903	0.4
251.10658	1.9
252.07846	0.3
262.06213	0.7
263.07047	5.3
264.07785	6.0
265.08517	1.5
267.10248	0.5
269.07886	0.2
274.06192	0.3
275.07016	5.3
276.07782	1.5
277.05133	0.3
277.08517	1.1
278.09326	0.5
279.06717	1.3
279.10129	18.5
280.10434	0.7
281.08130	0.9
290.05847	0.3
291.06488	4.6
291.09790	0.2
292.07257	2.4
293.08075	1.3
294.08499	0.2
295.09576	1.6
303.06473	0.3
304.07263	0.5
305.08032	2.4
306.05212	0.3
306.08807	5.5
307.09613	25.1
308.10062	1.2
309.10977	0.2
319.05890	2.0
319.09610	1.9
320.06744	3.1
320.10135	0.3
321.07364	0.5
322.08301	0.6
323.09106	7.9
324.09140	0.4
333.07626	0.7
334.07846	0.4
335.09125	0.2
336.06232	0.3
337.10681	23.4
338.11151	1.1
349.07147	0.3
351.08603	2.3
352.08795	0.3
359.76096	0.2
363.08798	1.1
364.09055	0.2
371.61203	0.2
381.09659	100.0
382.09995	6.2
490.70435	0.2
547.26324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01872	1.0
55.05494	0.3
57.03176	0.2
57.03437	2.4
58.03761	0.3
61.02913	0.9
68.99768	0.4
69.03426	9.3
69.45340	0.5
70.03761	0.7
71.01342	0.5
71.04979	0.5
73.02911	2.8
74.37566	0.2
80.17561	0.2
81.03419	4.4
82.03772	0.3
83.01338	0.3
83.04953	0.2
85.02901	8.1
86.03227	0.7
87.00822	2.6
87.04469	1.2
88.04793	0.4
91.03951	0.4
97.02889	5.6
98.03228	0.9
98.22647	0.3
99.04452	1.6
100.07608	1.3
103.03909	0.3
105.01845	1.3
109.02864	3.3
113.02367	0.3
115.03932	2.0
116.04263	0.4
117.01826	0.8
117.05483	0.2
127.03913	4.3
129.01822	0.4
130.61034	0.2
133.04971	0.8
139.03867	0.3
143.65300	0.2
145.04938	1.2
145.10126	0.2
149.02365	0.3
149.04480	0.2
149.29900	0.2
151.03833	0.3
153.55305	0.2
157.04964	0.8
158.05278	0.2
159.02879	2.1
165.05489	0.4
173.05948	0.2
178.07819	0.2
189.07018	0.4
198.03407	0.2
205.06464	0.7
206.07219	1.0
207.07669	0.5
211.06003	0.3
213.99907	0.2
216.05714	0.3
217.06430	0.3
218.07201	0.4
219.08035	0.7
220.05031	0.3
220.08763	0.3
221.05930	0.2
223.07437	0.3
229.07178	0.2
231.04810	0.5
232.05290	0.3
233.05940	1.4
234.06680	4.0
235.07376	2.0
236.08156	0.7
244.05293	0.3
245.05724	0.2
246.06807	0.6
247.07538	1.3
248.08247	1.7
249.05365	0.5
249.09088	2.2
250.06180	0.3
250.09526	0.8
251.06982	0.6
251.10672	0.9
252.07462	0.2
252.11218	0.2
253.08667	0.2
261.05322	0.6
262.06146	2.5
263.06927	2.8
264.07645	1.5
265.08456	0.7
266.09125	0.5
267.10022	0.4
274.06247	0.7
275.06927	0.6
276.07806	1.4
277.08569	12.5
278.08984	3.4
279.06760	0.5
279.10065	3.1
280.07361	0.3
280.10507	0.7
281.07797	0.3
289.04987	0.6
290.05615	1.1
291.06476	3.4
291.09543	0.4
292.07062	1.4
293.07935	0.8
294.09021	1.0
294.11777	0.2
295.09528	1.0
296.09888	0.2
302.05777	0.3
304.07053	0.6
305.08044	13.8
306.08466	4.0
307.06161	0.3
307.09503	3.1
308.09961	0.7
309.11160	1.6
310.11517	0.4
319.05975	3.6
319.09451	0.4
320.06491	1.4
321.07443	0.7
322.08099	0.3
323.09100	2.9
324.09500	0.8
325.10785	0.4
331.06036	0.3
332.06845	0.4
333.07556	16.0
334.07904	4.2
335.05255	0.4
335.09082	3.9
336.06213	0.4
336.09579	1.1
337.10663	7.3
338.11139	1.9
349.07071	0.7
350.07693	0.4
351.08615	10.0
352.08917	2.6
353.10074	0.3
363.08594	15.5
364.08942	3.4
365.10165	0.3
374.10159	0.3
378.79480	0.2
381.09656	100.0
382.09995	28.0
383.10339	0.8
398.13327	0.3
543.14880	0.4
611.13312	0.3
629.14972	3.7
630.14856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05520	3.8
57.03440	3.5
61.02680	0.6
61.02935	6.3
65.03943	0.6
67.05163	1.3
67.05509	20.1
69.03428	1.9
69.07070	5.5
70.06593	1.3
71.04986	1.6
71.44713	0.5
72.08157	0.6
73.02923	2.7
79.05494	11.2
81.03416	2.4
81.07063	32.5
83.04984	2.3
83.08630	5.3
85.02910	8.9
85.06540	2.0
86.09695	0.8
91.03962	6.4
91.05492	8.4
93.06446	1.2
93.07049	24.6
95.04996	3.2
95.08617	6.7
97.02888	4.6
97.06534	4.3
99.04445	0.9
99.08092	2.0
103.03915	1.0
105.04533	0.8
105.07029	3.4
107.04972	0.6
107.08599	10.4
109.02909	0.9
109.06506	1.3
109.10136	0.6
110.07051	0.6
111.08099	3.0
116.05020	0.5
117.07025	4.0
119.04881	0.6
119.08549	1.0
121.06527	0.9
121.10137	5.9
123.11755	0.6
125.09586	0.6
127.03939	2.2
127.07585	1.5
127.42215	0.5
131.08575	6.5
133.10130	8.0
135.08041	1.2
135.11700	6.3
137.05943	1.1
139.11214	1.1
145.04991	2.8
147.11661	0.6
149.09641	2.4
149.13269	14.4
151.11218	1.3
156.09911	0.6
159.11708	15.1
161.13268	2.3
161.14511	0.5
163.06050	5.3
163.07352	0.9
167.10672	2.1
167.14276	1.1
177.12750	32.3
179.14326	9.8
183.06531	1.1
185.11720	0.8
195.13808	5.6
213.14900	1.7
215.14398	0.6
233.15291	1.6
248.23166	0.5
251.16426	6.6
269.17490	100.0
270.17853	2.5
287.14929	3.2
287.18100	0.9
292.72775	0.6
305.16119	1.2
339.18152	0.9
395.20532	0.9
413.21552	3.3
431.22806	3.0
448.11694	0.6
646.24921	0.7
646.34802	0.9
647.19684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.9
70.70734	0.8
79.05447	1.1
81.07061	1.3
81.91934	0.8
83.08678	0.7
85.02894	1.2
93.07048	1.0
95.08609	1.3
96.46825	0.7
97.06528	0.9
107.08608	1.1
119.08624	0.9
122.25060	0.8
133.10081	1.0
135.11827	0.9
143.46762	0.8
145.10094	1.3
266.65518	0.8
276.68604	0.8
279.91351	0.8
316.20010	1.9
381.09158	1.0
387.23645	1.9
391.22443	1.2
405.28479	1.3
500.32263	1.8
557.34204	2.6
575.35370	3.1
585.33679	1.1
601.36737	1.9
603.34784	11.2
619.37604	1.6
629.36353	7.5
647.37347	100.0
648.37500	6.3
656.22449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66653	0.2
55.05509	0.3
67.05505	0.7
69.07079	0.3
73.76042	0.2
77.00923	1.0
79.05502	0.8
81.07067	0.8
83.08622	0.3
84.08144	0.2
91.05473	0.5
93.07044	0.5
95.01917	0.2
95.04971	0.3
95.08617	0.3
96.39483	0.2
98.23080	1.2
105.07031	0.7
107.08547	0.2
117.07037	0.3
119.08553	0.5
121.10101	0.5
128.16022	0.2
131.01961	0.2
131.08612	0.3
135.04428	0.3
137.95842	0.2
145.10175	0.2
147.11742	0.4
151.07494	0.2
159.11722	0.3
163.03957	0.6
169.07187	0.3
171.05049	0.2
183.08688	0.3
187.06505	0.2
187.08090	0.4
190.13503	0.4
195.87491	0.2
201.09726	1.5
209.10283	0.3
215.09296	0.4
215.11328	0.7
219.10800	0.5
223.11815	0.4
224.11459	0.3
224.85666	0.2
227.11301	0.5
233.10324	0.4
239.11324	1.3
241.12892	0.5
243.14491	0.5
245.14381	0.4
251.11247	3.2
252.11688	0.3
253.12914	0.9
253.26933	0.2
257.12354	1.7
269.12323	5.6
270.12549	0.3
271.14197	0.3
274.12811	0.4
275.20175	0.7
292.14008	0.3
317.19626	1.4
335.21915	100.0
336.22308	2.8
337.21109	0.3
351.20316	0.3
352.20465	0.6
353.21823	7.5
354.21817	0.4
357.20355	0.5
358.22614	0.4
376.23364	0.8
419.22293	0.8
437.23102	0.7
447.25671	0.7
529.33508	0.3
547.34454	0.7
647.24603	0.4
647.43805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01873	4.2
55.05511	11.4
56.84673	0.9
58.39259	1.0
65.03933	1.8
67.05506	14.3
69.03424	2.6
69.07059	8.1
71.04987	2.4
71.22334	1.4
71.22681	1.3
75.75948	1.0
79.05492	16.9
79.60233	0.8
80.95367	1.0
81.03429	3.5
81.07054	33.8
83.04992	6.0
83.08599	5.2
85.02900	15.0
85.06554	2.2
91.05475	15.5
93.07043	15.9
95.04950	6.9
95.08601	13.3
97.06552	3.0
97.10164	4.7
98.57592	0.9
104.05285	1.0
105.07019	15.7
107.04954	7.9
107.08585	12.3
107.35053	0.9
109.02893	1.7
109.06525	10.7
109.10168	4.7
111.04424	2.3
111.08124	2.1
115.05470	1.9
117.07018	7.4
119.08570	13.0
121.06488	7.5
121.10160	4.2
123.04438	1.5
123.08058	11.6
125.06025	2.1
125.09647	5.1
128.06227	1.4
129.07028	3.0
131.08562	12.2
133.06505	4.3
133.10114	10.0
135.04486	1.1
135.08022	8.1
135.11702	3.4
137.09602	3.3
139.87773	1.0
141.06970	1.8
141.09140	1.2
143.08562	3.7
145.06480	3.9
145.10112	9.1
147.08058	4.2
147.11705	3.7
149.09619	4.1
149.13269	1.2
151.07565	4.0
151.11194	2.8
153.12775	1.3
155.08611	1.9
157.10178	2.8
159.08060	3.7
159.11690	5.8
161.09615	12.0
161.13252	1.6
163.07533	3.2
163.11221	3.2
165.09106	2.0
165.12730	1.4
167.08482	1.0
167.82739	0.9
169.10124	1.9
171.11652	1.8
173.09673	3.4
173.13297	2.7
173.46819	1.0
175.11111	4.6
177.09111	1.8
179.10696	3.4
181.12242	2.6
183.11732	2.4
185.09723	1.0
187.11186	3.1
189.09215	1.8
189.11229	1.4
191.10600	1.2
191.14281	1.5
193.12225	9.9
197.09654	1.0
201.12752	1.9
203.10646	1.4
207.10109	1.6
219.13852	1.2
221.11734	4.1
235.13234	2.5
239.17966	1.6
243.17488	2.0
247.13136	1.4
257.19009	7.4
261.18433	3.1
271.16840	6.6
273.18835	1.1
275.20056	34.3
276.20441	1.4
289.17966	100.0
290.18353	3.1
291.19540	2.8
293.21149	13.0
307.18958	16.7
321.20572	35.1
339.21671	2.1
409.38235	1.1
436.16116	1.1
545.36542	1.0
563.37646	4.5
574.21759	1.2
581.38336	15.9
582.38550	1.2
599.39423	8.6
613.40948	3.8
631.41638	3.7
648.25183	2.2
648.39532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.96549	1.7
57.17400	0.7
61.17264	0.7
65.27535	0.7
69.65832	2.4
69.66238	1.1
79.05437	1.0
79.33773	0.8
79.90083	0.6
81.07043	0.9
93.07009	1.1
93.66061	0.7
95.04949	0.9
95.08586	1.7
98.23027	2.8
99.04466	0.9
107.08573	0.9
109.10143	0.7
121.10139	2.2
234.17274	0.7
253.11424	0.8
317.20874	1.7
333.17572	3.7
351.18481	7.4
355.16470	100.0
356.16776	3.0
369.19370	0.7
373.16568	6.0
498.14163	0.7
649.37463	95.8
650.37903	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01873	3.5
55.05510	8.8
57.03436	11.5
59.05007	1.7
61.02922	3.6
65.03944	2.6
67.05505	18.6
68.99796	2.0
69.03432	21.7
69.07063	7.6
69.69049	3.5
71.01334	2.4
71.04993	44.7
73.02932	5.1
75.04488	1.9
76.87232	0.9
79.05489	14.4
81.03422	20.8
81.07056	37.9
81.63261	1.0
83.04987	15.6
83.08636	1.6
83.31621	0.9
85.02905	100.0
87.00832	25.3
87.01386	1.3
87.04471	2.4
91.03963	1.3
91.05483	15.0
93.06454	2.0
93.07044	30.0
95.04965	8.7
95.08605	46.6
95.09219	2.3
97.02893	16.6
97.06529	3.2
97.10153	1.1
99.04451	9.4
103.03960	4.5
105.01870	26.0
105.07030	48.8
107.04958	2.3
107.08591	41.2
108.08977	1.1
108.25899	1.1
109.02875	22.6
109.06528	2.5
109.10157	36.4
111.04446	19.3
111.08054	1.4
113.05967	1.7
115.03934	1.3
117.01846	2.0
117.05453	1.3
117.07050	3.0
119.05067	1.2
119.06107	1.3
119.08582	30.0
119.09418	1.7
121.06520	1.5
121.10135	16.8
123.04399	2.0
123.11680	5.2
125.02393	1.7
127.03913	38.9
129.01877	5.5
129.05472	17.9
131.08575	2.6
133.10124	22.7
135.04449	2.3
135.11685	9.8
139.03935	3.2
145.04955	13.1
145.10141	3.3
147.02876	3.7
147.06494	5.6
147.11674	40.8
149.05956	1.2
149.13272	1.8
151.03949	1.7
153.05522	2.1
157.05011	1.2
157.10141	1.3
159.02927	6.4
159.11751	3.2
161.13249	11.1
163.14861	1.9
164.09181	1.2
169.04977	1.8
171.02908	2.7
171.06454	1.2
173.04509	1.3
175.14856	4.6
177.05377	2.0
181.04898	1.7
183.06554	1.0
189.03972	8.7
191.06995	1.6
201.16385	1.7
203.17947	56.2
204.18263	2.5
205.19658	1.4
213.03886	6.3
215.05551	1.3
221.18961	2.0
231.04901	10.9
231.08630	2.4
237.07613	7.5
247.06070	1.4
249.06137	3.0
255.08583	7.0
273.05908	2.0
285.06122	1.5
288.52560	1.1
313.21472	1.5
315.07382	1.3
315.10733	3.5
341.08655	4.4
349.23877	1.7
359.09506	6.0
377.10696	2.9
384.10904	1.2
512.73962	1.1
601.88708	1.2
650.28912	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06341	4.2
53.03943	4.0
55.01866	9.7
55.05516	24.6
67.05508	40.5
69.07066	17.1
69.24628	15.3
69.25032	9.6
79.05495	33.8
81.03404	6.3
81.07063	58.6
83.04997	7.0
83.08624	14.4
85.02915	51.9
85.06569	4.6
86.09691	5.4
91.05483	53.2
93.07050	34.6
95.04963	17.0
95.08604	25.3
97.06546	4.8
97.10167	15.9
100.78881	4.2
105.07035	47.5
107.04974	7.1
107.08588	23.9
109.06506	14.4
109.10136	8.7
111.08111	5.5
117.07013	14.9
119.08579	42.4
121.06536	12.2
121.10137	16.2
123.08096	8.8
124.99950	4.6
125.09633	10.3
129.07054	10.2
131.08583	19.3
133.10138	34.8
135.08049	13.4
135.11644	10.0
137.09631	5.0
143.08659	6.4
145.10130	25.6
147.08035	5.2
147.11668	36.9
149.09619	11.4
151.11160	10.0
157.10114	6.9
159.08107	7.3
159.11713	11.3
161.09599	7.4
161.13258	14.8
163.07602	8.3
163.11197	7.6
171.11684	8.8
173.13237	7.8
175.14896	4.3
179.10600	5.8
181.12219	8.3
184.07356	12.7
189.11208	12.0
191.10806	9.1
193.12260	12.5
227.12805	5.0
231.21159	8.8
241.19437	25.1
243.03079	3.7
244.11961	3.9
249.14975	6.5
253.46066	3.9
257.18887	5.4
259.20584	100.0
261.18594	5.2
271.16907	8.8
273.18781	7.2
275.20029	13.1
277.21545	6.9
289.18011	66.6
291.19553	64.1
293.20975	7.6
307.19037	24.5
321.20590	61.3
339.21716	7.9
367.67017	4.6
547.37659	14.1
565.38531	18.4
579.40210	6.1
583.39648	7.6
597.41064	7.0
615.42212	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	0.8
69.07063	0.8
69.19881	0.5
79.05499	0.6
81.07017	0.6
85.02913	1.0
86.09673	0.7
93.07048	1.1
95.08617	0.9
97.02920	0.7
97.06555	0.8
105.07069	1.0
107.04978	0.6
109.02909	0.5
113.60067	0.5
117.06991	0.7
119.08596	0.5
120.62737	0.5
121.80635	0.6
135.04448	0.9
147.11676	0.6
163.18546	0.6
257.38974	0.6
275.12653	0.6
285.07593	0.9
379.20996	0.6
402.07056	9.6
403.07846	50.5
404.08234	1.8
404.31836	0.6
431.07202	4.1
439.58884	0.6
444.11203	0.7
472.18469	2.4
547.12305	0.8
565.13019	10.7
592.24323	1.7
607.14160	67.1
608.14343	3.3
651.13092	100.0
652.13477	6.2
652.79474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74883	1.4
52.92866	1.3
54.24736	1.6
55.05512	6.8
62.31884	1.6
67.05503	10.1
67.52244	1.4
67.74060	1.6
69.03424	5.3
69.07069	5.6
69.22465	1.6
69.90057	5.0
71.04990	15.1
73.93919	1.4
79.05492	6.7
81.07063	14.7
83.04977	3.1
83.08620	5.1
85.06539	2.5
91.05462	8.9
93.07040	15.6
95.04971	2.7
95.08582	14.3
97.06528	2.9
97.10181	2.2
98.23386	3.3
99.08086	10.0
105.07021	9.3
107.08588	14.6
109.06511	2.9
109.10154	22.9
109.10810	2.6
111.08086	25.4
113.09670	2.7
115.89872	1.7
117.07001	3.2
119.08567	9.9
121.06466	1.9
121.10161	6.1
123.08083	3.6
125.09635	16.3
127.07515	3.3
127.11174	25.7
131.08600	6.9
133.10112	7.7
135.08066	3.1
135.11702	2.7
137.09627	7.0
139.11201	4.0
142.07806	2.6
143.08562	5.5
143.10684	6.2
144.09309	1.7
145.10132	8.8
147.11710	6.1
149.09621	2.7
151.11189	3.2
153.09068	2.1
155.08665	3.0
155.10661	100.0
156.10986	2.9
157.10158	8.4
159.11697	7.8
161.09569	2.3
163.11200	3.1
165.12825	2.3
169.10114	4.5
169.12245	1.9
170.16003	2.1
171.11656	3.7
173.13222	3.4
175.14865	2.5
181.12227	2.1
183.11700	4.8
183.13777	2.7
185.13284	4.3
191.14296	2.7
195.11665	2.3
196.12593	2.4
197.13263	10.8
199.14819	4.2
201.12816	1.6
201.16307	2.0
203.14383	1.6
207.11826	2.0
209.13277	4.9
209.15381	7.8
211.14838	7.8
211.16742	2.9
213.16356	2.3
215.14355	2.0
223.14806	3.6
225.16513	2.5
243.17599	2.1
245.19096	2.4
265.19604	3.7
283.20615	6.9
291.19595	2.3
292.19858	2.4
297.22168	3.7
305.21301	1.7
343.22620	9.0
349.25311	1.8
357.24298	6.0
417.31485	2.9
435.32675	5.1
453.33582	15.3
495.34445	8.0
496.33621	1.9
513.35834	16.4
514.35815	3.0
651.27856	3.7
651.43573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
53.03938	8.3
55.01873	17.4
55.05258	3.2
55.05509	49.1
56.05033	3.2
57.03428	12.9
57.07066	2.9
59.04993	2.6
65.03934	6.6
67.05501	100.0
68.05037	15.5
69.03432	17.9
69.07066	89.4
69.72006	2.3
69.72348	7.4
70.90506	1.7
71.01337	8.3
71.04985	18.3
72.72636	2.2
73.02892	2.6
79.05491	85.4
80.05817	2.4
81.03416	33.7
81.07053	98.2
82.07346	2.8
83.04981	16.8
83.08610	26.9
85.02922	3.7
85.06527	8.4
91.05476	82.4
93.07038	68.2
95.04963	39.3
95.08601	46.2
97.02872	10.5
97.06530	67.6
97.07055	1.5
97.10162	20.9
98.23392	2.9
99.04446	6.3
99.08083	5.1
103.05447	3.3
105.04530	9.9
105.07026	49.4
106.07368	2.2
107.04962	18.2
107.08588	38.8
107.63087	2.1
109.06520	28.3
109.10157	27.7
111.04411	2.8
111.08054	11.7
113.05984	7.5
115.05429	2.6
115.07564	9.2
117.07013	20.1
118.21461	2.1
119.08576	36.5
121.06493	12.1
121.10130	22.1
123.04411	3.0
123.08060	12.5
123.11668	2.8
125.09623	23.0
128.06209	2.4
129.07010	7.9
131.08549	30.1
133.06461	5.9
133.10124	29.1
135.04318	1.9
135.08072	13.9
135.11688	14.3
137.09615	14.8
139.07579	3.9
141.07028	2.9
143.08554	6.1
143.10683	2.5
145.06615	2.7
145.10083	17.9
147.08069	4.8
147.11679	14.9
149.09602	22.7
149.13234	8.7
151.07547	2.2
151.11192	4.7
153.09135	3.9
155.10616	3.4
157.10118	8.7
159.08066	4.1
159.11700	13.3
161.09616	8.4
161.13254	7.4
163.11185	13.3
165.09003	3.9
165.12810	2.8
167.10651	4.3
167.88515	2.0
169.10141	4.5
171.11664	4.8
173.11734	5.5
173.13243	5.6
175.11235	5.6
175.14793	2.6
177.12697	8.8
179.14301	4.4
181.12192	8.0
182.49606	2.2
183.11751	4.7
184.13316	17.6
185.13271	4.0
187.11159	3.4
189.11253	10.8
193.12207	27.0
194.12906	3.0
195.13742	3.3
199.13300	4.3
211.13361	4.6
218.15439	3.5
219.13829	3.0
223.13358	12.0
236.16403	8.2
239.18265	2.0
245.18942	2.6
257.19049	3.3
271.16980	4.1
273.18387	10.7
275.20102	36.3
277.21655	2.6
289.17990	17.2
291.19495	25.7
292.19650	2.3
293.21048	6.4
307.19125	9.8
436.94815	2.5
611.08899	2.1
641.78455	2.3
652.40210	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41398	3.8
53.03954	5.3
55.01873	14.3
55.05512	45.3
57.03436	8.7
57.07079	4.4
65.03967	5.5
67.05507	79.8
69.03442	13.5
69.07069	62.8
71.01337	7.1
71.04991	7.8
79.05502	82.8
81.03409	24.4
81.07059	100.0
83.04991	17.8
83.08622	21.7
85.02892	7.9
91.05481	68.4
92.71649	4.3
93.07044	66.4
95.04979	28.7
95.08614	45.8
97.02886	7.0
97.06548	34.1
97.10190	15.4
103.05440	6.0
104.91931	4.1
105.04501	5.5
105.07050	51.1
107.04951	20.1
107.08597	49.7
109.06532	19.2
109.09509	4.8
109.10149	25.1
111.08092	9.5
112.92874	4.5
117.07009	26.5
119.08588	41.0
120.86684	4.2
121.06537	17.0
121.10159	22.5
123.04426	5.5
123.08094	11.6
123.11756	5.3
125.09673	16.7
128.06210	5.0
129.07007	12.0
131.08580	27.2
131.36459	4.0
133.06520	8.1
133.10103	28.9
135.08064	13.3
135.11703	16.2
137.09607	11.0
141.07062	4.8
143.08594	7.0
145.10133	19.2
147.08081	12.7
147.11736	17.3
149.08658	4.6
149.09660	26.1
151.11200	7.0
153.09117	10.0
157.10210	9.7
159.07979	6.8
159.11734	15.1
161.09634	11.9
161.13310	6.2
163.11209	18.5
165.09210	8.4
167.10602	4.6
171.11716	5.3
173.11763	4.3
173.13234	7.1
175.11163	5.8
177.12764	4.8
181.12202	7.5
183.11795	4.2
184.13354	4.6
185.13284	8.4
189.11241	6.6
191.10652	5.6
193.12274	70.0
201.12712	7.7
211.13359	5.1
227.12755	5.7
247.20537	4.3
261.97617	4.2
271.16794	6.4
273.18372	7.9
275.20105	40.9
289.18060	41.1
291.19574	20.3
293.21143	13.9
307.19135	25.1
325.20306	4.7
456.57846	4.6
486.05283	3.9
575.22992	6.6
599.38928	4.7
635.24939	10.0
652.27942	5.0
652.44122	5.6
653.25891	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1713
Annotation	Ricinitin
Peak:m/z	Relative Intensity
53.03942	0.1
55.01870	0.2
57.03429	0.1
61.02916	0.1
65.95818	0.1
67.01856	0.4
68.99799	0.3
69.03425	0.9
70.06583	0.2
71.04987	0.1
73.02901	0.2
79.05485	0.1
81.03414	0.9
81.07042	0.1
85.02908	0.9
86.09676	0.2
89.06011	0.3
91.05469	0.2
95.04977	0.1
97.02904	0.5
99.04472	0.5
103.03951	0.2
105.07008	0.1
107.04938	0.3
109.02877	1.2
117.03384	0.1
118.04291	0.1
120.02032	0.1
125.02336	0.1
127.03906	1.6
129.01746	0.1
133.06415	0.1
133.08575	0.2
135.04422	1.1
136.07565	0.3
137.02336	0.3
137.05957	0.4
145.04982	0.2
151.03873	0.2
153.01813	3.7
161.02301	0.5
161.05980	0.1
161.09648	0.1
167.07033	1.1
169.04982	0.3
171.02922	0.4
175.07536	0.3
177.11143	0.1
179.03412	0.3
181.04936	0.3
185.05908	0.1
187.05997	0.5
187.07512	0.2
191.07072	0.1
205.07069	0.6
219.06453	0.2
233.08054	0.2
241.04858	0.6
245.04485	0.2
259.05881	0.1
263.05319	0.1
269.04401	0.4
287.05478	100.0
288.05820	3.1
309.11182	0.1
341.13763	0.3
353.13770	0.2
387.14291	0.3
449.10776	1.1
463.99133	0.1
623.43353	0.1
653.17310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2605
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05513	0.6
62.08127	0.5
67.05517	1.2
67.62948	0.5
68.23637	0.5
79.05502	0.9
81.07043	1.6
83.08612	0.5
85.82875	0.5
91.05475	0.9
93.07037	1.2
95.08639	0.7
98.23062	3.3
105.07024	0.8
106.22866	0.6
125.02293	0.7
136.84807	0.6
139.34877	0.7
157.04990	1.0
190.27473	0.7
197.10751	0.9
209.10838	1.3
217.07875	0.5
221.10735	0.8
223.12396	0.7
237.10220	0.9
249.10234	1.4
283.35178	0.6
291.19586	0.9
293.21164	1.0
298.13324	1.2
300.11514	1.1
300.14767	0.8
311.14249	0.8
312.11362	0.6
314.12836	0.8
314.16373	0.7
326.12994	1.5
327.13669	1.0
337.15683	0.7
338.12888	0.8
339.13724	0.8
340.10675	0.7
340.14459	1.4
342.16235	1.1
343.14194	0.6
350.16220	0.6
352.14542	0.7
354.12311	0.8
354.16153	0.8
355.13245	0.6
362.16083	0.7
363.16171	2.1
364.17184	0.8
370.15625	1.2
370.30881	0.6
373.14294	0.7
375.16397	1.7
376.16980	2.4
377.17569	5.4
378.18393	3.1
379.19070	1.1
384.13342	1.0
389.17828	1.7
390.18506	2.3
391.19208	10.0
392.20074	4.6
393.20663	5.5
401.17700	1.3
402.18692	0.8
403.19211	1.8
404.20032	2.1
405.20975	8.2
406.21765	3.9
407.22327	11.4
408.22684	1.3
410.18677	0.7
414.14532	1.9
414.19107	0.9
414.59964	0.6
415.14743	0.8
415.19540	0.8
417.16486	1.3
417.21017	1.8
418.17517	1.2
419.17609	1.0
419.23056	4.7
420.18787	1.5
420.23709	1.5
421.20593	5.7
422.17407	1.3
429.21146	0.9
430.17902	1.2
431.18698	2.2
432.19638	1.2
433.19733	3.1
434.21036	5.0
435.22055	14.4
436.23206	3.8
437.19778	2.8
438.20047	1.1
445.20956	2.8
446.20953	1.6
447.22330	4.5
448.22327	1.8
449.19681	1.5
450.20694	0.9
451.21359	5.7
452.21991	0.9
457.16055	0.8
459.17712	3.0
460.23248	0.8
461.23318	3.8
462.23938	2.2
463.21500	2.5
464.21973	0.9
465.19049	10.3
466.20071	3.0
473.20059	3.7
474.20389	2.1
475.21866	2.8
476.21408	0.6
477.19415	1.4
479.20648	24.2
480.21252	3.3
485.19763	1.1
486.17261	0.7
487.17508	0.7
487.21552	1.0
488.22314	0.9
489.18869	2.1
489.23004	2.9
490.23999	0.9
491.20404	0.6
491.24725	0.7
492.21338	1.3
493.26862	3.6
501.19034	5.5
502.20007	2.5
503.20822	2.1
505.18021	6.8
506.19919	2.7
507.24042	1.8
515.20801	6.6
516.21594	5.0
517.22351	30.8
518.23029	3.4
519.23828	2.0
520.20587	0.9
521.25470	8.5
522.26447	3.4
523.23151	1.3
531.23785	1.4
533.21851	2.3
537.25500	6.6
538.25720	1.1
547.23529	3.8
548.23645	0.9
549.24939	31.4
550.25220	2.4
551.22876	10.8
552.23822	0.9
561.21075	1.3
564.23853	0.9
565.24567	6.7
566.25201	27.2
567.25842	3.0
575.22864	10.2
576.23920	3.3
577.24268	1.1
579.22626	1.9
593.23907	19.2
594.24365	5.1
607.25446	5.8
609.27075	11.5
610.27435	1.1
625.26617	5.9
635.24945	84.2
636.25281	9.0
653.25995	100.0
654.26312	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2603
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05512	2.4
67.05524	3.2
68.74432	1.1
69.09686	1.1
70.89018	1.1
75.00376	1.0
78.05787	1.4
79.05483	3.5
81.07053	4.0
91.05504	3.2
93.07015	1.9
95.03146	1.2
95.04957	1.6
98.22696	1.3
105.07041	2.1
107.04994	1.1
107.08620	1.7
109.01507	1.3
109.10148	1.6
141.69789	1.1
145.10095	1.3
149.09599	1.4
178.04839	1.3
218.74654	1.2
246.17039	1.5
275.20181	2.2
287.75748	1.2
291.19690	2.4
292.20029	1.2
293.21100	1.6
352.14664	1.6
375.15903	1.8
377.17609	2.2
385.14066	1.9
389.17679	1.8
390.18396	4.0
391.19022	8.0
398.15204	1.6
403.14810	1.5
405.20621	7.9
406.21542	3.5
417.21185	1.7
418.17865	2.3
419.22324	4.9
420.23535	2.0
425.13101	1.3
427.87253	1.3
428.16016	2.7
431.18619	2.0
433.20175	4.6
434.20432	1.5
435.17892	2.2
436.19171	2.1
445.20261	3.0
449.19608	6.0
450.20523	2.3
451.20935	1.5
461.19772	4.5
463.21576	3.9
464.21683	2.9
465.23035	5.2
473.19873	2.9
477.22906	3.4
478.23581	1.5
479.20142	6.5
488.22287	1.6
491.20911	2.6
493.22318	21.1
494.22989	3.1
501.19385	3.9
502.19998	1.5
505.18582	2.4
507.23987	8.3
515.20563	3.9
516.21466	3.4
517.22449	6.0
519.20544	3.3
523.23291	3.3
533.22040	4.0
537.25586	11.1
538.25708	3.6
549.25098	2.1
551.22766	20.2
561.21545	5.7
565.24396	15.9
566.25177	75.4
567.25372	3.1
575.22827	2.8
593.23871	35.3
594.24695	1.6
621.23364	25.3
625.26465	8.4
635.25043	9.0
653.25995	100.0
653.36072	5.1
654.26617	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
69.13349	6.4
69.88926	0.9
123.80177	0.9
129.67339	0.9
167.23524	1.0
224.70149	1.1
261.29019	1.1
335.25687	1.1
390.18515	1.6
404.20166	1.3
405.20740	7.5
419.22516	4.3
420.23050	3.4
432.23471	1.0
433.23871	2.6
449.19772	3.5
450.20767	2.0
463.21439	4.0
464.22278	2.8
465.22897	1.6
475.21344	1.4
477.23187	1.6
478.23865	2.1
479.24472	15.9
487.21426	2.4
491.24771	1.2
492.24762	1.7
501.22913	1.5
507.27701	9.2
533.25500	1.5
537.25092	4.1
551.26428	13.5
552.26776	1.3
561.24994	3.8
565.28345	10.4
566.28845	68.7
567.29480	6.5
593.27570	9.3
621.26996	14.7
622.26917	1.7
635.28345	1.8
653.29669	100.0
654.29932	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
67.05502	2.0
68.61488	0.6
69.07072	1.0
70.03876	0.6
71.70270	0.7
72.48960	0.7
79.05515	1.7
81.07039	1.6
91.05490	1.4
93.07061	1.8
95.04995	1.4
95.08627	1.1
99.26910	0.7
101.73059	0.6
105.07034	1.2
107.08636	1.4
120.26360	0.6
121.10186	1.0
133.10175	0.8
145.10138	0.9
150.37273	0.7
163.11169	1.0
221.10768	0.9
235.12450	0.8
237.13905	0.8
275.20242	0.9
276.20526	2.0
281.80490	0.9
293.21106	1.1
310.13226	0.6
323.14542	0.8
324.15024	1.2
328.17960	0.8
340.18265	1.0
376.17087	0.8
387.16235	1.0
389.17938	1.1
390.18558	0.9
400.17615	1.2
401.17621	1.6
402.18628	1.6
403.19220	2.2
404.20789	0.9
405.20868	1.0
413.17944	1.8
414.18356	0.9
415.19260	2.2
416.20413	1.6
417.20886	4.1
418.21326	1.8
425.17413	0.8
427.19424	1.5
428.20013	2.6
429.21481	3.2
430.21613	2.2
431.17920	1.0
431.22565	2.2
441.21091	1.6
442.21454	1.2
443.23083	4.4
444.19247	1.0
445.23950	2.1
456.22516	1.0
457.16556	2.1
457.24158	1.2
458.24658	2.6
459.21988	1.4
460.22662	1.2
462.20200	0.7
463.21420	2.0
471.18414	3.0
472.19073	2.3
473.24335	4.6
475.21448	1.2
477.22803	0.9
485.19040	0.9
486.20496	2.9
487.21402	4.8
488.21902	1.0
489.22748	1.6
500.22351	1.0
501.22845	10.3
502.23328	3.7
505.25919	2.1
515.21088	2.0
517.19373	0.9
517.26270	4.8
519.23828	1.2
529.22485	4.0
533.25708	6.3
534.25427	0.9
546.22406	1.0
547.23389	3.4
548.24139	1.3
561.24945	26.6
562.25470	2.9
565.28259	5.8
589.24469	27.8
590.24841	2.0
593.27673	3.0
607.25354	3.1
615.74084	0.8
621.27063	100.0
622.27362	11.1
651.76276	0.8
653.29779	13.2
653.40674	0.9
654.30225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43900	0.5
67.05505	0.5
70.06395	0.5
70.64255	0.4
95.08624	0.5
100.11256	0.6
102.45084	0.4
120.19898	0.4
124.95934	0.5
156.60204	0.4
205.16060	0.4
216.54784	0.5
279.12045	0.6
329.17160	0.9
355.13107	0.5
361.19958	1.7
391.19150	0.5
405.20810	0.8
407.22583	0.6
421.19937	0.6
435.21793	0.9
451.21512	0.6
455.50378	0.5
465.19205	0.9
479.20892	1.6
490.23331	0.5
503.95178	0.5
505.18591	0.9
515.20685	0.7
517.22369	3.5
521.25757	0.6
549.25214	2.9
550.25159	1.0
551.22736	0.7
561.25092	1.1
566.25214	2.9
575.23047	1.1
593.23981	2.2
594.24115	0.7
609.27386	1.3
621.26917	2.3
621.37146	1.2
622.26959	0.5
635.25000	8.5
636.25305	1.0
653.26514	8.4
653.40186	100.0
654.27728	1.1
654.40497	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24451	0.5
55.05490	1.6
55.91732	0.4
56.18840	0.4
57.07081	0.7
58.06599	5.5
67.05503	1.0
67.74786	0.4
69.07063	1.9
71.08605	0.4
72.08158	3.5
73.06550	1.9
81.95097	0.4
81.98470	0.4
83.04975	1.9
85.08935	0.6
86.09703	30.4
93.07030	0.7
95.04953	0.5
95.08592	0.5
98.09731	0.5
100.11254	100.0
101.06006	2.4
101.11593	1.6
112.07584	0.7
128.10657	0.6
146.11731	2.7
154.15889	3.7
157.09900	0.4
159.08124	0.5
168.13951	1.1
172.13373	1.6
186.14941	1.5
200.16490	1.6
214.14371	0.8
225.16072	0.5
228.15942	7.0
230.87434	0.5
277.06119	0.5
285.21674	5.1
293.21115	0.7
309.21713	0.5
313.24786	6.2
327.22461	1.1
341.24323	11.4
342.24890	0.5
381.27548	0.6
409.27353	0.7
454.32721	2.9
472.33783	6.2
498.35727	0.9
499.41434	0.5
526.34882	0.6
540.36841	0.8
625.45306	37.6
626.46191	1.9
629.53546	0.5
653.27808	1.3
653.45044	15.4
654.45282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49567	0.5
53.03947	1.1
55.01858	1.8
57.03429	1.7
61.02917	1.0
65.28777	0.5
67.01844	1.0
68.99788	0.8
69.03427	5.0
70.03794	0.7
70.06574	1.6
71.04996	1.3
71.46774	0.6
73.02940	1.4
75.10193	0.5
78.04697	1.1
79.05482	1.9
81.03416	5.0
81.07049	0.6
82.67469	0.6
85.02896	12.4
86.09686	0.7
87.00816	3.5
87.04483	0.7
89.06038	0.8
91.05489	3.5
91.05968	0.7
95.04965	1.2
97.02885	6.1
97.06533	0.8
99.04449	2.8
102.04118	0.7
103.05456	1.4
105.01855	2.0
105.07018	3.7
106.04202	1.4
107.04955	12.5
107.08605	0.7
108.04424	0.8
109.02859	4.7
111.04401	0.6
113.69650	0.7
115.03923	1.5
115.05431	1.5
117.01855	0.7
117.03420	0.6
117.07016	1.6
118.08595	0.9
119.04920	1.9
119.08573	1.5
121.06499	2.8
123.04396	3.2
124.05180	1.5
127.03901	9.1
128.04219	0.7
128.06148	0.8
129.07030	4.0
131.04907	1.9
132.05736	1.6
133.06447	1.8
133.08597	0.7
133.10129	0.9
135.04404	2.5
136.04999	0.9
137.02354	1.1
137.05954	3.5
140.04593	0.8
144.05684	0.9
145.04974	2.8
145.06499	2.0
145.99930	0.7
146.07227	0.6
147.04414	1.9
147.08011	1.9
147.35463	0.6
149.05984	1.6
151.03894	1.5
151.07562	2.2
152.04706	1.6
153.01810	7.2
153.05379	0.9
154.02129	2.6
155.04968	0.9
159.02846	1.6
159.08041	2.8
160.05197	1.6
161.02304	0.7
161.05986	5.5
161.09615	0.8
162.02646	0.8
167.07033	77.5
168.07367	1.9
171.02861	1.0
172.03265	0.6
172.05150	1.4
175.07539	16.6
176.04662	0.8
177.05510	1.5
178.07712	0.7
179.06985	5.5
179.08318	0.8
181.04822	0.7
187.05989	1.2
187.07523	12.8
189.09198	0.9
190.07861	1.0
191.07011	6.2
193.08612	2.6
193.10185	0.7
199.07503	4.0
201.05507	0.8
201.09003	1.0
203.08476	1.1
205.06892	1.2
205.08636	1.8
206.07381	0.7
209.08028	2.9
211.16861	0.6
217.08603	2.0
217.47421	0.7
218.07257	1.0
219.08075	1.2
221.09587	2.7
231.04984	2.0
231.08073	0.8
233.09680	0.9
234.06662	1.5
235.07512	0.9
247.07561	1.5
248.07841	1.2
249.09108	3.6
250.09605	0.7
251.07059	1.2
261.09024	1.9
263.07123	0.8
263.10666	0.8
265.08643	1.1
266.09442	1.4
277.08578	2.4
278.09418	0.7
279.06329	0.7
281.11725	6.1
287.05484	96.5
288.05817	100.0
289.05978	4.8
289.08774	1.1
293.11786	0.8
294.08820	0.7
306.08636	1.1
307.09567	1.1
309.11145	6.4
310.11697	0.7
321.11154	3.1
326.11462	1.8
327.12259	0.8
339.12283	1.1
341.13815	35.2
342.14240	1.5
351.12393	1.0
353.13815	15.0
354.14285	1.0
355.15500	1.0
359.14819	4.2
365.13644	1.3
371.14853	7.5
372.14871	0.7
389.15939	0.8
409.65317	0.7
431.15118	1.3
450.11002	1.2
589.18994	0.8
599.26337	0.7
600.52521	0.7
655.23743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
54.32696	1.0
55.01886	7.5
57.03429	4.2
58.82627	0.8
61.02928	4.8
65.03976	1.1
68.99751	1.9
69.03435	21.8
69.38197	4.7
70.06583	1.2
70.15368	1.0
71.04996	4.2
73.02931	5.4
79.05493	5.0
81.03423	28.3
81.07040	1.0
85.02914	55.6
86.03184	1.1
87.00346	1.6
87.00839	21.5
91.05484	3.8
94.04206	1.6
95.04971	1.5
97.02901	26.5
98.22677	1.0
99.04465	10.3
100.43513	1.0
103.05487	2.3
105.01879	18.7
105.07045	2.3
107.04973	10.0
108.04481	3.6
109.02888	22.5
109.06550	1.5
115.05460	10.0
117.01884	3.4
117.07019	9.8
121.06541	1.5
122.03652	4.1
123.04422	2.9
124.05190	1.0
126.05597	1.3
127.03929	43.3
127.04873	2.3
128.06245	1.9
129.01836	3.0
129.07024	6.3
131.04956	3.8
131.08566	3.4
133.06505	3.4
135.04414	1.1
135.13252	0.9
137.05989	79.7
138.06325	2.1
139.07602	1.3
140.04688	1.7
141.07011	1.4
143.04910	8.0
144.05693	2.9
145.04967	19.5
145.06487	25.1
147.02927	1.8
147.04428	1.8
149.06087	1.2
151.03920	3.2
151.07506	1.8
153.05440	1.8
155.06030	5.2
155.07098	1.3
156.05684	4.0
157.06526	7.5
159.02927	14.4
159.08057	6.5
160.05219	15.8
161.05972	7.9
163.07558	1.7
167.07057	46.1
168.07281	0.9
169.06445	1.3
172.05214	3.2
173.06001	43.4
174.06651	3.1
175.07559	100.0
176.07878	2.6
177.05505	3.2
179.07039	1.9
183.06483	1.4
184.05173	1.4
185.05943	1.1
187.07562	41.9
187.09261	2.1
188.08025	1.9
189.09096	8.0
190.06270	18.6
191.07031	1.9
193.08623	7.0
199.07556	1.7
201.09100	2.2
202.06221	2.5
203.06972	6.9
205.08617	96.1
206.08980	2.4
207.06473	1.2
211.09396	1.0
213.04016	2.9
215.06888	1.4
215.08755	1.1
217.08614	43.9
218.07207	1.7
219.08295	1.4
219.10086	4.8
223.09694	1.7
231.05000	8.5
231.08154	1.0
233.09627	3.7
234.06818	1.4
235.09666	59.8
236.10059	2.1
239.07109	2.0
241.08571	5.4
247.07440	1.9
247.09641	7.8
248.07718	2.1
249.09125	4.0
249.11421	1.7
251.07098	1.2
261.09164	4.9
262.06137	1.1
262.30371	1.0
263.07138	1.7
263.10965	1.0
265.10721	50.0
269.08109	2.0
277.08609	3.9
278.09378	2.3
279.10129	1.1
281.11826	2.8
285.07602	7.5
289.08548	2.4
293.11682	3.7
300.09961	12.3
301.10751	6.1
307.09625	2.6
309.11139	6.0
313.10553	1.8
321.11200	9.3
322.11472	1.2
323.09140	1.5
325.10571	1.8
326.11383	2.2
338.11411	1.6
339.12204	2.9
341.13858	14.7
353.13858	24.4
354.14026	1.1
355.15408	3.8
371.14920	49.7
372.15265	2.3
434.83307	0.9
463.94678	1.3
533.40265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60268	0.2
55.96302	0.2
63.48755	0.2
69.66318	0.9
72.07652	0.2
75.04473	0.6
79.05489	0.2
80.35497	0.2
93.07052	0.4
117.78780	0.2
121.67020	0.2
141.27831	0.2
162.68884	0.2
206.55861	0.2
377.17685	0.7
379.19507	0.4
389.17307	0.4
391.19058	1.3
392.19916	0.5
393.20782	0.7
400.95831	0.3
404.20377	0.3
405.16208	1.5
405.20999	1.1
406.17413	0.5
406.22040	0.4
407.17996	0.4
407.22440	4.7
408.22931	0.9
418.17709	0.6
418.22424	0.3
419.18167	3.5
419.23270	0.5
420.18878	1.8
421.19748	1.5
421.30313	0.2
432.19559	0.6
433.20599	6.4
434.21048	5.1
435.21835	8.7
436.22452	1.2
446.20911	0.7
447.17865	1.8
447.22168	1.9
448.18683	1.1
448.23010	0.9
449.19223	2.3
460.22879	0.5
461.19739	1.5
461.24374	0.5
462.20285	5.8
463.21152	4.7
464.22070	0.5
465.23056	0.3
474.20010	0.3
475.21289	2.0
476.22000	1.1
477.23148	1.7
478.24112	0.3
479.20889	0.9
489.23102	1.6
490.23944	0.3
493.21661	1.0
495.23831	1.2
503.24448	0.3
505.23068	0.3
506.23102	0.4
507.20560	0.9
507.24054	1.0
508.24973	1.9
509.25583	1.9
517.22290	0.5
521.25616	11.4
522.25659	1.1
534.22565	0.4
535.27057	0.4
537.24561	0.3
547.27026	0.5
549.24890	17.8
550.25299	1.4
553.25452	0.9
563.26617	3.5
564.27185	1.0
565.24927	0.3
577.24359	1.0
579.25604	0.3
580.25983	0.3
581.27704	3.1
595.29224	10.3
596.29211	1.0
607.29120	0.7
609.27020	10.9
610.27338	0.8
623.28912	1.3
655.31134	100.0
656.31421	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10542	0.8
55.05482	3.3
57.07055	1.7
63.81973	0.7
67.05508	3.6
68.49699	0.7
69.07061	1.4
69.50811	2.8
71.04961	1.0
79.05448	3.0
80.05757	1.0
81.07052	5.0
83.04966	4.8
83.08580	1.3
90.14669	0.8
91.05436	2.8
93.06990	3.3
95.04918	2.4
95.08545	2.7
98.22798	1.7
98.23450	1.6
104.45936	0.7
105.06989	2.0
107.08528	2.5
109.06428	1.0
109.10104	1.3
117.06992	1.3
119.08537	1.8
121.10092	1.4
122.35917	0.8
129.06924	1.1
131.08505	1.3
133.10008	1.0
135.08017	0.9
149.09573	1.1
151.11092	0.9
163.11172	1.2
175.01428	2.7
181.02490	2.3
193.12227	7.3
194.12471	2.1
227.04561	1.1
232.09796	2.1
233.49184	0.8
247.12115	1.6
252.57620	0.9
289.17758	1.3
291.19522	1.7
292.19608	0.9
293.12766	5.5
311.13559	2.1
313.11719	2.1
391.19159	1.1
393.16495	1.3
405.16684	1.9
407.22604	3.6
419.18170	3.6
420.18991	1.0
421.19858	1.5
433.20450	4.6
434.20941	4.8
435.22012	10.5
436.22232	0.9
447.16751	1.6
448.17859	1.1
449.19354	2.3
453.19174	1.2
461.18854	0.9
462.20251	6.2
463.21103	6.5
475.20520	2.2
476.21429	1.6
477.22803	1.5
478.22821	1.2
479.20035	1.2
489.22556	1.2
495.23621	1.1
507.19553	1.0
508.24142	1.4
509.24588	2.8
521.25714	8.2
522.25922	0.9
531.20270	1.1
539.22729	7.5
549.24951	22.1
550.25195	1.9
563.25732	1.9
564.26709	1.5
581.26990	1.7
595.29236	22.8
596.28235	2.9
599.25067	4.9
609.27002	5.4
610.25574	0.9
613.25806	1.1
619.24780	1.1
623.24927	5.1
637.25562	1.5
637.35956	2.0
655.30243	100.0
656.31055	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.5
57.07061	1.7
60.50107	1.0
67.05485	3.8
69.07060	2.0
81.07047	1.8
83.04967	6.9
88.30062	1.1
91.05478	1.2
93.07017	2.0
95.04955	1.7
95.08627	0.9
97.06518	0.9
109.06503	1.0
109.10138	1.1
117.07002	1.1
119.08649	1.3
121.10019	1.0
129.06963	1.6
133.10088	1.3
147.11739	1.3
175.01508	3.2
181.02596	6.3
227.04736	1.9
298.33026	1.0
313.11902	4.7
323.93695	1.0
391.18982	1.4
405.16718	1.3
407.22168	5.0
419.18344	3.1
421.19919	2.2
433.20480	2.1
434.20801	4.5
435.21790	9.0
436.22278	1.4
447.17432	1.6
448.22717	1.3
449.19641	2.2
461.19040	2.1
462.20218	6.2
463.21161	6.1
474.21225	1.1
475.21503	1.6
476.22067	1.4
477.22525	1.4
493.22290	1.4
505.23615	1.2
508.24457	1.9
509.24973	3.3
521.25824	9.3
543.18939	1.8
549.24921	25.9
550.25146	2.0
555.23212	1.1
563.26440	1.8
564.26917	2.6
581.27319	2.3
591.22699	1.3
595.29211	22.4
596.29126	2.0
599.25629	6.0
609.26910	9.0
623.24487	6.1
655.30682	100.0
656.31293	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30944	0.5
55.05508	3.9
57.03435	3.5
57.07071	41.1
61.02921	12.7
67.05501	10.8
69.03418	1.0
69.07064	7.4
69.71274	1.8
71.04982	0.8
71.08625	34.7
73.02915	4.4
75.04462	1.8
76.04999	0.4
79.05470	0.7
81.03416	0.8
81.07055	15.8
83.08610	11.3
85.02409	0.8
85.02902	14.3
85.06521	0.9
85.10177	19.3
89.06040	1.0
91.03951	14.1
93.07041	1.2
95.08600	24.8
96.08898	0.7
97.02891	7.5
97.10172	4.6
99.04483	0.7
99.08118	0.8
99.11710	1.3
103.07526	0.5
107.08564	0.7
109.10144	11.3
111.11738	1.5
115.00994	0.5
115.03886	0.5
115.76643	0.5
116.48009	0.5
122.90150	0.4
123.11676	4.5
125.13259	0.7
127.03912	4.3
137.13226	2.3
145.04948	7.1
151.14789	0.9
163.06013	10.4
178.71439	0.5
197.05014	0.5
221.22662	1.4
239.23674	28.4
240.23964	0.8
257.24738	4.0
298.27563	0.6
313.27335	100.0
314.27628	3.1
324.84561	0.5
331.28381	18.9
332.28888	0.6
339.19000	9.5
377.24835	0.5
433.20123	0.5
435.21808	0.8
463.21490	0.6
475.33072	0.7
483.49280	0.5
549.24542	0.6
573.16119	0.7
577.24054	1.1
595.25287	1.4
637.38727	0.8
649.97260	0.6
655.27173	6.9
655.38153	5.8
656.27606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03932	1.9
55.01863	1.1
56.48603	0.6
57.03424	0.8
61.38858	0.5
69.03430	3.7
72.08109	0.7
73.02896	0.8
77.03936	0.9
77.49619	0.6
78.04708	0.6
79.05127	0.5
79.05500	4.6
81.03406	3.8
81.07037	1.1
83.05020	0.5
85.02895	9.1
86.09694	0.7
87.00826	3.9
91.05479	2.4
91.08240	0.6
93.07015	0.6
95.04967	3.1
97.02895	3.0
97.31763	0.6
99.04444	1.7
103.05455	7.7
105.01861	1.9
105.03387	0.6
105.04510	0.7
105.07027	3.7
106.95644	0.6
107.04965	5.2
109.02897	2.9
111.04439	2.3
115.05454	2.4
115.67677	0.7
117.01847	0.6
117.07006	1.3
119.04957	1.2
121.06483	2.6
123.04411	2.6
123.08032	0.7
124.05208	1.0
125.05934	0.6
127.03911	3.4
128.06223	0.9
129.01857	0.6
129.07002	1.9
131.04921	14.2
131.08524	0.8
133.06494	6.1
135.04410	100.0
135.08023	3.5
136.04758	2.3
137.06003	4.5
141.06973	0.9
143.04909	1.0
143.08499	2.2
144.05766	0.6
145.02782	0.6
145.04962	1.0
145.06490	1.9
147.04387	1.7
147.08058	1.2
149.05965	6.2
151.07567	3.6
152.04712	1.3
153.05481	0.8
157.06448	1.2
159.02864	1.1
159.08089	1.9
161.05980	16.0
163.07545	16.3
167.07028	55.8
168.07585	0.9
171.08032	1.6
173.05948	4.4
173.09576	1.0
175.07532	3.5
177.05431	0.8
179.07021	1.8
181.08583	5.8
185.05992	3.0
186.06752	0.9
187.07567	4.6
189.09052	0.8
191.07083	0.7
193.08582	5.0
199.07610	0.7
201.09084	5.8
205.08559	1.7
205.10229	0.6
207.10188	1.5
211.09666	1.4
217.08607	2.2
219.10159	6.9
231.04861	1.0
233.09569	1.0
233.11636	1.3
237.11192	2.1
251.12701	1.8
261.09119	0.8
263.10492	1.2
265.12445	0.7
291.10095	1.7
293.11777	1.4
323.12784	8.1
325.14273	1.1
355.15381	40.6
356.15756	1.8
365.13800	1.6
373.16440	40.6
374.16855	1.5
383.14853	1.9
397.16281	1.2
463.17401	0.9
467.15619	0.8
481.18066	1.1
499.19461	1.3
656.23450	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01858	2.4
57.03424	1.4
60.42553	0.6
61.02920	1.3
67.05508	0.6
68.99752	0.7
69.03434	8.6
69.61956	1.9
69.62318	0.5
70.06585	1.2
71.04974	1.1
73.02893	1.7
78.04671	0.9
79.05473	2.0
80.27284	0.6
81.03425	8.6
83.04966	0.7
85.02422	0.9
85.02913	17.1
86.09682	1.3
87.00830	8.3
91.03947	0.7
91.05487	4.5
93.03417	0.7
93.07032	2.6
95.04922	0.9
97.02902	8.1
99.04480	4.4
103.05463	2.6
105.01860	5.1
105.07011	2.2
107.04967	6.0
108.04491	1.4
109.02897	7.6
109.06539	1.0
111.04429	1.1
115.03917	1.2
115.05428	1.7
117.01846	0.7
117.07004	1.9
119.04924	1.6
119.08546	0.8
121.06516	4.8
123.04420	2.4
123.08072	1.1
124.05209	1.1
125.05997	0.6
126.05534	0.6
127.03934	12.3
128.06183	1.6
129.01837	1.2
129.06099	0.7
129.07007	8.9
131.04964	3.0
131.07794	0.6
131.08585	6.4
133.06503	1.5
134.08145	0.6
135.08000	1.1
137.05992	6.1
140.04747	0.9
141.06982	3.5
143.04979	1.0
143.08557	1.5
144.05669	1.2
145.04996	4.7
145.06470	2.0
146.07271	1.1
147.04462	1.0
149.05962	2.4
151.03870	1.6
151.07552	5.6
152.06161	0.7
153.05458	2.6
153.06670	0.7
155.07011	0.9
157.06506	9.6
158.07310	2.8
159.02946	3.2
159.08078	7.3
160.05209	0.9
161.05992	9.0
161.09613	2.7
163.07552	5.9
165.05446	1.2
165.06958	0.9
165.09155	2.7
166.06279	1.7
167.07053	29.8
167.08377	1.0
168.07373	0.8
169.06479	3.0
170.07300	1.1
171.08020	1.9
172.05255	0.7
173.06004	0.9
173.09579	0.9
174.06773	10.3
175.07556	7.0
177.05469	2.0
177.09137	10.3
179.07031	1.5
179.08496	0.8
181.04990	1.7
181.08604	24.4
182.07320	1.2
186.06773	3.3
187.07516	1.5
189.09116	40.1
190.09630	0.6
191.07085	2.8
191.10655	2.0
193.06767	1.2
193.08603	5.6
194.07188	0.8
195.08055	1.7
195.10030	0.5
197.09566	2.1
199.07507	1.1
201.09084	8.0
203.10661	3.6
207.08218	1.0
207.10196	4.3
208.08820	1.1
209.08026	0.7
210.06747	0.7
211.07626	0.9
212.08388	0.9
213.66650	0.7
217.08575	0.7
219.10176	100.0
220.10536	2.3
221.06001	1.0
221.11761	2.4
223.07590	1.7
223.11255	1.1
225.09126	4.4
229.12338	0.7
231.05016	2.4
233.11720	0.8
236.08330	0.8
237.09123	0.7
237.11259	1.8
239.06984	0.9
239.10764	0.7
240.07727	1.0
241.08551	0.9
243.10294	0.6
248.07698	1.9
249.11232	10.6
251.07004	0.9
251.10674	1.7
253.08664	3.2
255.06483	0.7
255.10217	1.1
257.08392	0.5
257.09366	0.5
257.11749	4.2
265.08765	0.9
267.10098	1.1
269.08023	0.8
270.08911	0.7
271.13324	0.8
273.11115	0.7
278.08624	0.7
279.10184	1.9
283.09674	2.9
283.13318	2.7
285.11209	7.7
296.10422	1.3
297.11194	1.7
299.09192	0.9
299.12790	0.8
301.14627	0.7
302.11517	1.0
311.12766	1.4
315.12277	5.6
317.13837	6.0
318.88889	0.6
327.12201	1.3
329.13824	2.2
330.06595	0.6
331.15323	1.5
341.13922	2.4
343.15500	9.0
353.14050	0.9
361.16473	94.2
362.16837	3.0
365.13846	0.8
371.14838	2.3
373.16556	8.0
383.14886	1.5
385.16537	2.2
395.14789	0.6
397.16428	1.7
419.13788	1.0
427.17618	1.2
451.17435	2.5
469.18506	1.1
555.18652	1.4
573.19379	0.8
591.20544	0.7
656.23944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.95493	0.5
55.01865	0.9
56.71810	0.5
57.03413	0.7
61.02911	1.8
66.04693	0.8
67.05482	1.1
69.03425	3.5
69.07044	0.7
71.04987	0.7
77.03918	0.7
78.04693	1.1
79.05489	4.2
81.03410	2.2
81.07048	1.7
83.04961	0.7
85.02905	11.7
91.05461	4.9
93.07034	1.7
94.04176	2.7
95.04947	1.8
95.08611	1.2
97.02888	3.2
97.06521	0.7
103.05460	8.1
105.07018	4.2
106.04186	1.0
107.04952	6.9
108.05718	1.0
109.02878	1.2
109.06491	2.5
115.05433	4.4
117.07021	1.6
119.04917	1.7
119.08578	1.5
121.06524	3.5
122.03643	5.7
123.04453	3.0
123.08055	3.6
124.05202	2.4
125.05993	1.4
127.03915	2.4
128.06206	1.6
129.06990	1.7
131.04924	17.5
131.08542	1.7
133.06480	3.7
133.10129	1.0
135.08038	2.8
136.05167	0.8
137.05974	100.0
138.06293	2.7
141.06966	1.1
143.04936	6.3
143.08540	2.6
144.05672	1.2
145.04970	1.2
145.06453	3.3
145.10118	2.0
147.04433	0.5
147.08041	1.7
147.11711	0.5
149.06012	0.9
151.07536	38.9
152.04634	1.4
152.07883	1.6
153.05452	0.6
155.08540	0.5
157.06512	2.6
158.07277	1.9
159.08041	2.3
160.05194	3.5
161.05956	2.2
163.07539	44.8
164.07886	1.2
165.09134	1.0
167.07033	67.2
168.07384	1.6
169.06453	0.7
169.08739	0.6
169.10231	0.5
171.08060	4.0
172.05194	2.1
173.05943	1.4
173.09639	2.3
173.13286	0.5
174.06763	1.9
175.07544	29.1
175.14830	0.6
176.07848	0.7
177.05353	0.7
177.09209	1.2
179.07027	1.2
180.08606	0.8
181.08588	2.4
186.06866	0.5
187.07542	14.4
187.11095	0.6
188.08266	1.9
189.05252	1.7
189.09096	8.2
190.05376	0.6
190.07916	0.8
191.06987	0.8
191.10625	0.7
193.08606	4.3
201.09129	5.4
203.08754	0.9
203.10666	16.0
205.08481	0.8
205.10164	2.1
205.12003	0.7
207.10159	1.3
209.11797	0.6
209.56920	0.5
215.08688	0.7
215.10715	1.0
218.07274	0.6
219.10181	3.3
221.11746	1.0
233.09561	4.9
233.11736	13.6
241.08409	0.5
261.09106	4.6
262.09747	0.9
265.12305	3.0
275.10666	1.4
278.09384	1.0
293.11639	10.0
294.12265	1.0
295.09543	0.7
296.32355	0.5
325.14337	46.3
326.14676	3.7
355.15463	1.0
357.16943	86.2
358.17200	5.7
375.18127	3.5
399.17935	0.8
415.19812	0.6
417.19165	5.0
638.29333	0.6
656.27277	3.5
657.30768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42801	1.1
62.98265	1.7
66.55635	0.9
77.03938	1.0
79.05489	4.0
91.05498	3.4
95.04972	2.1
105.03386	1.9
105.07061	1.5
107.04967	6.1
109.10130	1.0
117.07044	1.2
119.04984	1.1
121.06519	3.4
122.03659	1.5
123.04433	2.6
124.05209	1.6
128.06216	1.2
133.02856	31.3
133.06494	1.5
135.04367	1.2
136.05229	1.2
137.05978	15.9
145.06506	2.7
149.05978	2.5
151.07538	31.4
152.04671	1.5
157.06480	2.8
158.07285	1.6
160.17393	0.8
161.06042	1.9
165.05479	9.1
165.09109	8.1
167.07034	52.9
168.05730	1.0
169.06467	0.9
170.07191	1.5
171.08060	3.7
171.61386	0.8
172.08809	3.8
173.05933	1.3
174.06815	2.3
175.07544	1.7
177.09116	5.4
179.07021	2.5
181.08591	5.7
183.08009	1.1
184.08778	5.0
185.05882	1.4
187.07492	1.2
188.08350	6.9
189.09088	13.1
190.09601	1.0
191.10641	1.1
193.08562	2.7
200.08272	5.2
201.08963	4.4
203.10657	13.1
205.08595	1.4
205.12192	1.0
215.10669	33.8
217.12688	1.0
231.10117	2.1
232.08723	0.8
233.11699	12.8
235.11011	0.9
246.10503	1.4
251.10803	1.7
260.09695	0.8
261.09161	1.2
262.09869	1.2
263.10703	1.0
265.30206	0.9
266.04117	0.9
274.09946	1.8
275.12784	100.0
276.13232	4.3
277.08633	2.3
277.12234	2.5
279.10043	1.8
289.08432	1.1
290.09305	1.9
291.09933	1.9
291.12750	1.1
305.11658	6.9
306.12488	1.2
309.11462	1.3
309.14899	2.0
315.12335	1.5
337.14343	11.6
338.14841	1.6
339.19064	11.5
340.19467	7.6
354.11346	1.1
355.15384	1.2
355.19104	6.5
369.16940	14.8
397.16608	4.3
527.16046	1.9
629.22144	1.1
656.38898	5.9
657.21454	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46495	1.0
55.65707	0.9
70.64404	1.5
93.07040	1.1
95.08611	1.8
100.67580	1.1
106.91658	0.9
110.94883	1.0
127.03432	1.0
132.08031	1.2
144.08078	1.2
161.23112	0.9
211.12524	1.1
223.12389	1.2
234.11430	1.4
247.12361	1.6
249.13654	1.1
261.13327	1.0
273.13733	1.0
275.15482	1.3
276.14938	1.0
277.13281	1.0
288.16278	1.6
300.14923	1.1
316.14462	1.9
318.16046	2.0
336.14920	1.1
338.16669	1.1
350.16061	1.0
352.17792	2.8
362.16382	1.2
364.18073	1.5
365.17883	2.2
376.17676	1.3
377.17657	3.5
378.18915	2.7
379.19424	4.9
381.20773	1.8
389.17633	1.3
391.19247	3.3
392.19958	3.1
393.17010	2.8
393.20923	3.0
394.22150	1.4
403.19733	1.4
405.20724	3.1
406.21915	2.1
407.18582	3.5
407.22534	2.9
408.19186	4.4
409.20297	6.1
418.17999	1.4
419.18381	3.1
421.20044	4.1
421.24454	3.1
422.20908	6.1
423.21823	19.5
424.22037	3.7
426.21158	1.6
433.20276	2.3
434.21210	1.7
435.22205	5.9
436.22940	5.1
437.23755	5.0
438.21234	1.4
446.21008	2.4
447.21964	1.8
449.23703	3.2
450.23923	3.6
451.20651	5.3
452.22388	1.2
453.22748	1.7
454.20303	2.3
461.23618	9.2
462.20618	1.8
463.21158	3.8
464.21729	3.1
465.22607	3.4
467.24930	6.0
468.24448	3.5
476.22418	1.6
477.22968	5.2
478.23575	3.3
479.25226	6.8
481.22211	3.3
491.20779	2.3
493.22375	4.9
493.27213	1.6
494.27121	7.2
495.23782	14.1
496.24545	6.4
505.21884	2.2
506.22128	1.3
507.23990	2.3
508.24738	16.0
509.25549	13.7
510.26245	12.1
511.27304	14.6
516.24384	1.7
519.23547	1.7
521.25824	5.2
522.25751	3.3
523.23340	3.9
525.27722	1.3
526.28876	2.2
537.25006	16.9
538.25598	9.4
539.26208	1.8
549.24396	1.4
551.22681	1.5
553.28577	9.1
555.26123	2.2
565.24365	3.4
566.24921	2.4
570.28027	2.4
581.27649	17.7
582.27527	3.0
583.25134	5.7
597.27039	40.0
598.27563	7.8
607.25177	1.3
613.30139	75.1
614.30310	8.2
625.26508	100.0
626.26715	13.1
657.29370	11.3
657.40155	2.1
658.29224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3757
Annotation	Mauritine J
Peak:m/z	Relative Intensity
52.48378	0.6
55.05509	0.7
58.90054	0.7
69.51634	3.0
75.03305	0.8
79.05486	0.7
81.06587	0.7
81.07046	1.6
91.05495	0.9
95.08643	1.6
110.82407	0.9
142.32857	0.6
160.36664	0.6
162.67970	0.6
178.97787	0.7
181.54803	0.7
196.17027	0.8
221.11456	3.6
249.10965	1.7
263.12555	2.8
313.24796	0.7
331.18756	1.6
333.15887	0.6
333.20172	1.6
349.17920	2.6
465.22675	2.2
493.23315	0.9
555.32703	0.8
581.27350	0.7
597.28784	0.8
639.28180	1.6
639.38257	1.4
657.28711	12.9
657.37982	100.0
658.28955	2.6
658.38379	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01833	1.2
57.03433	1.1
61.02879	1.0
61.09255	0.2
68.99748	0.9
69.03423	6.6
69.49098	0.4
69.49495	0.6
71.01347	0.3
71.04965	0.5
73.02923	1.1
75.04454	0.5
81.03411	5.8
85.02898	9.4
87.00818	4.3
97.02878	3.7
99.04437	1.5
103.03882	0.3
103.67418	0.2
105.01871	1.8
109.02863	5.1
115.03845	0.3
117.01784	0.6
127.03051	0.3
127.03915	5.9
129.01787	0.8
129.20288	0.2
145.04944	1.1
147.02835	0.3
159.02876	2.0
193.06528	0.3
195.07932	0.3
205.06519	0.6
206.07274	0.3
207.07942	0.4
208.08688	0.2
218.07217	0.3
219.07936	0.4
220.05228	0.3
220.08723	0.2
221.05965	1.4
222.06593	0.2
223.07526	0.4
231.04904	0.8
232.10884	0.3
233.05914	1.0
234.06648	1.2
235.07477	1.4
236.08116	0.3
245.05965	0.3
246.06766	0.5
247.07497	0.7
248.04704	0.2
248.08324	1.2
249.05389	2.7
249.09129	0.5
250.06100	0.6
250.09814	0.4
251.07040	1.1
251.10641	0.5
259.03952	0.5
261.05450	1.1
262.06207	1.3
263.07001	4.5
264.07776	5.2
265.05106	0.3
265.08499	1.3
266.09360	0.5
274.06140	0.8
275.07019	1.4
276.07785	4.5
277.04922	2.4
277.08521	1.4
278.05658	1.4
278.09320	4.7
279.06479	3.0
279.10071	1.6
280.07394	0.4
281.11615	0.4
287.03445	0.7
289.04922	1.7
289.08118	0.3
290.05664	2.7
291.06503	4.8
291.09830	0.3
292.07257	7.6
293.08002	3.1
294.05255	0.6
294.08710	3.0
298.08200	0.3
303.06488	0.7
304.03949	0.2
304.07248	5.5
305.04385	4.3
305.08054	5.6
306.05136	0.6
306.08728	3.7
307.05951	5.1
307.09589	2.9
308.06543	0.8
308.10223	0.4
309.07532	0.9
309.11081	5.4
315.02893	1.4
317.04453	0.5
317.08063	0.5
318.05222	0.7
318.08743	0.3
319.06000	2.2
319.09592	0.9
320.06763	20.5
321.07492	9.0
321.11316	0.5
322.04828	0.6
322.08286	7.5
323.08890	0.7
323.66580	0.2
324.09781	0.3
331.05957	0.3
332.06772	0.6
333.03867	3.1
333.07581	2.5
334.04437	0.4
334.08255	3.6
335.09094	46.3
336.09821	13.9
337.07013	2.3
337.10632	19.8
338.07761	0.6
338.11166	0.4
346.04688	1.4
347.05426	1.6
348.06253	17.9
349.07028	2.2
350.07748	2.1
350.11557	0.8
351.04770	0.4
351.08624	4.7
352.09360	10.8
353.09973	0.4
354.11047	0.3
361.02628	0.5
361.07043	8.3
362.07672	2.1
363.08588	48.5
364.05588	0.6
364.09402	2.1
365.06509	1.6
365.10358	0.4
366.07111	1.1
366.11057	5.1
367.11758	24.5
368.12161	1.0
377.06314	0.4
377.10382	0.5
378.07291	4.9
379.07999	2.8
380.08856	3.0
381.09647	48.5
382.10080	2.4
389.08200	0.2
393.09644	24.7
394.10352	3.7
395.11218	3.7
396.08151	1.6
409.09067	0.5
410.10001	0.3
411.10696	100.0
412.11081	4.2
435.10684	0.5
555.15125	0.3
623.13605	0.3
641.15088	1.4
659.28522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35252	18.9
69.77789	16.8
70.18256	16.0
72.13483	19.7
82.02541	15.8
89.06052	23.9
91.09904	19.7
163.67896	16.8
272.82568	17.3
658.41962	37.1
659.23108	100.0
659.42303	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.235
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
52.65598	0.8
67.05495	0.9
81.07069	2.0
91.05475	1.4
93.07081	1.0
95.08602	1.0
119.08652	0.9
121.10130	0.8
140.13550	0.8
141.43901	0.7
146.15227	0.7
148.14986	0.8
195.10075	1.1
246.51927	0.8
253.13293	0.7
263.07913	0.9
273.76291	0.7
274.61273	0.8
291.19571	1.3
311.90213	0.8
333.20294	1.9
399.14539	1.6
400.15387	4.5
408.12534	0.9
409.13086	0.9
410.14648	1.1
414.16736	2.5
420.12503	0.9
421.13202	1.7
422.13727	4.6
423.14563	3.5
424.15521	1.5
427.17993	1.1
428.18179	1.1
429.19321	1.7
430.19031	1.0
435.14636	3.0
436.15436	5.0
437.16144	9.8
438.16763	2.6
441.15219	1.3
449.16556	1.3
450.17166	4.4
451.18665	4.3
452.18536	3.0
455.17239	2.1
456.17490	1.6
457.18213	0.8
463.13681	1.1
464.14902	3.0
465.15591	4.0
466.16165	1.6
467.17471	2.1
469.14685	1.6
477.15598	1.5
478.16547	2.5
479.17142	2.9
480.18283	5.7
481.14816	1.0
481.19193	1.3
482.15652	1.1
483.16824	2.9
484.17245	2.2
485.17755	1.0
492.18713	0.9
493.19043	9.8
494.15179	1.4
494.19659	1.1
495.16208	4.3
496.17313	2.7
498.15384	1.7
506.16266	1.5
507.16910	2.5
508.17526	6.5
509.18073	4.0
511.19119	0.9
512.16425	5.1
521.18250	11.8
522.15125	2.4
522.18799	2.6
524.16583	1.5
525.21497	1.2
539.19092	1.5
540.19727	2.0
543.22852	2.0
549.18091	1.1
553.20880	9.0
570.20502	1.0
571.21539	2.2
572.22192	2.9
581.20349	47.9
582.20483	5.0
599.21277	16.8
600.21075	4.4
609.20026	1.0
613.22961	10.9
614.23572	1.2
622.22821	3.3
631.23853	3.4
641.22430	100.0
642.22845	10.0
658.40320	1.1
659.23706	24.1
659.40839	13.2
660.24060	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10200	0.6
66.58369	0.7
67.05496	1.1
69.30865	0.6
69.41762	2.8
71.07513	0.6
77.03941	0.6
79.05501	2.9
80.05019	2.1
80.57073	0.6
81.03419	0.7
81.05813	0.8
82.06587	1.9
89.03907	1.2
91.05476	2.2
92.05010	0.8
93.05819	1.1
93.07052	4.7
94.06561	10.4
95.04961	1.4
95.07330	4.8
96.08128	12.3
103.05482	1.3
106.06554	1.8
107.88657	0.7
108.04486	3.1
108.08114	15.1
110.06030	1.3
110.09674	19.3
116.04959	3.8
118.06570	1.9
120.04451	4.9
120.08101	13.2
122.06033	7.7
123.06774	0.8
124.07586	11.2
132.04410	0.7
134.06024	3.0
136.07579	14.2
138.05545	1.4
138.09140	20.0
138.10159	1.3
144.04472	5.6
146.05980	7.5
148.07564	5.6
152.07028	3.3
154.61023	0.6
160.03969	4.1
160.07535	1.5
162.05489	5.6
164.07069	3.3
166.08627	22.6
166.10030	1.4
167.09027	0.8
172.03934	24.3
174.05502	3.3
176.07068	6.7
184.09981	1.0
185.10735	1.4
187.12297	0.9
188.06964	1.0
188.10936	0.7
190.04988	31.1
192.06546	0.7
195.09229	1.4
197.10864	1.0
198.07605	0.8
198.09229	1.4
199.08662	1.5
199.12236	0.8
204.06557	49.0
205.06909	1.1
207.09109	0.7
211.08716	2.3
211.12253	1.0
212.09343	1.6
213.10237	5.8
214.11047	1.2
215.11816	4.2
221.10760	0.9
223.08737	1.3
223.12297	0.9
224.09450	1.6
225.10123	3.4
226.08853	1.0
226.10994	0.9
227.11728	3.9
229.13399	1.6
235.08720	1.6
236.09575	2.0
237.10315	3.2
238.10989	3.2
239.08345	0.7
239.11777	2.0
241.09781	5.0
243.11288	18.5
245.12917	1.1
249.10284	3.8
251.08304	1.5
251.11903	2.5
252.08932	1.1
253.09813	2.3
255.11299	4.0
256.12067	1.8
257.09222	0.8
257.12799	1.6
259.10779	0.9
262.10977	0.7
263.08133	1.8
263.11890	1.6
264.08951	3.0
265.09741	2.9
266.10562	1.8
267.11362	2.5
269.09250	5.1
269.12930	1.3
270.09866	1.3
271.10733	3.3
273.12405	9.1
277.09677	4.2
278.10565	0.8
279.11209	4.2
280.12076	0.9
281.09311	1.3
281.12698	1.5
282.09845	1.3
283.10779	6.9
284.11551	1.4
285.12335	29.7
286.12903	1.0
287.10242	10.1
291.11118	1.2
293.09317	1.2
295.10999	1.4
296.11441	1.0
297.12335	11.8
299.10486	1.7
299.14044	4.5
300.15002	1.4
301.11771	4.4
302.12851	1.9
303.13388	26.8
304.13867	1.5
307.10767	2.6
309.12326	1.5
311.10352	2.3
313.11981	2.5
314.13019	1.5
314.16452	1.1
315.10236	1.0
315.13812	1.5
316.10867	1.8
316.14532	2.4
317.15454	0.9
318.16138	1.1
323.10196	7.4
325.11813	39.5
326.12671	3.2
327.13571	6.1
328.10724	1.1
328.14523	2.1
329.11566	2.3
329.15237	1.0
330.12424	3.3
330.16165	1.3
331.13062	1.8
332.14069	1.0
337.12082	1.4
339.13553	1.9
340.14627	1.8
341.15491	0.9
342.12558	1.1
342.16214	1.1
343.12888	6.4
344.14117	4.2
345.14859	1.5
346.15613	3.1
347.16364	2.3
353.11295	1.1
354.12393	1.9
354.16205	1.6
355.13504	1.4
356.13806	1.6
356.17499	0.8
357.10818	1.1
357.14575	10.5
358.11719	1.7
358.15524	7.9
359.16537	1.4
360.17181	1.0
362.15030	0.9
367.13461	1.0
368.13913	2.2
369.14816	0.9
370.11917	2.5
370.15976	1.4
371.12509	3.5
372.13193	5.1
373.14331	2.0
374.14633	3.5
376.16724	1.6
377.17206	0.7
381.10712	1.5
382.15552	2.3
383.12628	1.5
384.13379	1.9
384.17493	1.1
385.14404	3.7
386.14896	14.2
387.16162	5.5
388.12500	1.0
388.16760	1.9
390.18372	1.1
392.15881	1.2
394.17532	2.0
396.13608	2.6
398.14886	1.9
400.16708	3.0
401.13687	2.1
402.13855	4.7
402.17361	1.2
402.18927	1.5
403.15631	1.0
404.16107	7.9
405.16714	1.1
406.17618	3.4
410.15070	3.1
412.16757	1.5
413.14426	1.3
414.14490	18.3
415.15271	26.3
416.15799	4.3
417.16943	1.2
418.17419	4.4
420.15546	6.7
421.51517	0.8
426.14517	1.5
427.15170	1.0
428.16226	4.6
430.17987	5.1
432.15451	17.6
433.16122	1.7
434.17004	0.9
438.14581	3.9
444.15118	5.9
446.17017	3.8
456.15475	11.3
458.17386	0.8
462.16534	21.2
464.18250	2.1
474.16592	52.6
475.17099	4.4
476.17984	3.4
488.18002	2.0
494.19247	1.9
506.19199	9.9
539.23541	0.8
581.23761	2.8
583.25696	3.6
585.23462	8.6
586.23615	0.9
591.22668	1.8
599.24609	4.9
600.25439	0.9
609.23352	13.7
610.23541	1.8
627.24445	100.0
628.24670	10.8
641.25958	1.9
659.27362	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	15.2
69.07072	3.0
71.46886	0.6
71.95265	1.0
78.69569	0.4
79.05515	1.2
82.81263	0.5
92.87565	0.5
97.96846	1.2
98.97598	1.6
102.71985	0.5
103.85983	0.5
110.97578	2.2
115.97802	0.7
116.56344	0.5
116.98637	1.1
123.01238	0.6
128.98605	3.9
134.52428	0.5
137.02768	1.4
143.00209	1.0
146.99663	2.4
151.49924	0.5
153.02278	0.6
155.03748	0.9
159.03242	0.7
161.01215	1.0
167.03740	0.9
169.01733	0.9
171.03302	1.4
173.04822	0.8
175.02803	0.5
179.07071	1.9
181.05365	1.0
183.03221	0.5
185.04863	2.0
187.06433	0.9
189.04292	0.7
197.04750	0.6
199.06448	5.5
200.06680	0.5
203.05937	2.3
203.07590	0.6
205.01715	0.9
205.05803	0.6
205.07410	3.1
207.07001	0.9
211.06412	2.1
213.07996	0.7
215.05959	0.6
217.05453	1.0
217.07462	8.1
221.08549	0.7
222.07869	1.1
223.02756	2.5
223.08519	1.8
225.07976	2.3
226.05130	0.6
228.09117	0.7
229.07480	1.3
231.09067	0.6
233.08488	0.8
237.04329	2.1
237.07971	3.6
239.09474	2.8
240.09055	0.7
241.07486	0.7
243.07018	0.6
243.09055	3.0
249.07956	0.6
251.09537	2.2
253.11121	2.7
255.09058	19.3
257.10602	1.1
262.08841	1.4
263.09586	1.2
265.11160	1.1
266.10562	0.7
269.10635	1.9
271.12140	0.7
273.10117	9.9
277.11047	2.6
278.10745	1.7
279.09033	2.1
279.12695	1.4
280.09778	5.5
281.10577	2.2
295.12256	1.0
297.10123	1.3
297.13571	0.5
298.11029	2.9
299.11667	1.1
303.16180	0.7
313.14719	0.6
321.17374	1.4
331.15805	36.2
332.16083	2.0
349.16864	100.0
350.17242	3.7
357.93750	0.6
367.17941	52.1
368.18109	2.0
372.18494	8.2
390.19522	11.2
391.19843	1.0
424.02933	0.7
641.36426	0.8
659.39484	1.1
687.55627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	36.0
61.92617	0.5
69.07027	0.9
69.67912	0.5
70.37360	1.3
71.43400	0.5
71.95255	2.5
74.97565	1.1
97.96794	1.9
98.22778	0.7
98.97598	1.2
105.00150	0.9
110.97552	3.3
112.99026	0.5
115.00710	2.5
116.98558	0.6
123.01146	1.7
124.99248	0.6
127.00678	1.3
128.98587	2.8
129.02208	1.2
133.01703	0.8
137.02692	1.7
139.00644	1.9
141.02190	1.8
143.00148	0.8
145.01671	0.6
146.99564	1.7
147.03281	0.6
149.01149	0.6
151.00630	1.0
153.02225	3.6
155.03786	1.7
157.01755	1.4
159.03226	1.7
165.02245	1.1
167.03751	3.2
169.01671	1.8
169.05351	1.1
171.03279	7.7
173.04820	1.1
175.02808	0.8
181.05298	1.7
183.03191	2.0
183.06866	0.9
183.97746	0.6
185.04858	9.2
187.06351	0.8
189.04382	4.2
191.03697	0.5
191.05888	1.3
191.07413	0.7
193.05342	1.7
195.06967	2.8
197.04832	1.6
197.08624	0.6
199.06415	13.2
201.04276	0.9
203.05901	6.8
203.07617	0.6
205.07457	1.5
207.06999	2.5
209.04755	1.0
209.08574	0.6
211.06384	5.1
213.05959	0.6
213.07976	12.3
215.09520	0.8
217.05449	0.9
217.07484	11.0
219.06985	0.8
221.08606	2.5
223.06490	1.3
223.10162	1.1
225.07979	7.3
225.11549	0.8
226.05138	0.5
227.09583	4.8
229.07458	1.9
231.06851	2.8
231.09030	9.3
233.08481	0.8
236.09483	0.8
237.04404	0.8
237.07961	6.0
239.09555	6.4
241.07468	0.6
241.11111	2.0
243.09039	4.5
245.10588	3.9
248.09633	0.8
249.07964	5.8
251.05977	1.3
251.09529	14.2
253.07373	0.7
253.11102	1.5
255.09029	30.6
257.10507	3.2
259.12177	0.8
261.07822	0.9
262.08765	1.2
263.09528	1.2
267.09033	46.0
268.09375	1.0
269.10608	67.8
270.11050	1.3
271.12140	0.8
273.10074	13.4
277.11127	1.7
278.10611	2.0
279.08905	3.4
279.12402	0.6
280.09814	2.0
283.08484	0.7
285.10104	45.2
286.10471	1.5
287.11661	18.5
289.11249	0.9
290.10678	2.8
291.12659	3.9
292.12167	5.2
295.12146	0.9
297.09964	1.5
303.11273	3.8
307.12216	1.4
307.15680	0.7
308.11710	3.2
309.13696	4.2
313.14722	1.7
325.13229	1.1
327.14868	0.8
331.15747	14.6
332.15732	1.1
334.09515	0.5
349.16849	54.9
350.17114	2.4
367.17923	100.0
368.18265	4.6
372.18420	1.6
385.19040	6.5
390.19507	11.9
391.19949	0.8
424.53043	0.6
463.23755	1.4
547.29230	0.7
561.31128	7.7
577.30225	1.0
641.37128	2.6
659.38257	66.4
660.38739	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	16.6
67.05456	0.9
71.95240	1.1
78.00107	0.6
84.70593	0.7
97.96801	4.7
98.97508	0.9
105.07039	1.1
109.08958	0.6
110.97541	2.9
111.98314	0.9
115.97801	2.8
116.98603	0.8
128.98593	4.3
141.02193	0.9
141.99303	1.4
143.00185	1.5
146.43080	0.7
146.99620	2.9
148.00446	0.7
155.00098	1.6
160.00388	1.2
161.01201	1.2
165.02322	0.8
167.03857	0.8
167.97353	1.0
169.01686	0.8
171.03265	2.6
173.01134	1.1
174.01970	0.7
181.01628	0.7
183.03201	0.8
185.01193	1.1
185.04869	4.9
185.98343	1.3
187.02682	0.8
189.04347	1.5
190.05125	1.0
195.06967	1.5
198.05577	1.6
199.02747	1.5
199.06425	3.5
201.04286	1.2
202.05196	1.0
203.05963	3.1
205.07390	1.4
207.07024	0.8
209.05040	1.2
211.06364	1.6
213.08026	6.1
217.07478	3.2
221.08640	1.0
223.02782	1.4
223.06291	1.4
223.08226	1.3
223.10139	2.7
224.07118	1.3
225.07950	2.4
227.05885	2.2
227.09552	1.4
229.07405	1.3
231.09006	5.0
237.04266	2.0
237.07983	2.0
239.09586	7.0
241.03955	0.9
241.11110	40.5
242.08337	3.7
243.09120	1.6
245.10472	1.1
251.09441	2.3
253.11122	3.1
255.05328	1.4
255.09030	2.2
257.10632	3.7
259.12164	37.3
260.09286	2.2
262.11218	0.9
264.12738	3.8
267.09045	3.2
269.07660	1.2
269.10559	7.9
270.11191	0.8
271.12137	1.5
279.09039	4.4
280.09799	4.5
281.10706	1.0
282.13788	3.0
285.10031	1.8
287.11591	2.7
289.14670	0.9
297.10068	6.9
298.10849	9.2
299.11154	0.8
305.17999	1.2
307.15787	2.2
313.14713	0.8
315.11258	1.3
316.11954	5.8
321.12823	1.4
323.18881	1.2
325.16949	1.0
329.14249	1.7
331.15784	15.1
347.15280	4.7
349.16840	84.8
350.17151	2.3
365.16275	4.9
366.16794	1.6
367.17914	100.0
367.40604	0.9
368.18198	2.7
369.19427	0.8
372.18542	2.5
385.18973	5.3
388.17838	1.2
390.19482	19.2
391.20099	0.9
424.20264	0.8
641.37305	1.1
659.38226	77.6
660.38715	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14698	0.6
53.03938	1.0
55.05515	1.3
62.48298	0.6
65.03924	0.6
67.05502	3.6
68.70590	0.6
68.71896	0.6
69.03427	1.0
69.07075	2.0
71.45325	0.6
77.03922	0.6
79.05479	1.7
81.03420	0.7
81.07071	3.6
83.08624	0.8
85.02892	0.8
91.05482	2.4
93.07052	2.6
94.06592	1.8
94.75394	0.6
95.04961	1.4
95.07372	0.8
95.08614	10.5
96.02765	0.7
96.08122	2.3
103.05444	0.9
105.07060	3.5
107.08610	1.6
108.08115	2.0
109.10173	3.6
110.09678	2.9
111.04454	3.3
116.04996	1.5
119.08585	1.1
120.08112	2.5
121.10138	0.9
122.06024	2.6
123.08073	9.7
123.11733	2.2
124.07581	2.6
125.92855	0.7
131.08553	0.7
133.10081	0.8
135.08102	3.5
136.07584	3.3
137.13248	0.9
138.09169	3.7
144.04478	3.3
145.10123	1.5
146.05969	0.8
147.11726	0.9
148.07562	1.1
149.09589	1.7
150.05548	1.1
151.07549	100.0
152.07916	5.1
159.08063	1.6
160.03931	1.4
161.07217	0.7
161.09608	1.3
162.05498	1.9
162.06699	0.8
163.11182	3.6
164.15329	0.6
165.09106	4.3
166.08655	5.4
170.09604	1.9
172.03951	17.1
173.04298	0.8
173.09592	3.1
175.07529	7.3
175.08871	0.9
176.08330	4.7
177.09114	18.2
178.09521	1.1
187.12328	2.9
189.09026	1.4
190.04997	3.4
190.09940	1.6
191.10675	92.0
192.11015	6.0
198.07442	1.0
198.09155	13.4
200.09328	1.1
200.10928	1.0
203.10710	1.4
204.06577	26.8
205.06860	1.0
205.12251	36.3
206.12610	2.5
212.10907	1.2
215.11830	10.7
217.08560	4.0
218.09056	1.3
219.13799	1.9
225.10388	0.8
226.08629	3.6
227.11775	1.0
228.08708	0.9
240.10333	1.2
241.09775	0.9
241.13248	1.1
242.10530	1.5
243.11302	55.8
244.11586	2.6
251.23705	2.9
255.11261	3.0
257.12878	3.4
277.10846	0.9
277.25385	0.9
285.12354	50.8
286.12753	3.4
297.12485	1.4
301.11826	3.8
302.12607	0.8
303.13412	51.5
304.13867	3.2
323.25797	1.8
325.11789	4.8
326.12247	0.8
357.14362	1.3
358.15204	1.1
397.31268	0.8
413.17896	0.8
415.32181	3.2
418.17545	0.8
443.31641	1.3
461.32623	13.3
462.16333	1.4
462.32764	2.8
470.16757	1.5
474.16162	1.4
476.18268	1.0
583.24994	1.5
627.24030	1.8
641.25854	7.0
659.32526	12.4
660.31439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
67.05495	0.4
69.03410	0.5
81.03424	0.4
81.07036	0.4
85.02902	0.6
85.48156	0.2
87.00766	0.3
87.44815	0.3
97.02917	0.5
98.23470	0.8
101.02367	0.2
109.02901	0.6
109.10192	0.4
127.03906	0.4
141.77417	0.3
145.10059	0.3
147.76401	0.2
196.35266	0.3
205.06488	0.7
220.05304	0.3
229.10902	0.3
233.05940	0.9
248.04744	0.7
261.05396	0.7
262.06055	0.3
263.07022	3.7
264.04120	0.9
264.06891	0.3
276.04144	4.5
277.04828	0.3
277.08316	0.3
278.05661	0.5
279.06406	0.2
289.05032	0.3
290.05826	0.4
291.06497	20.3
292.03793	0.5
292.06860	0.9
304.03659	1.9
305.04303	0.6
305.07693	0.3
306.05157	1.1
307.09802	0.3
319.05963	8.2
332.03119	2.1
333.03827	0.3
333.07553	0.5
334.04822	2.6
335.05420	0.5
347.05478	16.2
348.05905	0.6
349.07001	1.7
350.03601	0.3
351.08661	0.6
361.06927	0.3
362.04044	2.0
363.08783	0.3
365.06293	0.4
377.06525	100.0
378.06894	3.3
381.09680	2.7
395.07562	8.9
408.48184	0.3
660.32434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01869	2.4
57.03434	1.0
61.02924	1.0
68.99792	1.1
69.03428	7.2
69.07076	0.6
71.05000	0.9
73.00568	0.5
73.02920	1.6
81.03418	8.1
84.20229	0.5
85.02904	13.7
87.00817	5.0
89.34441	0.5
97.02897	6.0
99.04457	2.1
105.01876	3.5
109.02871	7.7
109.10199	0.6
115.03918	0.7
117.01876	1.1
117.06989	0.7
119.00352	0.6
127.03913	10.5
129.01843	0.7
145.04959	2.2
147.02925	0.7
159.02859	3.0
179.08589	0.7
192.05861	0.6
201.05434	0.5
204.05774	0.6
205.06473	1.3
207.08031	3.1
213.03973	1.2
216.07875	2.5
220.05150	1.5
222.06670	0.6
231.04965	2.0
233.06010	1.7
234.06703	1.0
235.07498	4.8
237.05676	0.6
246.06685	0.7
247.07538	0.5
248.04723	2.1
249.05408	0.5
250.06285	2.2
261.05463	2.5
262.06238	8.8
263.07001	6.4
265.08698	1.1
274.06299	0.7
276.04092	1.6
277.04904	1.1
277.08582	0.9
278.05780	8.2
279.06503	1.5
283.07477	0.5
289.04996	1.2
290.05609	4.7
291.06479	7.3
292.03860	0.8
292.07178	1.5
293.08093	13.4
295.05798	0.5
303.06653	1.1
304.03641	1.5
305.04352	0.7
305.08038	1.0
306.05185	7.7
307.05902	1.7
318.05301	0.8
319.05969	10.4
320.06741	7.7
321.07556	25.1
322.04678	1.3
322.08066	1.2
332.03290	2.9
332.06842	0.8
333.03839	0.9
333.07648	0.8
334.04666	1.6
334.08463	0.7
335.05344	1.0
336.06351	4.9
337.07053	7.5
347.05487	10.1
348.06161	0.9
349.07101	1.1
350.07892	1.4
351.04596	1.3
351.08603	13.1
362.04031	1.0
363.05029	1.2
364.05515	0.9
365.06558	58.8
366.06769	3.5
377.06516	10.9
378.07428	3.8
379.08200	6.2
393.06006	5.1
395.07608	100.0
396.07959	5.4
396.26007	0.6
521.10474	1.2
607.10632	2.0
625.11700	2.3
660.32721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87815	0.4
58.06578	1.0
63.02367	0.8
70.06576	1.0
72.07788	0.7
72.08150	7.1
78.04654	0.4
79.05463	0.7
81.07051	0.4
84.08131	1.2
88.23514	0.4
89.03910	6.0
91.05463	0.8
95.08593	0.6
105.07014	0.5
107.04957	0.6
110.09661	0.7
112.11235	3.1
117.03372	19.1
118.08650	8.9
118.98238	0.4
129.13841	2.4
134.03670	0.7
135.04404	4.8
137.05983	0.6
145.02840	60.4
146.03145	1.4
146.16522	1.2
149.05974	5.6
151.07539	2.2
155.11781	1.5
155.80040	0.5
163.03889	13.5
164.27437	0.4
164.32266	0.4
166.08600	1.1
172.03842	0.5
172.14424	0.8
176.06975	0.7
177.05455	100.0
178.05884	2.3
181.04970	1.0
186.05429	0.9
191.10703	0.7
219.08844	0.7
220.09671	2.8
233.12914	2.4
234.11232	49.6
235.11586	1.4
238.27248	0.4
247.14384	0.9
248.12807	4.4
251.14040	1.2
291.16907	0.8
304.20184	0.8
305.18558	7.0
310.67950	0.4
322.21225	11.0
325.11926	0.4
348.19168	1.4
381.09573	1.0
429.29578	0.5
466.23575	1.0
467.21805	0.8
480.24918	12.0
481.24503	1.2
484.24399	7.3
485.24561	0.6
498.25958	98.5
499.26208	6.5
506.19415	2.1
510.21622	0.5
660.29602	1.7
661.07898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
54.20555	0.8
55.01862	1.9
55.05514	9.2
57.03436	6.1
57.07083	1.2
65.03925	1.4
67.05502	8.2
68.77995	0.8
69.03433	4.9
69.07059	3.9
69.71835	2.6
69.72179	0.9
70.06609	1.5
71.01342	1.1
71.04990	27.0
73.02911	3.7
75.04475	3.1
79.05477	5.3
81.03423	1.6
81.06647	1.0
81.07050	5.2
82.36114	0.8
83.04984	12.5
83.08624	3.1
85.02901	47.2
87.04452	1.7
91.05465	6.3
93.07021	4.4
95.04954	5.1
95.08611	10.3
95.74798	0.8
97.02894	3.7
97.06520	1.9
97.10161	14.0
98.23446	1.7
99.04460	4.1
105.07027	19.0
107.04939	1.0
107.08606	4.0
109.02895	2.7
109.06499	1.5
109.10154	25.3
111.04446	13.5
111.08093	2.3
117.07043	4.1
118.07821	2.9
119.08575	49.8
121.06517	1.3
121.10131	3.0
123.04459	1.0
123.11712	1.7
125.05994	3.5
127.03928	3.2
128.06259	4.6
129.05478	17.9
129.06956	6.2
130.07790	1.0
131.08572	7.9
132.09398	1.0
133.06419	0.8
133.10124	24.6
133.11153	1.3
135.04428	1.9
135.08073	1.0
135.11668	1.0
135.95132	0.8
137.05960	1.6
137.09642	1.0
139.07536	2.2
141.06972	5.6
142.07797	4.9
143.08556	23.7
144.09277	1.2
145.04927	2.1
145.10109	9.5
145.58286	0.8
147.06514	9.5
147.11707	5.6
153.09094	1.4
154.07784	4.7
155.08571	4.4
156.09335	25.6
156.10614	1.3
157.10139	13.5
159.08005	0.9
159.10594	0.5
159.11691	14.7
161.09550	1.1
161.13205	1.4
163.07483	1.2
165.09084	1.0
167.08507	1.8
168.09317	1.4
169.08659	1.5
169.10117	30.5
170.10892	4.4
171.11681	28.3
172.12039	1.0
173.09583	2.3
173.13269	2.9
179.10683	1.6
181.10161	1.2
183.11693	8.1
185.09477	1.2
185.13252	4.4
187.11133	5.7
191.10652	4.9
193.12260	2.3
197.09604	8.7
197.13283	2.6
199.14925	0.9
201.09088	1.8
201.12703	1.7
201.16389	2.7
203.10654	12.6
205.12234	12.9
207.11734	1.0
211.11179	2.3
215.10667	85.3
216.11064	2.0
217.12216	8.4
229.12230	30.9
231.13794	1.6
239.10739	1.0
243.13765	12.1
255.08650	1.2
255.13637	1.0
257.12970	1.0
257.15308	6.2
271.16876	1.4
273.09607	2.0
283.17047	1.1
285.18463	1.8
297.18600	2.6
299.20044	100.0
300.20413	3.0
309.11942	2.2
309.18130	0.9
311.19891	1.2
317.21091	18.6
321.18307	1.1
323.20010	4.0
327.19443	1.1
341.20905	1.1
353.20850	1.4
365.21243	1.8
371.22415	1.1
391.22476	3.8
409.23654	9.3
427.24762	3.6
445.25604	1.4
463.27277	1.0
660.42859	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48171	0.4
54.59715	0.4
55.05520	0.7
57.03441	0.6
58.51998	0.4
65.25430	0.4
67.05501	1.0
69.03417	0.6
69.12530	0.9
69.12933	1.4
70.06573	0.7
73.02901	0.6
77.89851	0.4
79.05483	0.6
81.03438	0.7
85.02910	1.2
91.05480	0.9
93.07050	0.6
95.04951	0.5
95.08625	0.6
96.08174	0.5
97.02914	0.7
105.07043	0.8
109.10154	0.4
111.50373	0.4
112.99094	0.4
120.08125	0.7
137.05969	2.9
145.02875	2.4
146.03217	1.0
151.07510	2.6
159.04208	1.6
163.03850	0.4
163.07596	0.8
166.08626	0.9
167.07047	3.3
172.03949	0.9
175.07579	0.7
177.05495	6.0
178.05838	1.7
189.05251	1.9
195.06348	1.4
204.06635	0.6
227.11786	0.7
234.11302	1.7
235.11414	0.9
325.12006	0.7
365.06497	0.8
366.06744	0.9
367.07303	1.2
435.16519	0.6
439.17133	1.9
453.17392	0.5
481.25214	1.0
498.25974	1.6
499.19421	3.8
499.26297	3.2
535.22278	0.5
601.22546	1.5
613.07147	0.4
629.25977	1.3
657.17059	0.6
661.24542	100.0
662.24896	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07389	1.2
77.09528	1.2
79.05505	1.3
81.07059	2.7
87.04452	2.1
93.07008	1.5
103.22413	1.1
158.02589	1.1
169.30263	1.2
185.78525	1.4
220.63347	1.0
384.11899	1.5
398.13577	1.7
399.14429	9.7
400.15158	1.6
412.15375	3.7
413.16135	12.4
414.16904	46.9
415.17184	9.7
426.16779	4.9
427.17758	11.4
428.18314	18.7
429.18790	10.1
440.18408	1.7
441.19281	7.7
442.19910	11.6
443.14291	2.5
443.20773	32.9
444.20923	5.1
455.20288	2.4
456.21280	1.7
457.15115	6.0
458.15884	18.7
459.16180	1.7
469.18564	12.4
470.18549	1.8
472.17188	4.7
473.17892	3.5
481.14658	1.9
483.19995	1.9
486.18509	1.7
487.19882	24.9
488.19983	5.6
496.16733	2.0
498.22202	1.9
501.21075	1.7
509.18237	1.9
510.18539	1.5
511.19415	1.6
513.17621	4.3
525.21204	5.2
526.21649	19.8
527.21399	3.5
530.17517	2.1
530.25281	34.7
531.25507	5.1
541.20691	3.4
556.23010	8.0
557.23999	35.7
558.24261	45.5
559.23816	7.4
574.24261	100.0
575.24500	16.2
589.26379	4.1
601.22510	1.6
602.23309	16.2
604.21527	2.4
617.25714	6.7
633.25470	6.0
643.23773	9.7
644.23621	2.0
661.24780	21.8
661.41614	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2616
Annotation	Calyflorenone A
Peak:m/z	Relative Intensity
55.05502	1.0
57.03436	1.4
61.02913	1.1
67.05503	4.2
69.07059	1.2
69.58274	0.7
69.81971	2.3
76.89404	0.6
79.05486	1.9
81.07060	2.4
85.02937	1.0
88.33614	0.6
88.62867	0.6
91.03986	1.0
91.05461	1.2
93.07052	2.0
95.08608	2.2
96.15417	0.7
97.02892	1.4
98.98482	2.7
105.07034	1.7
107.08598	1.6
109.10185	0.9
110.62781	0.8
119.08567	1.3
130.18550	0.6
131.08594	0.9
133.02847	1.9
135.11610	0.8
137.06015	0.8
151.07520	3.9
153.25964	0.7
155.01059	1.9
160.11256	0.8
335.25803	6.3
337.27426	0.9
365.74765	0.7
601.24548	1.0
633.60999	0.8
660.41351	1.0
661.26105	100.0
661.41931	4.0
662.26422	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64390	1.1
70.10123	1.1
70.36318	1.4
70.36652	2.1
79.05506	2.0
80.05029	2.2
81.07053	1.4
89.03909	1.0
91.45777	0.9
93.05787	2.0
94.06580	2.7
94.66361	1.0
104.74540	0.9
105.07021	1.2
106.06566	3.1
107.07327	8.7
107.08598	1.1
108.08112	34.4
116.04965	5.5
120.04475	4.7
120.08123	3.2
121.11906	0.9
122.06030	3.5
122.09672	18.2
134.06009	2.1
135.06844	1.3
136.07588	1.6
144.04410	5.8
146.06013	8.1
148.07520	2.0
148.31033	1.1
150.09142	42.3
160.04004	1.7
160.07565	1.4
162.05489	2.7
166.08618	1.5
170.09642	1.5
172.03934	22.0
174.05522	6.2
176.07083	4.2
177.31313	1.0
184.32668	1.0
188.07004	1.1
190.04993	19.9
190.06651	1.6
197.07076	1.2
199.08698	2.9
201.10287	1.2
203.07860	1.0
204.06560	31.8
211.08733	1.9
212.09360	1.5
213.10246	4.9
215.11819	4.5
216.37943	1.0
223.08653	1.7
224.09442	1.0
225.10287	3.1
226.08749	1.1
227.11743	2.0
228.40938	1.0
229.13190	1.4
235.08528	1.4
237.10193	3.0
238.11049	3.2
241.09753	3.3
243.11263	21.6
249.10255	2.5
251.08009	1.8
252.08926	2.6
253.09663	1.5
253.13260	1.3
255.11316	1.7
257.12808	6.4
264.08997	1.7
265.09677	4.7
266.10434	2.3
267.11322	1.8
269.09229	3.8
271.10696	3.1
273.12411	1.6
277.09784	2.0
279.11310	2.3
281.12729	9.7
283.10983	6.0
283.14148	5.9
285.09219	1.9
285.12335	32.8
287.10190	7.1
294.10074	1.7
297.12491	3.7
298.13446	1.2
299.10287	1.3
301.11899	2.5
302.12729	1.5
303.13382	50.1
304.14108	1.9
308.11816	1.4
309.12308	37.6
311.10812	1.2
311.13901	6.5
313.11874	1.9
316.10791	1.7
316.14276	1.5
318.16205	1.2
321.14392	3.2
323.10263	6.5
326.12814	1.2
327.13626	7.0
329.11688	1.7
330.12534	3.6
331.13260	1.1
339.13507	1.7
340.10919	1.2
341.15259	7.9
343.13254	2.4
344.14072	5.2
346.15533	2.7
347.16452	1.3
354.16251	1.4
355.13129	2.5
356.13983	2.1
357.15085	1.7
358.15778	6.5
368.13898	2.1
370.11761	2.5
370.15768	1.2
371.12628	4.2
372.13293	5.7
373.14151	1.5
374.14893	2.6
384.13425	2.0
385.14322	3.8
386.14999	13.3
387.15756	5.9
388.16760	1.6
392.15891	2.2
396.13397	2.3
400.17209	1.4
402.13879	2.3
402.18344	2.6
403.15884	1.4
404.15836	6.0
410.14975	2.2
414.14386	14.4
415.15262	22.4
416.16006	2.6
418.17493	3.6
420.15451	2.4
428.16122	5.7
430.17477	4.1
432.15491	13.6
433.15851	1.6
438.14908	3.8
444.15454	3.0
446.16971	3.6
456.15524	12.1
462.16486	7.8
474.16605	59.0
475.16714	1.8
488.18063	3.0
506.19131	16.1
567.26099	2.0
569.23901	4.9
583.25922	5.5
593.23956	9.3
611.24945	100.0
612.25336	6.3
625.26721	3.0
643.27344	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.96569	39.1
71.95275	1.1
72.96057	1.2
73.40543	0.9
79.05507	1.0
81.07091	1.2
84.96016	1.0
93.07034	1.3
95.08607	0.9
97.96846	3.9
98.23317	4.0
98.97609	1.4
110.96973	0.8
110.97562	4.3
115.00710	1.8
115.97830	1.7
119.01726	1.1
121.10119	0.9
121.94310	0.8
123.01212	1.5
128.98663	3.6
131.08620	0.8
137.02753	2.4
139.00706	2.0
141.02263	1.1
143.00185	1.0
143.98201	0.9
145.10164	1.1
146.99680	3.6
148.00493	1.0
153.02272	1.9
155.03815	1.7
157.01695	1.7
159.03310	1.5
160.00478	1.1
161.04805	1.2
167.03796	2.1
169.01767	1.5
171.03362	4.5
173.04900	1.5
175.02917	1.1
176.65010	0.9
177.05898	0.9
179.03896	0.9
181.05402	1.3
183.03345	1.4
183.07065	1.0
185.04851	8.9
187.02806	1.2
187.06548	1.1
189.04402	3.5
191.05931	1.0
191.07458	0.9
193.05431	1.2
195.07034	3.6
198.05655	1.2
199.02786	1.8
199.06454	10.9
201.04373	1.0
201.08017	1.8
202.05280	1.6
203.05904	6.4
205.07397	1.4
207.06929	3.0
209.04900	1.4
209.08569	1.0
211.06488	4.1
212.03543	1.1
213.04463	1.1
213.07986	14.6
216.06741	1.7
217.03853	1.1
217.07440	12.3
217.09248	1.0
221.08691	1.3
222.04449	0.8
222.08034	1.0
223.02783	1.0
223.10118	3.7
224.07237	1.2
225.08012	6.3
227.05969	1.7
227.09596	3.4
229.07527	5.0
231.06958	1.4
231.09030	13.1
235.06427	1.1
236.09604	1.6
237.04303	1.7
237.07983	4.6
239.09602	6.2
241.07487	1.9
241.11116	34.3
242.08325	4.8
242.11557	1.8
243.09021	5.0
245.07037	1.0
245.10812	2.9
247.08665	2.6
249.07993	2.2
251.09570	8.4
253.11234	2.4
255.09041	26.6
257.10739	3.1
259.12189	29.4
259.14798	1.6
260.09482	2.3
260.12439	1.4
261.10190	1.4
264.12827	3.3
265.10223	1.0
267.06180	1.2
267.09045	26.1
269.10602	42.9
270.11050	1.0
271.12271	1.2
273.10089	10.3
278.10724	2.7
279.09106	3.1
280.09863	2.6
281.10797	1.7
282.13940	1.9
285.10107	27.4
287.11682	13.1
288.30386	0.9
290.10736	2.7
292.12134	4.5
297.09964	5.1
298.10825	5.1
299.11636	1.5
303.11328	3.2
305.18018	1.2
307.15842	2.3
308.11847	3.7
309.17520	1.2
315.16443	1.4
316.12039	3.7
321.17471	1.3
331.15762	13.3
333.17380	13.2
335.04190	1.0
337.16815	1.0
349.16855	71.6
350.17218	4.2
351.18423	45.9
351.22800	1.3
352.18845	1.1
367.17938	89.7
368.18243	4.9
369.19501	59.7
370.20102	2.0
372.18683	3.0
374.20117	3.2
385.18979	4.7
387.20547	2.6
390.19516	17.6
392.21106	11.5
393.20374	1.0
424.20010	1.1
561.30902	5.0
643.38776	3.7
661.39874	100.0
662.40436	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.4
58.06990	0.8
59.04982	0.8
61.02913	1.3
67.39640	0.7
69.03426	9.7
69.42229	3.7
70.04922	0.9
71.01317	0.8
73.02910	10.4
82.95258	0.8
83.04979	0.9
85.02905	6.9
87.04462	7.5
88.73092	0.8
91.05511	0.7
94.95187	0.8
97.02892	14.6
111.04446	2.0
115.03922	8.8
133.04964	6.0
139.03883	2.1
157.04933	1.1
170.19200	0.8
172.03983	0.9
204.06577	1.2
211.05951	1.2
221.85013	0.8
229.07095	1.1
234.06741	1.5
235.07516	1.3
244.05090	0.9
247.07506	1.6
248.08441	0.9
249.09068	1.8
257.35370	1.0
257.64865	0.9
263.06979	2.7
264.07791	1.3
276.07986	0.9
277.08554	9.6
278.09439	1.4
279.10175	2.3
291.06473	2.0
292.07434	0.9
303.13300	1.2
304.07309	1.0
305.08011	10.8
307.09467	1.9
316.21411	1.2
319.05948	2.5
323.09079	2.2
333.07532	11.4
334.08102	1.0
335.09036	2.3
337.10721	7.9
351.08618	6.8
363.08594	13.5
381.09659	100.0
382.09900	5.3
394.82715	0.9
412.96304	0.9
495.12512	2.0
513.14313	4.1
612.25006	2.1
662.28436	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
56.96512	30.3
56.96822	2.0
67.05450	0.6
71.08537	0.5
71.47006	0.4
71.95222	0.9
72.95997	0.9
73.38715	0.5
74.97566	0.8
79.05455	0.6
81.06994	0.6
93.33235	0.4
95.08545	0.5
97.96757	0.9
105.00102	1.1
105.06963	0.9
107.08549	0.6
107.26929	0.5
109.06455	0.7
110.97524	1.8
115.00633	1.6
119.08521	1.0
123.01124	1.8
127.00572	1.0
128.98529	2.0
133.01659	0.8
137.02679	1.7
139.00597	1.2
141.02193	1.1
146.99586	1.1
151.00639	0.9
153.02246	2.2
155.03711	1.7
157.01671	0.8
159.03200	1.3
161.01180	0.5
161.04773	0.7
163.03879	0.6
165.02202	0.5
167.03752	2.1
169.01627	1.0
169.05331	0.9
171.03255	4.5
173.04781	1.5
175.02739	0.7
179.07541	0.5
181.05267	1.9
181.97392	0.5
183.03255	0.6
183.06873	0.7
185.03369	0.7
185.04860	6.6
187.06314	1.1
189.04263	2.5
189.07889	0.7
191.05823	1.2
193.05342	1.0
195.06874	1.4
197.04750	0.7
197.08441	0.7
199.06401	12.6
199.10118	0.7
201.04347	0.9
201.07964	0.9
203.05864	6.3
203.07515	0.7
207.06905	1.8
209.04811	0.7
209.08458	1.1
211.06364	5.1
213.07967	10.6
215.05772	0.7
215.09480	1.0
217.05446	1.0
217.07436	12.0
219.06847	0.9
221.08504	1.1
222.07869	1.1
223.10178	1.0
225.07947	6.8
225.11543	0.6
227.09436	2.7
229.07428	4.0
230.34906	0.5
231.06886	1.4
231.08977	8.9
233.08385	0.7
236.09500	0.5
237.07913	5.6
239.09512	4.2
241.11102	4.5
243.09045	4.3
245.10629	3.3
247.08517	0.7
249.07886	4.7
251.09494	9.9
252.09776	0.5
253.10957	1.3
255.09018	31.5
256.09332	0.9
257.10580	3.0
259.12201	2.4
267.09012	31.6
268.09543	0.9
269.10580	51.2
270.10831	1.7
273.10059	12.8
275.20071	0.5
278.10629	3.1
281.10571	1.2
285.10071	35.8
286.10336	0.8
287.11642	14.7
290.10593	2.3
291.16412	0.7
291.19562	0.7
292.12167	4.8
295.12238	0.6
295.15771	1.0
296.11563	0.8
303.11172	3.8
305.17743	0.8
308.11530	2.9
309.17194	1.1
310.13004	0.6
315.16415	2.3
323.19022	0.7
326.12787	0.5
331.15732	0.6
333.17349	17.4
334.17654	0.6
335.18488	0.6
349.16971	1.7
350.17078	0.9
351.18378	68.6
352.18823	2.8
353.19675	2.1
367.17874	1.9
368.18149	1.2
369.19446	100.0
370.19843	4.6
371.20508	1.0
374.20007	5.0
387.20596	4.1
392.21014	16.0
393.21225	1.2
419.22253	1.1
426.21649	0.7
437.23349	1.2
450.79211	0.5
545.30914	0.8
563.32288	5.2
590.81903	0.6
645.40356	2.7
663.41296	60.9
664.41992	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01850	0.2
69.03405	0.4
73.02886	0.2
79.05479	0.2
81.03391	0.6
85.02876	0.5
92.22859	0.1
97.02884	0.2
103.62297	0.1
105.01855	0.2
109.02852	0.3
117.01711	0.1
127.03894	0.4
129.06932	0.4
135.03456	0.3
135.04408	3.5
135.05432	0.1
145.10042	0.2
149.02307	1.0
157.06493	0.2
160.11049	0.2
166.12343	0.2
171.04427	0.3
173.05951	0.5
176.06242	0.3
177.07028	0.5
179.06726	0.1
179.08488	0.3
185.05948	0.8
187.05408	0.2
187.07556	0.2
189.06958	3.4
190.07652	0.4
191.08495	0.5
193.06496	0.2
199.03854	1.2
201.05437	0.2
202.49953	0.2
203.08574	0.9
204.08835	0.2
205.04723	0.2
205.06483	3.1
206.06966	0.3
207.08028	0.2
209.05969	1.4
215.05037	0.2
215.06920	0.3
217.06465	3.9
218.07072	0.5
219.04469	0.2
219.08009	1.2
221.05992	0.2
227.03371	6.9
227.05615	0.3
228.03581	0.3
231.06316	0.5
231.08369	0.9
232.05179	0.3
233.05940	3.0
234.06541	0.4
235.07516	3.4
236.08110	0.2
237.05415	3.8
243.04550	0.2
245.06006	3.2
246.06721	3.8
247.07523	7.0
248.08105	0.4
249.05472	0.8
259.05920	4.0
261.05441	8.1
261.08969	0.7
262.06247	2.7
263.07001	5.2
264.07565	0.4
267.06497	4.5
268.06876	0.2
273.05429	2.6
274.06189	2.1
275.07001	14.6
276.07462	0.7
277.05197	0.2
277.08524	0.7
278.05640	0.2
289.04916	3.8
289.08560	2.1
290.05701	12.1
291.06451	4.9
292.06842	0.3
293.08066	3.7
294.08676	0.4
301.04929	2.7
302.05737	0.5
303.06485	56.4
304.07016	4.3
305.08038	7.1
306.05200	0.3
306.08466	0.5
317.04349	0.2
318.05197	13.2
319.05920	5.6
320.06479	0.5
321.07538	7.7
322.08231	0.7
331.02023	0.4
331.05972	7.5
332.06390	0.5
333.07529	9.5
334.07907	0.6
347.05219	0.8
348.06268	11.5
349.07022	14.9
350.07446	0.8
363.08585	100.0
364.08920	5.0
381.09656	18.5
382.09842	1.0
437.69574	0.1
611.47614	0.2
664.36865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01865	1.4
55.05503	1.2
57.03422	1.4
61.02919	1.9
65.03926	0.7
67.05507	1.3
69.03423	6.0
69.07060	3.7
70.06622	0.6
79.05486	2.5
81.03419	3.2
81.07056	1.7
81.26653	0.5
85.02902	19.5
86.09707	0.6
87.00813	0.6
87.04488	0.7
91.03979	0.9
91.05469	1.2
93.07044	1.7
95.04961	1.9
95.08597	1.7
97.02890	7.3
99.04463	1.3
100.11241	1.2
103.05466	3.8
104.33179	0.5
105.03383	1.0
105.07025	2.4
107.04943	1.2
107.08569	1.3
109.02856	2.2
109.10171	1.4
111.04430	1.0
115.05455	1.3
117.06953	0.6
119.08552	1.9
123.04418	12.8
124.07610	1.6
127.03919	4.6
129.06995	1.4
130.04170	0.7
131.04909	5.6
131.08513	0.8
133.10130	0.9
135.04402	40.5
136.04782	0.6
136.10777	0.5
137.02304	0.6
137.05954	1.0
137.09570	0.7
140.07057	5.5
143.04910	0.8
145.02898	0.7
145.04973	4.3
145.06465	2.2
145.10097	2.0
146.06024	0.8
146.10527	0.6
147.04405	1.6
147.11644	0.7
149.02432	1.0
149.05997	2.0
151.03809	0.9
157.06499	1.3
159.04387	12.1
159.11734	0.7
160.05202	5.5
160.07457	0.7
161.05989	4.6
161.13240	0.9
163.03888	7.3
163.06020	0.7
167.07069	2.1
168.13817	1.0
173.05981	3.9
174.05507	0.9
175.03928	1.1
175.07568	1.0
179.03427	0.7
181.04929	1.1
182.15456	0.9
185.05974	2.8
187.03889	2.8
187.07512	1.2
189.05428	1.6
189.06985	0.7
190.07773	1.1
191.07005	2.7
191.08566	7.3
201.05402	0.8
201.16389	2.0
202.07898	0.7
203.05122	1.1
203.07016	21.1
203.17868	0.9
204.06578	1.0
209.08040	0.7
210.14928	1.8
213.05412	1.0
214.08641	1.7
217.06590	0.6
218.07425	0.8
219.06090	0.9
219.08066	16.2
219.17540	0.9
220.08423	0.6
229.06502	2.3
231.06491	5.2
235.07507	1.0
237.09120	1.3
241.09731	1.0
243.11310	1.3
247.07526	17.8
248.08060	0.6
249.09026	3.0
255.11267	0.9
257.06052	1.3
259.07553	12.8
259.10785	7.7
262.06223	0.9
263.07092	1.1
265.08591	2.4
269.09109	0.8
271.10974	0.7
275.07025	5.4
276.07599	1.3
277.08569	15.9
278.08914	0.7
283.10745	1.6
285.12411	3.7
287.06992	5.7
287.10281	1.9
293.08414	0.9
295.09622	1.1
297.12299	0.8
301.11880	5.3
303.13297	2.5
305.08051	69.2
306.08429	2.0
313.11838	4.2
319.12881	9.2
323.09106	31.1
324.09460	0.9
331.12830	1.8
337.13901	2.5
341.10178	100.0
342.10583	3.4
345.14517	1.0
414.14120	0.7
415.15170	0.7
416.15857	1.5
417.15289	0.7
428.16531	0.7
474.16684	0.8
573.24084	0.7
597.23248	1.9
615.24384	14.3
647.26581	1.7
665.49243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88017	0.5
57.54688	0.5
67.05499	1.4
69.07064	2.7
79.05499	1.2
80.05001	0.6
81.03438	0.6
91.05494	0.6
94.06557	5.7
95.04986	1.0
99.64909	0.5
105.07047	0.8
108.08144	2.1
109.10172	0.8
110.06055	1.4
112.07613	1.1
116.04971	1.0
118.98633	0.7
119.08603	0.9
119.91185	0.5
120.08142	0.7
122.06029	17.2
123.04436	0.7
124.07578	1.1
134.05994	0.9
135.04514	0.6
137.05962	0.6
140.07059	28.0
144.04498	1.6
145.05197	0.8
145.10098	0.8
146.06010	10.2
148.07562	2.6
152.07072	1.0
160.07617	1.3
162.05495	1.6
163.06311	0.9
166.08693	1.3
170.09694	0.8
172.03926	10.7
173.04712	2.3
174.05508	14.6
176.07088	7.6
190.04962	3.6
191.05782	1.7
192.06567	1.4
197.10815	1.0
198.09285	0.6
199.08705	1.7
201.10316	1.1
201.16399	0.8
204.06557	17.3
205.06837	0.5
206.08157	5.7
211.08672	1.1
212.09384	1.0
213.10278	1.6
215.11810	2.3
221.10678	0.6
223.08777	0.7
225.10118	3.1
226.08803	1.2
226.10982	1.3
227.11864	1.0
229.09749	1.0
236.09537	0.7
237.10278	1.9
238.11053	1.1
239.08339	1.0
239.11899	1.7
241.09761	2.4
243.11279	11.8
249.10318	2.3
250.10936	1.2
251.08257	0.9
251.11806	1.8
252.08862	0.7
253.09776	0.9
255.11353	1.7
256.12125	1.3
257.09308	1.2
257.12619	1.0
259.10864	1.1
261.12326	1.6
263.08255	1.8
263.11844	1.2
264.09000	1.8
265.09723	4.0
266.10458	0.7
267.11340	2.3
269.09302	2.1
270.09903	0.8
271.10834	2.2
277.09729	1.9
279.11221	1.0
280.12112	1.1
281.09302	1.7
281.12518	0.6
283.10751	4.9
284.11386	1.6
285.09183	0.8
285.12308	19.6
285.15372	1.0
286.12918	1.0
287.10400	3.2
287.14005	2.6
296.11523	0.8
297.12454	0.8
298.13202	1.0
299.10339	2.6
299.13776	1.3
300.11935	0.8
301.07150	1.6
301.12009	2.0
302.12863	0.8
303.13382	22.8
304.14249	1.3
305.09277	0.8
306.41568	0.6
309.12021	1.1
312.15021	0.7
313.11807	34.2
314.12451	1.9
314.16269	0.7
315.14178	0.8
316.10904	1.3
316.14502	2.0
317.15491	1.2
318.12418	0.8
318.16028	2.4
319.16812	1.6
321.14557	1.8
323.10291	2.0
324.11032	1.4
325.11880	1.5
326.12979	0.8
328.14459	1.1
329.11646	1.8
330.12521	2.5
330.16074	1.3
331.12946	7.0
331.16577	0.9
332.13953	0.7
332.17621	0.9
340.14554	1.1
342.12445	1.2
343.13605	1.6
344.13910	3.7
345.14502	15.1
345.18512	0.9
346.15466	4.0
347.16299	2.7
354.12491	2.1
355.13495	0.9
356.14029	1.2
357.14841	1.7
358.11774	1.5
358.15576	2.8
359.16574	0.7
360.17221	2.4
363.15637	0.7
368.14142	1.3
369.14673	0.6
370.11755	1.2
370.15628	1.6
371.12769	2.1
371.16788	1.0
372.13300	6.0
373.14359	2.5
374.14914	4.2
376.16589	1.0
378.18164	0.6
381.10867	1.1
382.15631	1.1
383.12680	0.7
384.13071	1.1
384.17618	0.9
385.14438	1.7
386.14923	7.4
387.15909	6.5
388.16562	4.6
390.18356	0.7
396.13464	2.2
398.15112	1.6
399.16132	1.0
400.12445	0.8
400.17017	1.3
401.13275	0.8
402.14377	1.9
402.18445	1.7
403.15060	0.7
404.16058	2.7
405.17160	1.7
406.17499	4.0
412.17084	0.8
414.14536	10.4
415.15250	11.3
416.16055	16.9
417.16415	1.2
418.17654	1.8
428.16132	3.3
429.16901	2.2
430.17868	4.0
431.18710	0.8
432.15619	2.4
433.16489	3.9
434.17188	4.2
438.14371	1.9
446.17090	6.0
447.17886	2.6
456.15515	8.0
457.16229	2.1
458.16910	1.4
460.15155	0.8
474.16617	22.1
475.17239	8.6
476.18268	4.8
489.18835	1.2
506.19366	2.6
507.20267	1.4
571.25665	1.8
573.23505	2.4
597.23389	9.8
598.23590	0.7
615.24469	100.0
616.24683	8.8
629.25867	1.4
633.25665	2.5
647.27301	7.4
648.27466	0.9
665.30072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98248	0.4
67.05515	0.2
69.95917	0.7
69.96284	0.3
74.18065	0.2
77.96941	0.5
89.78468	0.2
91.90697	0.2
92.08630	0.2
98.22754	0.2
103.98524	0.4
116.99252	0.6
154.04631	0.2
157.05951	0.4
164.15907	0.2
213.08563	0.3
221.11519	0.3
227.10194	0.4
229.11719	0.4
243.09686	3.2
257.11258	7.8
258.11603	0.3
271.39908	0.2
273.10657	1.8
275.11044	1.2
291.10760	0.3
297.14426	0.5
333.20364	4.8
337.17450	0.5
355.18555	100.0
356.18906	2.9
373.18298	0.5
455.22269	0.3
469.24063	1.3
549.29980	0.2
567.31226	0.9
665.38806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.55362	0.3
59.82728	0.3
62.98255	2.1
67.05508	0.7
68.38313	0.3
69.07056	0.5
70.53030	0.6
71.27094	0.4
71.34264	0.4
73.73901	0.4
79.05518	0.8
81.03415	0.4
81.07066	0.9
83.08612	0.7
91.05481	0.8
93.07032	0.6
95.04954	1.1
95.08567	0.5
103.98508	0.9
105.07008	0.7
107.08604	0.5
109.10186	0.5
111.08115	0.4
116.99278	0.5
119.08564	0.5
121.10126	0.5
129.06920	0.4
133.10081	0.5
145.02328	0.4
149.09607	0.6
157.10088	0.4
163.11212	0.4
173.05519	0.9
187.07047	0.5
221.15298	0.4
223.13170	0.4
241.11954	0.4
257.11255	3.6
267.13321	1.1
269.11209	5.3
275.20135	1.0
285.10623	0.7
315.19089	1.9
333.20386	1.6
337.17444	9.6
346.62576	0.4
355.18539	100.0
356.18924	3.4
373.18274	5.0
395.65643	0.4
419.22672	0.6
437.23132	1.1
578.66388	0.4
629.36267	2.0
630.36493	0.6
647.37555	1.4
665.24933	0.6
665.36359	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05499	1.0
57.03432	5.3
59.04995	2.5
60.04528	1.4
67.05499	1.9
69.03427	37.6
69.03803	2.0
69.07067	2.4
70.73834	1.5
71.04979	2.4
77.03884	0.8
79.05493	5.6
81.03396	1.5
81.07050	2.7
83.04982	2.9
85.02909	15.4
87.04464	14.5
91.05465	5.1
93.07034	4.0
95.04971	3.6
95.08611	0.9
97.02894	18.5
97.06532	3.3
99.04475	4.0
103.05474	1.7
104.60210	0.8
105.07024	54.1
106.07427	1.0
107.04993	1.7
107.08594	2.7
108.50523	0.7
109.02847	1.1
109.06541	1.9
111.04509	0.9
115.03930	19.8
117.07006	5.4
119.08565	4.0
121.06480	6.7
121.10093	0.9
125.06005	2.8
127.03921	2.2
128.06215	1.7
129.06985	1.2
130.07771	2.8
131.08580	8.7
133.04964	16.9
133.06467	10.8
133.10104	7.8
141.06970	2.1
143.07025	2.8
143.08566	4.9
144.09335	2.4
145.04990	2.5
145.06450	5.2
145.10120	90.2
146.10471	1.0
147.08012	1.1
147.11710	1.0
149.05972	1.1
151.07562	1.3
154.07755	2.0
155.08557	3.1
157.10179	1.6
158.07251	7.6
159.08070	6.9
159.11690	33.7
161.09615	8.4
163.07452	1.3
163.11169	1.7
167.07100	2.0
169.10118	7.6
171.08073	1.1
171.11617	1.3
172.08847	3.2
173.09612	46.2
174.09975	1.0
179.08580	1.2
182.07231	1.5
187.11186	32.0
189.12706	4.2
191.10567	1.1
197.09566	4.9
205.12231	90.8
206.12563	2.3
215.10666	100.0
216.11014	2.4
233.11719	77.9
251.12756	3.7
257.35471	0.8
262.09875	0.9
309.13281	6.4
319.11658	10.1
337.12814	30.5
338.13342	1.1
355.13889	16.3
356.06210	0.9
499.18124	1.3
632.23535	0.9
652.33112	0.9
666.21594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	3.8
55.05500	2.3
57.03435	9.2
59.04979	2.0
60.04508	0.6
61.02911	0.8
61.65319	0.6
65.03932	0.9
67.05502	2.7
69.03426	38.5
69.07077	5.6
69.27829	2.5
69.28238	1.2
70.06574	1.0
71.04980	2.9
73.02893	1.7
74.51038	0.5
77.03954	0.5
79.05486	9.9
81.03416	2.6
81.07047	1.8
82.55489	0.5
83.04973	3.7
85.02904	23.4
87.04464	20.3
91.05471	8.4
93.07044	8.7
95.04977	4.2
95.08589	1.3
97.02888	27.8
97.06525	9.3
99.04450	5.4
103.05450	1.9
105.04482	0.9
105.07024	36.3
107.04943	6.2
107.08598	4.6
109.02887	0.7
109.06516	2.6
109.10136	0.6
111.04411	1.0
113.06086	0.6
115.03925	31.0
115.05431	1.9
117.07013	5.9
118.08647	2.0
119.04938	1.4
119.06024	1.2
119.08531	3.1
121.06503	32.1
122.02698	1.4
123.04447	0.8
125.05974	6.1
127.03910	3.9
128.06203	1.6
129.06979	2.5
129.60745	0.5
130.07738	3.7
131.04913	0.6
131.08548	8.2
133.04945	27.8
133.06479	26.0
133.07507	1.2
133.10155	2.9
135.04381	1.5
135.08029	2.0
137.05980	1.6
139.07516	0.8
141.06961	1.9
143.07040	7.0
143.08540	4.2
144.06618	0.8
144.09329	1.6
145.04945	2.3
145.06468	10.4
145.10117	45.1
146.07153	0.7
146.10431	0.8
147.08040	1.7
149.06013	0.8
150.07587	1.7
151.07536	1.6
153.07056	1.0
154.07724	2.5
155.08527	6.8
157.06441	0.6
157.10127	1.5
158.07260	15.2
158.08549	0.9
159.04298	0.7
159.08057	14.1
159.11679	17.1
160.08682	1.1
161.06012	0.8
161.09608	4.1
167.07063	0.7
167.08606	0.6
169.10130	7.4
171.08066	1.7
171.11656	1.2
172.08826	5.0
173.09610	100.0
174.09891	2.0
179.08514	3.6
180.08733	0.7
182.07259	1.5
187.07632	1.5
187.11169	43.9
189.08942	0.9
189.12746	0.9
191.10646	1.6
197.09595	12.7
205.12228	16.9
215.10660	74.8
216.10995	1.5
219.10030	0.5
233.11714	82.9
234.12065	1.8
248.13152	1.0
250.14648	0.8
251.12798	3.9
255.26501	0.5
259.08105	1.4
277.09042	0.8
281.75198	0.6
295.10214	0.7
302.93478	0.7
319.11725	4.2
337.12796	49.4
338.13120	1.8
355.13849	48.0
356.14172	0.8
402.17358	0.6
499.17780	2.3
503.92300	0.6
519.76630	0.6
685.77991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
53.94696	0.9
55.01872	5.2
55.05511	7.3
57.03429	4.0
57.07100	0.9
61.02933	2.9
65.03939	1.4
67.05506	17.3
68.99809	1.4
69.03431	17.6
69.07071	5.2
69.62199	1.9
69.62577	2.6
71.04984	2.5
73.02931	4.6
76.96886	1.1
79.05495	12.8
81.03420	18.9
81.03891	1.2
81.07057	45.3
81.70794	0.9
83.08614	2.1
85.02905	41.7
87.00834	17.0
91.03991	1.2
91.05476	14.7
93.07046	29.5
93.22437	0.9
95.04993	2.6
95.08611	51.4
96.08959	1.3
97.02896	21.6
98.23411	1.1
99.04456	8.4
105.01865	19.8
105.02528	1.5
105.04565	1.1
105.07034	47.6
106.07402	1.2
107.08594	47.3
109.02872	16.5
109.06548	1.2
109.10155	36.7
111.11716	1.2
117.01857	2.9
117.07020	1.4
119.08579	31.1
121.10141	14.7
122.26588	0.9
123.11700	9.4
127.03910	32.6
129.01842	2.4
131.08580	2.1
133.10130	21.9
135.11699	12.5
137.13268	1.4
143.10979	0.9
145.04965	16.2
145.10150	2.9
146.10898	0.9
147.02919	1.3
147.11685	44.0
147.77798	0.8
149.13283	2.7
159.02914	9.3
159.11737	1.6
161.13257	16.4
163.14844	8.4
164.32635	0.9
175.14821	7.1
176.15025	1.0
180.90332	0.9
189.03966	1.3
196.33524	0.9
203.17952	100.0
204.18283	2.8
205.19547	2.0
213.03883	1.6
219.17422	1.0
221.18999	5.2
230.63919	0.9
231.05026	9.2
249.03905	0.9
249.06084	6.0
297.89124	0.8
311.20300	1.2
322.33432	0.9
326.51883	1.0
326.89862	0.9
395.56992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01875	5.7
55.05513	9.2
57.03436	6.2
59.05005	1.5
61.02931	7.4
62.93798	1.1
65.03951	2.6
67.05499	26.2
68.99811	2.3
69.03428	32.5
69.07069	9.7
70.03733	1.3
70.06603	1.6
71.05003	4.4
71.46389	1.6
72.45006	1.2
73.02931	5.6
74.45615	1.1
79.05491	20.0
81.03416	20.7
81.07056	53.5
83.04987	1.8
83.08634	3.1
85.02903	100.0
86.03249	1.3
87.00826	39.7
91.03953	1.8
91.05477	23.5
93.07046	40.2
95.04971	5.9
95.08604	69.1
96.08907	1.5
97.02892	34.3
97.06552	1.5
97.10175	1.5
99.04444	11.3
103.03960	1.8
103.05472	1.8
105.01868	62.2
105.04515	1.9
105.07030	59.6
107.08589	56.2
109.02872	30.0
109.06519	1.8
109.10152	63.4
111.04433	1.8
111.11743	1.8
115.03945	3.0
116.07181	1.6
119.06098	1.5
119.08575	44.1
119.09412	2.4
121.10137	22.7
123.08092	1.4
123.11727	11.3
127.03912	72.3
128.04332	1.2
129.01869	4.3
131.08585	3.5
133.10132	26.6
135.07996	1.4
135.11696	13.3
136.06218	3.1
145.04958	32.8
145.10161	3.0
147.02893	3.4
147.11684	48.0
149.13300	3.3
159.02879	14.5
159.08148	1.6
159.11717	2.2
161.13263	16.9
163.14816	3.4
175.14799	7.1
189.03931	3.8
201.16389	2.0
203.17947	96.8
204.18231	1.9
213.03885	6.5
221.19000	7.5
231.04993	29.6
249.06073	13.3
253.07188	1.7
292.32410	1.3
311.16534	1.3
324.21503	1.2
378.93079	1.5
393.62070	1.5
493.97501	1.4
623.11548	4.2
666.38354	4.1
667.09973	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.8
53.03947	6.6
54.81789	1.6
55.01870	11.1
55.05509	15.1
57.03439	3.6
57.07064	4.0
61.02920	5.2
63.73425	1.4
65.03949	2.9
67.05504	33.3
69.03423	17.0
69.07066	25.3
69.29202	8.7
70.06578	2.0
71.04983	5.2
73.02917	3.1
73.94482	1.3
74.20187	1.5
79.05489	21.5
81.03417	15.4
81.07053	62.3
83.04967	2.9
83.08618	12.1
85.02901	54.2
85.06538	18.0
86.03232	4.0
86.09729	1.6
87.00822	13.9
91.05473	25.2
93.07040	81.2
95.04954	7.6
95.08601	65.1
95.09215	3.0
96.08967	2.1
97.02886	22.3
97.06540	2.5
97.10202	3.3
97.53465	1.3
99.04446	7.7
100.11261	2.1
103.05476	4.9
105.01867	15.6
105.04532	3.4
105.07024	68.9
106.07377	2.7
107.04927	1.6
107.08589	59.4
109.02844	13.5
109.06574	3.6
109.10150	90.7
111.04437	2.5
111.08084	11.3
115.05494	2.0
117.07034	6.0
119.04861	1.7
119.08574	68.6
121.09267	2.1
121.10139	42.4
121.10975	2.7
123.04416	13.2
123.11697	19.6
124.04761	4.9
125.09613	5.2
127.03916	23.3
129.07001	3.8
129.93835	1.3
131.04929	5.4
131.08560	4.6
133.10117	40.1
135.04417	37.7
135.05463	2.3
135.07953	1.7
135.11684	48.9
136.04720	13.8
137.05984	1.7
137.09612	1.7
139.11195	2.1
140.07048	4.4
145.04968	12.8
145.06520	2.7
145.10101	8.7
146.05301	1.7
147.04445	1.6
147.11679	66.5
149.13277	4.0
151.03900	1.9
151.11217	1.4
157.06493	1.9
157.10136	1.9
159.02884	5.7
159.04430	11.0
159.11696	3.7
160.04950	7.0
161.05823	4.6
161.13255	21.6
163.03928	9.8
163.14874	3.8
164.04301	2.6
165.12740	4.3
167.07108	3.6
173.05994	3.5
174.06357	1.5
175.14758	9.4
177.12862	1.5
177.16376	1.8
182.15448	2.4
185.05998	4.6
186.06435	2.2
187.03946	2.1
187.07306	1.5
189.03894	2.1
190.07751	2.0
191.07016	1.8
191.08553	6.1
192.08900	6.1
201.16446	5.6
203.06996	16.0
203.17941	100.0
204.07309	8.0
204.18376	2.2
210.14870	2.4
214.05937	1.4
215.10626	1.8
219.07982	15.2
220.08350	9.5
221.19009	13.1
229.06424	1.9
231.05000	4.6
232.06795	2.3
247.07524	10.5
248.07890	13.6
249.06131	4.1
250.09465	2.4
259.07532	9.0
259.10443	2.3
260.07947	11.6
275.06900	3.5
276.07382	5.3
277.08551	9.2
278.08911	10.0
285.12427	1.8
287.06943	2.3
288.07449	4.0
296.09793	1.6
301.12140	2.2
305.08054	37.5
306.08392	56.1
306.11987	2.6
307.08789	2.1
319.12881	2.4
320.13184	2.8
323.09140	13.9
324.09454	23.2
341.10172	47.7
342.10513	65.9
343.10791	3.0
412.90244	1.5
451.22992	2.1
488.15820	3.5
608.21399	3.1
616.24524	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01871	8.8
55.05513	20.7
57.03428	2.5
65.03931	3.2
67.05506	30.9
67.05866	1.7
69.03441	2.7
69.07069	21.8
69.23746	8.2
71.05003	5.6
77.03932	1.1
79.05497	41.4
81.03427	5.9
81.07059	54.9
83.05001	7.6
83.08628	12.2
85.02906	39.6
85.06557	4.9
91.05485	37.2
93.07045	29.4
94.51055	1.3
94.59666	1.3
95.04961	11.1
95.08603	19.6
97.06538	5.5
97.10170	9.7
99.08054	1.7
103.05457	1.7
105.07025	27.8
107.04951	13.8
107.08598	18.6
109.02905	4.0
109.06528	14.0
109.10165	7.4
111.04460	3.8
111.08086	4.6
117.07020	16.5
119.08573	27.2
121.06489	8.2
121.10132	9.6
123.04442	3.0
123.08058	12.2
123.11736	2.0
125.05996	2.7
125.09628	9.2
128.06216	3.7
129.07016	8.4
130.07774	1.5
131.08577	19.3
133.06520	4.8
133.10129	18.3
135.04468	1.5
135.08069	12.3
135.11679	10.5
137.05945	1.8
137.09634	6.1
141.06921	1.8
142.07840	1.9
143.07530	1.3
143.08513	7.0
145.06482	4.5
145.10126	16.4
147.08035	7.1
147.09883	1.4
147.11674	8.5
149.09624	14.9
149.13281	3.2
151.07567	4.8
151.11195	5.3
153.09113	2.1
153.12733	3.9
155.08543	3.9
157.10159	6.1
159.08083	5.2
159.11722	11.6
161.09613	13.9
161.13286	4.5
163.07585	7.8
163.11176	12.0
165.09177	3.2
169.10080	2.9
169.12218	1.8
171.11726	3.1
173.09654	4.4
173.13318	4.9
175.11200	3.8
177.12770	4.7
179.10704	5.7
179.14359	1.9
181.12257	5.0
183.11667	3.7
185.13284	3.3
187.11235	3.3
189.09094	2.2
189.11240	6.2
189.12784	2.1
191.10634	2.8
193.12245	17.6
195.10239	1.7
195.13853	2.6
197.13304	1.6
199.14864	1.3
201.12804	2.2
205.12309	2.3
207.10193	2.8
215.14447	1.8
221.11803	5.6
223.13333	1.5
225.16515	1.8
227.12814	4.5
229.19537	2.4
235.13298	1.9
239.17947	3.9
243.17458	2.0
247.13292	1.5
257.18985	14.9
261.18585	4.8
271.16968	11.1
273.18546	2.3
275.17078	2.6
275.20071	45.5
289.17981	100.0
290.18372	2.4
291.19604	6.9
293.21219	5.3
298.12021	1.5
303.19614	3.1
307.19061	27.1
321.20596	65.5
339.21716	5.0
346.70648	1.5
465.29764	1.7
467.31570	1.5
483.31079	3.7
501.32263	2.8
515.33490	2.5
545.36127	1.7
559.56549	1.6
563.37067	4.4
581.38214	5.7
613.40558	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.6
69.03394	1.0
73.02879	0.8
76.32623	0.5
76.49975	0.4
81.07002	1.3
85.02864	1.1
91.05426	0.9
93.06994	0.7
95.08576	1.2
105.01788	0.6
105.06958	0.7
107.08573	0.9
119.07036	0.6
119.08487	0.8
121.10085	0.5
131.08467	0.5
136.34149	0.5
137.05922	0.6
145.10063	0.7
149.09535	0.6
155.03101	1.2
167.38335	0.5
269.06323	1.0
287.07370	7.4
329.13528	0.5
371.13367	0.5
403.07864	62.8
404.08124	3.1
421.09006	0.7
444.10480	1.4
504.33810	0.6
623.11206	0.6
666.38800	4.4
667.16260	100.0
668.16345	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.6
69.03394	1.0
73.02879	0.8
76.32623	0.5
76.49975	0.4
81.07002	1.3
85.02864	1.1
91.05426	0.9
93.06994	0.7
95.08576	1.2
105.01788	0.6
105.06958	0.7
107.08573	0.9
119.07036	0.6
119.08487	0.8
121.10085	0.5
131.08467	0.5
136.34149	0.5
137.05922	0.6
145.10063	0.7
149.09535	0.6
155.03101	1.2
167.38335	0.5
269.06323	1.0
287.07370	7.4
329.13528	0.5
371.13367	0.5
403.07864	62.8
404.08124	3.1
421.09006	0.7
444.10480	1.4
504.33810	0.6
623.11206	0.6
666.38800	4.4
667.16260	100.0
668.16345	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05466	0.5
86.92208	0.4
91.88602	0.4
92.62160	0.4
105.16241	0.3
118.06532	0.5
125.31918	0.4
144.08105	0.4
157.80380	0.4
159.11646	0.4
174.79999	0.4
182.09729	0.4
195.09087	0.6
197.10710	0.7
208.09834	0.6
209.10811	0.8
210.11354	0.6
211.12222	0.7
221.10692	0.7
223.12297	0.9
235.08835	0.5
237.10312	0.8
239.11952	0.5
249.10243	1.7
261.10226	0.7
263.11752	0.5
281.12842	0.8
282.13617	0.5
285.12698	0.4
298.13370	0.8
314.80884	0.4
324.14984	0.7
325.11896	0.7
326.12811	1.2
336.14948	0.8
337.12073	0.4
338.12833	1.3
339.13556	0.7
340.14337	1.1
348.15063	0.8
352.14597	0.9
353.11487	1.0
353.15375	0.5
354.12299	1.2
354.16064	0.9
356.13855	0.6
362.16031	0.7
366.08508	0.6
366.12488	1.4
367.13138	0.5
368.13934	1.7
370.15665	0.5
371.13199	1.0
372.13501	0.7
373.14368	0.5
374.16367	0.7
375.16168	1.5
376.17441	1.8
377.17703	1.8
380.13922	1.5
381.10800	0.8
385.14236	1.8
386.15128	0.8
387.16135	0.6
388.16577	1.4
389.17783	2.7
390.18460	3.4
391.19226	8.2
392.10318	0.6
392.19885	0.6
396.13446	1.7
397.13895	0.7
398.10632	0.5
398.15305	2.0
399.15771	1.3
400.16812	1.1
401.17554	1.3
402.14352	0.5
402.18951	0.7
403.14905	0.8
403.19839	2.2
404.20401	2.4
405.20856	8.3
406.21545	3.6
407.22156	1.0
410.10989	0.9
410.19147	0.9
412.16953	0.6
413.18042	0.9
414.18030	1.3
415.14877	0.8
415.19461	1.1
416.20602	0.8
417.16568	1.3
417.20917	1.8
418.17401	0.9
418.21887	0.8
419.17404	0.6
419.22849	5.2
420.22913	1.4
421.16605	0.7
422.14645	0.6
425.13812	0.7
426.14230	0.6
428.15601	3.1
429.16599	1.1
429.21625	0.5
430.18082	0.7
431.18719	1.4
432.19650	0.8
433.19806	5.2
434.21024	0.8
435.17752	4.5
436.18903	0.9
440.15851	0.9
443.18799	0.6
445.21057	2.3
446.21265	0.6
447.22229	4.8
448.18622	0.6
449.19632	4.8
450.20728	2.1
451.21255	1.2
457.16736	1.2
458.17557	1.4
459.17947	1.5
459.22910	0.6
460.17484	0.5
460.23032	1.0
461.18835	5.8
462.19107	0.7
462.24307	1.6
463.21600	5.4
464.22070	2.3
465.16879	0.8
465.22983	9.8
466.22876	0.5
471.18137	0.8
472.18903	1.1
473.20004	4.5
474.20319	1.3
475.21207	1.7
476.21606	0.5
477.18338	0.9
477.23019	2.2
478.23584	1.7
479.20651	4.8
485.19873	0.5
487.22467	3.6
488.18198	2.0
488.23264	0.8
489.18930	3.4
491.20212	2.1
492.21216	0.9
493.22168	38.2
494.22662	3.4
497.19839	1.1
498.20245	0.9
499.17758	0.6
500.18195	1.8
501.19104	5.8
502.20004	1.7
503.21066	0.6
504.21753	0.5
505.18707	4.1
505.22354	2.8
506.23221	1.3
507.24432	2.2
514.20184	0.9
515.21021	8.3
516.21649	5.0
517.21716	1.4
519.24579	3.1
520.24408	1.1
521.25616	13.2
522.25757	1.2
523.23328	1.3
525.19562	0.5
529.19971	0.5
531.24042	1.1
532.21124	1.2
533.22058	4.7
534.22925	0.6
537.25098	4.2
543.20178	1.3
545.18274	0.5
546.21869	0.6
547.23370	7.7
548.24451	2.3
549.21515	0.6
551.27094	12.5
552.27252	3.0
553.24933	0.6
557.21558	1.0
559.19482	1.1
561.20813	2.0
564.24048	0.7
565.24493	29.9
566.24713	2.4
574.21619	0.9
575.22845	11.1
576.23517	2.0
577.21777	0.9
579.26007	18.2
580.26813	76.9
581.27094	5.3
589.24481	3.9
590.24854	0.6
592.23157	1.3
593.24390	0.5
603.22290	0.8
607.25494	40.3
608.25781	3.6
617.24170	2.0
621.26910	0.6
635.25018	31.3
636.25250	2.9
639.28107	7.6
640.28271	0.9
649.26556	22.9
650.27106	1.6
667.27631	100.0
668.27869	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.4
67.72459	1.2
67.95868	1.2
69.12775	4.2
69.13181	3.4
79.05488	3.7
81.07078	6.4
91.05473	2.4
93.07043	2.2
95.08575	1.6
105.06994	1.4
107.08599	2.3
114.90594	1.2
117.06952	1.7
119.08588	1.4
121.06475	1.4
132.08069	1.4
133.10040	1.2
146.06046	1.4
161.09717	1.4
171.68633	1.2
207.09221	1.3
220.09805	2.6
237.10399	1.8
249.10222	2.6
263.11938	2.3
272.22464	1.3
289.17926	2.0
291.19382	2.6
296.11880	1.3
307.18985	2.2
313.12045	1.7
314.12738	1.6
321.20651	1.3
326.12894	1.8
327.13831	1.8
328.14505	3.1
356.13980	1.8
372.13251	3.6
396.13428	2.2
399.16110	1.7
401.17599	2.4
413.17560	3.9
414.18735	2.4
415.14871	2.0
416.15921	1.8
417.21048	2.5
427.19040	2.3
428.15646	3.2
429.16342	2.3
458.17136	1.8
459.22208	2.7
473.19547	1.9
487.21631	8.3
500.18048	1.9
501.19275	4.0
515.20923	11.7
516.21558	3.1
529.18719	2.4
531.23474	4.3
543.20093	3.1
547.23456	8.3
561.21136	4.5
575.22858	31.9
576.22784	4.9
579.25647	4.1
603.22400	26.0
604.21375	1.6
617.01837	1.4
621.23499	3.4
635.25006	100.0
636.25458	10.5
667.27289	4.7
667.38074	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
54.78549	1.9
55.05504	10.6
57.03420	3.7
57.07062	5.5
58.06059	1.9
59.05008	4.1
67.05511	9.7
69.03423	17.8
69.07069	15.1
69.59736	8.2
70.06579	2.2
71.04984	16.9
73.02883	1.8
79.05499	19.3
81.03413	6.4
81.07056	85.8
82.73022	1.9
83.08612	6.3
85.02901	30.0
87.00838	10.7
87.04449	2.5
88.80239	1.8
91.05471	15.6
93.07050	37.4
94.07414	2.2
95.04956	3.9
95.08605	40.3
97.02892	13.1
97.06506	4.4
97.10191	3.6
99.04472	2.7
99.08098	3.4
105.01861	21.9
105.07029	49.4
106.07359	4.6
107.08588	56.0
108.08965	1.9
109.02886	8.6
109.10156	44.2
111.04446	2.1
111.08029	2.4
115.03918	6.1
117.07012	5.4
119.08583	77.2
121.06503	2.7
121.10161	13.9
123.11704	19.9
125.09608	7.7
127.03880	16.2
127.11198	30.3
129.07005	2.3
131.08554	4.9
133.04955	3.4
133.10135	38.2
134.06790	2.3
135.11693	92.8
137.06000	5.6
137.13260	5.7
143.08559	2.7
143.10670	29.8
145.04973	5.7
145.10124	19.0
146.10474	6.3
147.11678	23.1
149.13257	12.6
151.11197	3.4
153.12729	4.1
157.10133	2.2
159.11705	8.6
160.12115	2.9
161.06047	2.2
161.13240	13.6
163.14890	4.6
169.10091	2.9
173.09627	7.8
174.09946	5.7
175.14861	2.5
177.16330	2.3
181.20338	2.0
187.11220	5.7
191.07031	2.1
192.76294	2.2
193.19511	2.7
203.17947	75.7
205.12244	12.0
205.19525	2.3
206.12604	8.7
209.52046	2.0
215.10747	9.3
216.11052	12.0
221.18997	100.0
222.19405	3.5
231.05006	7.3
233.11685	10.0
234.12102	8.5
239.20088	5.9
249.06113	6.7
251.12636	3.5
263.20065	1.9
271.05582	2.4
286.04770	5.4
301.07037	12.2
311.20264	2.5
320.12808	3.0
329.21136	2.4
338.13159	3.6
355.13962	2.8
364.23431	2.1
369.82761	2.4
492.14685	2.2
499.44122	2.2
577.86761	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01867	4.3
55.05506	11.6
57.03441	5.8
57.07073	5.8
61.02921	4.6
65.03936	1.3
67.05499	26.5
68.99815	1.3
69.03427	24.0
69.03799	1.3
69.07063	22.3
70.06590	4.2
71.04997	3.6
71.46266	1.2
73.02898	3.0
74.06104	1.4
79.05486	13.0
81.03423	10.6
81.07056	100.0
83.05027	2.1
83.08623	10.4
85.02904	64.9
85.06541	27.4
86.09711	6.7
87.00836	18.8
87.04474	3.9
91.05479	5.8
93.07043	22.4
95.04964	5.8
95.08604	73.1
96.08919	1.4
97.02893	26.5
97.03493	2.0
97.06516	1.3
97.10165	6.0
99.04453	7.2
99.08092	22.2
103.03915	1.3
105.01867	40.5
105.07024	8.3
107.08596	23.1
109.02866	14.4
109.06516	1.4
109.10156	48.1
111.04440	2.0
111.11710	6.0
112.08790	1.0
113.09654	8.8
115.03903	5.2
115.05479	1.4
117.07008	1.9
119.08564	5.6
121.10145	17.4
123.11710	34.8
125.09573	2.9
125.13277	1.8
126.05576	1.1
127.03913	36.1
127.11176	3.2
129.07039	2.2
131.08554	3.5
133.04948	4.5
133.10127	1.8
135.04430	5.5
135.08031	1.4
135.11694	20.9
137.05980	10.2
137.13261	8.3
138.06384	1.2
141.07014	1.1
143.04913	1.5
143.08560	2.4
145.04955	14.8
145.06177	1.4
145.06392	1.1
145.10074	5.0
147.11714	2.9
149.13245	33.7
151.07584	2.2
151.14735	1.1
157.10101	1.6
159.02910	4.3
159.11711	4.0
161.06029	2.1
161.13292	1.8
163.14803	6.3
165.16359	1.7
173.05986	8.7
173.13217	1.3
175.07533	5.3
177.12767	1.2
183.06653	1.2
183.11763	1.6
185.05988	3.2
185.13174	2.0
187.07451	2.1
203.07030	1.9
203.17923	1.8
205.08650	1.9
205.12195	1.2
205.19508	35.0
207.06288	1.1
213.03906	2.4
217.19502	1.4
223.20561	47.7
224.20886	1.6
231.04996	16.0
233.08095	8.3
235.09651	2.4
235.20572	2.7
247.20558	1.8
249.06052	16.1
253.16588	1.1
253.19713	1.1
284.09799	2.8
289.21625	1.9
313.21579	3.2
321.11206	1.4
323.12646	1.2
331.22641	3.8
339.12192	2.7
349.23764	4.1
385.25967	2.1
402.28500	2.2
425.94034	1.1
618.56177	1.1
668.36230	1.1
668.44690	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77948	0.5
62.44977	0.5
67.05520	1.0
69.96975	1.0
69.97302	0.9
79.05511	0.8
81.03458	0.6
81.07079	0.5
86.09724	0.5
91.05456	0.6
91.23587	0.4
95.49172	0.4
98.22698	0.4
99.92419	0.4
109.10179	0.6
135.04419	2.7
142.83882	0.5
177.06937	0.7
185.04324	0.5
185.06009	1.1
189.07043	1.8
199.03935	1.4
203.05301	1.7
205.06488	2.4
209.06013	2.1
209.12437	0.5
217.06502	2.2
227.03374	4.9
227.05313	0.9
231.06461	0.8
233.06023	3.1
235.07541	3.0
237.05458	5.8
245.06230	10.2
246.06734	3.6
247.07607	3.0
259.06143	1.6
261.05457	4.4
261.09003	0.6
262.06360	0.9
263.07028	6.0
267.06479	5.2
271.04263	1.2
273.05576	2.1
274.06268	2.1
275.06970	4.9
279.71506	0.5
287.03784	1.7
289.05286	56.0
290.05716	2.4
291.06470	3.8
293.07974	3.6
301.05060	2.0
303.06509	41.4
304.07034	3.2
305.08014	4.7
318.05286	1.8
319.06027	0.7
321.07614	5.2
322.08215	0.8
331.06094	1.9
333.07697	2.3
343.05954	1.3
348.06430	2.0
349.07111	1.3
361.06848	0.7
363.08618	8.9
381.09766	2.2
403.07797	10.2
404.08273	0.8
405.09506	0.9
421.09061	0.9
463.08444	0.6
523.12195	0.8
565.13361	1.5
583.14099	1.6
609.11786	1.1
625.15265	19.0
626.15759	2.0
669.14215	100.0
670.14508	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03936	0.5
55.01859	0.5
55.05502	0.4
57.03433	0.4
65.03944	0.3
67.05505	0.3
68.99784	0.2
69.03435	1.3
70.06561	0.2
71.05000	0.3
71.08659	0.2
71.46906	0.2
75.04482	0.4
77.03903	0.4
78.04698	0.2
79.05488	1.3
80.06269	0.3
81.03408	1.6
81.07038	0.4
83.05008	0.2
83.08630	0.3
85.02908	2.5
87.00826	1.1
88.11266	0.2
89.03873	0.2
90.04700	0.5
91.05483	3.2
93.07040	0.5
95.04962	2.0
95.08584	0.3
97.02862	1.0
99.04441	0.5
100.07620	0.3
100.11263	0.9
103.05450	0.6
105.01847	0.4
105.03416	0.2
105.04517	0.3
105.05541	0.2
105.07034	1.4
106.04147	0.8
107.04961	4.5
108.05749	2.3
109.02892	1.1
109.06534	0.8
111.04438	2.7
112.35229	0.2
115.05473	0.4
116.06179	0.2
117.07037	0.5
118.04142	0.5
119.04962	0.5
119.06030	0.2
119.08583	0.2
121.06516	2.0
123.04456	0.4
123.08086	0.5
127.03905	1.2
128.06239	0.2
128.07114	0.2
128.78680	0.2
129.06967	0.4
131.04921	1.0
131.08582	0.2
132.05768	0.2
133.06494	1.2
133.10129	0.2
134.07251	0.2
135.04420	1.4
135.08035	1.0
136.05199	4.0
137.05980	2.2
137.09605	0.2
138.06769	1.0
139.07565	0.4
143.08591	0.3
144.05759	0.2
145.02946	0.2
145.04880	0.2
145.06502	1.2
145.10126	0.2
146.07271	1.4
147.04424	0.4
147.08035	1.6
148.05183	4.0
149.05991	0.6
149.09616	0.3
150.06769	1.3
151.07538	100.0
152.07866	2.6
153.05470	0.2
153.09091	0.5
157.06485	0.3
158.07291	0.4
159.02925	0.3
159.08089	0.9
159.11697	0.2
160.08847	0.8
161.05981	2.9
161.09612	0.9
162.06740	0.7
163.07533	4.3
164.08279	0.6
165.05516	0.9
165.09109	6.2
166.06248	8.5
167.07056	2.9
168.07573	0.2
169.06503	0.3
170.15404	0.5
171.08038	0.8
172.08812	0.9
173.06004	0.6
173.09637	0.8
174.06741	0.7
174.10394	0.2
175.07544	1.4
176.08334	2.7
177.05525	0.7
177.09105	9.8
178.09666	0.3
179.07025	1.0
179.10658	1.4
180.07825	1.2
181.08589	56.6
182.09042	1.7
182.15433	0.6
183.15681	0.2
184.08749	0.3
185.06059	0.2
185.09654	0.3
186.06714	0.3
186.10406	0.7
187.07516	1.2
187.11156	0.3
188.08342	2.5
189.05434	0.3
189.09096	4.1
190.09882	1.3
191.06998	0.6
191.10677	3.9
192.07791	0.6
193.08594	3.0
194.09343	0.5
195.10149	4.4
195.11920	0.3
198.14938	0.6
199.07556	0.3
200.08371	0.5
201.09106	2.0
202.09891	2.4
203.07034	0.7
203.10661	3.9
204.07852	0.4
204.11179	0.2
205.08633	1.0
205.12216	0.5
206.09427	1.0
206.11070	0.2
207.10170	3.6
208.10721	0.2
209.11768	0.3
209.16473	0.3
210.14922	0.7
211.15289	0.2
212.08284	0.2
215.10652	1.2
216.07770	0.3
216.11426	1.9
217.08585	0.5
217.12219	4.3
218.09348	0.5
218.12572	0.2
219.10184	1.5
221.11717	3.2
225.11174	0.9
230.09795	0.2
231.10181	0.8
232.10899	0.3
233.11725	2.6
233.13959	0.3
235.13216	1.0
242.09428	0.2
243.10172	0.8
245.11768	0.7
247.09612	0.4
247.13306	2.2
251.12801	1.5
261.11319	0.5
263.12863	0.8
265.14297	1.2
268.92709	0.2
273.11298	0.3
286.74557	0.1
291.12601	0.3
321.14951	0.2
323.16412	0.3
333.11401	0.2
339.15997	0.7
349.14447	0.3
353.17377	1.4
354.18225	2.4
355.15088	0.4
355.18967	0.5
370.17740	9.0
371.18307	0.6
381.17111	0.5
383.18634	0.4
385.20078	28.8
386.20474	2.1
391.15320	0.2
391.88245	0.2
391.94238	0.2
393.16357	0.2
395.18518	0.7
397.20447	0.2
402.20120	0.2
403.21161	18.6
404.21701	1.5
409.20178	0.5
411.18188	0.3
413.19550	1.6
427.21417	1.0
453.19092	0.4
462.40857	0.2
493.22455	0.5
511.23080	0.5
529.24213	0.3
650.49866	0.3
651.49072	0.3
668.51929	1.1
669.25433	0.3
669.51825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.03958	0.6
67.05508	0.6
70.71708	1.1
81.07071	0.7
93.16887	0.6
99.60665	0.6
107.94067	0.6
114.73113	0.6
118.92229	0.5
182.09894	0.6
208.18484	0.6
228.50497	0.6
252.66101	0.7
377.17587	0.7
379.19150	0.9
391.19336	1.0
393.20828	0.9
407.22595	2.0
407.86310	0.6
419.18854	0.9
420.19427	1.3
421.20193	2.9
434.16980	0.7
435.21994	4.1
436.22842	3.3
445.24570	0.7
447.22223	1.2
449.23666	4.3
450.24307	1.8
459.21741	1.0
461.19769	2.1
463.20728	8.5
465.23206	0.9
473.23538	1.1
475.21307	1.2
476.22327	2.2
479.24634	1.3
491.24625	2.2
495.23679	6.5
505.25989	1.0
507.24014	2.7
521.25616	1.0
522.26178	2.5
523.27148	19.7
524.27441	1.9
531.24524	0.9
532.24762	1.6
533.25671	0.8
535.23688	1.9
549.25146	1.3
550.25861	4.0
551.26495	1.8
564.27368	1.9
567.26190	1.4
577.24908	1.7
578.25586	1.1
581.27734	1.8
582.28381	26.7
583.28778	1.9
591.25995	1.5
609.27002	11.4
610.27576	0.9
611.47626	0.8
619.25726	1.0
637.26489	2.7
651.28082	1.8
669.29205	100.0
670.29370	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2925
Annotation	Agrimol G
Peak:m/z	Relative Intensity
67.05517	0.5
67.26909	0.3
68.16557	0.3
69.07072	0.5
69.41978	1.4
69.42303	0.4
77.74442	0.3
79.05488	0.7
81.07058	0.8
91.05511	0.3
93.07059	0.6
95.08658	0.5
105.07069	0.5
120.08305	0.3
148.45107	0.3
203.26772	0.3
377.17450	0.6
379.19681	0.5
390.18539	0.5
391.19446	1.4
392.20117	1.1
393.20737	1.0
404.20358	0.6
405.16373	1.6
405.21387	0.8
406.18033	1.0
407.17853	0.4
407.22705	3.2
418.18066	1.1
419.18253	3.0
419.23505	0.6
420.18942	1.5
421.20419	3.1
423.21948	0.9
433.20306	10.9
434.21127	4.1
435.21967	5.7
436.22455	1.3
445.20459	0.6
446.21011	0.6
447.17191	0.7
447.22025	1.3
448.18143	0.4
448.23169	0.5
449.19672	6.1
449.25031	0.4
450.13971	0.3
450.20486	0.9
461.19028	0.6
462.20566	1.3
463.21149	3.1
464.21936	1.3
465.23126	0.5
476.22574	0.4
477.23395	0.4
489.19388	0.6
493.22809	1.7
495.24066	0.9
504.21237	0.5
505.22516	1.2
507.20038	0.6
508.20651	0.4
509.22211	1.4
520.24731	0.6
521.25909	6.1
522.22192	3.4
523.23096	3.1
531.24072	0.4
535.23602	1.5
536.24207	0.3
548.24530	0.6
549.25098	4.4
550.24768	0.6
567.22736	1.1
577.24915	0.4
579.25671	0.4
580.26733	1.1
581.27740	1.6
591.26422	0.7
592.26886	0.4
609.27069	15.7
610.27484	1.5
637.26862	0.9
641.29974	0.5
651.27405	0.5
659.09735	0.4
669.29193	100.0
670.29431	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01875	2.6
56.05063	0.6
57.03440	1.1
60.04514	2.0
61.02932	0.7
65.03944	2.1
67.05513	0.6
68.05025	8.0
69.03422	9.5
70.06592	3.0
71.04979	0.7
73.02914	1.1
77.03947	1.0
78.04724	0.7
79.05492	1.8
80.05016	2.6
81.03411	4.0
81.07050	0.8
84.08149	0.8
85.02897	7.4
86.09676	1.1
87.00843	2.7
87.98907	0.6
91.05476	16.5
93.07037	1.2
94.04194	1.6
95.04961	9.0
96.04454	1.0
97.02863	3.6
98.06051	12.9
99.04479	1.1
103.05462	6.7
105.01877	2.1
105.03384	1.6
105.04503	1.7
105.07016	8.7
106.04184	2.5
107.04939	4.2
109.02890	2.5
109.06523	1.7
110.07096	0.9
111.04449	1.0
115.05432	4.9
116.06232	1.9
116.07091	11.2
117.03405	0.9
117.07001	2.3
118.04133	1.3
119.04938	15.6
119.08549	0.9
120.58009	0.7
121.02874	1.2
121.06507	9.0
122.03650	2.7
123.04414	6.0
123.08040	0.8
125.05939	1.3
127.03919	5.0
127.20826	0.8
128.06186	3.4
129.07004	5.9
130.04115	1.1
131.04918	9.4
131.08566	2.6
132.05716	2.1
133.02818	0.9
133.06468	7.5
134.03647	2.5
134.08119	100.0
135.04420	2.5
135.08295	1.2
136.07556	0.8
137.05969	48.9
144.05673	6.4
145.02840	1.4
145.04938	1.5
145.06505	4.6
146.03546	0.8
146.07263	2.0
147.04396	19.3
147.08052	6.7
149.05966	18.9
150.06754	0.9
151.03864	3.9
151.07539	6.1
153.05482	2.3
153.07005	1.2
155.06047	1.2
156.05661	2.1
157.06461	2.5
158.07239	0.8
159.02945	1.4
159.04391	0.9
159.08052	24.5
160.05255	2.4
161.05968	57.9
161.09570	1.3
162.06752	12.7
163.03857	1.5
163.07547	2.9
165.05476	2.4
165.06880	0.9
167.07060	2.5
171.04347	1.8
171.07991	0.8
172.05188	7.4
173.06004	1.5
174.06796	4.8
175.07530	20.4
177.05460	28.2
178.05891	0.9
179.07042	9.4
179.08472	1.3
180.07748	0.9
181.06445	1.7
184.05180	2.4
185.05946	3.0
186.06735	1.5
187.07527	91.6
188.07970	1.9
189.09108	3.6
190.06265	4.5
191.07022	8.6
191.08572	1.4
192.07741	1.9
193.04897	0.8
193.08568	11.3
194.07217	1.0
195.06381	0.8
195.08029	1.0
198.06746	1.9
199.07533	26.5
200.07961	0.8
201.05490	2.4
203.08589	0.8
205.08580	49.2
206.07268	1.2
207.06409	1.6
207.08156	1.2
209.08040	1.6
210.06731	1.5
211.07481	1.6
213.09039	1.7
215.06967	1.9
216.07787	12.7
217.08580	55.1
218.07170	1.3
218.09007	1.2
219.06270	1.2
219.08035	2.7
219.10107	1.9
221.05984	1.5
221.09607	2.3
222.06798	1.0
223.07610	1.6
225.09065	2.5
231.08083	0.7
233.07881	0.9
234.06673	1.5
235.07512	2.4
235.09607	16.1
236.08246	1.1
237.09053	1.9
239.07120	1.2
239.10681	1.7
241.08524	1.9
244.08887	1.0
247.07556	2.0
248.08278	1.2
249.09116	3.5
251.06944	2.1
251.10577	2.4
253.05685	0.7
253.08539	3.5
253.11652	1.3
254.09322	1.1
255.10370	0.8
259.07529	1.2
261.09177	1.5
263.06906	1.1
263.10553	1.3
264.07736	1.2
265.08530	4.3
266.09296	1.9
267.10074	5.1
269.11667	0.8
270.08963	0.9
271.09921	1.0
273.11316	4.5
276.07809	1.0
277.08582	8.3
278.09225	1.2
279.10101	3.0
281.11655	2.1
283.09607	2.5
285.11166	9.7
289.08502	1.8
291.10031	1.7
294.08899	1.7
295.09659	10.6
295.12833	1.1
297.11230	4.7
307.09576	3.1
307.12888	0.8
308.10428	1.2
309.07819	1.4
309.11197	17.0
310.11859	3.7
311.09302	1.1
311.12689	3.9
315.12259	3.8
321.11142	2.9
322.11899	1.6
323.12708	2.4
325.10632	3.6
327.12329	11.2
335.12518	1.6
339.12347	4.3
340.12967	6.4
341.13449	0.9
347.12640	1.6
353.13809	1.1
357.13254	2.8
358.14145	3.6
365.13919	0.9
369.13385	1.7
387.14252	1.5
397.16562	0.9
459.17792	4.8
469.16144	2.1
471.17831	3.1
487.17383	1.1
489.18991	1.8
501.18835	1.5
670.20258	1.0
671.21313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.28422	0.6
55.01865	1.4
56.05029	0.7
60.04522	1.8
65.03931	1.1
67.05508	1.0
68.05024	6.3
69.03427	7.7
70.06585	2.9
70.86385	0.6
77.03947	0.9
79.05445	1.4
80.05006	2.4
85.02899	2.6
86.09715	1.1
89.03948	0.8
89.27553	0.6
91.05474	14.7
93.07052	0.8
94.04186	1.5
95.04974	8.6
97.02886	1.9
97.06500	0.6
98.06055	10.9
98.23450	0.7
99.04446	0.6
103.05459	1.9
105.03394	1.6
105.04520	1.7
105.07036	4.9
107.04936	2.4
109.02859	0.8
109.06546	2.2
111.04424	0.6
115.03909	1.4
115.05431	3.1
116.06279	1.5
116.07072	9.8
117.07011	1.7
118.04160	0.9
119.04161	1.3
119.04947	13.9
119.08577	1.6
121.02900	0.7
121.06506	6.9
122.03645	2.2
123.04446	5.9
125.05970	0.9
127.03931	1.0
128.06252	3.4
129.07016	4.3
131.04919	5.2
131.08577	1.9
132.05745	1.1
133.02802	1.1
133.04965	1.2
133.06505	5.0
134.03618	1.8
134.08127	100.0
135.04388	2.0
137.05978	55.1
138.06310	1.3
141.07001	1.1
143.04910	1.0
144.05713	4.8
145.04945	0.6
145.06520	3.4
146.07251	1.9
147.04407	18.6
147.08043	7.0
149.05984	12.2
150.06679	1.7
151.03889	2.6
151.07550	3.8
153.07019	0.9
155.04842	1.3
156.05684	2.3
157.06499	1.6
159.08060	20.4
160.05234	1.8
161.05974	51.7
162.06773	14.1
163.03958	1.5
163.07552	2.3
165.05452	2.1
165.06958	1.2
167.07071	1.3
171.08139	0.9
172.05188	5.0
173.05972	1.2
174.06773	3.5
175.07553	20.0
177.05516	3.3
177.09052	1.3
179.07059	8.7
179.08583	1.5
181.05048	1.0
181.06522	2.8
181.96071	0.7
184.05240	1.4
185.05896	1.6
186.06689	0.9
187.07539	81.3
188.07971	2.3
189.09097	1.8
190.06221	4.5
190.07744	0.9
191.07018	4.0
191.08571	1.6
193.06468	1.7
193.08437	1.2
194.07272	1.1
195.08110	1.2
198.06754	1.6
199.07538	17.0
201.05478	1.5
203.06943	0.8
203.08577	1.5
203.10812	0.6
205.08591	52.6
206.07243	0.8
206.09006	1.4
207.08083	1.5
208.08701	0.7
209.06206	0.7
211.07544	0.9
213.09219	1.6
215.06880	0.7
216.07809	11.8
217.08591	45.5
218.07227	1.4
219.08087	3.8
219.09995	0.9
221.05957	1.1
221.09621	1.8
222.06738	0.9
223.07507	1.1
224.08356	1.5
225.09161	1.8
231.08075	1.6
232.08934	1.0
233.07939	0.9
234.06676	1.5
235.07489	2.7
235.09608	16.3
236.08267	0.8
237.09108	1.5
239.06984	0.7
239.10674	2.2
241.08612	2.0
246.06683	1.4
247.07579	2.2
248.08388	0.6
249.09148	2.7
251.07071	2.1
251.10744	3.4
252.07825	2.0
253.08601	2.4
255.10001	1.0
259.07596	1.4
261.09106	2.3
263.06897	0.7
263.10715	1.0
264.07764	0.9
265.08600	2.7
266.09518	1.8
267.10162	5.6
268.10855	0.7
273.11343	4.3
275.07391	0.8
275.10446	1.3
276.07925	0.8
277.08582	6.4
278.09409	1.7
279.10214	3.8
281.11853	1.4
283.09650	1.8
285.11227	9.5
287.66800	0.7
289.08627	0.9
291.10156	2.2
293.11655	1.5
294.08868	1.4
295.09668	14.6
296.06827	0.8
296.10443	1.5
297.11188	4.2
297.88028	0.7
299.12778	1.9
303.12601	0.9
307.09726	2.5
308.10532	0.9
309.11240	15.8
310.11929	2.0
311.09335	1.4
311.12711	8.4
315.12476	3.9
321.11313	2.6
322.12012	1.6
323.12717	3.9
325.10681	1.9
327.12280	14.6
328.12933	0.9
339.12390	4.3
340.13028	8.5
341.13809	2.2
347.12701	1.6
353.13980	1.1
357.13553	0.9
358.14050	4.2
365.13849	0.9
387.14484	1.6
459.17795	3.0
469.16580	1.5
471.17981	3.4
473.12973	0.7
487.17310	1.6
489.19168	1.6
501.18903	1.6
644.64661	0.8
670.28003	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33834	0.3
63.14624	0.2
67.05488	0.9
70.45274	0.4
74.58073	0.3
79.05459	0.4
81.07043	0.4
85.02927	0.4
91.05470	0.6
93.07011	0.3
95.04952	0.5
95.08571	0.4
105.06995	0.3
107.04931	1.1
107.08581	0.4
108.05733	0.3
109.06524	0.3
109.10176	0.7
112.18862	0.3
115.05431	0.3
119.08554	0.3
121.06524	1.2
128.06262	0.5
129.06999	0.5
133.06512	0.2
133.10135	0.3
135.04417	1.0
136.05203	2.0
137.06010	0.3
141.06982	0.7
143.08597	0.3
145.06458	0.5
145.10103	0.4
146.07246	0.8
147.08038	0.3
149.06050	0.3
150.06775	0.8
151.07550	11.2
153.06995	0.8
154.07764	0.7
155.08580	0.9
157.06535	2.1
158.07239	1.2
159.08011	1.0
162.06743	0.4
163.07520	0.6
165.09106	4.6
167.06937	0.5
168.05736	0.3
169.06487	1.7
170.07242	0.3
171.08063	3.3
172.08836	3.8
173.05983	1.0
173.09671	0.6
174.06755	1.0
174.10376	1.7
175.07455	0.5
175.23471	0.3
177.09108	2.9
183.08072	1.0
184.07300	0.5
184.08850	6.8
185.05969	1.9
185.09488	0.4
187.07541	0.6
188.08319	9.6
189.09097	3.3
190.09848	0.4
199.07510	1.4
200.08324	5.6
201.09154	2.3
202.09915	0.4
203.10683	8.8
205.08485	0.3
205.12231	2.4
212.16550	0.3
215.10680	35.0
216.11043	0.5
217.08434	0.4
218.09335	1.4
229.14334	0.3
231.10121	0.3
233.11737	17.0
234.12149	0.4
245.11801	0.7
254.17487	0.6
259.09653	2.0
275.12784	100.0
276.13284	2.4
291.13718	0.3
307.13318	0.7
322.15659	0.7
338.14975	0.3
351.72482	0.3
353.17477	3.1
425.05533	0.8
437.25330	0.3
443.06351	0.5
455.06104	0.5
455.26074	0.3
485.07346	0.7
510.52982	0.3
521.98071	0.3
611.10315	0.5
670.24170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
55.01871	0.8
55.52386	0.4
65.03934	0.5
67.05520	1.2
67.28578	0.4
69.03418	1.6
69.71539	0.6
69.71884	1.4
71.04983	0.6
73.02901	0.7
77.03961	0.5
78.04696	1.0
79.05500	3.8
81.03416	0.9
81.07053	1.3
85.02906	5.8
88.16207	0.4
88.57720	0.4
91.05493	3.5
93.03436	0.4
93.07032	0.9
95.04950	1.3
95.08583	0.6
97.02882	2.0
98.23400	0.6
99.75127	0.5
103.05479	5.9
104.06158	0.5
105.03395	0.8
105.04543	0.6
105.07036	2.1
106.04203	1.0
107.04958	9.9
107.05668	0.7
107.08574	0.5
108.05734	2.3
109.02897	0.5
109.06516	1.1
109.10170	0.6
115.05445	1.8
117.07003	1.9
119.04937	0.8
121.06525	3.3
122.03632	0.8
123.04433	3.2
123.08084	2.3
124.05221	2.1
125.05996	0.9
127.03891	0.8
128.06268	0.6
129.06996	1.3
131.04933	10.2
131.08607	0.7
133.06490	1.0
134.03563	0.5
135.04413	2.0
135.08038	1.5
136.05206	4.8
137.05989	8.7
141.07011	1.0
143.04922	1.3
143.08551	0.8
144.05675	1.0
145.04991	0.7
145.06488	2.5
145.10135	1.2
146.07268	5.1
147.08060	1.9
149.05951	1.3
149.09592	0.7
150.06784	5.0
151.07547	100.0
152.04643	1.0
152.07910	1.5
153.05481	0.9
157.06477	1.6
158.07224	3.5
159.08038	1.8
161.05978	1.9
162.07758	0.6
163.07547	23.5
165.07719	0.7
165.09120	21.1
167.07042	63.8
168.07410	1.0
171.08075	1.3
172.05229	0.7
172.08829	1.3
173.05981	1.9
173.09660	2.4
174.06749	3.3
175.07535	3.2
176.08249	0.6
177.09111	29.0
179.10663	0.9
180.08669	1.7
181.08589	1.7
186.06819	1.0
186.10391	2.2
187.07535	6.2
188.08321	2.8
189.09105	12.3
191.10683	1.7
193.08623	2.1
201.09116	14.2
202.09898	3.2
203.10620	6.4
207.10226	1.1
215.10674	1.6
217.12242	12.1
218.09442	0.4
219.10089	3.3
232.08861	0.9
233.09613	0.7
233.11717	12.1
245.09627	0.5
247.11145	1.1
248.12009	1.1
261.09189	1.1
263.10501	0.6
264.11441	0.5
275.10623	1.1
276.11511	1.6
279.13800	1.4
289.12369	0.6
292.10873	0.8
293.11493	1.0
307.13232	4.7
308.14093	3.2
311.16278	0.5
324.13559	0.6
332.16727	0.5
339.15918	41.8
340.16367	1.6
347.63287	0.5
356.16122	2.3
369.16644	0.6
371.18530	60.2
372.19070	1.9
389.19473	3.4
413.19604	0.6
431.20734	3.2
593.15118	0.5
670.14081	0.9
670.27441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05294	1.0
55.05513	27.5
57.03437	7.6
57.07079	12.7
61.02930	32.2
61.11360	0.9
63.51974	1.0
65.03946	1.3
67.05507	39.2
69.03439	3.0
69.07072	42.1
71.04995	3.4
71.08635	10.4
73.02920	11.0
73.06614	0.8
75.04484	2.9
76.33887	1.0
79.05501	18.3
81.03429	1.0
81.07059	49.0
82.87592	1.0
83.04996	1.5
83.08624	39.4
85.02909	33.7
85.06541	2.5
85.10199	4.0
87.04469	1.3
91.02375	0.8
91.03961	31.5
91.05484	2.8
93.07051	26.2
95.04967	2.0
95.08612	39.4
97.02895	16.2
97.06529	9.9
97.10173	24.5
98.22900	4.6
98.23595	1.7
99.04470	1.1
99.08108	1.1
101.09677	1.2
105.07090	1.1
107.08603	20.0
109.10161	17.4
111.08070	6.8
111.11721	6.5
113.09629	1.0
115.03964	1.6
115.07553	1.3
115.11215	1.3
121.10149	44.8
123.11716	13.5
125.09650	3.3
125.13221	1.1
127.03937	13.1
129.09082	1.0
133.10161	1.2
135.11693	35.4
137.13246	9.5
139.11145	5.0
143.10600	1.0
145.04962	16.5
148.41000	0.8
149.13261	14.0
151.14867	1.4
153.12766	2.6
155.14307	1.0
161.13210	0.8
163.06024	25.9
163.14827	5.4
167.14355	2.4
177.16452	2.7
219.21092	46.8
220.21463	1.4
237.22141	100.0
238.22493	2.3
255.23209	28.3
311.25806	83.2
312.26111	2.9
329.26871	94.6
330.27203	4.4
473.31384	1.1
482.19296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	0.8
69.03419	0.7
69.07029	0.9
79.05500	0.6
81.07051	0.8
85.02928	0.7
91.05469	1.1
93.07053	1.4
95.08609	1.4
101.00909	0.8
105.07065	1.1
107.08598	1.1
109.10170	0.7
119.01909	1.0
119.08577	0.7
121.06492	0.7
131.08569	0.6
131.51740	0.6
137.05959	6.8
138.06339	0.8
143.01997	0.8
145.10139	1.5
151.07578	2.4
157.03317	0.5
161.03008	1.3
163.07565	0.7
165.09158	1.6
173.09601	1.3
174.10042	0.6
175.07518	0.9
178.96698	0.5
185.04283	0.6
201.03735	0.9
203.05331	1.3
215.10732	1.1
216.11150	0.8
221.04948	0.7
233.11841	0.8
234.12125	0.7
243.04893	1.3
245.06461	2.0
271.04086	0.7
279.22784	0.6
287.03708	12.1
289.05280	22.4
405.22449	13.8
407.24057	11.4
408.24377	0.7
423.23654	6.5
447.23456	3.9
449.24677	1.8
451.10861	1.3
465.24213	1.4
491.22513	32.6
492.22803	1.9
493.24124	3.1
507.24228	0.7
509.23746	4.4
551.23468	0.6
585.28729	0.9
627.29871	14.3
671.28802	100.0
672.28784	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
64.09869	0.5
67.05495	0.7
69.41952	1.3
69.42360	1.9
81.07056	0.8
84.32086	0.6
84.58694	0.5
88.00322	0.6
139.55013	0.6
243.09489	0.5
258.86948	0.6
367.19348	1.0
395.18469	1.4
405.21182	0.8
407.18353	1.0
410.21021	1.0
421.20453	1.0
422.21295	0.7
425.23825	0.7
437.23450	0.8
438.20605	3.1
439.21283	1.3
447.21884	0.7
449.23666	1.2
451.21069	0.9
453.22827	6.1
454.23480	1.0
460.22498	1.4
462.20099	0.8
465.23022	1.3
469.25937	2.5
474.24246	0.9
476.21851	1.7
477.22903	2.1
479.20456	1.2
483.23807	1.0
493.22223	0.8
497.25565	3.3
501.23373	0.7
502.23853	0.9
503.20554	1.3
505.18347	0.9
506.23370	1.0
507.24112	1.0
509.25723	1.0
510.26218	0.8
512.27960	3.4
520.24982	1.2
521.21399	0.9
522.26465	0.7
523.19781	1.7
523.27106	1.3
525.24976	2.9
529.22577	1.4
533.25446	1.6
534.26007	1.0
535.26349	0.8
537.24426	0.8
538.25958	3.5
539.26331	1.0
540.27283	8.0
541.26892	0.7
545.25610	1.8
551.26825	3.0
561.25018	1.6
563.26459	2.6
564.23865	0.8
579.26166	2.5
589.24609	1.8
593.27631	2.3
594.29938	0.6
607.25946	1.8
611.28357	2.8
612.28839	0.8
639.28125	7.8
639.38220	1.0
653.77338	0.7
656.72980	0.7
671.30695	100.0
671.40198	5.4
672.30902	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80537	1.0
69.34384	5.3
90.97112	1.3
93.07033	1.0
95.04932	1.1
209.10875	1.1
237.13881	1.4
247.12401	1.1
249.14075	1.3
262.13559	1.2
287.20288	0.9
303.11823	1.0
316.74484	1.1
367.19440	2.8
377.17566	1.4
379.19617	1.5
381.17038	1.2
382.21591	1.1
391.19235	1.7
395.18845	1.2
403.19614	1.2
405.16571	1.6
407.18588	1.2
408.19769	1.7
410.21033	2.0
411.22009	1.1
421.20392	2.0
422.21332	2.0
423.17731	1.2
437.19296	2.3
438.20529	4.7
439.21292	2.5
445.20673	2.3
449.19534	1.6
451.21490	1.8
453.22876	8.5
459.21960	3.1
460.22403	3.0
461.23575	2.1
462.20877	1.6
463.21646	1.9
465.23007	2.4
469.26080	2.0
472.18790	1.4
473.24249	1.3
474.24490	2.1
476.21994	1.3
477.23065	2.9
478.20126	1.1
479.20865	1.4
483.23755	1.8
491.20724	1.7
493.22299	2.6
497.25626	6.6
502.23853	2.9
503.20813	2.4
507.24222	1.9
509.24167	0.9
511.27414	1.5
512.27820	5.3
521.21741	1.8
522.21967	2.2
523.22589	1.2
524.24542	1.9
525.24976	4.0
529.22424	2.1
533.25647	3.2
538.25806	3.4
540.27325	8.4
545.25452	4.3
551.23523	3.2
561.25146	3.7
563.26434	1.9
579.26031	2.4
589.24310	5.6
593.27594	1.7
607.25409	1.3
611.24811	8.4
612.25665	1.3
621.27094	1.6
627.28278	2.8
639.26428	11.9
640.27136	1.1
642.97968	1.3
671.30719	100.0
671.40015	4.9
672.31281	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02582	0.7
55.05497	0.9
55.66260	0.6
59.38298	0.6
67.05499	1.6
67.63111	0.6
69.07085	0.7
69.20026	4.0
81.07059	1.9
91.05486	1.5
92.57413	0.6
93.07040	1.5
97.10168	0.8
105.07011	1.3
107.08591	1.1
109.10149	0.8
119.08579	0.9
131.08525	1.1
378.18466	0.9
381.20651	2.0
389.17661	0.9
394.21442	1.0
395.22290	4.5
403.18970	2.1
404.19980	1.5
407.22461	1.5
409.20001	3.4
417.20969	1.2
418.21515	1.6
421.24347	0.8
423.21564	5.2
424.22562	1.0
431.17844	1.0
431.22781	1.0
432.19083	1.4
433.20123	1.1
434.20737	1.0
435.17664	1.6
445.20520	1.6
446.21066	2.7
449.19653	3.0
450.20273	1.3
451.21161	1.6
455.24545	2.4
458.21698	0.8
459.22238	4.3
460.22275	2.5
461.19373	4.6
462.20447	2.3
463.21649	1.0
469.26343	1.6
470.26517	1.6
473.19699	1.6
474.20352	2.8
475.21100	1.6
476.21747	2.5
477.22452	4.0
478.20020	2.3
479.20966	1.0
487.21429	4.4
488.18765	0.7
488.22092	1.2
489.22989	2.0
490.19754	1.0
491.20178	0.8
493.21945	1.0
501.19153	1.0
503.19333	1.5
503.24780	1.3
505.22226	5.9
507.23688	3.0
509.25812	1.9
515.20935	1.3
519.24200	6.5
521.22034	0.7
523.22449	2.5
524.23901	1.0
525.24536	1.4
531.23657	0.9
533.24908	2.6
537.24774	2.7
547.23364	31.3
548.23566	4.3
549.24994	0.8
551.26282	1.9
561.24823	2.8
562.25690	3.4
563.26447	2.4
565.24921	1.1
566.25195	2.4
575.22815	8.1
579.25684	0.9
583.29309	3.7
593.27563	34.3
594.27539	3.9
607.25525	2.3
610.27576	0.8
621.26910	11.2
622.26959	1.2
627.32025	0.9
639.27490	2.0
653.29590	68.3
654.29639	6.0
671.30457	100.0
671.39142	5.3
672.30957	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3072
Annotation	Moluccensin E
Peak:m/z	Relative Intensity
53.23851	0.5
55.05505	1.2
67.05519	0.5
69.32318	2.4
70.26238	0.6
76.67018	0.5
79.05492	1.1
81.07057	1.1
84.03784	0.5
93.07028	1.0
95.08584	0.8
105.07001	0.8
106.26047	0.7
107.08636	0.6
109.10126	0.7
119.08575	0.8
121.10170	0.7
131.08612	0.6
153.47406	0.6
175.73308	0.5
196.67761	0.5
254.65121	0.5
353.69757	0.5
364.37335	0.6
366.18515	0.6
380.19800	0.8
394.21356	0.9
395.22318	2.7
403.19287	2.1
404.20270	0.7
409.19870	2.6
416.19955	0.7
417.20816	1.6
418.21796	1.6
419.22620	0.8
422.20959	1.0
423.21716	4.9
424.22336	1.1
431.17911	1.2
431.23007	1.2
432.18613	1.2
432.23871	0.9
433.20245	1.4
434.21143	0.8
435.17599	0.9
437.23370	0.7
445.20270	1.5
446.21472	2.9
449.19913	2.3
450.20108	1.4
451.20953	0.7
455.24493	2.1
458.21350	0.9
459.22186	4.5
460.23074	3.1
461.19058	3.9
462.19965	3.0
463.16788	0.9
464.18411	0.7
469.26135	1.7
470.27216	0.7
472.18723	0.7
473.19482	1.2
474.20349	1.9
475.20883	1.2
476.22482	1.0
477.23978	2.9
478.20032	1.9
479.20862	1.0
481.26398	0.7
487.21375	4.5
488.21945	2.0
489.22696	2.2
491.20792	1.1
493.22232	0.7
501.19083	1.2
502.20282	0.8
503.20953	2.0
505.22189	5.8
506.22903	0.7
507.24872	2.6
508.24857	1.0
509.25119	2.0
510.26218	0.9
515.20898	1.4
519.24194	6.5
520.24701	1.0
521.25220	1.1
523.22699	1.3
524.24677	1.5
531.23669	0.7
533.25092	2.4
534.23669	0.7
535.27032	0.7
537.25037	3.3
547.23364	27.3
548.23975	4.5
549.25391	0.8
551.26593	1.6
561.24841	3.6
562.26001	3.1
563.26135	1.7
565.27667	0.8
566.25354	1.9
575.22839	7.9
579.25879	1.0
581.27448	0.9
583.28967	2.5
593.27588	34.5
594.28003	3.8
607.25336	2.3
611.28253	1.0
612.29468	0.8
621.27075	11.2
622.27417	1.1
639.28162	2.5
653.29645	62.2
654.30103	5.9
671.30573	100.0
672.30841	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03431	2.8
59.04986	0.6
60.04516	0.8
61.02884	0.5
69.03426	11.9
69.92155	0.5
69.92474	0.9
74.72916	0.4
78.57643	0.6
79.05492	1.5
81.03407	1.0
82.84802	0.5
83.01270	0.5
85.02900	8.5
87.04459	6.3
91.05481	7.9
93.03409	1.0
93.07030	0.5
94.04195	0.7
95.04981	2.8
97.02899	7.8
98.06036	0.8
103.05463	2.1
105.07017	2.1
106.04168	1.5
107.04945	2.5
109.02901	0.9
109.06503	1.6
111.04382	0.7
115.03928	8.8
115.05407	1.2
116.07075	1.0
117.06967	0.9
119.04923	6.2
121.06510	3.5
122.03635	2.0
123.08063	0.8
125.05945	0.8
127.03914	1.1
128.06213	1.0
129.06992	4.8
131.04915	5.7
131.08562	1.4
133.02866	1.1
133.04967	8.8
133.06528	1.5
134.08141	5.3
135.04465	0.5
135.08032	1.8
136.05194	1.1
137.05968	34.9
138.06320	0.7
139.07544	0.6
141.06972	1.2
143.04909	0.9
145.04971	1.2
145.06487	1.6
146.07285	0.6
147.04424	2.4
148.05182	0.8
149.05968	7.9
150.07690	2.9
151.03932	4.5
151.07539	41.5
152.07835	0.7
157.06483	4.8
158.07246	0.9
159.08018	1.2
160.05353	0.5
161.05986	6.7
161.09624	0.7
163.03847	0.9
163.07545	15.8
165.05553	0.9
165.07002	1.4
165.09111	1.5
166.07594	0.5
167.07095	0.9
167.08551	2.9
169.06358	0.5
174.06766	3.1
175.07533	4.6
177.05531	2.8
177.09097	12.3
178.07794	1.1
179.07037	1.1
181.06509	0.6
181.08615	1.6
182.07140	0.5
187.07513	1.4
189.09102	15.8
191.07037	4.8
193.06474	1.5
193.08572	1.2
193.10150	1.8
195.08064	7.9
195.09973	0.9
197.06062	0.7
199.07495	0.6
201.09149	1.7
203.08722	0.5
203.10773	0.8
207.10168	3.3
209.08070	4.6
209.09584	0.9
210.06758	1.1
211.07486	0.5
212.08330	1.0
213.09023	1.0
219.08374	0.6
219.10156	15.7
221.05966	2.2
221.09595	2.9
221.11726	3.5
222.06819	0.7
223.07533	3.6
224.08469	1.0
225.09074	2.9
227.10655	10.8
237.09091	1.3
240.07727	0.9
241.12192	0.8
242.09721	0.5
243.10017	0.8
249.09001	1.6
249.11270	1.5
253.08604	4.8
253.12206	5.5
255.10115	11.3
259.13351	0.6
263.10901	0.9
265.08395	0.8
266.09576	0.6
267.10092	2.3
269.08109	1.5
269.11670	0.8
272.10428	1.2
273.11395	1.0
281.11755	2.3
284.10410	0.6
285.11182	8.8
287.12759	19.8
297.10999	0.7
298.11819	0.6
299.12692	1.7
301.14383	1.0
309.11203	0.8
311.12723	2.5
313.14322	19.1
331.15378	100.0
332.15839	2.6
341.13828	0.9
343.15375	8.8
355.15378	1.0
367.15189	2.3
373.16129	0.5
379.15356	0.9
397.16483	4.9
409.16318	1.6
427.17407	0.8
445.18619	1.5
463.19629	2.0
510.27139	1.2
672.23608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29540	0.3
53.03943	1.0
55.01887	0.8
57.03449	0.5
58.47547	0.3
59.86856	0.3
65.03961	0.4
66.86984	0.3
66.91264	0.5
69.03423	2.3
69.42159	0.9
69.42548	0.7
70.06606	0.3
73.02894	0.8
74.09425	0.3
77.03943	0.6
78.04713	0.5
79.05499	2.7
80.06274	0.4
81.03415	3.1
85.02902	5.1
86.09692	0.4
87.00828	2.0
90.04685	0.4
91.05467	2.7
95.04968	1.6
97.02876	2.7
99.04446	1.0
100.27832	0.3
103.05454	4.3
105.01830	0.8
105.03438	0.9
105.07029	1.4
106.04163	1.0
107.04946	8.3
108.05748	1.5
109.02872	1.8
109.06527	0.6
111.04445	1.6
115.05457	1.2
117.07011	1.3
119.04966	0.6
119.08595	0.4
121.06517	2.9
122.03667	0.4
123.04442	1.7
123.08052	0.8
124.05244	1.6
127.03924	2.4
129.06964	0.6
131.04929	7.7
133.06488	1.2
134.08153	0.5
135.04381	2.3
135.07999	1.8
136.05190	2.3
136.06192	1.1
137.05963	6.8
141.06923	0.4
143.04886	0.6
144.05727	0.4
145.04980	0.5
145.06464	1.9
145.10170	0.5
146.07248	3.3
147.04417	0.7
147.08029	1.4
149.05968	1.4
149.09569	0.5
150.06763	1.7
151.07533	100.0
152.04697	1.4
152.06818	0.4
152.07851	2.2
152.91457	0.4
153.05426	1.5
157.06523	0.4
158.07285	1.2
159.02930	0.8
159.08008	1.3
160.08839	0.4
161.06001	2.4
161.09550	0.8
162.06708	1.4
163.07536	19.6
165.09111	8.2
165.10413	0.6
167.07028	61.0
168.07442	1.3
171.07996	0.8
172.08838	0.6
173.06006	0.7
173.09662	0.9
174.06787	1.0
175.07538	2.4
176.08278	1.3
177.09097	24.6
178.09506	0.7
179.07076	0.9
179.10658	0.8
181.08588	3.2
186.06729	0.4
186.10362	0.7
187.07516	1.9
188.08269	1.7
189.09082	4.3
191.07027	0.4
191.10614	2.4
192.07770	0.4
193.08652	3.2
195.10161	0.7
201.09087	3.8
202.09824	1.9
203.10651	3.5
205.08597	0.9
205.12228	0.4
207.10123	1.1
211.09628	0.5
215.10718	0.9
217.08568	0.7
217.12199	5.2
219.10075	2.0
221.11772	1.5
223.12444	0.4
231.10101	0.6
233.11696	2.8
235.13277	1.4
237.11153	0.8
243.10150	0.8
249.11320	0.9
251.12799	1.6
261.11377	0.5
276.11261	0.7
277.10800	0.6
293.11688	0.6
307.13208	1.7
308.14090	1.3
317.11938	0.4
325.14188	1.0
339.15887	14.4
343.15308	0.6
356.16040	1.9
369.16919	0.5
371.18509	33.4
372.18683	1.5
377.11887	0.9
378.12146	0.7
381.16693	0.9
389.19550	43.8
390.19757	1.5
395.18652	0.4
399.17761	1.5
407.20673	0.8
413.19638	1.9
435.77521	0.4
439.17374	0.5
461.18912	0.4
479.20215	0.6
497.21329	1.0
515.22479	1.1
588.47784	0.4
672.21747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28994	0.5
52.83797	0.5
53.03941	0.8
55.05517	4.4
57.03446	4.2
57.07079	40.7
59.94686	0.6
61.02634	0.8
61.02928	13.7
67.05159	0.8
67.05507	11.3
69.03417	1.8
69.07070	7.7
69.50922	1.8
69.65295	0.6
71.08633	34.7
73.02909	3.3
73.87338	0.6
74.06065	0.5
75.04476	2.2
79.05496	0.7
81.03408	1.1
81.07058	14.4
83.08625	9.7
85.02911	14.5
85.09689	1.1
85.10183	17.7
86.66352	0.5
89.06027	1.3
91.03957	13.8
93.07026	0.5
95.08609	22.9
97.02896	7.2
97.10175	6.3
99.04446	1.2
99.11736	1.1
103.07555	0.7
109.02866	1.0
109.10158	10.7
111.11713	2.5
115.03963	0.6
117.54349	0.6
123.11716	4.7
124.72425	0.5
125.13334	0.6
127.03933	5.0
137.13251	1.8
145.04962	7.6
151.14836	1.0
163.06015	11.0
207.06651	0.5
221.22588	0.9
239.23700	21.9
240.23897	0.6
256.26337	0.9
257.24725	4.1
313.27371	100.0
314.27725	2.8
331.28430	37.5
332.28812	1.3
475.32712	3.0
672.37665	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79605	0.2
53.03954	0.3
55.05509	4.6
57.03437	4.2
57.07072	37.2
58.07408	0.3
61.02923	15.1
61.75464	0.3
65.03925	0.4
67.05500	9.1
69.03422	1.8
69.07062	7.0
71.04987	0.5
71.08627	31.2
72.97789	0.3
73.02915	4.9
75.04475	1.9
79.05480	0.6
81.03429	0.6
81.07053	14.0
83.04993	0.4
83.08614	12.3
85.02898	17.1
85.06547	0.9
85.10173	17.9
89.06020	0.8
91.03950	15.2
93.07037	0.5
93.69844	0.2
95.08600	23.2
96.08981	0.4
97.02885	8.6
97.06516	0.3
97.10161	5.5
99.04459	1.0
99.08087	0.3
99.11737	1.1
103.03963	0.3
103.07565	0.6
107.08634	0.3
109.02860	0.7
109.10149	11.7
111.11697	1.7
113.13250	0.4
115.03937	1.0
123.11697	5.1
125.13257	0.7
127.03912	5.7
127.04806	0.2
131.10789	0.4
137.13249	2.1
139.14812	0.5
143.49812	0.3
145.04944	8.5
151.14857	1.0
163.06012	13.2
164.06471	0.3
165.16338	0.7
221.22658	1.1
230.79799	0.3
239.23677	20.4
240.23936	0.6
257.24722	5.0
313.27335	100.0
314.27740	3.8
331.28394	47.9
332.28729	1.6
475.32669	0.4
672.40869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05254	0.5
55.05507	4.6
57.03178	0.5
57.03434	4.3
57.07073	34.6
61.02924	12.3
61.03244	0.6
62.10859	0.3
62.95970	0.3
67.01164	0.3
67.05163	0.5
67.05499	8.2
69.03436	1.5
69.07061	7.6
70.06575	0.5
71.04991	0.5
71.08626	30.9
72.08974	0.4
72.30702	0.3
73.02913	4.4
75.04475	2.2
79.05474	0.8
81.03416	0.6
81.06568	0.7
81.07051	14.3
83.08617	10.0
85.02900	15.2
85.06541	0.4
85.10176	17.3
87.04446	0.5
88.07607	0.5
89.06031	0.9
91.03951	11.8
91.05466	0.4
93.07038	0.8
95.08601	22.3
96.08946	0.5
97.02887	6.8
97.10172	5.3
99.04449	0.9
99.08120	0.4
99.11734	1.2
102.84738	0.3
103.07582	1.1
107.08604	0.3
109.02860	0.7
109.10147	11.5
111.11692	1.5
115.03936	0.8
117.09118	0.4
121.10126	0.3
123.11699	4.7
125.13246	1.0
127.03908	5.0
136.12097	0.3
137.13237	1.8
145.04948	6.2
151.14821	0.7
163.03938	0.4
163.06003	10.5
165.16374	0.8
221.22635	0.9
239.23677	18.0
240.24109	0.3
256.26337	0.6
257.24677	3.7
298.27472	0.5
313.27335	100.0
314.27588	3.8
331.28394	32.9
332.28729	1.1
334.70840	0.3
401.28964	0.4
457.31641	0.4
475.32574	2.4
537.29706	0.4
544.84210	0.3
625.67145	0.3
637.37640	0.4
672.38019	1.7
673.20697	0.6
673.37701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.4
57.07084	1.2
66.62885	1.2
67.05524	1.3
69.03433	0.9
69.07061	1.6
69.40630	1.0
70.06595	52.1
71.45032	1.0
71.45434	1.2
72.08156	73.2
79.05502	1.6
81.07069	1.8
85.02942	1.6
86.09709	69.3
91.05479	2.5
93.07036	2.4
97.02893	1.3
97.06546	1.2
97.07680	3.9
97.08282	1.0
97.69368	1.0
103.05486	2.9
115.08692	56.9
120.08110	67.4
121.08526	1.1
124.11245	1.5
126.12827	3.0
137.06035	2.0
140.14391	2.9
145.10197	1.4
147.11659	1.4
157.13406	3.8
165.10266	1.8
169.13322	5.0
171.14929	15.9
174.12833	3.1
179.11871	2.5
183.15001	3.3
185.12886	5.0
185.16499	20.3
185.19577	0.9
188.14427	1.9
196.14465	5.5
197.13013	1.2
199.14430	20.1
199.16199	1.5
199.18080	5.9
212.16507	1.1
213.16013	16.8
214.15536	1.6
217.13354	8.2
219.14967	6.6
225.19569	1.1
227.17377	5.7
228.17207	1.4
229.13708	1.3
233.16666	1.7
233.97673	1.0
239.21098	1.5
242.14903	1.1
245.13036	2.3
247.14365	7.3
253.19278	1.4
256.19083	1.6
261.05536	1.5
261.16171	2.1
262.15536	18.9
267.20773	1.5
298.21317	4.1
312.22858	10.9
335.05774	1.7
343.21454	2.3
346.20990	1.1
357.23297	1.4
360.22913	1.6
361.22296	5.0
365.06662	1.6
375.23999	1.7
383.30029	6.5
411.29681	9.0
425.23044	1.4
445.28418	3.1
446.27368	1.5
459.29657	4.1
460.29269	2.0
474.31097	4.3
519.68170	1.2
530.37195	3.6
531.37299	1.6
541.35455	1.1
558.36450	6.6
559.36151	2.8
573.37555	4.4
644.45166	1.9
654.43365	12.3
655.42542	3.8
672.44482	100.0
673.33893	2.9
673.44836	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09246	0.6
56.58426	0.7
69.68225	1.7
81.07066	1.3
91.05515	0.7
93.07056	0.9
98.22713	0.9
105.07010	0.8
113.79151	0.6
119.08601	0.9
159.09253	1.0
163.09160	0.6
189.10327	0.7
209.10783	1.5
215.11731	0.7
222.41789	0.7
223.12305	2.2
224.13257	0.7
225.13924	2.8
235.12404	2.1
237.13895	2.5
238.14581	1.4
239.15494	1.4
247.12331	0.8
249.13875	1.4
251.15601	0.9
261.13849	0.7
263.15448	1.1
265.13242	0.9
276.07629	0.7
276.15036	1.1
279.09976	0.9
279.14914	0.8
318.16040	1.9
326.16547	0.9
350.16550	1.0
352.17441	1.6
353.17987	2.3
354.19473	1.5
363.16907	0.8
364.18176	1.5
365.17853	2.0
366.18765	1.9
367.19434	2.6
379.19336	2.4
380.20377	1.3
381.17065	2.1
381.20883	2.3
382.17816	1.4
391.19354	2.3
392.20233	1.0
393.16641	1.0
393.21088	2.2
394.17819	1.4
395.18259	3.8
396.19516	1.4
397.20425	1.4
405.17123	3.6
407.18646	1.6
408.19788	1.5
409.20230	6.6
410.20938	5.7
411.21744	7.9
419.18799	1.5
420.19650	4.8
421.19989	3.4
422.21396	3.2
423.22360	4.8
424.22989	1.4
425.19122	0.9
425.24121	1.2
426.24591	1.3
433.16016	1.1
433.20990	1.2
437.18701	3.6
437.23920	2.9
438.25095	3.6
439.20999	2.3
439.25684	1.9
447.22272	1.4
448.18723	15.9
449.19519	2.4
449.24268	1.5
450.21118	1.1
451.21524	3.2
452.22562	1.4
453.18701	0.9
453.23715	1.4
454.24039	5.5
455.24799	1.3
461.19598	0.9
465.18579	1.7
465.23151	3.3
466.23898	7.2
467.25183	4.9
468.21115	1.4
469.22394	2.1
475.17535	9.5
476.18649	2.5
477.19308	1.2
479.20819	1.5
480.21527	20.9
480.27911	1.2
481.25983	4.3
482.22943	7.1
483.23810	9.5
484.24640	15.6
489.18814	0.9
492.21878	1.3
493.18680	3.3
493.23416	1.8
494.20059	2.2
495.20084	1.4
496.21021	1.2
497.25903	2.0
498.26407	3.1
504.21219	1.1
506.19495	1.0
507.20035	4.5
508.21378	3.8
509.25052	1.1
510.22733	4.2
511.23526	10.3
520.20831	3.2
521.21832	2.6
525.25049	5.2
526.25861	5.6
536.22632	1.0
537.21344	1.1
538.22174	3.5
539.22852	7.1
540.22681	1.2
543.26398	1.0
548.21106	0.9
549.21228	3.6
552.23450	1.5
553.24475	8.7
554.24591	1.1
566.21393	2.7
567.22754	2.4
568.22656	0.8
570.24500	5.3
571.25641	7.7
580.23151	14.2
581.23492	4.0
585.27087	4.0
586.27844	0.8
595.25989	1.1
598.24121	26.0
599.24878	8.1
613.26514	30.5
614.26636	2.2
623.24890	4.9
626.24030	1.3
641.26050	55.5
642.26373	5.8
655.27319	1.0
673.28595	100.0
673.37689	3.6
674.28925	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89656	1.0
55.46173	1.0
64.10647	1.0
69.25640	1.2
71.46255	1.0
71.46693	1.5
73.78572	1.0
78.06527	1.2
81.07041	1.1
86.09708	4.0
88.91017	1.0
91.05477	1.6
91.23801	1.0
95.08606	1.3
105.07011	1.5
124.99997	1.5
184.07317	10.3
185.07489	1.7
196.09866	1.4
197.10680	1.5
209.10764	1.8
209.43161	1.2
210.11589	2.5
211.08647	1.5
211.12270	1.4
212.09430	1.3
223.08607	1.3
224.09401	1.4
225.10251	5.7
225.13718	5.1
226.10985	1.3
227.08133	4.5
235.08728	1.2
235.12276	1.4
237.10147	2.5
238.10986	2.6
239.08195	2.1
239.11790	5.7
240.12578	3.2
241.09692	2.1
241.13351	1.8
251.08167	1.5
251.11826	4.1
253.09662	3.0
253.13379	31.9
254.13736	1.6
265.13324	1.1
281.09286	3.0
299.10391	2.0
301.12039	1.5
309.08749	3.4
313.11990	4.1
314.12753	1.2
316.10815	1.5
316.14539	1.8
327.09927	1.3
328.14621	1.5
347.21518	1.1
356.13855	1.4
358.16077	1.1
364.13913	1.2
372.17090	3.1
374.14923	5.9
388.16196	5.5
389.17575	5.3
394.14581	1.4
400.16724	6.2
404.19858	20.5
407.10675	1.2
407.15500	1.8
416.16150	1.4
420.15363	1.3
421.12646	1.9
422.13788	1.4
423.14011	1.6
432.19650	6.1
435.14532	2.4
436.14993	1.6
437.16138	3.9
449.15897	1.5
451.17459	7.1
452.17569	1.2
460.19275	2.4
463.17639	2.2
465.23087	2.5
466.19781	1.4
467.20868	2.9
475.21365	2.3
477.15378	1.4
479.20920	1.7
481.22479	3.4
488.19183	1.5
491.19180	1.3
492.21381	38.0
493.21518	5.6
503.20758	3.7
507.20078	6.9
511.19528	2.6
521.21716	8.9
531.20337	2.9
535.23480	2.1
537.24664	1.3
539.23401	6.3
549.21136	9.6
553.24530	5.3
563.22919	2.2
581.23737	11.7
582.23364	1.9
591.22089	1.6
598.23651	2.5
613.16248	2.0
613.26501	41.2
614.26770	5.3
623.24713	6.9
641.26068	100.0
642.26422	13.0
655.27051	2.4
673.28516	25.1
673.39264	4.8
674.29028	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95501	0.1
53.03942	0.3
55.01869	0.5
55.05508	0.3
57.03438	7.9
59.04996	0.2
61.02929	2.6
69.03431	8.4
71.01354	1.3
71.04998	0.2
73.02917	16.3
81.03426	1.2
83.04980	0.6
85.02908	11.3
87.04474	0.7
91.03957	0.3
95.05000	0.3
97.02893	9.4
98.03238	0.2
99.04457	0.5
103.03943	0.6
109.02876	0.8
111.04445	0.3
115.03934	6.2
115.38159	0.1
123.04358	0.1
125.02305	0.1
127.03910	2.2
128.52820	0.1
129.05473	0.1
133.04970	1.2
135.04410	0.2
139.03935	0.3
145.04970	1.3
149.02347	0.2
149.04515	0.3
151.07545	0.2
165.05495	0.3
171.22037	0.1
175.07481	0.1
176.06252	0.1
178.07758	0.4
189.07004	0.4
190.07796	0.2
191.08636	0.2
199.05977	0.2
203.07033	0.2
204.05782	0.2
205.06473	1.1
206.07257	1.4
207.08012	0.5
208.08812	0.2
216.05705	0.4
217.06779	0.4
218.07285	0.5
219.08125	0.9
220.05093	0.2
220.08774	0.3
221.06000	0.4
222.06830	0.2
223.05916	0.1
224.08356	0.2
225.09145	0.1
232.05229	0.3
233.05936	2.0
234.06741	4.6
235.07500	1.8
236.08287	0.6
237.08884	0.1
239.10640	0.1
241.07100	0.2
244.05240	0.4
245.05991	0.2
246.06787	0.7
247.07536	1.3
248.04678	0.2
248.08292	1.4
249.05403	0.5
249.09129	2.9
251.07065	0.7
251.10628	0.8
252.07596	0.2
253.08516	0.3
261.05444	0.8
261.09412	0.1
262.06265	3.0
263.07043	2.8
263.26102	0.1
264.07709	0.9
265.04721	0.1
265.08618	0.7
266.09323	0.3
267.06665	0.1
267.10007	0.5
272.04614	0.1
274.06277	0.8
275.06940	0.7
276.07813	1.2
277.08591	12.0
278.06201	0.2
278.09259	1.3
279.06573	0.5
279.10138	3.0
280.07227	0.3
289.04999	0.3
290.05753	1.3
291.06516	3.7
291.09778	0.3
292.07297	1.3
293.07947	0.6
294.08862	0.9
295.06543	0.1
295.09576	0.8
302.05771	0.4
303.06577	0.3
304.07254	0.5
305.08075	14.2
306.05316	0.2
306.08627	0.9
307.06134	0.2
307.09616	2.9
308.06805	0.2
308.10141	0.2
309.07822	0.2
309.11169	2.1
318.05225	0.3
319.06018	3.7
319.09497	0.2
320.06741	0.8
321.07538	0.6
322.08429	0.2
323.09137	2.4
325.10803	0.7
331.05838	0.1
332.06851	0.2
333.07565	18.2
334.07913	0.8
335.09140	4.4
336.06140	0.3
336.09747	0.2
337.10681	6.5
338.11014	0.3
349.07056	0.6
351.08615	9.6
352.08902	0.4
353.10248	0.2
363.08612	12.2
364.08813	0.6
365.10394	0.2
381.09668	100.0
382.10010	4.1
543.14655	0.2
675.32062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1921
Annotation	Arabelline
Peak:m/z	Relative Intensity
53.03943	0.1
55.01863	0.3
57.03433	5.2
59.04995	1.1
61.02927	0.3
61.90022	0.1
69.03423	17.6
70.74231	0.1
71.01344	0.3
73.02917	0.5
75.04461	0.6
81.03415	0.5
85.02898	12.2
87.04461	9.2
97.02884	10.7
98.03223	0.1
99.04454	0.3
103.03934	0.1
109.02872	0.3
111.04393	0.1
115.03919	9.0
116.04181	0.1
117.05467	0.1
123.04430	0.1
127.03905	0.6
133.04955	7.1
136.07571	0.1
145.04933	0.5
149.02328	0.1
150.09135	0.3
165.05484	0.3
169.04929	0.1
176.06232	0.1
178.07764	0.4
189.06993	0.4
190.07680	0.1
191.08484	0.3
192.05597	0.1
193.06361	0.1
203.06921	0.2
205.06497	0.8
206.07254	1.5
207.07986	0.4
208.08806	0.2
216.05734	0.5
217.06456	0.3
218.07211	0.6
219.04623	0.1
219.08017	0.8
220.05128	0.2
220.08794	0.3
221.05917	0.3
222.06839	0.1
223.07629	0.1
224.08279	0.1
232.05176	0.4
233.05901	1.9
234.06702	4.8
235.07469	1.9
236.08296	0.8
239.10606	0.2
244.05128	0.2
245.05956	0.2
246.06694	0.8
247.07533	1.3
248.04630	0.2
248.08302	1.6
249.05501	0.5
249.09048	2.6
250.06332	0.2
250.09651	0.2
251.07066	0.5
251.10623	1.1
252.07878	0.2
253.04518	0.1
253.08577	0.3
259.07922	0.2
260.04529	0.2
261.05383	0.9
262.06216	2.7
263.06985	3.1
264.07764	1.3
265.05807	0.1
265.08466	0.6
266.09280	0.5
267.10175	0.5
272.04584	0.2
273.05624	0.1
274.06183	0.7
275.04169	0.1
275.06921	0.9
276.04453	0.1
276.07785	1.3
277.05469	0.4
277.08554	11.7
278.05817	0.2
278.09183	1.7
279.06558	0.6
279.10126	2.9
280.07254	0.3
280.10300	0.2
281.08032	0.1
289.04965	0.5
290.05713	1.2
291.06464	3.2
291.09833	0.2
292.07217	1.2
293.07993	0.7
294.08746	0.9
295.09567	1.0
301.11816	0.1
302.05630	0.4
303.06512	0.3
304.07144	0.5
305.08038	15.4
306.05179	0.2
306.08527	1.1
307.06055	0.4
307.09549	3.1
308.06808	0.2
308.10098	0.1
309.07962	0.1
309.11160	2.7
318.05176	0.2
319.05978	4.3
319.09732	0.2
320.06711	0.9
321.07562	0.7
322.08365	0.3
323.09097	2.7
325.10809	0.5
331.05923	0.2
332.06821	0.2
333.07529	19.0
334.07858	0.8
335.05865	0.2
335.09085	4.5
336.06021	0.2
336.09662	0.2
337.10660	7.9
338.10992	0.3
348.06128	0.2
349.07007	0.4
351.08588	11.1
352.08893	0.5
353.10068	0.2
363.08591	13.6
364.08963	0.6
366.07373	0.1
374.10190	0.2
381.09628	100.0
382.09970	3.4
418.13861	0.1
495.12927	0.1
513.13623	0.2
625.22797	0.3
675.29889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82177	0.6
57.07068	1.5
67.05512	1.1
69.07076	0.6
69.77210	0.7
69.77551	2.3
71.08642	1.0
74.38670	0.5
81.07067	0.9
85.02930	0.7
95.08639	0.8
113.01898	0.6
171.94176	0.6
182.22087	0.6
220.49040	0.6
238.56895	0.6
248.79417	0.6
250.59201	0.6
313.27371	1.4
314.27850	1.6
315.27948	1.5
331.28372	1.1
332.28748	0.9
370.10791	1.7
371.11374	0.9
384.11957	3.0
385.12985	10.8
386.13629	4.6
387.14633	1.2
397.13165	2.6
398.13748	6.3
399.14526	20.3
400.15347	53.1
401.15781	7.1
411.14532	1.2
412.15335	7.9
413.16119	16.1
414.16846	19.3
415.17545	4.2
418.17471	1.1
423.14517	0.8
424.15372	1.1
425.16177	1.1
426.16953	2.2
427.18011	10.7
428.18579	15.2
429.12698	1.5
429.19263	42.5
430.13123	1.3
430.19629	4.2
440.18442	0.8
441.15259	2.1
441.19946	1.4
442.15967	4.7
443.12933	5.2
444.14218	11.9
447.20380	1.9
453.15799	0.9
454.16669	1.1
455.17096	17.1
456.17938	6.5
457.14929	3.4
457.19531	2.2
458.15768	6.2
459.16455	4.6
467.13181	1.3
469.14233	1.1
469.19547	0.9
472.17676	5.7
473.18192	20.2
474.18759	2.2
481.15060	1.4
482.15787	1.9
483.16550	8.9
484.15875	0.7
485.17789	1.0
487.16064	4.2
491.19601	1.2
495.16763	1.3
496.17358	1.1
497.17902	0.9
499.16193	2.2
501.17560	10.9
502.18546	4.6
509.14435	0.8
511.20380	0.9
512.20819	0.9
513.30499	1.3
516.23767	7.5
517.24304	0.8
523.15985	1.7
527.15833	2.8
529.21027	0.8
539.19366	8.9
540.19574	6.8
542.20557	0.7
543.22186	6.6
544.23212	33.5
545.24133	3.2
555.18768	2.7
560.22681	12.3
561.22778	1.9
570.20758	2.2
571.21918	35.5
572.22205	14.6
573.20575	2.9
575.25049	3.4
576.25421	0.7
585.23468	1.5
587.21576	6.8
588.22180	100.0
589.22516	11.0
598.20709	0.8
598.85681	0.7
601.22723	2.1
603.24384	7.3
604.24823	0.8
615.21014	8.2
616.21393	6.7
619.24066	5.2
629.22430	13.6
630.22919	1.8
631.23920	10.4
632.23627	1.1
647.23474	6.0
657.21906	11.6
657.69055	0.7
658.22211	1.4
675.22852	14.7
675.35675	7.2
676.22986	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07738	1.0
57.03428	3.7
61.02924	2.0
67.05481	2.0
69.03429	9.0
69.54967	4.7
73.02480	1.9
73.02910	11.9
79.05500	2.3
80.05022	1.6
81.85202	1.0
85.02901	9.8
87.04465	2.2
88.15365	1.1
91.05480	3.0
93.07045	7.8
94.06580	12.7
95.04948	1.6
95.07355	5.2
95.08582	1.5
96.08131	15.0
97.02894	7.4
98.06052	1.7
100.60294	1.0
108.08120	12.9
110.09669	24.6
115.03943	4.1
117.57454	1.1
120.08112	14.8
122.06022	11.2
123.06877	1.2
124.07629	1.6
127.03882	2.1
133.04953	3.0
134.08107	5.0
136.07588	9.1
138.09134	26.1
145.04890	2.3
148.07573	3.0
166.08627	31.5
172.89699	1.2
186.10889	1.2
203.55396	1.1
211.08672	2.9
221.10794	1.8
223.08687	1.2
234.06670	1.8
235.08694	3.0
236.09436	1.9
237.10168	2.3
247.08655	4.1
248.09386	2.6
249.10286	19.3
250.10944	3.7
251.11722	4.7
253.09740	1.2
259.21198	1.2
261.10205	4.1
261.58383	1.1
263.11768	4.4
264.08789	1.4
264.12677	1.8
265.09634	3.5
275.08182	2.3
277.09760	17.3
278.10623	5.6
279.11215	4.7
281.09338	1.4
281.12936	1.1
289.09656	1.5
291.06604	1.5
291.11224	5.9
294.09778	1.3
295.10684	1.3
300.08237	1.0
300.11679	1.7
301.12402	1.1
302.13000	1.3
305.08087	8.9
307.10101	1.8
309.12305	10.0
310.13165	4.2
311.14334	1.6
312.14972	1.2
313.12686	1.3
314.12897	2.6
315.14166	1.3
316.10419	1.4
319.06033	1.5
321.08737	1.6
323.09833	1.7
324.14868	1.8
325.15765	1.7
326.12869	2.7
328.10916	3.1
328.14465	4.0
329.11655	2.1
329.15170	1.3
330.12338	2.2
330.15942	1.6
333.07568	12.6
335.09958	2.3
337.10825	4.4
338.12982	2.3
340.10828	1.5
340.14481	3.6
341.11356	5.2
342.12305	5.8
342.15854	2.6
343.12976	2.7
344.13806	2.2
346.15518	1.6
351.08600	4.4
352.14450	4.8
353.15521	1.3
354.12408	3.9
354.16205	2.3
355.13254	4.4
356.10181	1.3
356.13998	11.3
357.14590	4.5
358.11819	2.8
358.15552	2.0
363.08572	6.7
366.12387	1.9
368.14468	2.1
369.10782	2.3
370.12119	1.8
370.15723	7.4
371.12387	2.6
371.16504	2.1
372.13226	2.8
372.17148	4.1
380.13867	4.0
381.09671	61.6
381.13983	2.1
382.10458	4.6
382.15631	3.8
383.12415	2.6
384.13229	9.4
384.16849	1.1
385.14182	4.0
386.14935	2.4
386.19196	1.8
396.13217	1.2
397.14230	4.7
398.15057	11.7
399.15970	6.6
400.16855	12.4
402.14423	2.8
410.14911	3.2
412.12842	4.0
413.13553	2.2
414.18518	5.4
416.16119	5.3
417.16711	2.3
425.13351	1.7
426.14380	13.9
427.15109	1.2
428.10846	1.5
428.16113	14.5
429.16870	1.9
430.13501	1.8
436.12772	1.5
442.18625	7.8
443.14456	1.6
444.15497	8.4
446.17218	1.2
454.13953	40.6
455.14014	1.2
458.17239	1.5
460.19583	8.7
464.18216	1.4
472.15021	85.5
473.15250	5.5
474.16647	12.2
486.16299	4.4
492.17657	47.0
493.17941	2.8
504.17639	27.5
505.18042	1.7
522.18512	5.2
563.23248	1.5
579.21649	3.0
607.21820	12.8
611.24976	6.0
625.22906	35.1
626.22815	3.1
629.26227	2.7
639.24487	30.7
643.23462	2.5
657.25482	100.0
658.25433	8.4
675.25311	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94983	0.5
54.90077	0.7
63.96459	0.6
67.13436	0.5
67.57904	0.6
92.28911	0.6
123.08521	0.5
132.11885	0.6
286.49258	0.6
450.93823	0.6
454.16379	0.9
468.14658	2.2
469.14804	8.0
470.15851	1.5
471.16492	0.9
479.17581	0.8
481.15494	1.8
482.15836	10.8
483.16663	11.1
484.17505	2.1
495.16763	1.2
496.17612	6.9
497.18182	44.1
498.18756	5.7
499.19757	1.0
510.18744	2.9
511.19693	4.5
512.20618	1.6
515.19482	1.7
528.16589	1.9
534.09192	0.6
538.20728	1.3
541.17371	0.6
542.17822	3.0
555.18884	1.6
556.19421	4.1
557.20404	3.9
571.21716	1.0
616.21417	1.7
631.38049	0.7
643.23950	9.7
644.14899	0.5
644.24738	11.6
645.25153	1.0
657.25372	7.8
658.25256	1.1
675.26593	100.0
675.39520	6.3
676.26837	8.4
676.38849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31991	0.2
53.44313	0.2
55.73655	0.2
58.20919	0.2
70.09717	0.5
74.75353	0.2
92.84763	0.2
135.29149	0.2
185.04179	1.0
203.05373	0.3
256.13232	0.2
259.07941	0.4
301.17880	0.2
333.17709	0.2
347.09485	1.1
351.25153	0.3
421.13437	0.2
513.30396	22.9
514.30969	1.2
675.35596	100.0
676.35974	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21763	1.1
65.37423	1.3
67.05518	2.0
69.80317	2.5
69.80710	2.8
69.98491	1.2
79.05497	4.0
81.07050	3.4
85.02877	2.2
91.05480	2.7
93.07027	3.2
95.04974	1.7
95.08575	2.7
97.06544	1.6
98.23349	1.3
98.85785	1.3
99.53907	1.3
105.07041	3.6
107.08612	3.1
109.10177	1.6
112.57068	1.3
117.07076	1.5
119.08598	1.5
133.10092	2.4
145.10057	1.9
147.11729	2.0
159.11612	1.3
163.95232	1.3
166.08659	1.2
241.19427	1.4
246.99072	1.2
259.20575	5.0
279.14413	1.9
349.19870	100.0
350.20361	5.2
351.25180	3.4
381.09644	2.5
404.97336	1.4
431.18863	3.5
543.08264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01862	0.6
55.05469	0.6
68.09312	0.6
69.03431	4.4
69.96512	1.5
73.02923	0.6
81.03411	1.7
85.02908	3.2
87.00852	0.6
97.02893	6.3
105.01869	0.7
109.02856	1.2
113.36439	0.6
127.03924	1.9
145.04985	2.0
149.91560	0.7
233.05949	1.0
234.06761	0.9
235.07506	1.0
244.06877	0.6
247.07597	0.8
248.08446	1.4
249.05525	1.2
251.07040	0.9
261.05380	0.7
262.06363	0.8
263.07034	2.4
264.07788	4.7
265.08603	0.9
275.07019	0.8
276.07883	4.1
277.05038	1.7
277.08630	1.7
278.06567	0.5
278.09348	2.7
279.06552	1.6
279.09921	1.3
289.04984	1.5
290.05661	1.6
291.06573	3.1
292.07181	4.6
293.08191	1.3
294.08856	2.4
304.07184	3.7
305.04434	3.2
305.08069	4.3
306.05579	0.6
306.08682	2.8
307.06000	2.7
307.09619	1.7
309.11200	3.7
315.02823	1.0
319.05951	1.5
320.06772	16.5
321.07523	5.0
322.08319	4.3
333.03964	3.6
333.07272	1.1
334.08392	2.3
335.09097	32.2
336.09833	8.8
337.07181	1.2
337.10666	11.2
348.06219	10.6
349.06805	1.3
350.07843	1.5
351.08704	1.9
352.09399	6.5
356.35437	0.6
361.07034	2.1
362.07758	0.8
363.08627	32.9
364.09329	1.2
366.07184	1.1
366.11063	2.9
367.07895	1.0
367.11789	13.9
368.12244	0.8
378.07495	3.0
379.08057	2.2
380.09061	1.4
381.09653	33.8
382.09937	1.1
393.09671	11.0
394.10205	1.4
396.08246	1.2
411.10715	100.0
412.10965	3.4
676.43115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03939	0.9
55.01884	0.3
56.47413	0.2
69.03423	0.8
70.38838	0.4
79.01849	2.1
81.03424	1.0
85.02896	1.1
87.00814	0.3
97.02881	0.6
107.01320	4.4
109.02879	2.8
112.36843	0.2
127.03932	0.4
137.02339	60.6
137.12196	0.2
138.02655	0.6
146.43057	0.2
151.07591	0.3
172.05153	1.7
182.95297	0.3
185.05896	0.3
186.06711	0.3
187.07559	0.4
195.08020	0.3
199.07549	0.6
205.06505	0.2
206.07138	0.3
207.07919	0.3
214.06242	0.3
215.07022	1.1
219.08067	0.4
223.07600	0.6
229.08652	2.0
230.09389	5.6
231.06519	4.0
233.06047	0.3
234.06779	0.4
235.07521	1.3
235.09599	0.5
236.08298	0.4
237.09128	0.6
238.09793	0.4
243.06589	0.3
245.08072	3.2
246.06696	0.5
247.07573	0.6
249.09041	1.2
250.06412	0.5
250.09828	1.2
251.07065	1.9
251.10670	0.3
252.07614	0.3
257.08032	1.6
259.06052	0.5
262.06287	0.7
263.06967	2.0
264.07739	0.6
265.08694	0.6
266.09354	1.0
267.10330	0.3
273.07516	0.6
274.08392	12.5
275.06848	0.3
277.05606	0.3
277.08548	2.3
278.05771	0.4
278.09372	1.5
279.06555	1.8
279.10074	0.9
280.07187	0.3
281.08145	0.3
281.11798	0.4
282.08719	0.3
283.09698	1.6
289.08704	0.2
290.09384	0.4
291.06528	2.1
291.09674	0.3
292.07260	0.5
293.08041	1.1
294.05521	0.4
294.08890	1.5
295.09641	0.3
297.11261	0.2
303.06506	0.3
304.07285	0.6
305.04669	0.3
305.08005	3.2
306.08856	10.4
307.06015	2.4
307.09442	0.7
309.07639	0.5
309.11166	4.9
311.09088	0.6
318.08997	0.7
319.06116	0.6
320.06830	0.8
321.07535	2.5
321.10849	0.3
322.08340	3.8
323.09152	0.7
325.10638	0.9
333.07465	0.5
334.08447	0.6
335.05569	0.6
335.09198	1.8
336.06161	0.4
336.09924	4.7
337.07263	0.3
337.10703	5.5
348.06372	0.5
349.07013	1.3
349.10699	0.4
350.07767	1.2
351.08710	0.8
352.09457	1.3
353.10196	3.5
361.07028	0.5
362.07935	1.2
363.08597	2.2
367.11768	3.7
369.09692	0.4
376.09402	0.6
378.07465	0.8
379.08304	0.8
381.09732	4.0
393.09946	1.1
411.10730	100.0
412.11072	3.6
435.10614	0.3
623.01074	0.2
676.31836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01867	1.1
55.05512	2.6
56.76510	0.4
57.03432	2.7
61.02924	6.9
67.05508	6.0
67.18017	0.4
69.03419	2.5
69.07063	1.2
70.06608	0.8
71.01348	0.5
71.05004	1.0
73.02921	2.1
73.66555	0.4
75.04476	0.9
79.05490	6.1
81.03416	63.4
81.07055	5.3
82.03758	1.4
83.04982	2.9
83.08621	17.4
84.93152	0.4
85.02911	9.1
85.06542	0.6
86.09710	0.5
91.03957	6.4
91.05470	8.0
93.07043	4.0
95.01360	0.5
95.04967	23.0
95.08611	1.5
97.02884	6.3
97.06553	1.0
97.10167	1.0
99.04462	0.9
103.03965	0.5
105.07029	5.8
107.04958	5.2
107.08578	3.1
109.02872	1.7
109.06505	2.2
109.10166	1.8
111.04443	2.1
111.08081	8.6
114.12823	0.7
115.03883	0.7
117.06969	0.5
119.04967	0.8
119.08582	6.7
121.06506	1.6
121.10127	4.2
123.04433	2.6
123.08092	0.6
123.11736	0.6
125.09569	0.5
127.03893	2.8
129.07002	6.3
131.05035	0.4
131.08571	6.0
133.06505	2.3
133.10146	3.0
134.08141	0.5
135.04506	0.5
137.05986	1.3
137.09592	2.1
142.07753	1.1
143.08611	0.6
145.04936	2.7
145.10086	1.1
147.04446	1.6
147.08037	3.2
147.11688	5.3
149.06009	0.7
149.09608	3.4
151.03885	1.8
151.07504	0.5
151.11145	0.6
153.09245	0.5
155.08713	0.4
157.10117	8.8
161.09596	1.5
163.03938	0.5
163.06018	6.3
163.11169	1.4
165.09143	1.0
165.12756	1.2
173.09557	0.6
175.11185	11.3
177.05553	0.5
189.12708	0.7
193.12239	55.3
194.12592	2.0
204.40508	0.6
207.10167	0.8
207.13846	0.6
211.13304	3.6
217.12100	0.9
225.11255	0.6
235.13293	3.1
259.13324	1.6
267.15909	24.8
268.16464	1.0
273.14850	1.2
285.16959	100.0
286.17239	4.3
299.18588	1.3
301.14145	1.2
309.16946	14.0
310.17218	0.9
319.15457	0.7
325.11121	0.5
327.18024	4.3
351.17966	3.0
363.17947	5.5
369.15460	0.9
375.18024	2.6
393.19009	3.1
411.20065	2.0
429.21078	1.7
677.20630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68550	0.3
78.23692	0.3
85.02934	0.4
91.05506	0.3
111.04225	1.4
132.22084	0.3
151.07613	0.4
159.04202	0.7
172.03984	0.5
174.06551	1.2
189.05225	25.3
190.05595	0.5
203.76930	0.4
204.06573	0.5
214.18112	0.4
248.85329	0.4
269.64166	0.4
340.12878	0.6
413.15802	3.2
414.16470	0.5
427.17599	0.6
428.18042	2.7
429.18835	24.9
430.19461	0.8
591.24091	3.1
627.24329	0.4
633.25092	19.8
634.25098	1.3
648.09094	0.4
676.45667	0.4
677.24097	100.0
678.24359	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23164	0.4
67.05497	1.1
69.66959	0.4
70.19541	1.1
79.05503	1.2
79.21570	0.4
80.05016	1.1
82.06571	1.1
89.03930	0.9
91.05433	1.0
93.05753	0.6
93.07058	2.7
94.06559	4.9
95.07345	3.0
96.08132	5.5
103.05485	0.7
106.06554	1.0
107.07331	0.5
108.04477	1.6
108.08109	9.7
110.06043	0.7
110.09668	10.3
116.04961	2.5
118.06539	0.5
120.04453	2.8
120.08096	7.3
122.06021	4.3
123.06776	0.9
124.07590	7.5
134.06010	2.0
136.03996	0.5
136.07570	7.8
138.05475	0.8
138.09132	11.5
144.04424	4.7
146.05989	5.1
148.07576	4.2
152.07077	1.8
160.03893	2.5
160.07550	0.8
162.05460	3.0
164.07083	1.8
166.08623	12.2
172.03929	15.6
174.05518	2.3
176.07036	3.6
184.09888	0.5
185.10701	0.7
186.09119	0.8
188.07140	0.8
190.04974	15.8
190.06638	0.9
191.05484	0.4
196.10103	0.5
197.07169	0.6
197.10805	1.5
197.63513	0.5
198.09250	1.1
198.11674	0.6
199.08670	1.1
199.12289	0.6
200.09436	0.7
201.10269	0.8
204.06554	26.5
205.06935	0.9
207.09090	0.5
209.10770	0.5
211.08521	1.0
211.12399	0.5
212.09392	1.0
213.10210	3.8
214.10974	0.6
215.11790	1.9
216.01782	0.5
221.07193	0.5
223.08759	1.2
224.09450	1.3
225.10242	2.0
226.08730	1.1
226.10922	0.6
227.11801	1.8
229.09822	0.7
229.13290	1.1
235.08743	0.9
236.09415	1.6
237.10199	2.2
238.11020	1.4
239.11801	1.3
241.09692	3.6
243.11279	10.0
249.10294	1.9
250.11018	0.7
251.08139	0.8
251.11792	2.2
252.08975	0.8
253.09737	1.9
254.10577	1.1
255.11272	2.4
256.12103	0.7
257.12827	1.2
259.10654	0.6
263.08133	0.9
263.11740	0.8
264.08923	2.6
265.09775	2.3
266.10138	0.6
267.11331	1.8
269.09250	3.3
269.12546	0.7
271.10736	2.4
273.12292	5.1
274.13254	0.6
274.63281	0.5
277.09769	2.0
278.10437	0.8
279.11212	2.7
280.11938	0.7
281.09424	0.9
281.12918	1.3
282.09790	0.5
283.10776	4.3
284.11441	0.9
285.12305	23.6
286.12778	0.7
287.10266	6.7
294.10007	0.5
295.10858	0.9
296.11469	0.5
297.12253	7.1
299.10367	1.7
299.13950	3.3
301.11758	2.9
302.12659	1.5
303.13370	21.7
304.14139	1.6
305.09094	0.9
307.10800	1.8
309.12210	0.9
311.10327	1.3
313.11981	1.1
314.16574	1.0
315.10559	0.5
316.10895	0.9
316.14450	1.3
318.16135	0.8
323.10236	4.9
325.11798	29.4
326.12283	2.0
327.13660	3.6
328.14441	1.2
329.11475	1.6
329.15115	1.2
330.12366	1.9
330.16043	0.8
331.13574	0.9
332.14151	0.7
333.14627	0.6
337.11871	0.7
339.13763	0.7
340.14563	0.9
342.12476	1.0
342.16180	0.9
343.12732	3.7
344.14023	2.6
345.14789	0.9
346.15576	2.0
353.11575	0.5
354.12305	0.9
355.13196	0.7
356.10342	0.8
356.14148	1.0
357.14456	12.4
358.12079	0.7
358.15585	5.1
359.12671	0.6
367.13547	0.7
368.14063	1.1
369.14868	0.6
370.11917	1.7
370.15891	0.7
371.12744	2.1
372.13324	3.2
372.17337	0.8
373.14191	1.6
374.14957	2.4
376.16718	0.8
382.10614	0.6
382.15671	0.6
383.12646	0.6
384.13193	0.9
385.14163	2.3
386.14929	8.1
386.19174	0.7
387.15906	3.0
388.12692	0.9
390.18439	0.6
392.15958	0.7
394.17575	0.7
396.13672	1.6
400.12393	0.7
400.16995	1.0
401.13651	1.2
402.14459	1.7
402.18765	0.8
403.15173	0.8
404.16037	5.0
406.17422	2.1
410.15091	1.7
412.16641	1.3
413.14493	0.9
414.14459	9.8
415.15253	14.8
416.15854	3.0
417.17038	0.7
418.17535	1.6
420.15469	4.4
426.14429	0.9
428.16119	2.6
429.17087	0.6
430.17905	2.8
432.15381	11.0
433.16135	1.6
438.14249	2.3
444.15506	3.3
445.16693	0.8
446.17133	2.9
456.15460	7.8
457.15628	0.6
462.16507	12.1
463.17285	0.7
464.18256	1.9
474.16574	29.3
475.17184	2.2
476.18338	1.8
488.18140	0.8
494.19293	2.0
506.19144	8.2
507.19812	0.9
557.23438	0.5
559.24939	0.5
565.23688	0.5
567.21606	0.9
568.23425	0.5
581.23999	2.5
583.25531	3.1
585.23383	4.3
599.24854	3.6
609.23291	10.1
610.23401	0.8
623.24200	0.5
627.24414	100.0
628.24646	9.5
641.25891	2.8
642.25812	0.6
645.26227	0.8
659.27045	5.4
660.26764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05516	0.6
70.06579	1.2
79.05504	1.2
80.05009	1.1
81.03380	0.8
82.06583	1.0
83.08625	0.6
85.02921	0.9
91.05489	1.6
93.05797	0.8
93.07045	2.9
94.06554	3.6
95.04951	0.9
95.07341	1.7
96.08135	5.6
105.48851	0.6
108.04484	0.8
108.08115	6.0
110.06053	1.0
110.09676	9.7
116.05009	0.7
119.08592	0.6
120.04465	1.1
120.08100	7.9
122.06029	1.3
124.07604	3.6
133.02869	1.0
133.06381	0.6
134.05988	0.8
134.50041	0.5
136.07587	7.6
137.05986	0.6
138.09142	13.0
144.04431	0.9
146.06027	1.6
148.07579	2.4
150.09203	1.0
151.07571	0.9
152.07019	0.6
158.17622	0.6
160.03937	0.8
162.05435	0.9
164.07133	1.0
166.08614	13.4
172.03941	3.8
177.05516	0.9
190.04955	3.7
204.06570	7.8
208.07780	0.6
211.08757	0.9
221.10696	1.3
222.11455	0.8
223.12277	1.4
225.10167	1.0
227.11954	0.7
233.10817	0.7
235.08669	3.3
236.09450	2.4
236.13225	0.7
237.10210	8.2
237.13876	0.8
238.10963	5.9
239.11766	3.0
241.09845	0.6
243.11301	2.4
247.08694	3.3
248.09378	3.8
249.10205	10.1
250.11023	15.3
251.11749	11.5
252.12413	1.4
253.09753	0.9
253.13397	0.9
254.10364	0.7
261.10184	5.2
262.10995	5.2
263.08575	1.3
263.11774	24.3
264.08972	2.5
264.12479	2.7
265.09747	4.9
265.13391	1.8
266.10437	1.1
267.11316	2.6
269.09323	0.9
271.10623	0.9
273.12354	1.3
277.09610	4.4
278.10510	1.8
279.11276	23.7
280.11826	2.1
281.09299	1.3
281.12762	2.7
282.10065	2.0
283.10828	2.0
283.14154	0.7
285.12350	5.0
287.10379	1.0
289.09772	2.7
290.10565	1.1
291.11243	8.5
292.11920	1.4
292.24808	0.6
293.09653	1.2
293.12946	2.2
295.10733	2.9
295.14102	1.2
296.11487	1.4
297.12320	4.4
299.13989	1.3
303.13416	3.6
305.09094	1.2
307.10788	11.9
308.11438	0.9
309.12283	8.8
311.10342	0.6
311.13840	2.8
313.12134	1.0
317.09305	1.1
319.10715	2.0
321.12088	0.7
323.10236	2.1
323.13937	3.2
325.11804	8.3
327.13730	1.8
328.14374	1.2
329.15121	1.3
330.16156	0.8
335.10233	7.3
336.10950	1.7
337.11771	9.8
338.12454	0.8
339.13467	1.8
342.15985	2.7
343.12921	0.8
344.13907	0.9
351.13174	0.6
353.11386	1.1
355.12881	12.9
355.16934	1.2
356.13608	2.5
356.17545	0.7
357.14474	10.2
358.15335	1.6
367.12851	20.2
368.13541	2.4
369.14511	4.3
370.15494	2.0
371.12421	0.8
372.13358	1.4
372.17670	0.8
373.13699	0.7
375.19113	1.0
382.15747	1.0
386.14819	1.7
387.15692	1.3
400.16583	1.4
402.18439	1.3
403.18848	5.6
404.15768	1.3
410.15640	0.8
414.14523	2.2
415.14932	3.1
416.15573	0.8
428.15820	1.0
429.17072	0.8
430.17609	0.9
432.15378	2.7
447.17725	1.0
448.18362	0.8
456.15591	2.1
460.18695	2.7
462.16119	1.3
474.16541	5.2
488.18356	5.4
489.18808	0.8
490.19687	5.1
492.17834	2.6
494.22809	1.6
502.20175	0.8
506.19260	6.5
520.20764	100.0
521.21271	13.7
522.22308	42.8
523.22656	4.4
524.29315	0.6
538.21680	5.8
539.22198	0.7
585.23962	0.7
609.22931	3.1
611.74951	0.6
627.24414	20.9
628.24829	2.0
633.25543	0.8
641.25323	2.2
645.25568	2.1
659.27185	1.6
676.47522	1.2
677.23621	5.2
677.49176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41651	0.9
65.03967	1.0
66.91267	0.8
69.40012	4.1
79.05498	2.3
81.07112	0.9
85.02917	1.8
86.09707	1.0
88.07670	0.9
89.03897	1.1
91.05508	1.8
93.05817	0.9
93.07061	2.7
94.06587	5.0
95.07367	2.0
96.08128	7.2
97.17693	1.0
98.22770	1.9
105.07071	1.1
106.06567	1.4
108.04496	1.7
108.08130	9.0
110.09689	9.3
111.12635	1.0
114.16783	0.9
116.05004	2.9
118.06609	1.1
120.04491	2.9
120.08112	8.7
122.06043	4.8
124.07647	2.0
134.06042	2.7
135.04384	1.0
136.07584	7.6
137.05978	1.1
138.09148	10.6
144.04462	8.8
145.02885	1.6
145.10107	1.2
146.06026	21.9
147.06453	1.0
148.07574	3.0
152.07057	1.5
154.08678	1.0
156.17923	0.9
158.09715	0.9
160.03964	3.2
160.07591	2.9
162.05464	4.7
163.03960	5.6
164.07103	2.0
166.08643	14.2
169.08400	1.0
172.03943	46.0
174.05568	1.9
174.09140	1.1
176.07117	3.5
177.05524	1.6
186.05626	1.1
186.09276	0.9
188.07112	3.1
190.05016	12.6
190.08955	1.0
192.06665	1.2
198.09189	2.8
198.73950	1.0
202.08788	1.1
204.06575	100.0
205.06912	2.9
211.08662	1.3
212.09444	1.5
213.10312	2.4
215.11841	3.4
216.06490	1.4
224.09538	1.5
225.10344	2.2
226.08655	2.0
227.11815	2.6
236.09509	1.7
237.10294	2.5
238.11006	1.3
239.11690	1.7
241.09727	2.0
243.11264	15.2
249.10408	1.6
253.09645	1.9
255.11244	3.1
257.09314	1.3
257.12970	1.5
259.10895	1.0
261.12424	6.3
264.08896	1.5
265.09625	1.8
267.11420	2.0
269.09131	1.3
269.13052	1.3
271.10776	1.4
273.12366	5.0
277.09698	1.9
279.11383	2.1
281.12860	1.2
283.10880	3.5
284.11548	1.6
285.12372	10.8
287.10315	5.6
290.12988	1.2
295.10806	1.6
297.12308	5.5
299.13992	3.2
301.12018	2.2
302.12738	1.9
303.13416	37.1
304.13959	1.1
309.12350	1.4
312.14563	1.0
316.10803	1.3
316.14462	1.2
317.15320	1.3
318.09592	1.2
321.11429	0.9
321.14471	24.6
323.10196	3.0
325.11862	10.4
327.13733	1.9
329.11459	1.6
329.15094	2.2
330.12381	2.0
337.07458	1.5
339.13562	1.3
342.12375	1.1
343.13461	1.7
344.13956	2.2
345.15076	1.1
346.15643	1.2
347.16156	1.5
357.14471	28.8
358.11661	1.2
358.15372	4.4
361.14398	1.1
361.70062	1.1
371.12665	2.7
372.13342	2.7
373.14029	1.5
374.14862	2.7
376.16733	1.4
385.14325	1.9
386.15015	7.6
387.15686	4.0
394.17346	1.4
400.12592	1.3
402.14194	1.7
403.15250	1.0
404.16043	3.3
406.17700	2.8
414.14529	9.5
415.15234	16.3
416.15814	2.8
418.17697	2.8
420.15573	3.6
428.16077	2.2
430.17734	2.0
431.18829	1.0
432.15530	12.8
438.15143	1.5
446.17209	2.3
456.15823	4.8
462.16718	7.9
472.18518	1.8
474.16614	23.3
475.16986	1.7
476.17883	2.1
488.17728	1.7
494.19254	2.8
506.19150	13.0
520.20801	1.1
583.25269	2.0
585.23413	2.9
599.24933	1.5
609.23297	7.3
617.33136	1.8
627.24493	77.9
628.25079	6.9
641.25494	1.8
659.27167	15.5
660.27643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05494	0.5
62.28130	0.2
67.05488	0.5
69.28019	1.3
71.03582	0.3
78.92117	0.3
79.05468	0.4
79.39817	0.3
81.07021	0.4
87.04410	0.3
89.03883	0.4
93.05729	0.3
94.06560	0.6
95.04954	0.4
97.02918	0.4
97.06490	0.9
102.67228	0.2
104.53717	0.2
105.01653	0.3
105.07015	0.4
107.07290	0.5
108.04459	0.5
108.08115	4.1
110.06025	1.2
116.04932	1.4
120.08077	0.5
122.06018	3.0
122.09652	0.7
124.07573	0.5
124.87189	0.3
134.05974	0.5
136.07523	1.0
137.05881	0.3
144.04430	2.5
144.08080	0.3
145.10083	0.3
146.05971	0.6
148.07506	0.7
149.07176	0.5
149.08325	1.0
150.05493	1.5
150.09128	3.1
151.07503	0.7
152.07039	1.5
156.08165	0.3
158.09610	0.8
159.06718	0.4
159.11642	0.3
160.03909	0.6
160.07603	1.3
160.09900	0.5
162.05511	1.1
164.07018	0.4
170.09633	0.5
172.03923	11.2
172.07553	0.6
173.04292	0.3
173.08421	0.5
173.10808	0.3
174.05493	0.5
174.09109	0.4
175.08617	1.0
175.12286	0.8
185.08327	0.4
185.10765	0.3
186.09145	5.0
187.08643	1.2
188.07010	0.7
188.09361	0.7
190.04956	1.7
196.07552	0.9
198.05479	0.4
198.09259	0.5
199.12520	0.3
200.06963	0.7
200.10643	1.6
201.10205	0.6
202.08679	0.5
202.10982	3.0
203.08066	0.3
203.11772	5.8
204.06551	13.7
205.06918	0.5
210.09142	0.4
212.07277	0.4
212.09143	0.3
212.10919	0.3
213.10219	2.2
214.08618	9.7
215.08157	4.8
216.08827	0.7
216.12415	0.3
217.09694	1.0
217.13336	0.3
218.10339	0.4
227.07985	0.5
227.11743	1.0
228.10170	3.2
229.09612	2.3
230.10449	1.0
231.11270	5.0
232.11583	0.4
241.09700	2.4
242.08127	1.7
243.11308	0.4
245.09186	1.2
245.12801	1.0
247.10707	1.6
255.11264	4.7
256.09616	3.3
256.11710	0.3
257.09204	0.6
257.12781	1.1
258.09998	0.5
259.10764	75.1
260.11060	2.6
271.10745	0.9
273.12283	5.7
277.04889	0.3
281.12698	0.4
283.10800	3.3
287.10229	0.5
301.11801	55.3
302.12234	1.7
309.12247	3.2
310.12677	0.3
315.04984	0.4
319.12863	100.0
320.13211	4.1
327.13315	0.8
335.12274	0.9
337.13916	22.6
338.14258	0.7
341.14951	1.5
342.15698	0.4
381.09528	0.5
383.10214	0.4
486.16476	0.9
504.17679	0.5
508.16949	0.4
510.18607	0.3
631.27618	0.6
641.26099	0.8
659.27124	6.6
660.27527	0.5
677.29736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16511	0.2
69.95661	0.5
88.46965	0.2
98.22767	0.2
98.23357	0.3
115.76831	0.2
120.55589	0.2
123.33141	0.2
131.44427	0.2
145.89905	0.2
185.04163	0.7
203.05251	0.2
259.07895	0.8
328.42834	0.2
347.09406	1.4
353.26898	0.2
365.10092	0.2
421.12988	0.4
515.31934	27.5
516.32166	1.1
677.37177	100.0
678.37463	6.4
678.49219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03940	1.0
54.91158	0.4
55.01869	1.2
55.05506	11.7
57.03436	5.6
57.07073	3.6
59.05000	0.5
61.02921	24.7
65.03934	2.5
67.05500	67.3
69.03101	0.5
69.03426	3.9
69.06702	0.8
69.07063	12.1
69.26128	1.6
71.04992	2.8
71.08637	0.8
73.02913	8.7
73.78445	0.4
75.04482	0.9
76.67467	0.4
77.03920	1.2
79.05486	41.1
81.03418	1.6
81.07050	74.0
82.07393	0.9
83.04980	1.1
83.08615	6.6
85.02897	27.0
85.06525	2.7
85.10162	0.8
91.03951	27.5
91.05470	23.0
93.07038	54.1
94.07361	0.5
95.04959	4.6
95.08600	55.4
96.08930	0.9
97.02887	12.3
97.06519	2.9
97.10159	3.1
99.04455	1.5
99.08097	2.1
101.02360	0.6
103.03932	0.7
103.05457	0.6
105.04503	1.7
105.07024	19.0
107.04970	0.6
107.08587	34.4
109.02861	1.0
109.06509	1.9
109.10147	34.9
111.08058	1.5
111.11708	1.0
113.09625	1.4
115.03924	1.2
115.05408	0.6
117.05484	0.5
117.06272	0.8
117.07016	8.8
119.06097	0.5
119.08569	16.4
121.10136	33.9
122.10449	0.5
123.08059	1.0
123.11699	17.3
125.09634	1.8
127.03005	0.7
127.03906	9.1
127.11134	0.6
130.07677	0.6
131.08556	21.4
133.10115	13.4
135.07962	0.5
135.11684	28.9
136.12027	0.5
137.09589	1.8
137.13252	6.5
139.11174	1.1
143.08498	0.6
145.04953	13.3
145.10104	16.2
147.11673	12.7
149.09631	1.0
149.13242	24.8
150.13622	0.6
151.11215	2.1
151.14810	2.2
153.12698	1.7
157.10136	0.7
159.10356	0.7
159.11685	14.8
161.13237	11.7
163.06003	20.4
163.11185	1.0
163.14815	14.7
165.12701	2.9
165.16312	0.5
167.14243	0.7
170.34996	0.4
171.11609	0.7
173.13240	14.3
175.14836	4.0
177.12738	1.4
177.16368	5.7
179.14291	3.1
185.13203	0.6
187.14793	10.1
189.16315	1.0
191.14284	1.8
193.15860	0.6
201.16414	3.6
205.15851	1.7
215.17937	1.6
219.17383	1.3
233.19000	0.6
233.22604	3.8
234.22702	0.4
243.21068	36.8
244.21288	1.3
261.22113	100.0
262.22455	3.9
263.23633	1.3
279.23154	3.1
317.24530	0.6
335.25772	17.6
336.26086	0.8
340.90271	0.5
349.78067	0.4
352.01706	0.4
353.26834	37.8
354.27222	2.2
369.24036	0.5
419.27347	0.4
435.73862	0.4
497.30847	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01867	1.3
55.05256	1.1
55.05508	12.2
55.46495	0.6
56.67812	0.6
57.03439	6.4
57.07076	3.9
61.02924	17.6
65.03934	2.0
67.05502	76.0
68.05805	0.9
69.03437	3.1
69.07063	12.5
69.84688	1.8
71.04984	2.9
71.08604	1.4
71.75147	0.6
72.80249	0.6
73.02914	6.0
75.04471	1.1
77.03936	0.9
79.05490	41.7
81.03403	1.5
81.07053	85.6
83.04977	1.8
83.08610	7.4
85.02901	20.1
85.06532	3.3
85.10194	0.7
91.03374	1.2
91.03952	19.1
91.05473	21.8
92.05738	0.6
93.07042	56.9
95.04958	4.8
95.08601	66.1
96.82236	0.6
97.02902	8.9
97.06523	2.7
97.10164	3.7
98.22771	1.0
99.04464	1.2
99.08061	3.4
103.03948	1.3
105.04539	1.7
105.07028	17.8
107.08587	35.3
109.06504	2.0
109.10149	36.4
111.08086	1.9
111.11743	0.8
113.09665	2.0
115.03915	0.6
115.05376	0.7
117.07018	8.2
117.68496	0.6
119.08570	16.9
121.10139	32.3
122.10482	0.9
123.08072	1.7
123.11700	19.1
125.09623	1.7
127.03924	6.3
129.05481	0.6
129.07024	0.6
131.08562	15.8
133.09175	1.1
133.10129	14.6
135.07942	0.9
135.11690	27.1
136.11995	0.8
137.09608	1.9
137.13234	7.4
139.11185	1.6
145.04953	9.1
145.10110	15.5
147.11685	13.5
149.09610	1.1
149.13242	20.1
150.13550	0.8
151.11197	2.1
151.14795	2.6
153.12729	1.5
159.11693	14.4
161.13266	10.9
163.05991	9.4
163.11163	1.1
163.14812	15.2
165.12769	2.7
167.14339	0.9
173.13239	15.5
175.14833	4.3
177.12709	1.9
177.16380	5.1
179.14255	3.0
187.14833	8.3
191.14273	1.5
201.16397	4.1
205.15831	2.5
215.17972	1.9
219.17403	1.3
233.22647	3.5
243.21082	35.0
244.21298	0.9
251.16330	0.8
261.22116	100.0
262.22379	3.7
263.23666	1.3
279.23212	5.6
291.19406	0.7
317.24768	1.0
330.62329	0.7
335.25778	33.4
336.26221	1.0
353.26846	37.2
354.26974	0.7
369.13666	1.9
369.24271	0.7
432.38629	0.7
443.28030	0.7
479.30234	1.0
497.31094	6.1
659.32764	0.8
677.33051	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2973
Annotation	1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin
Peak:m/z	Relative Intensity
53.03942	1.4
53.21024	1.0
55.05504	8.4
56.13142	1.1
64.00733	1.1
67.05515	1.9
70.06591	2.8
74.97913	1.1
78.31754	1.0
79.05490	3.6
80.05026	2.0
82.06578	4.7
83.04988	1.3
83.08625	6.9
84.08160	1.3
85.02901	1.5
87.71862	1.0
91.05505	3.9
93.05776	1.5
93.07032	6.2
94.06582	8.2
95.04951	2.2
95.07370	4.0
95.08613	1.5
96.08136	14.2
97.06545	2.3
98.09724	1.4
98.23472	1.9
100.07616	3.0
100.11253	41.2
103.05478	1.4
106.06569	5.6
108.08121	17.0
110.06039	3.5
110.09679	23.2
111.04462	7.3
112.07623	2.4
118.06578	1.6
120.04501	3.5
120.08109	18.4
121.06539	1.4
122.06067	8.6
124.07597	10.3
127.08721	1.4
128.07076	3.4
132.08124	1.5
134.06015	2.5
136.07568	19.3
137.06015	1.5
138.05479	1.5
138.09135	36.8
138.10144	2.3
139.08653	2.8
140.07072	3.2
144.04466	5.4
145.02969	1.4
146.05992	19.5
146.09680	2.6
148.07552	13.5
150.05533	1.1
150.09137	8.0
152.07063	17.7
156.06583	1.1
160.03986	1.5
160.07623	2.7
162.05563	2.8
164.07063	8.6
166.08633	71.8
167.09038	1.2
172.03934	26.3
172.07555	1.6
173.04375	2.2
176.07077	2.1
177.05507	2.9
182.08182	2.4
182.09740	1.2
182.15408	19.2
190.04996	20.2
190.06616	1.5
197.10791	2.0
198.11520	3.6
199.12418	1.6
204.06548	38.3
205.06999	5.3
209.10780	2.8
209.16505	19.5
210.11581	5.1
210.14885	19.9
211.12381	6.1
212.13068	1.7
213.10310	1.7
218.08179	4.6
220.09961	1.6
222.11531	2.6
223.08778	1.3
223.12311	7.1
224.13069	1.4
225.10251	6.1
225.13908	1.9
226.11072	4.1
226.19113	3.0
227.11707	6.9
227.17566	2.3
228.15967	2.6
235.08682	4.0
235.12489	2.3
236.09474	4.5
237.10216	8.9
237.13972	2.9
238.10951	6.3
239.11798	14.1
240.12637	1.6
241.13466	2.5
243.11208	2.1
245.12848	1.2
246.07675	1.7
248.09528	2.2
249.10295	14.1
250.08438	1.8
250.10901	8.8
251.08180	1.7
251.11771	19.0
252.09160	2.0
252.12550	6.2
253.09778	3.5
253.13344	6.9
255.11295	2.2
256.12119	2.3
257.12875	3.2
259.14374	2.2
261.09827	1.2
262.11124	2.6
263.11768	33.7
264.08929	4.9
264.12485	5.4
265.10223	9.0
265.13260	16.8
266.10492	3.5
266.13910	1.1
267.11292	13.4
268.11960	1.4
269.12750	6.5
271.10886	2.4
271.14563	4.1
273.12399	4.3
275.11880	2.4
276.08862	1.8
277.09753	5.1
278.10538	5.0
279.11288	34.2
280.11990	3.4
281.12811	16.7
282.10080	2.6
282.13361	1.6
283.10910	5.5
283.14053	1.3
284.11533	4.1
285.12347	15.7
287.13937	3.8
291.11258	28.5
292.11951	7.1
293.12805	29.6
294.10013	1.5
294.13242	1.2
295.10690	6.9
296.11633	2.7
297.12332	52.5
298.13019	4.7
299.13916	26.4
300.14432	1.5
303.13486	2.6
304.08554	1.6
304.13910	2.1
305.14844	1.9
307.10794	3.3
309.12299	35.3
310.13000	2.3
311.10672	2.2
311.13959	10.1
315.13376	22.9
316.14297	1.2
318.15939	1.9
319.10696	19.7
321.12296	6.6
323.10291	7.6
323.16107	4.0
324.11151	1.6
325.11789	33.1
326.12332	1.8
326.28101	2.7
327.13449	3.0
332.13449	1.2
336.22836	1.9
337.11801	94.8
338.07547	1.5
338.12308	4.6
339.13501	4.5
341.11127	2.8
343.12985	4.1
355.12939	2.9
357.14450	11.7
358.15143	2.1
369.14633	6.9
371.16046	2.5
373.13913	3.2
390.18100	1.5
392.19678	1.5
401.13263	8.2
402.18228	2.1
404.19922	2.2
416.15494	2.7
417.16000	1.3
420.19516	1.3
430.17618	3.2
432.19638	2.0
433.16034	1.6
434.16360	2.4
435.33713	1.4
438.20514	1.6
444.19196	1.5
446.20752	3.8
448.18668	1.8
449.19528	2.7
450.20169	4.8
452.36191	1.7
458.17117	4.0
462.20209	10.3
464.21997	65.5
465.22458	3.8
472.18820	4.4
476.18112	6.6
477.19263	1.8
482.19287	3.4
490.19730	100.0
491.20029	7.3
492.21136	2.6
494.19177	1.4
508.20786	12.2
514.22125	3.1
522.22351	64.6
523.23010	6.6
587.25275	3.7
603.27637	2.7
611.25006	10.2
619.27905	1.7
629.25684	25.5
630.25800	1.8
643.27740	1.8
647.27039	54.2
648.27203	2.4
661.27850	3.1
661.50635	7.6
679.17548	2.0
679.29449	12.5
679.51111	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99884	0.5
64.54275	0.3
76.94439	0.3
77.00929	1.0
79.05525	0.4
80.02401	0.3
81.07063	0.6
82.28104	0.3
95.01945	0.3
103.34278	0.3
106.97604	0.3
107.04719	0.3
110.12074	0.3
127.33091	0.3
163.07391	0.3
166.13377	0.3
178.09650	0.4
185.06624	0.4
197.10193	1.4
201.09752	0.7
213.09837	0.5
215.11259	2.8
219.13644	0.8
223.11926	0.4
225.13432	0.6
227.11316	0.7
231.10201	1.2
233.12547	0.3
235.11829	1.0
239.11388	0.6
241.12971	0.6
243.14426	1.8
247.13124	1.3
249.59181	0.3
253.12860	4.4
253.15372	0.3
257.12521	0.4
261.15372	0.4
263.11435	0.5
264.12158	0.3
271.13861	2.8
281.12564	0.9
283.13794	0.3
289.21429	0.9
305.20877	0.6
315.18176	1.2
331.22238	0.4
333.19156	4.9
347.21979	0.4
351.21359	100.0
352.21811	2.2
369.21143	2.9
392.22787	0.8
454.30496	4.0
454.98016	0.3
455.31216	1.3
455.37085	0.3
470.29919	3.2
471.30743	1.8
481.29233	1.3
498.29480	4.5
499.30176	2.8
516.30695	0.5
517.31012	0.4
617.36530	2.4
633.35986	3.3
661.35455	9.0
662.35468	0.6
679.36340	31.2
680.36682	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.21524	0.8
55.01861	1.7
55.05256	1.5
55.05505	16.7
57.03438	6.6
57.07074	12.3
61.02922	25.4
65.03929	1.6
67.05499	87.0
68.05824	1.4
68.46449	0.7
69.03412	3.3
69.07061	24.8
71.04982	3.8
71.08624	7.6
73.02905	9.0
75.04491	1.0
79.05044	1.2
79.05486	22.8
81.03407	1.6
81.07050	96.8
82.07365	2.5
83.04965	1.8
83.08614	21.3
85.02899	32.5
85.06523	3.0
85.10165	3.0
91.03376	1.6
91.03950	31.6
91.04935	1.3
91.05474	18.6
93.07034	28.5
95.04941	2.1
95.08598	86.3
96.08928	1.4
97.02882	14.1
97.06525	8.4
97.10163	15.5
99.04448	1.3
99.08080	5.2
103.03922	1.1
105.07028	13.5
107.08578	19.3
109.02909	1.1
109.06501	1.1
109.10150	41.4
110.10461	1.7
111.08062	4.7
111.11707	4.5
113.09631	3.1
115.03909	1.6
115.07547	1.2
117.05509	1.1
119.08569	17.0
120.08054	0.7
121.10135	26.2
122.10421	0.9
123.08060	1.8
123.11694	24.0
125.09604	1.9
125.13258	1.8
127.03900	11.6
127.11140	1.2
133.10117	16.8
135.11679	13.8
137.09601	2.5
137.13239	9.9
139.11159	1.4
141.12749	3.7
145.04951	13.5
147.11652	12.6
149.13245	13.9
151.11179	1.6
151.14784	7.3
153.12636	1.2
155.14313	4.0
159.11655	1.1
159.61812	0.7
161.13239	18.3
163.06001	22.2
163.14792	12.3
165.12778	1.7
165.16373	10.8
165.72005	0.8
167.14310	2.3
175.14786	12.1
177.16350	1.7
179.14288	2.1
179.17928	9.7
181.15846	1.8
189.16382	4.8
193.15826	1.4
203.17889	1.5
207.17401	0.9
217.19560	1.7
245.22626	78.5
246.22949	3.1
247.24110	1.0
263.23679	100.0
264.24063	5.0
265.25247	2.5
281.24771	1.7
308.34769	0.7
330.65790	0.8
337.27335	50.4
338.27679	3.2
355.28397	5.4
499.32190	1.4
547.83698	0.8
679.25092	1.0
679.51459	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.0
67.68292	0.6
77.00887	0.8
94.68906	0.6
97.06475	0.9
100.11222	0.6
104.65705	0.5
120.78819	0.6
158.45079	0.5
177.05527	0.7
180.96173	0.7
182.15506	0.5
215.11279	0.8
243.14462	1.3
253.12788	1.0
269.12259	1.5
271.13947	1.9
281.85522	0.6
317.19702	0.8
335.20807	1.5
349.19830	37.6
350.20145	1.9
351.20779	3.2
352.21591	1.2
353.22937	100.0
354.23276	4.2
369.21356	0.8
371.22626	1.7
381.76785	0.7
679.32306	1.8
679.42981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38164	0.4
70.73707	0.3
72.23645	0.4
77.00941	0.8
81.07123	0.5
100.11271	0.5
103.51497	0.4
107.04771	0.5
173.06589	0.4
185.06598	0.7
197.10269	1.2
201.09781	0.5
213.09718	0.6
215.11308	2.5
219.10117	0.4
219.13512	0.5
223.11729	0.5
225.13408	0.7
227.11337	0.6
227.64091	0.4
231.10168	0.9
233.12314	0.5
235.11790	0.5
239.11441	1.0
241.12985	0.5
243.14488	1.6
245.12326	0.4
247.12999	0.6
253.12878	5.0
257.12488	0.8
261.15543	0.7
263.11139	0.5
271.13879	2.7
276.14413	0.5
281.12381	0.7
291.33981	0.3
305.20926	0.5
308.61649	0.4
315.06815	0.6
315.18509	1.3
333.19110	3.9
351.21371	100.0
352.21680	3.2
369.21143	2.9
392.22766	0.5
454.30438	2.4
455.31186	0.9
470.30106	1.3
471.30823	0.7
481.29132	0.9
498.29510	3.2
499.30493	2.7
517.31097	0.5
617.36285	0.9
633.36017	2.2
661.35431	7.8
662.35876	0.6
679.36279	27.3
680.36798	3.1
690.96924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30214	0.3
55.01863	0.7
55.05502	1.0
57.03438	2.6
58.21833	0.3
61.02917	1.1
69.03434	4.7
69.60921	1.0
70.41547	0.3
71.01341	0.8
73.02548	0.4
73.02917	5.1
79.05482	0.5
81.03419	0.7
81.07040	0.3
82.06560	0.5
83.08608	1.1
83.24052	0.3
85.02907	6.3
86.36965	0.3
87.04446	0.6
91.05490	0.9
93.07000	0.4
95.01311	1.9
97.02895	5.5
98.22697	0.5
99.04464	0.4
100.11254	5.3
103.05483	2.2
105.07020	1.6
109.02885	0.7
110.05999	0.6
111.04416	1.3
115.03966	2.8
115.05451	11.7
116.05757	0.4
117.07017	17.6
119.08517	0.6
125.02356	5.6
127.03892	1.4
127.05467	0.6
128.06226	3.2
128.07088	0.7
129.07002	26.1
130.07312	0.5
131.04927	9.2
133.04971	0.8
133.06479	1.9
133.10159	0.4
135.04414	5.3
143.04927	12.3
145.05023	0.9
145.06483	9.9
145.10110	0.9
146.08170	0.4
147.04341	0.4
149.05872	0.3
155.04898	1.1
155.06026	1.4
157.05145	0.5
157.06479	10.7
159.04420	13.5
159.11650	0.4
161.05975	7.8
171.04390	12.8
171.05583	0.8
172.04953	0.5
173.05984	15.5
173.09624	0.6
174.06520	0.7
175.07507	1.3
182.15416	2.7
185.05980	8.2
187.02319	0.6
187.03905	7.0
187.07532	0.7
187.11287	0.4
188.04498	0.7
189.05473	3.3
190.59229	0.3
191.07068	0.6
199.03900	9.5
199.05756	0.5
200.04570	0.7
201.05464	22.6
202.05927	0.5
203.03421	2.3
205.12331	0.4
209.16434	1.6
210.14891	3.2
213.05441	0.5
215.10741	0.8
217.04953	8.2
219.06465	0.5
228.15961	0.6
229.04951	15.3
230.05322	0.5
231.06522	35.7
232.06721	0.7
233.11699	0.4
247.06010	100.0
248.06339	2.6
327.08768	0.4
353.38702	0.3
369.09561	2.0
409.11163	3.1
438.46973	0.4
453.34164	0.4
653.69104	0.3
662.48529	0.5
679.50983	1.8
680.37659	0.3
680.49707	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25591	1.0
53.03939	2.7
55.01860	4.1
55.05501	7.9
55.06650	0.9
57.03419	2.8
57.07087	2.1
61.02905	2.8
65.03919	1.4
67.05500	17.2
69.03425	19.7
69.07061	5.8
69.22765	4.4
69.29830	0.9
71.04977	3.2
72.61211	1.0
73.02904	1.5
78.50916	0.9
79.05484	17.6
81.03413	13.0
81.07050	100.0
82.07390	1.7
83.04974	1.2
83.08606	3.7
85.02895	50.8
85.06535	1.5
87.00824	21.3
91.05472	12.1
93.06445	1.4
93.07037	24.7
94.64540	0.9
95.04945	7.0
95.08595	45.1
97.02887	21.6
97.06528	2.9
97.10154	5.3
98.23430	1.9
99.04447	6.4
100.11248	3.2
103.03932	0.9
105.01860	56.3
105.07018	40.8
107.04919	1.3
107.08585	33.0
109.02863	13.6
109.06504	2.6
109.10137	14.5
111.04456	1.5
111.08059	2.2
113.05966	2.4
117.01899	1.2
117.07014	3.4
119.08568	62.2
120.08925	1.1
121.06467	2.5
121.10130	15.6
123.04369	2.2
123.08055	4.1
123.11695	30.5
127.03908	30.8
128.06180	1.2
129.06981	1.2
131.08568	5.5
133.06488	1.2
133.10118	33.2
135.04417	1.1
135.08080	5.3
135.11679	22.0
137.05922	1.2
137.09657	1.4
139.07515	2.1
141.07018	1.2
142.07784	1.3
143.08560	2.8
145.04941	17.9
145.10117	4.7
147.07990	3.4
147.11668	16.7
149.09575	1.3
153.05428	1.2
153.09099	5.1
154.15378	1.1
157.10107	6.2
159.02847	4.2
159.11685	11.0
161.09601	5.3
161.13239	46.3
162.13597	1.4
163.07523	1.9
165.09111	1.3
169.10156	1.5
171.11644	1.6
173.09531	2.2
173.13133	2.3
175.11183	3.2
175.14790	1.4
179.10654	2.7
180.08658	2.4
183.11693	1.6
185.05933	4.8
185.09544	0.9
185.13219	1.4
187.14777	1.5
189.03954	2.3
189.16368	99.4
190.16740	2.2
195.11702	1.2
197.13243	2.0
199.14812	6.1
201.12770	1.5
201.16389	2.3
210.14842	1.7
212.78185	1.0
213.03864	2.7
213.16344	1.2
215.14436	2.1
217.15869	24.7
231.04953	18.0
231.17220	1.2
233.15382	1.7
235.16910	69.1
236.17285	1.9
245.02695	1.1
247.16896	1.6
249.06033	22.8
259.16901	2.5
271.16904	1.3
277.17984	1.3
301.17828	2.0
303.10812	2.0
307.17007	1.8
323.09384	1.0
325.18048	6.2
343.19064	4.6
351.08548	1.2
361.19901	5.8
379.21002	4.2
399.03336	1.2
403.21100	1.2
414.25119	1.4
429.18842	1.6
447.20325	4.9
465.21149	3.4
679.50092	2.7
680.51093	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55454	1.0
53.03969	1.7
55.01872	1.3
55.05509	10.8
57.03439	4.7
57.07070	2.2
61.02631	2.1
61.02930	28.6
67.05508	42.0
69.03432	3.2
69.07079	8.4
70.78265	2.0
73.02913	7.8
78.40504	0.9
79.05495	31.6
80.91948	1.2
81.03390	1.4
81.07063	52.8
83.04971	1.5
83.08627	5.2
85.02910	28.7
85.06536	1.2
91.03961	23.0
91.05482	18.6
93.06451	2.1
93.07046	43.0
95.04967	4.2
95.08608	51.0
97.02903	13.2
97.06525	2.4
97.10207	2.7
99.08109	3.1
100.11264	1.6
105.07032	18.5
107.08598	38.6
108.08907	1.5
109.10166	30.8
111.08106	2.9
115.03965	1.3
117.06998	8.0
119.08579	14.3
121.09277	1.4
121.10152	28.7
123.08051	1.5
123.11712	11.6
125.09674	1.6
127.03928	8.7
131.08572	16.3
133.10138	14.0
135.11699	27.0
137.09641	2.7
137.13268	4.1
139.11179	1.9
145.04964	14.9
145.10139	19.6
147.11684	14.0
149.13268	19.5
151.11209	2.6
159.11697	15.9
160.12015	1.2
161.13254	4.2
163.06023	23.3
163.11235	1.5
163.14841	8.9
165.12758	1.9
173.13239	12.4
175.14940	1.7
177.12735	1.6
187.14859	4.4
191.14394	1.2
201.16394	3.5
215.98438	1.0
219.21121	2.6
228.15930	1.5
229.19507	38.1
230.19815	1.3
246.17015	2.3
247.20584	100.0
248.20886	3.8
249.22115	2.6
254.16283	1.1
265.21649	2.6
291.19604	3.8
321.24231	17.6
322.24765	1.3
339.25320	57.2
340.25626	2.3
355.25522	1.3
483.29279	1.7
506.09933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07104	0.6
70.40482	1.5
81.07052	1.2
93.07039	0.8
97.06544	0.7
105.07016	0.7
148.02521	0.6
149.33463	0.7
164.39096	0.6
174.41820	0.7
182.44753	0.6
210.14839	0.6
231.10031	0.7
234.63678	0.7
320.96817	0.6
432.08203	12.2
433.08942	54.0
434.09283	1.7
456.31943	4.3
461.08435	3.4
472.31866	1.3
483.30701	0.8
500.30963	2.3
501.31897	1.4
518.31964	0.9
595.14026	10.3
596.14178	0.7
619.37933	4.1
635.36957	1.0
637.15228	80.8
638.15656	4.9
663.37000	9.8
680.37146	0.8
680.50684	1.1
681.14191	100.0
681.38116	27.8
682.14514	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75776	0.5
55.22766	0.5
62.17233	0.5
67.05482	1.2
69.07040	1.4
70.06583	1.0
71.12412	0.5
84.08147	0.7
85.02893	0.7
94.06587	3.7
95.04939	0.8
97.06484	0.9
110.06015	1.3
122.06040	9.1
124.07556	1.0
140.07057	10.1
144.04395	1.7
146.05997	5.8
150.05466	2.0
151.03874	0.7
152.07086	2.7
158.09741	0.6
159.04199	7.1
160.07571	1.9
162.05376	0.7
172.03928	9.6
172.07524	0.9
173.04659	1.2
174.05493	4.5
174.09105	1.0
175.08742	0.7
175.12300	0.7
186.09140	4.2
187.08664	0.9
188.09425	1.2
189.05182	1.6
191.05705	0.7
196.07567	0.9
198.09196	1.3
200.07031	0.7
200.10710	1.1
201.10114	0.7
202.08913	0.7
202.10960	2.8
203.11823	5.5
204.06552	14.4
206.08128	6.6
213.10233	1.9
214.08606	10.0
215.08168	4.4
215.11746	0.6
217.09734	0.9
227.07996	0.8
227.11746	1.4
228.10231	4.4
229.09749	3.3
230.10419	1.2
231.11285	5.3
241.09724	2.3
242.08231	3.0
243.11195	1.0
245.09286	3.0
247.10654	1.0
255.11259	4.8
256.09744	2.8
257.09085	1.1
257.12787	1.1
259.10773	79.9
260.11093	2.3
271.06104	2.7
271.10754	1.9
272.11475	0.7
273.12329	5.9
283.10779	4.0
284.09213	0.8
285.12308	1.1
287.10147	1.2
300.15857	0.8
301.11810	63.6
302.12140	2.3
313.11804	5.7
314.54776	0.7
319.12878	100.0
320.13095	3.4
322.10199	1.9
331.12863	1.4
335.12164	1.7
337.13916	28.7
338.14301	0.7
345.14526	4.4
414.16254	1.3
487.56949	0.6
505.18219	1.0
508.17392	1.3
533.07965	0.7
576.21484	0.8
649.24060	0.8
663.26794	5.0
681.27148	13.2
682.28552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.2
69.56853	0.6
69.57243	0.6
70.61139	0.3
75.27609	0.3
79.05503	0.3
80.93748	0.3
81.07038	0.6
85.02946	0.3
95.08609	0.3
109.10165	0.3
133.06564	0.3
135.04445	0.6
143.71326	0.3
151.07523	0.5
177.05496	0.3
177.09236	0.2
185.04269	0.7
259.07999	0.3
269.13562	0.3
275.07321	0.4
290.09341	0.3
331.10089	1.6
339.15967	0.3
431.18948	2.9
468.86542	0.3
501.28326	0.9
519.29315	3.6
653.34546	0.6
663.33160	1.9
681.34528	100.0
682.34930	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94900	0.3
67.05506	0.3
69.80452	0.6
79.05502	0.4
85.02920	0.4
90.70190	0.2
91.05492	0.3
98.23409	0.4
105.07047	0.2
119.08606	0.3
127.03927	0.3
135.04454	0.5
143.81480	0.3
151.07516	0.4
177.05524	0.3
185.04240	0.8
259.07904	0.4
275.07397	0.4
331.09933	1.3
339.15891	0.8
345.11334	0.4
373.14618	0.3
431.18890	3.3
501.28064	0.6
519.29187	3.6
653.34973	0.4
663.33069	2.0
681.34491	100.0
682.34845	6.2
687.09180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.0
60.12988	0.4
60.61511	0.4
67.05469	1.4
69.07037	0.5
71.45666	0.5
79.05453	1.3
81.07023	1.8
81.67249	0.5
91.05473	1.1
93.07012	0.9
95.04973	1.1
95.08572	1.0
98.22878	0.9
101.86440	0.5
105.07011	0.9
107.08566	0.7
114.66879	0.5
115.37830	0.6
119.08547	1.4
126.69775	0.5
131.08553	0.8
143.08531	0.5
145.10106	0.6
147.11642	0.8
159.11644	0.5
163.03886	1.9
171.32216	0.5
190.13528	0.8
210.14832	1.0
228.15842	0.5
232.76833	0.5
233.40680	0.5
235.13026	0.9
259.06119	0.8
269.10553	0.9
273.07834	0.8
275.20071	1.2
277.07031	0.8
289.07233	2.1
291.08792	29.0
291.19565	1.9
292.09161	1.0
292.19888	1.8
307.08270	1.4
309.09729	0.9
313.10886	2.4
320.09155	0.5
329.13724	0.7
331.11801	2.4
333.20361	23.9
334.20636	1.6
348.93814	0.6
349.17676	2.6
353.14072	0.9
371.15958	100.0
372.16190	4.2
389.16223	2.3
419.22281	4.8
437.23218	2.3
471.20184	2.2
485.21921	7.8
501.21613	1.1
540.92657	0.6
543.26031	0.6
565.27704	1.4
569.27521	2.8
583.29236	17.7
584.29791	1.4
599.28668	1.8
623.32568	1.0
663.36133	1.0
681.36487	94.2
682.36810	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55780	1.9
55.01874	6.9
55.05512	38.7
67.05505	27.9
69.03420	2.4
69.07061	12.5
69.59469	1.9
71.46722	2.1
79.05502	21.0
81.03423	3.2
81.07056	26.3
83.04972	4.7
83.08619	29.1
91.05471	21.1
93.07043	22.7
95.04967	49.0
95.08597	26.7
97.06541	5.0
97.10149	5.5
97.23328	2.3
105.07028	14.6
107.04958	7.4
107.08582	15.5
109.06519	8.2
109.10179	13.3
111.08081	8.3
117.06998	8.1
119.08585	14.7
121.06551	3.8
121.10128	17.6
125.09646	6.6
129.06998	6.3
131.08559	11.4
133.10139	8.7
135.08043	5.3
135.11673	8.8
137.09660	2.3
145.06458	3.3
145.10085	11.7
147.08083	5.9
147.11694	4.2
149.09641	16.6
149.13217	3.1
159.04456	5.3
159.11670	7.7
161.02357	4.1
163.03886	31.2
163.11176	20.2
165.12744	3.3
173.02374	10.3
173.13333	2.5
175.03964	3.3
185.05942	3.8
187.03905	7.5
187.14890	3.4
189.11182	3.4
199.03906	8.9
201.05484	4.7
213.05501	8.5
223.13194	11.4
229.19672	4.1
257.18921	11.6
267.13651	12.3
273.18570	2.7
275.20081	62.4
276.20758	18.6
283.13315	3.5
293.11768	2.5
293.21109	14.1
305.10342	3.8
311.12756	5.4
325.14532	2.7
334.06750	2.8
355.15674	2.9
371.15555	15.1
372.15851	15.7
390.16806	2.7
391.22745	8.6
393.24255	18.4
401.20966	4.6
419.22186	41.8
437.23236	100.0
438.23529	10.2
455.24210	9.1
506.88788	2.4
570.51123	3.0
646.34369	4.3
664.35229	7.4
682.36523	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.307
Annotation	Swietephragmin C
Peak:m/z	Relative Intensity
50.80676	1.0
52.02220	1.2
56.47623	1.1
60.14948	1.0
60.30410	1.2
64.09441	1.1
64.43383	1.1
67.05487	2.2
69.87881	3.3
69.88255	1.8
75.04463	4.4
79.05482	1.5
84.83577	1.3
85.06535	1.2
88.76660	1.1
93.07046	1.7
119.08570	1.3
134.05991	8.2
172.03946	1.9
178.04993	1.2
204.06630	1.7
211.08650	1.7
223.08693	2.8
223.12131	1.3
225.10234	2.5
235.08545	1.2
236.09552	1.6
237.10197	2.4
239.11790	2.1
240.12468	1.4
249.10252	3.7
249.13921	1.4
251.08134	4.8
253.13435	1.6
255.14880	3.0
263.11905	1.8
265.09903	1.7
265.13290	2.5
277.09674	1.4
309.12247	1.6
313.11890	1.3
314.50299	1.2
323.10358	1.3
326.12650	1.3
333.20306	2.2
337.11838	4.1
340.14581	1.3
354.15683	1.4
368.13950	1.4
384.17078	1.3
396.13312	1.3
403.15143	1.7
405.16754	1.5
417.17221	1.9
418.18051	2.0
428.16138	1.6
429.17197	1.8
430.17877	1.2
433.20401	3.4
443.14459	1.7
457.15808	1.8
461.19626	3.6
472.19012	1.3
473.19571	2.6
475.21399	1.7
489.19495	4.3
503.20731	3.6
517.18323	3.5
521.21606	3.4
529.19391	1.4
531.20013	2.0
533.21674	2.5
535.22870	2.5
545.21423	1.9
547.22864	1.5
548.23871	4.6
549.21973	3.7
559.23499	2.1
561.21405	2.0
576.23523	5.6
577.23840	4.4
580.22742	4.2
591.25739	5.0
598.05505	1.4
607.24823	2.0
609.26648	3.2
619.25195	4.6
623.28302	4.2
636.25256	7.8
637.25189	1.8
651.28070	100.0
652.28766	12.6
653.26062	1.8
683.30304	73.3
683.44330	40.9
683.56348	2.1
684.30798	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28144	0.3
51.96901	0.3
62.76026	0.2
63.23079	0.2
69.70842	0.8
77.00907	1.3
95.01928	0.4
139.32698	0.2
159.67595	0.2
187.08122	0.4
197.10297	1.0
201.09671	0.6
207.18535	0.2
213.09703	0.7
215.11250	2.3
223.11826	0.6
225.13364	1.1
227.11320	0.5
231.10809	0.9
233.12393	0.7
235.11736	0.4
239.11310	0.6
241.12837	0.5
241.59410	0.3
243.14395	2.8
253.12865	5.0
261.15463	0.5
271.13873	3.5
272.14148	0.4
279.13403	0.3
300.62088	0.3
317.19644	1.7
335.20645	6.1
336.20972	0.4
353.22931	100.0
354.23279	3.5
358.21902	0.4
362.64313	0.3
371.22760	9.2
372.22845	0.4
394.24158	1.1
565.35437	0.3
665.45282	0.3
683.34991	1.3
683.45569	3.4
684.46143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48548	0.4
51.87511	0.5
53.03946	3.0
55.01863	4.9
55.05502	4.1
56.05822	1.4
57.03439	2.7
61.02930	2.6
65.03917	0.7
67.05479	0.8
68.99763	1.5
69.03426	11.3
69.07015	0.5
69.37744	1.7
69.38147	1.2
70.06544	0.5
71.05006	2.8
71.05327	0.7
73.02926	2.6
73.03240	0.4
77.58620	0.5
79.05494	4.9
81.03414	22.7
81.07052	2.6
82.06554	0.7
83.01310	0.6
83.04948	0.8
83.08628	2.7
84.08921	1.5
85.02901	30.5
85.06535	0.8
87.00821	11.4
87.04453	0.6
91.03925	0.7
91.05446	2.0
93.07013	1.7
94.54763	0.5
95.04944	2.0
95.08576	1.5
96.63925	0.5
97.02890	13.9
99.04443	6.0
99.09929	0.5
100.07596	0.9
100.11253	14.0
101.07950	0.7
101.10929	0.7
101.11572	8.5
102.04590	0.5
102.11909	0.8
103.05432	1.4
105.01855	8.9
105.03378	0.7
105.07005	2.0
106.04152	0.8
106.49915	0.5
107.04945	10.2
107.08554	2.3
108.04452	1.6
109.02184	0.9
109.02874	13.2
109.10138	0.7
111.04409	1.7
112.04742	1.1
112.07518	0.6
115.05424	5.6
117.01823	2.1
117.07010	14.6
119.08559	1.6
121.06471	0.6
121.10136	1.2
123.04429	3.7
123.11601	0.7
124.05189	2.2
126.05486	1.5
126.09122	0.7
127.03914	21.3
127.05320	0.8
128.04233	0.6
128.07068	0.8
129.01802	1.5
129.06966	2.8
131.04903	1.2
131.08559	4.5
132.05629	0.6
133.06464	1.4
133.10112	0.7
135.11647	0.9
137.05991	0.6
140.07060	0.6
141.06944	1.4
143.04932	1.2
144.05670	2.6
145.04953	9.2
145.06459	32.9
146.06755	0.9
147.02855	1.1
147.04469	0.6
147.08058	1.4
149.05920	0.8
149.13251	1.3
152.04652	1.1
153.05495	1.0
155.05992	6.1
155.07042	0.7
156.05675	6.0
157.06462	2.5
158.07135	0.5
159.02893	8.0
159.04216	1.0
159.08028	6.9
160.05182	1.1
161.05989	4.3
163.03908	0.9
167.07030	51.5
168.07405	1.0
169.06392	1.2
169.07657	1.0
172.05219	0.6
173.05972	65.8
174.06468	1.6
175.03864	0.7
175.07513	2.6
177.05467	1.8
178.06258	0.6
179.06956	0.6
181.04951	1.3
181.08569	0.9
182.15427	3.5
183.06477	1.4
183.15742	3.5
184.05168	2.0
184.15974	1.8
185.05963	0.7
186.06639	0.7
187.07541	6.6
189.05345	0.6
190.06235	35.6
191.06892	2.6
193.08609	1.4
195.06462	1.3
201.03796	0.6
201.05473	0.9
202.06213	4.0
203.07033	7.1
203.08847	0.9
204.07843	1.0
205.08588	100.0
206.08847	2.6
207.06479	1.8
207.10175	1.2
209.16508	2.7
210.14864	3.1
210.16840	3.6
211.15195	4.3
211.17140	2.4
212.05548	0.6
212.15448	2.7
213.03912	0.9
213.15756	1.4
215.06993	1.4
217.08583	44.5
218.09064	1.5
219.07997	1.4
219.10176	4.8
219.17401	0.6
220.08736	0.6
221.18921	1.1
223.09584	3.5
226.19057	0.6
227.19427	0.7
228.19881	0.7
229.08623	0.8
231.04996	4.2
231.07957	1.3
231.10136	0.9
235.09627	29.6
247.07439	1.7
247.09653	9.0
248.08130	2.9
249.05966	0.7
249.08885	0.7
249.11220	1.3
254.05579	0.8
259.07559	1.0
261.09097	0.6
262.09894	1.1
263.07089	0.7
263.10745	2.3
264.07886	1.4
265.10718	46.7
266.11115	1.2
269.08157	1.5
271.09659	2.0
275.07019	1.0
276.07742	1.8
277.08682	0.7
279.10059	1.6
281.08160	0.6
282.08698	0.8
290.09286	1.3
291.10129	2.6
293.08087	1.1
295.09796	0.7
299.09186	1.2
301.06897	0.6
305.08151	0.9
306.08389	0.6
307.09555	2.0
308.10391	1.0
310.08423	0.7
311.12759	0.6
315.08606	8.2
319.09708	1.0
321.07446	0.8
323.12878	2.1
324.09741	0.6
325.10965	0.7
327.28271	0.7
328.28693	0.8
330.10934	15.3
331.11725	4.5
336.09769	0.6
337.10376	1.2
339.12366	1.7
341.10315	1.3
342.10641	0.7
343.11398	2.0
351.12155	4.1
352.12912	1.2
353.10193	0.8
356.12482	0.7
368.12415	1.5
369.13300	2.8
371.14807	3.3
383.14859	17.0
384.15015	0.6
385.16446	0.9
401.15927	23.3
402.16357	1.1
665.51270	3.8
683.52179	27.5
684.51996	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26786	1.1
51.13445	1.1
55.01871	2.8
57.03433	4.7
59.23293	1.5
61.02927	33.3
68.95651	1.0
69.03432	10.6
69.06799	0.9
70.40543	1.7
71.05026	1.2
73.02917	12.7
73.04755	1.4
80.23122	1.1
81.03415	2.9
85.02904	84.2
91.03957	51.5
91.05804	2.1
97.02254	1.7
97.02892	35.5
99.04456	3.4
101.02378	1.3
103.03923	2.3
109.02864	7.4
112.89590	2.1
115.03922	2.5
127.03915	45.6
129.97934	1.1
145.04959	54.9
163.06018	100.0
193.30577	0.9
221.55333	1.0
222.38800	1.1
233.30881	1.0
289.09137	2.8
297.49527	1.0
313.00742	1.2
325.11273	35.5
325.15067	1.8
373.05817	1.0
423.23285	1.2
599.96765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01873	1.4
55.05509	7.3
57.03436	2.4
57.07071	2.8
59.05004	1.5
60.98016	0.9
67.05499	10.9
69.03432	9.1
69.07067	9.9
70.74649	1.1
71.04984	13.5
73.02924	1.5
79.05487	15.2
80.10506	0.9
81.03424	3.6
81.07051	69.2
83.04977	1.1
83.08598	6.0
84.39771	0.9
85.02904	18.2
85.06545	1.3
87.00811	5.5
91.05470	6.9
93.07041	28.6
93.07605	2.1
95.04958	3.0
95.08598	41.7
97.02907	6.2
97.06541	2.7
97.10161	2.5
99.04447	1.8
99.08083	3.0
103.05504	1.2
105.01850	13.7
105.02436	1.3
105.04531	1.0
105.07021	36.0
107.08583	43.6
109.02860	6.7
109.06522	2.0
109.10149	41.7
110.10514	1.3
111.08049	2.4
111.11748	3.1
113.09654	2.6
115.03965	1.3
117.07000	1.9
119.08570	52.3
120.08891	1.1
121.10136	13.6
123.08063	1.2
123.11695	19.7
125.09628	5.0
127.03905	11.0
127.10226	2.4
127.11176	33.6
128.95689	1.1
129.01790	1.0
130.21091	0.9
131.08546	3.2
133.10121	29.2
135.11681	65.9
136.11949	1.2
137.05991	2.2
137.09595	1.5
137.13249	5.8
139.11145	1.3
143.08514	0.9
143.10664	24.6
143.11746	1.9
145.04956	6.0
145.10135	3.0
147.11667	25.8
149.13237	8.4
151.11188	1.3
151.19191	0.9
153.12737	2.6
157.10185	1.9
157.12149	1.4
159.11671	3.7
161.13245	14.0
163.06046	1.5
163.14813	4.5
165.12685	1.8
171.11703	2.2
173.13226	1.1
175.07405	1.2
175.14789	5.2
177.16301	1.3
193.19551	1.3
201.16393	1.5
203.17937	84.7
204.18250	3.1
205.08578	1.6
205.19574	1.3
221.18983	100.0
222.19334	4.0
231.04951	5.3
233.18951	1.3
239.20016	5.8
249.05951	5.3
254.55177	1.0
287.14728	1.1
311.19931	1.4
329.21149	1.5
347.22156	1.7
365.23248	1.5
383.24139	2.4
384.29190	1.0
451.23505	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.6
69.58041	0.5
70.06588	7.3
71.08618	1.5
71.27547	0.6
73.04736	1.7
77.33862	0.6
85.10152	0.6
88.07139	1.0
88.07632	12.2
91.05795	2.1
95.04953	0.6
102.09171	2.5
106.08665	5.9
111.76230	0.5
122.02892	0.6
167.05562	1.1
180.70566	0.7
225.04292	0.8
239.09636	0.8
249.18398	0.6
256.26331	3.9
274.27399	100.0
275.27725	3.8
285.00815	0.6
299.06265	0.7
359.02808	1.6
429.08768	1.8
430.85217	0.7
441.76169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.6
59.50699	0.8
67.05521	0.8
69.78610	3.1
73.04746	1.8
74.26816	0.8
81.07021	1.0
84.96049	1.0
91.05836	1.8
92.73141	0.8
95.08613	0.9
98.97589	3.5
105.07161	0.8
107.08593	1.4
116.98625	1.8
118.21941	0.7
119.08607	0.9
127.03976	0.8
173.09616	1.0
177.66211	0.9
181.08684	1.3
182.48383	1.0
189.09158	0.8
199.07555	1.8
204.82428	1.0
249.02873	0.9
259.09781	2.4
303.06635	3.4
305.02704	14.8
321.07727	1.3
326.13974	0.8
359.03030	1.1
363.08862	1.5
379.05096	2.6
383.04483	1.1
391.04568	1.4
393.02835	2.4
397.05899	2.5
405.02847	1.7
407.04291	1.4
409.06100	2.1
411.03757	1.2
419.04340	6.2
423.03571	1.1
436.45068	1.0
437.05457	11.7
447.04044	3.5
455.06467	9.4
461.05716	1.1
465.04971	1.9
478.08224	1.1
479.06500	5.5
497.07617	9.3
509.07153	1.3
521.07947	1.0
539.08368	1.3
559.88678	0.9
581.10315	1.1
599.11078	1.9
641.12671	31.8
642.13226	1.2
684.36096	1.1
685.11639	100.0
685.32477	3.7
686.11963	6.4
699.57654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
61.02942	0.4
65.03950	0.3
67.05496	0.4
69.03436	1.3
70.15810	0.7
75.04497	0.5
77.03925	0.4
78.04698	0.4
79.05490	1.0
80.06271	0.5
81.03423	1.1
81.07018	0.5
85.02889	1.6
87.00835	0.6
90.04711	0.4
91.05477	2.9
93.07063	0.7
95.04990	0.9
95.08629	0.3
97.02891	2.1
99.04458	0.7
101.11287	0.3
103.05475	0.5
105.03410	0.7
105.07030	1.0
106.04187	0.5
107.04954	5.5
108.05737	2.8
109.02879	0.6
109.06538	0.6
111.58530	0.3
117.07039	0.9
118.04155	0.4
119.04918	0.6
120.05697	0.4
121.06509	1.9
123.04443	0.7
123.08060	0.6
127.03922	1.1
130.06381	0.3
131.04913	0.7
131.08585	0.4
133.06485	1.3
135.04393	1.9
135.08014	0.8
136.05188	4.3
137.05991	2.2
138.06775	1.0
145.04889	0.4
145.06494	1.1
145.10106	0.3
146.07271	1.1
147.04457	0.3
147.08049	1.7
147.08992	0.3
148.05174	4.6
148.08778	0.4
149.05952	0.8
150.06744	1.1
151.07542	100.0
152.07867	2.0
153.09093	0.3
157.06567	0.8
158.07274	0.6
159.08002	1.0
160.08846	0.9
161.05959	2.8
161.09570	0.7
162.06721	0.3
163.07532	3.5
164.08307	1.1
165.05469	0.9
165.09116	5.9
166.06268	9.1
167.07031	3.8
169.06523	0.5
171.08064	1.2
172.08783	1.6
173.05981	1.1
173.09590	0.9
174.06741	0.9
174.10304	0.4
175.07536	1.2
176.08366	2.6
177.05469	0.9
177.09097	9.0
178.09863	0.5
179.06993	0.8
179.10628	1.5
180.07753	0.5
181.08594	57.7
182.09073	1.3
183.08029	0.4
184.08861	1.0
185.09575	0.3
186.10381	1.3
187.07570	1.6
188.08304	3.4
189.09084	4.2
190.09842	1.1
191.07080	0.8
191.10684	3.2
192.07695	0.6
193.08600	3.6
194.09383	0.4
195.10115	1.8
197.92038	0.4
200.08282	0.9
201.09158	1.8
202.09889	2.5
203.10670	5.9
204.11313	0.4
205.08563	0.9
205.12236	1.3
206.09470	0.5
207.10167	2.8
215.10655	6.9
216.11415	2.5
217.08621	0.6
217.12256	4.4
218.09364	0.6
219.10136	0.8
221.11711	3.1
231.10172	0.5
232.10895	0.6
233.11748	5.2
235.13335	1.5
247.13252	2.3
251.12769	1.7
265.14392	1.6
275.12784	18.6
276.13046	0.7
323.12616	0.5
337.14246	0.4
338.15173	0.4
339.15790	0.6
340.16541	0.4
353.17413	1.5
353.45551	0.3
354.18167	2.8
355.15283	0.5
369.16852	0.9
370.13239	0.6
370.17725	9.9
371.18204	1.0
385.20087	34.2
386.20413	1.8
387.93903	0.4
391.13394	0.3
392.13901	0.5
401.29343	0.3
403.21146	35.9
404.21457	2.0
421.22104	1.2
608.46301	0.3
670.67480	0.4
686.17224	1.3
686.38898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.4
55.01867	9.9
55.05504	31.0
57.03432	5.8
57.07048	3.7
65.03938	4.1
65.38137	2.2
66.60612	2.4
67.05499	82.7
69.03423	39.5
69.07069	23.2
69.91229	6.5
69.91591	6.0
71.01339	3.3
71.04978	10.4
77.03933	4.2
79.05042	4.6
79.05488	73.1
81.02982	2.3
81.03410	64.3
81.07051	100.0
83.04977	14.0
83.08613	10.2
85.02888	24.2
85.06536	3.1
87.04508	2.7
91.05464	54.9
93.07035	90.6
95.04955	26.8
95.08597	77.0
97.02879	30.5
97.06519	16.3
97.10157	8.0
99.04428	9.5
103.05477	4.5
105.04521	5.3
105.07019	84.8
107.04972	4.9
107.08584	46.9
108.04470	6.6
109.02872	12.1
109.06522	12.1
109.10152	31.1
111.04442	17.5
111.08065	5.0
115.05491	5.0
117.07008	29.6
119.08573	40.9
121.06514	17.9
121.10136	37.1
123.04426	5.5
123.08092	10.0
123.11684	14.3
125.09590	3.2
127.03906	18.0
128.06213	7.0
129.05486	6.2
129.06952	17.2
131.04919	2.7
131.08551	50.7
133.06485	21.5
133.10124	37.4
135.08054	9.8
135.11688	26.9
137.05925	3.7
137.09637	5.5
137.13234	6.3
139.07458	3.1
139.11172	4.0
141.06960	9.5
142.07706	3.4
143.08568	19.3
145.06474	8.1
145.10109	38.8
147.08022	15.3
147.11649	23.3
149.09607	5.9
149.13242	17.6
151.07513	40.2
153.07002	4.1
155.08536	10.6
157.10112	19.7
159.08064	8.4
159.11668	30.6
161.06125	3.6
161.09560	3.1
161.13213	13.6
163.11177	6.3
163.14841	5.4
167.07164	2.8
167.08530	7.0
168.09311	5.6
169.10106	9.0
171.08064	10.0
171.11670	15.7
172.08714	3.1
173.05984	14.7
173.09633	11.1
173.13190	23.8
175.11153	18.6
175.14839	7.1
177.12698	3.9
181.10068	6.1
183.11702	17.0
185.09636	6.1
185.13239	10.3
187.07605	3.7
187.11191	10.5
187.14838	9.3
189.16321	3.1
191.10797	3.0
193.10147	3.1
195.11697	3.2
196.08882	4.1
197.13216	4.1
199.11156	5.3
199.14819	8.1
201.12747	23.1
204.87869	3.0
209.13248	3.5
211.11143	9.1
211.14809	3.4
213.12733	6.1
213.16315	4.5
215.14172	3.6
219.13936	3.1
229.12195	39.9
233.22794	4.2
235.13290	3.4
243.21048	8.3
247.13248	46.5
259.20544	10.6
261.22150	31.3
271.20630	3.2
273.22232	6.2
277.21585	12.5
279.23190	4.1
285.22101	4.8
287.20105	3.3
289.18033	2.7
289.21652	7.6
291.23108	7.3
301.21533	7.6
303.23071	15.3
315.23096	7.7
319.22736	4.7
323.23685	2.9
327.23166	7.5
333.22095	3.1
341.24713	9.8
345.23996	3.8
351.23172	10.9
369.24216	42.5
387.25317	40.9
405.21326	4.7
405.26285	37.5
416.06323	3.1
423.27377	12.6
559.21240	3.3
686.46783	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05510	17.5
57.03437	3.7
57.07066	2.5
57.40288	1.6
59.27905	1.5
61.31236	1.7
65.03925	3.7
67.05499	52.0
69.03429	23.7
69.07059	12.8
69.35851	8.7
71.04977	7.4
73.02884	1.6
77.03934	1.7
79.05489	49.2
81.02965	2.7
81.03414	33.0
81.07054	64.6
83.04977	8.5
83.08605	7.5
85.02896	17.7
85.06507	2.5
91.05472	48.9
93.07042	59.2
95.04968	12.6
95.08601	42.1
95.09205	2.8
97.02894	16.4
97.06518	5.9
97.10184	3.7
99.04459	5.4
99.08118	1.8
103.03924	1.9
103.05431	4.1
105.04504	3.2
105.07034	42.9
107.04964	8.5
107.08591	29.6
109.02870	12.4
109.06512	5.1
109.10148	20.5
111.04437	11.5
111.08056	2.8
115.05445	2.8
117.07011	27.2
119.04935	1.9
119.08566	33.9
121.06485	6.4
121.10141	29.1
123.04400	5.7
123.08058	2.8
123.11688	9.4
125.09596	2.1
127.03903	18.6
127.72258	1.8
128.06181	10.2
129.05473	2.1
129.06985	22.0
130.07712	2.2
131.04892	2.2
131.08557	38.7
133.06503	4.5
133.10132	19.2
135.04385	4.4
135.08049	4.0
135.11682	20.4
137.06012	3.4
137.13223	2.4
141.06985	21.9
142.07750	9.8
143.08556	32.3
144.09344	2.8
145.06444	7.6
145.10121	28.3
147.08034	4.5
147.11693	17.8
149.05971	9.1
149.09645	2.7
149.13286	11.0
151.07518	4.2
152.06277	1.9
153.07002	8.2
154.07773	3.2
155.08553	39.1
156.09344	1.8
157.06537	3.4
157.10121	45.4
159.08075	8.8
159.11687	21.5
161.05927	2.4
161.09605	4.0
161.13246	7.4
163.07530	3.6
163.14876	3.7
165.06943	5.2
165.12671	1.8
166.07777	4.8
167.08571	7.7
168.09344	21.6
169.06419	3.8
169.10159	11.8
171.08061	5.8
171.11661	9.9
173.05948	2.9
173.09612	6.5
173.13242	18.8
175.07559	3.2
175.11121	3.4
175.14771	2.3
177.12762	3.1
178.07811	4.5
179.08495	2.8
180.09274	2.1
181.10069	18.2
183.08047	6.8
183.11684	68.3
184.12076	1.9
185.09595	5.1
185.13191	9.8
187.07555	6.2
187.11145	3.0
187.14807	5.8
189.12747	2.2
193.10112	26.7
195.11636	7.8
196.08759	4.0
197.13167	3.4
199.11183	6.7
199.14748	3.6
201.09106	15.7
201.12694	16.7
201.16414	3.2
205.15816	2.5
207.11621	4.2
209.09598	2.9
209.13193	4.2
211.11157	26.3
213.12708	3.5
215.14485	2.2
221.13263	2.4
225.12753	2.3
227.10568	2.2
229.12222	100.0
230.12543	3.9
233.13234	2.3
235.14864	3.1
241.19452	3.7
243.21097	4.2
247.13275	8.0
257.18936	2.1
259.20615	7.5
261.22110	14.2
273.22040	3.0
277.21555	9.1
283.20819	1.8
289.21533	3.1
291.23117	2.8
298.95200	1.7
301.21579	4.7
303.23126	7.4
315.23157	4.2
319.22684	2.4
323.23627	4.0
327.23065	4.0
341.24759	4.1
345.24094	2.3
351.23154	6.7
355.15146	4.5
369.24265	24.0
387.25381	20.3
405.21234	3.0
405.26337	23.9
413.25058	1.6
423.27521	9.5
471.32315	4.7
489.33502	5.5
633.38428	2.3
651.38464	5.6
686.46747	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.6
57.03428	3.3
57.07080	37.8
58.07429	0.7
59.60589	0.7
61.02638	1.1
61.02929	16.6
64.60048	0.7
65.02297	0.6
67.05510	12.0
69.03428	1.5
69.07072	6.8
71.08634	31.4
72.40096	0.6
73.02915	5.0
75.04478	3.0
79.05483	1.8
81.07059	17.1
83.08621	12.3
85.02902	16.9
85.10184	21.4
85.45898	0.7
87.04472	0.8
89.06017	1.7
91.03961	15.3
91.05806	1.1
93.07040	1.5
95.04922	0.7
95.08607	25.7
97.02894	7.5
97.10165	11.4
97.10745	1.0
99.04425	1.0
99.11733	1.9
107.08579	1.0
109.02888	1.0
109.10160	12.4
111.11729	2.3
113.13262	0.6
115.03941	1.2
119.08578	0.6
121.10175	1.0
123.11710	6.2
127.03930	6.0
128.83980	0.6
132.04652	0.6
137.13248	2.8
138.40987	0.6
145.04971	9.0
151.14882	0.9
157.41171	0.6
159.12776	0.6
163.06024	13.4
165.16481	0.7
211.32501	0.7
235.24059	1.2
240.19930	0.6
253.25264	22.6
271.26331	4.4
309.51147	0.7
327.28937	100.0
328.29300	4.0
337.66150	0.7
345.30014	50.3
346.30295	2.4
518.16425	0.8
544.18042	0.7
601.63312	0.8
654.26508	0.8
686.28925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03942	1.3
55.01872	1.3
55.05509	10.8
57.03436	11.7
57.07072	1.8
59.04998	3.5
60.32254	0.6
61.02929	4.9
62.12624	0.6
65.03940	2.6
67.05502	100.0
69.03410	1.4
69.07066	9.4
69.35497	2.6
71.04995	3.7
73.02899	0.9
79.05492	21.0
81.03394	0.8
81.07056	35.9
83.04982	0.8
83.08614	7.6
85.02911	4.2
85.06540	2.7
85.61783	0.5
89.93594	0.6
91.03954	1.9
91.05476	15.2
93.07042	26.4
94.07359	0.5
95.04976	2.5
95.08601	27.3
95.09212	1.4
97.02877	3.0
97.06528	1.2
97.10155	1.7
97.48914	0.6
99.08094	1.3
105.04551	0.8
105.07031	7.7
107.08591	16.3
109.06510	1.1
109.10154	71.6
110.10481	1.1
111.08079	3.4
117.07000	2.6
119.08568	10.2
121.10142	11.0
123.11719	3.9
125.09665	1.4
131.08557	5.9
133.10107	4.8
135.11694	7.8
137.09595	3.0
137.13283	0.7
145.04939	0.6
145.10115	3.4
147.11667	3.4
149.13255	3.6
155.10675	5.6
155.11908	0.8
159.11674	3.5
161.13232	1.9
163.14804	2.2
171.11633	0.7
173.11769	16.1
173.13260	3.2
177.16338	0.9
187.14789	1.5
211.90437	0.6
227.12750	3.4
229.14339	77.3
230.14702	1.7
233.22791	0.6
243.21094	5.1
261.22131	16.7
271.02252	0.6
278.22842	0.6
317.24722	3.4
335.25781	68.1
336.26102	2.6
397.31177	1.2
471.34583	1.3
489.35696	53.1
490.35934	4.1
505.78281	0.7
507.36740	3.3
687.29614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01883	0.8
55.05253	0.8
55.05510	11.1
57.03433	13.0
57.07070	2.1
59.04995	3.6
61.02928	5.9
61.61546	0.5
65.03940	1.9
67.05502	100.0
68.05841	1.4
69.03423	1.5
69.07064	8.3
69.82408	1.0
69.82772	1.0
71.04987	3.2
73.02908	1.2
77.03894	0.7
79.05491	19.3
81.03424	0.8
81.07054	36.3
83.04998	0.7
83.08609	8.9
85.02907	4.7
85.06533	2.7
87.04444	0.9
91.03954	1.7
91.05473	13.1
93.07040	23.0
95.04958	2.5
95.08601	26.3
96.08955	0.6
97.02882	1.9
97.06528	1.5
97.10143	2.5
98.22699	0.6
99.04477	0.7
99.08086	1.2
103.03905	0.5
105.07027	6.2
107.08586	13.5
109.06525	0.9
109.10152	84.7
110.10516	0.8
111.08082	3.6
117.06983	2.6
119.08575	11.2
121.10139	11.4
123.08046	0.9
123.11707	4.1
125.09650	1.7
127.11201	0.7
128.78496	0.6
131.08565	4.2
133.10118	5.4
135.11679	7.2
137.09610	4.4
137.13226	1.4
145.10104	4.2
147.11678	3.4
149.09668	0.5
149.13231	5.1
153.12643	0.5
155.10655	8.6
157.10110	0.7
159.11681	3.7
161.13266	2.6
163.14822	2.0
173.11746	21.9
173.13232	3.3
175.14784	0.7
177.16402	0.9
181.60844	0.5
187.14848	1.2
190.02695	0.4
191.14355	0.6
194.53679	0.5
201.16431	0.8
216.30026	0.5
218.57262	0.5
227.12750	3.9
229.14336	97.7
230.14635	2.3
233.22729	0.7
241.42764	0.5
243.21146	4.2
261.22119	17.6
317.24689	2.6
322.04495	0.6
333.24078	0.7
335.25778	68.2
336.25998	3.1
346.02148	0.5
379.29700	0.9
397.30872	1.5
415.32004	1.6
471.34467	1.1
483.29993	0.6
489.35733	38.2
490.35992	3.0
507.36838	3.5
549.96326	0.6
687.30042	0.7
689.32111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.1
55.01874	0.3
55.05515	0.1
57.03439	7.3
59.05005	0.1
60.72488	0.1
61.02926	1.9
67.05499	0.1
69.03431	3.3
69.63538	0.4
71.01359	0.5
73.02917	14.2
75.78671	0.1
81.03434	0.1
83.05001	0.2
85.02908	100.0
86.03235	1.0
87.04485	0.3
94.23588	0.1
97.02894	7.6
101.00972	0.1
103.03928	0.1
111.04470	0.3
115.03935	6.2
127.03918	14.4
128.04305	0.2
133.04971	0.5
139.03905	1.8
144.14563	0.1
157.04967	21.5
158.05322	0.4
175.06020	65.0
176.06357	1.1
190.74971	0.1
193.04826	0.1
193.72647	0.1
206.07355	0.1
211.05997	0.2
229.07133	0.1
233.05952	0.2
234.06757	0.4
235.07391	0.2
247.07594	0.2
248.08298	0.2
249.09219	0.2
262.06265	0.3
263.07065	0.2
264.07690	0.2
276.07822	0.1
277.08600	1.1
278.09329	0.1
279.10095	0.2
290.05658	0.1
291.06339	0.2
295.94006	0.1
298.04175	0.1
305.08115	1.3
306.08478	0.1
307.10098	0.7
309.11148	0.2
319.05945	0.3
323.09134	0.2
333.07571	1.6
335.09164	0.4
337.10617	0.6
351.08508	0.8
353.22964	0.1
363.08694	1.1
381.09692	8.7
382.10098	0.7
396.66388	0.1
555.15155	0.7
623.40607	0.1
687.34668	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.9
69.11940	7.0
81.07065	1.1
82.41873	0.9
98.23441	1.8
109.10167	1.2
159.81419	0.9
175.20996	1.1
183.09242	1.2
211.12398	1.6
223.12527	1.3
225.13748	1.2
229.14418	1.6
230.92479	0.8
235.12416	1.0
237.14058	1.2
238.14833	1.9
242.68033	1.0
247.97861	1.0
249.13884	1.5
300.14804	1.2
302.16333	1.2
318.16220	1.2
354.19708	1.4
365.17844	1.3
366.18616	1.3
367.19357	2.1
375.16031	1.2
377.17752	1.4
379.19516	2.0
380.20523	1.3
381.16791	2.2
381.20956	4.1
383.22485	1.3
391.19550	1.4
393.21204	1.9
395.18729	3.0
396.19360	1.5
397.20514	1.6
405.17239	2.7
407.18890	1.7
409.20038	5.7
410.21008	3.3
411.21826	5.4
420.19577	3.0
421.20380	2.5
422.20966	2.9
423.21768	2.8
437.19312	2.4
437.24323	2.1
438.20645	1.8
447.21890	2.1
448.18774	8.5
449.19705	3.7
453.23022	3.5
465.18481	1.3
465.23495	2.4
466.23615	1.3
468.25394	8.1
469.25900	2.1
475.17471	2.1
479.24539	1.1
480.21240	10.5
481.22598	3.2
483.24313	1.8
493.19122	3.7
495.24109	1.2
496.24857	4.5
497.25894	7.4
498.26251	11.8
507.24127	1.5
508.20898	1.4
509.22040	1.4
511.27075	2.5
512.27917	2.1
521.22241	1.3
524.24274	3.5
525.25183	5.2
534.22260	3.6
535.23517	2.5
539.26501	4.7
540.27454	4.6
550.24030	1.4
552.23419	1.3
553.24261	2.8
563.22632	4.7
566.25317	1.6
567.25781	6.0
580.23572	1.9
581.24170	1.3
584.26624	4.1
585.27112	6.3
594.24854	10.3
595.25958	2.2
599.28491	2.2
609.27728	1.1
612.25873	19.0
613.26306	5.0
627.28015	22.8
628.28314	2.6
637.26147	6.3
655.27576	43.3
656.28162	3.6
687.30200	100.0
688.30505	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79162	0.5
53.03949	0.9
55.01881	2.1
55.05515	0.6
65.03961	2.5
67.05511	1.7
69.03440	1.8
70.06611	1.0
70.78410	0.6
71.46665	0.7
79.05506	2.2
81.03419	3.3
81.07048	1.1
85.02897	3.7
85.89352	0.5
91.05470	5.9
91.05878	0.5
94.04206	1.1
95.04970	3.6
97.02908	1.4
97.06548	1.0
102.04710	0.6
103.05466	17.8
105.03442	0.8
105.04496	0.7
105.07049	2.1
107.04947	4.0
108.02047	1.4
109.02888	1.0
109.06519	1.8
111.04436	1.3
115.05436	2.8
117.07013	3.2
118.04161	3.3
119.04932	6.4
119.08559	0.5
121.06509	2.2
121.10102	0.8
122.03646	4.8
123.04424	2.7
124.05196	0.6
125.05986	2.3
127.03927	1.9
129.07004	1.3
130.04106	1.0
131.04919	31.3
133.02872	2.1
133.06514	4.3
135.04430	0.9
135.08083	1.6
136.01640	0.8
137.05972	66.3
138.06306	1.8
141.05431	1.1
143.04927	2.3
145.06451	4.4
146.03664	0.7
147.04402	8.9
147.08031	1.3
148.05182	8.4
149.00574	1.2
149.05939	2.3
151.03903	83.4
151.04965	5.1
151.07436	3.2
152.04283	2.1
153.05450	3.1
157.06442	1.2
159.04323	1.1
159.08012	1.1
160.05193	1.5
161.05969	4.7
162.06769	0.9
163.07541	21.3
165.05469	2.9
165.09099	1.3
167.07027	9.6
171.04416	1.0
173.05966	3.8
174.06802	1.1
175.07516	5.4
176.04703	2.1
177.05400	2.7
178.00847	1.4
179.07037	4.7
181.03296	1.5
181.04927	18.2
181.08514	0.6
185.05931	0.6
187.07565	2.0
189.05444	1.4
189.09137	1.6
191.07021	100.0
192.07414	3.4
193.03185	14.2
193.04880	0.8
193.08612	2.6
195.06398	0.8
201.05373	1.1
203.06978	3.6
205.06622	1.3
205.08589	3.2
207.06476	1.4
207.08238	0.7
207.10101	1.9
209.08018	5.0
217.08533	1.3
219.10101	1.7
221.06100	0.8
221.08070	0.9
223.09674	0.8
233.05972	0.8
233.08041	3.3
235.07472	1.0
235.09517	3.2
237.08984	2.0
245.08095	1.0
249.09091	1.1
251.07033	0.7
255.10164	0.8
263.09171	18.5
264.09616	0.7
265.08533	1.7
267.10217	0.8
269.11597	0.9
270.05176	0.9
270.08063	0.6
272.18475	0.7
277.08563	1.6
282.07910	1.4
293.07938	1.2
295.09592	1.6
300.34799	0.6
307.09573	0.9
309.11078	1.8
315.04837	2.5
325.10565	1.6
327.12418	3.3
327.15497	0.7
328.12543	0.6
329.13681	2.0
331.08102	7.6
337.10611	2.1
339.11975	0.8
341.13852	1.5
345.08444	0.7
351.12155	1.9
354.14459	0.7
355.11761	9.7
357.13354	2.1
359.14749	1.5
369.13177	4.0
387.14337	41.4
388.14902	3.5
517.18079	2.6
518.18396	0.7
527.14923	1.7
536.54480	0.6
549.20868	1.1
623.06836	0.7
688.25732	2.3
689.29382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01852	1.7
57.16683	0.6
65.03925	1.9
67.05489	1.0
69.03415	1.9
69.07030	0.7
70.06575	1.8
71.24364	0.6
75.48587	0.7
77.03893	0.8
79.05479	3.0
81.03402	2.8
81.07050	0.8
84.04509	0.7
84.08135	0.8
85.02888	4.3
86.09697	1.0
88.91102	0.7
91.05472	7.4
93.03401	1.1
94.04178	2.1
95.04968	3.5
97.02876	1.1
100.11258	1.1
103.05463	17.0
105.03398	1.5
105.04456	1.0
105.07032	3.7
107.04949	3.6
108.02048	0.8
109.02872	1.2
109.06509	1.6
110.03654	0.7
111.04424	1.3
115.05444	3.2
117.06994	2.5
118.04131	3.3
119.04949	7.2
121.02890	0.8
121.06482	2.2
122.03635	4.9
123.04415	2.5
125.05978	1.6
127.03831	1.3
128.41832	0.9
129.06967	1.4
130.04141	1.4
131.04926	30.8
131.08513	0.9
132.05713	1.0
133.02832	2.0
133.06525	4.6
135.04459	1.0
135.08076	2.1
137.05969	64.0
138.06284	0.9
141.05325	1.0
143.04895	2.2
145.04852	0.8
145.06458	3.8
147.04410	8.6
147.08005	2.0
148.05182	9.3
149.00549	1.6
149.05939	2.3
151.03900	85.9
151.07516	3.0
152.04265	1.5
153.05472	3.2
157.06459	1.4
159.04506	1.1
159.08041	1.4
160.05261	1.8
161.00522	0.9
161.05948	4.9
162.06647	1.0
163.03934	1.5
163.07527	22.4
164.26208	0.7
165.05482	3.7
165.09123	1.5
167.07043	11.6
171.04460	1.0
173.05965	3.8
175.07518	6.6
176.04640	1.9
177.05490	3.6
177.07767	1.0
177.09134	1.1
178.00862	2.5
179.07076	4.4
181.03320	1.0
181.04947	18.0
187.07550	2.6
189.05493	1.3
189.09145	2.3
191.07021	100.0
192.07373	2.0
193.03195	15.4
193.08578	2.7
195.06544	1.5
199.07509	0.9
201.05540	0.7
203.07018	3.0
205.06764	1.1
205.08591	3.5
207.10030	1.1
209.08052	4.9
212.16418	0.8
217.08559	1.3
219.08131	1.0
219.10132	2.2
233.08009	3.7
234.06659	1.1
235.09644	3.9
237.09140	1.3
239.06941	0.9
245.08012	0.9
249.09166	1.5
254.17477	0.9
257.08231	1.0
259.09616	0.9
263.09189	20.5
265.08539	1.8
267.10110	1.6
272.18652	0.9
277.08572	2.2
282.07880	1.9
295.09586	1.4
296.15839	0.8
297.11276	1.4
299.12720	0.9
300.09058	1.6
309.11176	2.0
315.04883	1.6
323.09216	1.0
325.10626	1.1
327.12381	4.1
329.13800	2.1
331.08078	7.4
337.10754	2.6
339.12073	1.2
341.13696	0.9
351.12268	2.3
355.11710	8.3
357.12988	1.4
359.14838	1.3
369.13290	4.5
387.14343	45.8
388.14633	1.3
460.21823	1.2
517.18414	3.1
527.15234	1.7
688.24908	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61135	0.5
53.03940	3.3
53.69274	0.5
55.01870	6.0
55.05508	0.7
57.03436	8.8
61.02922	6.7
67.05492	1.1
68.99797	2.3
69.03426	37.6
69.07063	3.4
71.01351	0.8
71.04990	4.5
73.02911	13.7
75.93332	0.4
81.03413	26.5
81.07059	0.6
83.04980	1.0
85.02900	100.0
86.03220	1.1
87.00825	48.1
87.04475	1.3
91.03952	1.9
91.05469	1.2
93.03462	0.5
93.07040	0.8
95.04931	0.6
97.02888	51.4
99.04450	13.0
101.02364	0.6
102.15832	0.4
103.03922	1.5
105.01862	92.7
105.07028	1.1
106.02199	0.7
107.04955	0.6
109.02875	37.1
111.04459	1.1
111.11728	0.6
115.03918	3.3
117.01842	2.0
119.08549	0.6
121.06448	0.7
123.02898	0.5
123.04439	0.9
125.02309	0.4
127.03908	94.3
128.04239	1.3
129.01837	3.8
129.10265	0.6
131.04883	0.5
136.07552	1.6
137.05962	5.5
139.03940	0.8
141.01918	0.5
145.04951	36.4
147.02856	2.3
150.07571	0.6
151.03905	0.8
151.07501	1.0
159.02870	11.3
161.06068	0.6
163.06180	0.6
167.07022	1.4
169.04941	0.9
171.02861	0.8
175.07538	0.7
177.04054	1.0
177.05367	0.7
181.04945	1.4
187.05989	0.8
189.03897	4.2
193.04927	0.6
205.06900	0.5
205.08681	0.9
211.05922	0.6
213.03926	14.2
223.05977	0.7
231.04982	50.5
241.07121	0.9
249.06042	32.2
250.06384	1.0
253.07042	4.6
259.08115	0.6
271.08127	5.4
273.05984	2.2
297.06219	0.6
327.06808	1.3
349.11075	0.5
351.85403	0.5
357.08264	3.1
357.12582	0.5
362.04004	0.5
375.09183	3.4
393.10229	8.6
411.11389	2.9
423.23605	0.7
687.47766	4.2
688.28394	1.1
688.48206	3.2
689.29572	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74632	0.4
54.78962	0.3
70.38586	0.3
76.25124	0.4
78.19425	0.4
81.07044	0.4
87.46003	0.3
149.03571	0.3
191.07481	0.4
369.30942	0.4
383.11685	0.6
384.12317	1.0
385.14166	1.1
386.14572	0.6
397.13083	1.5
398.13724	7.0
399.14587	5.2
400.16348	7.1
401.16824	1.3
403.15451	0.5
409.13074	0.5
410.13995	0.5
411.14890	1.3
412.15277	7.9
413.16016	12.7
414.16861	2.4
416.14835	2.2
418.17657	3.4
425.16306	1.4
426.17310	3.2
427.17770	15.0
428.18610	15.2
429.19342	3.1
430.16495	1.3
439.13342	0.4
439.17661	0.7
440.14948	1.6
441.15036	3.3
443.13434	1.2
444.13971	1.0
445.18866	1.7
446.17358	1.6
453.16064	0.9
454.16296	0.7
455.17154	45.0
456.17709	8.2
457.15448	2.3
458.15833	7.1
459.16428	3.0
468.18665	0.5
468.76175	0.4
469.14401	2.0
471.16946	3.7
472.17596	3.2
473.18579	2.2
480.14511	1.0
482.15875	0.6
483.16632	36.1
484.16931	5.3
485.18707	0.6
486.19440	3.7
487.20313	6.8
488.19827	0.8
495.16553	1.1
496.17087	0.6
497.18536	1.1
499.16669	1.1
500.17035	0.6
501.17657	1.4
509.18597	0.8
514.18823	1.2
515.19098	6.1
516.19812	2.8
523.16083	2.8
524.16724	0.6
527.15137	7.0
528.16010	1.1
537.17236	0.5
538.18274	0.6
541.20551	0.8
543.20074	0.4
555.18726	3.4
556.19287	0.7
569.20300	1.6
570.20752	2.5
574.24219	13.0
575.24384	2.2
587.21454	2.5
597.20020	0.5
601.22980	9.9
602.23706	100.0
603.24005	14.6
604.21686	0.6
612.21942	1.1
629.22418	23.3
630.22845	5.1
633.25592	4.8
634.25513	0.6
643.23956	6.3
644.24365	0.8
657.21893	18.5
658.22046	3.3
661.25116	6.5
662.25745	1.1
689.24664	8.5
689.39044	1.1
690.24530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54529	1.9
81.07083	1.8
89.06050	1.7
91.05492	0.8
95.08646	1.1
98.23320	1.9
106.22479	0.7
107.08569	1.0
133.08656	0.8
383.11774	0.9
384.12387	3.1
385.13031	3.7
386.14011	1.3
397.13287	2.2
398.13742	9.1
399.14505	12.4
400.15402	18.7
401.16211	2.8
410.13593	0.8
411.14862	2.8
412.15341	8.5
413.16196	15.9
414.16815	10.7
415.17636	0.8
416.14789	1.8
418.17630	1.9
425.16553	0.9
426.17068	2.8
427.18210	16.2
428.18799	12.4
429.19342	13.3
440.14578	1.4
441.14948	7.4
442.16251	11.5
444.14505	1.1
445.19077	1.5
446.17529	1.6
453.15366	1.6
455.17227	35.8
456.17816	14.8
457.18372	1.5
458.16068	2.9
459.16776	1.9
460.17438	0.9
466.12775	0.9
469.14932	2.2
471.17059	1.5
472.17880	1.2
473.18063	1.5
481.14932	1.3
483.16656	26.5
484.16507	5.8
486.19238	1.2
487.20300	2.0
494.15768	0.8
495.16306	1.6
496.16940	1.1
499.16174	5.4
500.16431	1.8
501.17963	2.1
511.19797	2.9
515.19220	2.1
516.20160	1.1
523.16437	1.8
524.17151	1.0
527.15692	27.5
528.15729	6.9
539.19269	11.0
540.19629	1.0
542.21265	1.2
543.22565	15.4
544.22693	1.5
555.18756	1.7
569.20734	1.4
571.21930	100.0
572.22302	10.7
574.24323	7.8
586.20892	1.5
587.21362	2.3
601.23169	7.2
602.23810	38.3
603.24139	2.6
615.20905	3.4
617.26300	1.9
629.22473	28.7
630.22797	25.1
631.22858	2.8
633.25696	2.7
643.24609	1.4
657.21948	60.7
658.22180	6.5
661.25317	5.9
662.25330	0.9
671.26160	0.9
689.24652	26.2
689.40906	2.4
690.24951	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05515	0.5
57.03440	0.8
61.02911	1.7
67.05511	0.3
69.03429	1.8
70.06593	0.7
70.82528	0.3
71.01349	0.5
73.02917	2.4
81.03436	0.6
81.07053	0.4
84.08120	0.3
85.02911	2.4
86.09702	0.2
87.04496	0.5
91.03970	0.9
91.05488	0.8
92.04996	2.0
93.05807	0.3
94.06619	0.3
97.02892	1.6
97.61251	0.3
98.68921	0.3
99.04471	0.4
101.02392	0.5
103.03961	0.3
103.05466	0.5
105.07034	0.3
106.06577	0.8
109.02908	0.4
117.05758	0.4
118.06535	7.6
119.07288	0.5
120.08118	0.7
122.97433	0.3
127.03939	0.4
130.06549	0.7
131.04956	0.7
132.08109	0.9
133.06509	0.4
134.08170	0.5
134.09673	0.7
135.04353	0.2
137.05960	1.6
144.08163	0.6
146.09711	0.4
151.03888	0.5
151.07535	0.5
160.11180	0.3
161.05989	1.3
162.09126	9.9
163.07591	1.2
163.09932	2.4
164.10785	0.8
175.07617	0.3
176.10857	0.3
189.09108	0.5
191.07062	0.5
202.15860	2.1
207.10217	0.8
230.15375	21.5
231.15807	0.7
248.16565	0.8
287.12927	0.3
292.19043	10.8
293.19421	0.4
294.13699	0.3
304.18973	1.8
312.34479	0.3
322.20126	2.9
331.15372	0.6
332.22244	0.3
366.22736	13.6
367.23096	0.7
403.04236	0.3
528.28015	18.1
529.28247	1.3
589.41937	0.3
617.51190	0.3
690.33246	100.0
691.33582	7.5
691.44775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
67.05510	1.5
69.07079	0.6
71.45736	0.4
79.05476	2.3
81.07070	1.5
83.05042	0.5
84.06490	0.4
85.02945	0.7
86.89558	0.4
91.05484	2.4
93.07066	1.7
95.08609	1.7
97.02899	0.4
100.54674	0.5
105.07029	2.1
107.04984	0.4
107.08613	1.1
109.06530	0.5
117.07047	1.0
119.08582	1.9
121.10165	1.1
123.08067	0.4
127.03896	0.5
130.36063	0.3
131.08560	1.9
133.10167	1.5
135.08090	0.4
135.11734	0.5
143.08540	0.4
145.10143	1.1
147.11719	0.7
159.11740	0.6
185.13310	0.6
219.17426	9.8
219.19400	0.5
257.19165	0.5
275.20023	1.9
349.23730	13.7
351.25458	1.1
428.14990	0.5
429.15463	0.7
442.16602	0.9
443.17261	1.1
444.17950	0.5
455.13138	0.6
456.14310	0.6
457.18954	2.7
467.17331	0.6
469.11063	0.6
470.12198	1.5
483.12576	4.9
484.13766	10.8
485.13538	2.1
488.17447	0.5
494.15509	0.5
495.16830	0.5
497.13739	5.1
498.15216	7.5
499.15958	2.5
510.19110	1.1
511.15933	2.2
512.16803	5.8
513.17688	23.5
514.18347	6.2
515.19312	0.7
523.16064	8.3
524.16577	1.2
525.17603	2.1
526.18469	2.4
527.19336	7.6
528.19543	1.0
531.19128	0.7
537.17358	0.8
545.24359	0.5
554.19928	0.7
555.18909	3.0
556.19214	0.8
557.23962	0.9
568.20422	0.5
569.20123	0.5
573.20532	0.6
585.20258	0.5
599.21564	1.5
600.22162	1.8
601.23029	2.5
602.23706	0.5
614.23773	1.4
632.00433	0.5
632.22510	0.5
659.23236	2.0
660.24200	4.0
661.25085	0.6
673.24414	1.0
691.26074	100.0
692.26312	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49152	0.6
53.50659	0.6
56.95011	0.6
67.05511	0.7
68.45326	0.7
69.32896	0.6
71.46538	0.6
74.48552	0.6
81.08423	0.6
93.07043	0.7
98.97637	0.7
107.99461	0.6
116.98676	0.6
119.55788	0.6
146.81418	0.7
260.84457	0.7
283.89401	0.6
339.53976	0.7
375.03299	0.7
376.39337	0.7
413.89044	0.7
511.12955	3.7
616.27661	0.7
691.32861	100.0
692.33447	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32238	0.4
56.96561	19.4
67.05466	0.5
68.15414	0.4
69.07052	0.9
69.51104	1.5
71.95241	0.5
72.96006	0.6
74.97607	0.6
81.03414	0.4
81.07034	0.5
84.96008	0.6
91.05441	0.5
93.07045	0.6
95.08609	0.5
97.96795	0.5
98.23475	0.8
98.97541	0.7
105.00143	0.5
105.06973	0.4
110.97572	1.2
115.00652	1.7
128.98552	1.7
129.02223	3.1
132.99712	0.4
133.01711	0.6
137.02731	0.4
139.00606	0.9
141.02242	1.0
143.00111	0.4
143.03714	0.6
145.01686	0.4
146.99588	0.9
147.03305	3.0
151.00687	0.4
153.02208	1.3
155.03748	2.8
157.01726	1.1
159.03262	1.7
161.04802	1.0
165.02185	0.6
167.03755	1.1
169.01703	0.5
169.05238	0.5
171.03278	3.4
173.04869	4.5
175.02776	0.5
179.71716	0.5
181.01788	0.6
181.05353	1.5
183.03235	1.2
183.06935	1.1
185.04860	3.7
186.01976	1.2
187.02771	0.9
189.04347	2.6
191.03699	0.8
191.05858	1.1
193.05318	0.6
195.06885	1.1
197.04861	1.6
197.08447	0.6
199.02661	1.0
199.06390	4.6
201.07909	2.4
203.05943	2.9
204.02997	0.6
207.06876	0.5
209.04846	1.2
209.08485	0.9
211.06392	1.6
211.09988	1.1
213.02222	0.5
213.07961	3.3
215.05984	0.7
217.07382	2.9
219.06914	1.2
219.09067	1.4
221.08492	1.1
223.06313	1.2
225.07884	1.9
227.05916	2.5
227.09502	0.7
229.07481	3.5
229.11049	1.6
231.08975	3.2
235.06351	0.6
237.07925	11.2
239.09502	4.9
241.07394	2.2
242.08311	0.7
243.09019	8.6
245.06938	0.6
247.08466	1.5
249.07951	0.9
251.09593	0.8
253.07379	0.5
253.11192	1.0
255.09021	100.0
256.09442	3.1
257.10611	3.6
259.08542	1.2
261.10040	3.3
265.07544	1.3
266.10501	0.7
267.09048	3.7
269.10510	1.3
273.10071	38.4
274.10397	1.7
277.08432	0.4
277.11102	2.7
278.08130	0.3
278.10635	7.6
283.08508	5.1
285.10129	3.2
287.11713	0.5
295.08517	2.6
295.12152	8.7
295.15601	0.4
296.08820	0.7
296.11981	2.0
301.09488	2.2
301.14816	0.5
305.14050	0.9
306.10013	0.5
313.09564	1.6
313.13214	1.8
314.10162	0.7
319.15979	0.7
321.17389	0.6
323.15170	0.6
329.14230	9.7
337.16812	1.1
347.15283	25.3
348.15588	1.4
365.16315	74.4
366.16721	3.3
370.16986	1.3
383.17386	40.8
384.17758	1.7
388.18024	1.7
401.18607	0.8
406.19016	8.1
407.19028	0.7
440.19208	0.5
579.46918	0.4
655.35669	0.8
673.36273	5.8
674.35986	0.5
691.37177	55.8
692.37537	6.3
723.00659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3875
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
54.21315	0.2
67.05499	0.3
69.30147	1.3
79.00741	0.2
79.05493	0.5
81.07070	0.6
86.98792	0.2
87.04502	0.3
98.06063	0.3
185.04276	0.9
206.28737	0.3
259.07947	0.6
291.19595	0.6
292.20157	0.3
347.09500	1.2
367.28384	0.3
386.86087	0.3
529.33472	25.6
530.33734	1.6
573.22107	0.3
673.48798	0.8
691.38721	100.0
692.39044	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.33684	0.4
55.05511	1.0
57.03445	1.3
59.05009	0.5
61.02926	5.7
63.14219	0.4
67.05504	7.6
69.03417	2.6
69.07063	1.0
71.05008	1.0
72.74210	0.4
73.02916	3.4
79.05485	2.2
81.03418	1.8
81.07056	3.9
83.08622	0.9
85.02892	4.4
87.04464	0.5
88.22652	0.4
88.30750	0.4
90.90386	0.4
91.03953	3.0
91.05461	2.0
93.07058	2.7
95.08608	3.2
97.02892	4.1
98.23439	0.8
99.04473	0.7
101.02409	1.8
107.08605	1.6
109.02896	0.7
109.10143	4.6
115.26013	0.4
119.08512	0.8
121.10120	0.7
127.03963	1.3
131.08514	0.7
135.11697	0.8
145.05006	0.4
173.11839	0.8
185.04240	0.7
195.09946	0.9
243.08540	1.5
257.14160	0.5
322.35818	0.4
377.46454	0.4
413.17801	4.8
472.68793	0.4
519.29425	6.3
520.29736	0.5
691.40234	100.0
692.40558	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01880	0.5
55.05509	1.2
57.03441	1.8
57.07078	0.5
59.04996	0.6
61.02926	5.8
67.05504	8.5
69.03436	3.3
69.07070	0.8
69.40251	0.7
69.40652	1.2
71.04997	0.7
73.02911	4.3
79.05500	2.4
81.03413	1.8
81.07045	3.2
83.08624	0.9
83.36346	0.4
85.02911	5.7
87.04464	0.6
91.03953	4.2
91.05489	1.6
93.07047	2.7
95.04988	0.3
95.08602	2.3
97.02886	5.0
99.04465	0.8
101.02375	2.0
103.03965	0.6
105.07012	0.8
107.08601	1.1
109.02911	1.1
109.10151	7.8
111.08105	0.4
115.03995	0.4
117.07064	0.5
119.08608	1.4
121.06580	0.3
121.10180	1.0
127.03964	1.6
133.10152	0.5
133.67735	0.3
135.11731	0.9
137.09656	0.4
145.10097	0.4
154.70981	0.4
155.10663	0.8
173.11746	1.7
173.37309	0.4
185.04266	0.7
195.10052	0.6
203.05318	0.4
209.74142	0.4
218.23199	0.4
229.14476	1.1
243.08330	1.8
251.12563	0.5
335.25797	0.5
413.17792	8.7
519.29266	4.4
520.29742	0.4
691.40210	100.0
692.28619	0.5
692.40546	9.6
718.56982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23218	2.2
82.11865	2.2
247.82164	2.4
318.95908	2.4
428.40833	2.3
446.19995	8.7
460.21341	15.8
461.22119	9.4
474.22983	5.5
475.23450	4.8
488.24628	9.3
498.39639	2.6
503.26572	14.0
516.24420	4.3
518.29218	4.5
531.26361	21.8
532.26825	5.5
546.28595	41.8
547.29041	3.0
562.28467	4.0
576.29706	3.8
590.30945	3.9
604.29242	17.5
605.33789	15.4
618.30603	29.5
619.30597	2.6
633.22327	4.1
633.33044	92.5
634.33655	9.6
692.34399	100.0
692.46399	4.8
693.34723	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05518	8.0
57.03431	3.3
57.07077	1.7
61.02678	1.4
61.02930	16.1
62.70111	1.1
67.05503	15.1
69.03422	2.6
69.07067	6.1
71.46703	1.1
73.02911	6.6
78.15583	1.1
79.05497	28.1
81.03423	3.6
81.07067	16.6
83.04984	1.3
83.08627	3.0
85.02903	19.5
85.06573	2.0
91.03954	16.8
91.05479	23.8
91.06040	1.6
93.07050	32.4
95.04955	6.7
95.08607	14.8
97.02900	8.8
97.10183	1.6
105.07030	29.0
107.08597	15.4
109.10151	5.8
111.08134	1.9
117.07030	7.8
119.06036	1.1
119.08578	27.2
121.10149	17.0
127.03921	5.4
129.07008	5.3
131.08585	10.8
133.10130	22.5
135.11681	12.4
143.08580	6.3
145.04977	6.6
145.10130	9.4
147.11684	21.0
148.49193	1.4
149.09726	2.0
149.13268	8.4
157.10141	4.9
159.11708	9.3
161.09590	1.4
161.13271	13.5
163.06036	13.8
163.11218	3.3
163.14781	2.3
169.10149	1.5
171.11673	5.3
173.13271	4.7
175.14830	4.8
177.12764	1.8
177.44397	1.1
185.13240	6.2
187.14774	1.6
189.12799	1.3
199.14854	3.5
203.14221	1.8
231.21143	3.1
241.19514	13.9
259.20581	50.4
260.20932	2.3
261.22232	1.8
277.21573	2.7
333.24213	5.3
351.25299	100.0
352.25671	4.7
363.25198	1.6
367.22769	1.7
393.26282	1.2
441.26224	3.4
459.27774	2.8
477.28345	4.4
495.29535	6.0
545.01477	1.5
692.38409	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92373	0.4
61.74338	0.4
67.05495	0.5
76.91749	0.4
79.05477	0.4
91.05518	0.4
93.07050	0.6
93.49883	0.4
129.03183	1.1
135.04427	1.9
167.07080	1.1
188.08240	0.6
189.05232	39.0
193.86357	0.5
195.06284	7.6
230.07509	0.4
243.10158	0.5
271.09329	2.9
275.18265	0.4
291.49579	0.4
307.32867	0.5
324.02338	0.5
326.17813	0.4
382.23932	0.5
436.16315	0.5
481.14731	1.2
495.16476	0.6
496.17328	2.3
497.17963	0.9
584.66278	0.5
611.12134	0.7
633.23035	0.8
693.25171	100.0
694.25482	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05490	0.3
66.44786	0.2
67.78195	0.2
70.49527	0.3
70.49890	0.3
79.05474	0.2
79.87247	0.2
82.06566	0.2
83.71664	0.2
88.66895	0.2
89.03919	0.4
91.05447	0.3
93.05798	0.2
93.07032	0.5
94.06560	1.1
95.04943	0.3
95.07358	0.3
96.08145	1.2
97.06510	0.8
100.03938	0.2
106.06566	0.3
108.04448	0.4
108.08092	1.2
108.43347	0.2
110.06032	1.0
110.09673	1.4
116.04971	1.6
120.08123	1.3
122.05221	0.3
122.06024	3.3
124.07573	2.6
134.06006	0.5
136.03947	0.2
136.07565	1.7
138.05470	0.4
138.09135	1.5
143.08551	0.3
144.04460	3.7
146.05983	0.7
148.07544	0.6
148.85585	0.2
149.07069	0.7
150.05516	1.6
152.07063	1.8
158.06001	0.3
158.09634	0.8
160.03929	0.4
160.07642	1.3
160.09900	0.2
160.11317	0.2
161.06984	0.2
162.05502	1.4
164.07027	0.4
166.08633	2.4
170.09636	0.9
172.03931	16.0
172.07579	0.8
172.11212	0.5
173.04295	0.5
173.08382	0.2
173.10686	0.2
174.05484	0.4
174.09126	0.5
174.11539	0.2
175.08675	0.9
175.12268	0.7
176.07037	0.4
176.09396	0.3
178.05038	0.2
184.07545	0.3
185.08405	0.3
185.10625	0.2
186.07593	0.4
186.09143	4.8
187.08601	1.1
188.07056	0.4
188.09384	0.9
189.10233	0.4
190.04987	2.6
196.07559	0.7
198.09123	0.8
200.07065	0.4
200.10754	1.6
201.10262	0.7
202.08980	0.3
202.10986	3.1
203.08263	0.3
203.11781	5.8
204.06558	22.1
205.06818	0.8
210.09143	0.4
212.07152	0.3
212.09210	0.4
212.10988	0.3
213.10214	2.2
214.08635	10.7
215.08136	5.0
216.08784	0.7
217.09715	1.2
227.08029	0.3
227.11717	1.3
228.10214	3.0
229.09734	1.5
230.08501	0.2
230.10416	1.3
231.11293	5.4
237.09969	0.3
238.08670	0.3
240.08896	0.6
241.09714	1.8
242.08105	2.0
243.11215	0.2
245.09119	0.8
245.12883	0.6
246.09785	0.3
247.10760	1.5
251.11812	0.3
255.11261	4.2
256.09598	2.6
256.11685	0.3
257.09296	0.7
257.12836	1.2
258.10114	0.4
259.10767	72.8
260.11115	3.5
271.10645	0.5
273.12335	5.7
275.10287	0.4
279.11169	0.3
283.10809	2.4
284.09033	0.4
287.10297	0.3
297.12363	0.6
300.11029	0.3
301.11810	51.7
302.12262	2.1
319.12869	100.0
320.13217	3.9
325.11765	5.1
326.12244	0.3
335.12366	0.7
337.13922	29.5
338.14157	0.9
343.12869	0.5
357.14447	3.0
358.15057	0.5
486.16568	0.6
492.17648	0.3
504.17725	0.6
510.18558	0.9
647.27039	0.4
649.22009	0.3
657.25659	1.1
675.26569	8.1
676.27106	0.7
683.13129	0.2
693.21301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15037	0.3
50.78571	0.3
55.08732	0.3
69.78512	1.0
98.23242	0.8
111.57970	0.3
125.99527	0.3
140.11206	0.3
170.80119	0.4
178.12898	0.3
190.10457	0.4
193.93373	0.3
274.79742	0.3
284.17987	0.4
306.03256	0.4
311.30496	0.3
321.04791	0.4
693.34589	100.0
694.34937	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.05495	1.2
57.03434	3.0
61.02907	0.9
63.02407	0.4
67.05484	0.6
69.03430	2.6
70.52809	0.5
70.53151	0.5
71.01368	0.3
71.04990	10.2
73.02914	2.2
73.68912	0.3
75.04465	1.2
77.03921	0.4
81.03394	0.7
81.07041	0.7
83.04972	4.6
85.02900	21.2
87.04462	0.8
91.05461	0.5
95.01319	1.5
97.02876	2.1
98.29597	0.3
99.04431	0.7
101.70848	0.3
103.05460	3.1
105.07021	0.8
109.02859	0.7
111.04440	2.2
115.03886	0.5
115.05443	12.3
117.07013	16.5
118.07315	0.5
125.02344	4.4
127.03896	1.1
127.05417	0.8
128.06195	2.8
129.05525	6.6
129.06992	25.7
130.07344	0.7
131.04926	8.1
133.06482	1.4
135.04413	5.5
137.05995	0.5
137.28745	0.3
143.04921	13.8
143.06004	0.7
145.04973	0.5
145.06467	9.8
147.06528	1.9
149.02321	0.4
155.04866	1.4
155.06050	1.5
157.06479	11.4
159.04402	13.5
160.04787	0.4
161.05980	7.3
170.03638	0.4
171.04378	17.0
171.05548	1.1
172.04860	0.6
173.05966	17.0
174.06479	0.5
174.74492	0.3
175.07523	1.1
177.05460	0.5
185.05972	8.1
186.06352	0.4
187.03905	7.1
187.07518	0.4
188.04643	0.9
189.05479	2.9
191.06882	0.5
199.03885	13.4
200.04523	1.1
201.05447	24.1
202.05777	0.7
203.03365	2.0
210.14925	0.8
217.04932	7.2
217.06848	0.6
219.06522	1.0
229.04948	19.2
230.05321	0.8
231.06503	34.4
232.06856	1.2
247.05998	100.0
248.06328	2.7
249.07625	1.1
277.08545	0.4
357.07352	1.1
369.09573	1.8
379.07895	0.5
381.09583	1.0
383.10547	0.7
400.06769	0.8
409.11267	3.0
443.06491	0.4
453.55405	0.3
516.86914	0.3
650.36011	0.5
693.52045	0.6
694.35956	0.4
695.35370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03968	0.5
67.05513	2.1
69.23122	1.2
69.23513	0.8
70.06593	0.5
77.03947	0.5
79.05505	1.3
80.05041	0.6
81.05807	0.5
81.07050	0.6
82.06596	1.3
82.50224	0.4
89.03946	1.0
91.05491	1.2
92.98741	0.5
93.07037	1.8
94.06581	4.7
95.04969	1.0
95.07348	1.3
96.04494	1.1
96.08143	4.6
97.06552	0.5
100.11248	0.9
103.05466	0.6
106.06569	0.9
108.08125	4.4
110.06066	2.0
110.09681	6.3
112.07613	1.8
116.04988	3.9
120.04475	1.1
120.08115	5.4
122.06038	19.5
124.07597	10.7
125.25404	0.4
132.04460	0.8
134.06050	2.7
136.07582	29.1
138.05492	0.6
138.09157	8.3
140.06012	0.9
140.07065	11.1
140.08159	0.6
144.04456	8.9
146.06004	5.0
146.15898	0.4
147.04373	0.6
148.07559	2.9
150.05553	0.6
152.07086	3.9
158.08147	9.5
159.08347	0.6
160.03915	4.2
162.05518	4.0
164.07076	43.2
165.07452	1.0
166.08641	12.3
172.03944	55.9
173.04288	1.6
174.05547	1.4
178.04971	0.6
182.08142	34.4
183.08467	0.4
190.05003	15.1
191.05513	0.6
192.06540	1.1
198.09129	1.0
204.06572	100.0
205.06947	2.7
210.14970	1.0
214.08606	0.5
224.09351	0.6
226.08720	0.4
227.08221	0.4
227.11771	0.6
231.11240	0.9
236.09554	0.8
237.10097	0.7
239.11702	0.9
241.09689	0.6
243.11340	5.6
248.13174	0.7
251.11871	1.4
252.08737	0.6
253.09737	1.0
253.13461	0.8
255.11208	1.3
256.11771	0.6
257.12903	0.7
259.10809	3.7
260.11145	3.7
261.11310	1.7
265.09720	0.6
267.11182	0.6
271.14499	0.8
273.12338	1.3
279.11273	2.8
281.09531	0.7
281.12762	0.8
283.10889	0.8
285.12375	7.4
293.09125	0.9
297.12357	4.0
298.12793	0.5
299.10577	0.5
299.13885	5.4
301.11841	3.7
302.12112	3.0
303.13388	18.6
304.13562	0.8
307.10522	1.2
311.10309	0.8
311.13666	0.6
313.11810	0.8
319.12851	6.8
320.13187	4.9
321.14273	6.7
323.10168	0.6
325.11847	28.0
326.12131	1.2
327.12988	0.8
329.14761	0.9
335.10526	0.5
337.13776	1.5
338.14270	1.3
339.14545	1.6
341.11243	1.3
343.12906	4.5
353.11121	1.0
355.12772	0.5
357.14462	25.0
358.15012	1.2
359.16016	0.8
373.13977	1.0
436.18909	0.5
448.18253	0.6
462.16321	0.8
464.18188	0.9
474.16495	0.6
476.18201	1.1
480.17545	1.4
482.19281	0.8
492.17621	1.5
494.19214	2.3
498.18799	2.4
506.19269	6.9
507.19766	0.6
508.20868	2.3
510.18878	0.5
512.20349	3.4
524.20331	4.9
530.21490	3.1
538.21692	2.1
596.94458	0.4
601.26648	0.6
609.23309	0.6
627.24884	2.7
641.25244	1.4
645.25580	2.5
659.26996	2.3
663.26654	3.8
677.28088	3.0
695.29028	0.8
695.49878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29323	0.5
55.05491	1.0
57.73820	0.6
63.84340	0.7
65.03919	1.0
67.05485	2.2
69.17014	3.8
70.06579	0.7
79.05499	1.1
82.06562	1.1
84.08086	0.7
89.03918	1.5
91.05489	1.7
93.07027	2.1
94.06562	6.6
95.04892	0.8
95.07340	2.2
96.04479	1.7
96.08124	5.7
97.06541	1.0
100.11230	1.0
104.56892	0.6
105.07066	0.8
106.06558	0.9
108.08118	4.5
110.06009	2.6
110.09682	7.2
112.07585	2.5
116.04965	4.4
120.04425	1.2
120.08106	6.0
122.06023	20.4
124.07591	11.7
124.08456	1.2
131.02954	0.6
134.05981	2.5
136.07570	32.4
138.09138	10.9
140.07048	14.4
143.08511	0.7
144.04434	11.5
146.06000	6.3
148.07532	2.6
152.07066	3.4
158.08104	11.0
160.03914	5.4
162.05495	4.7
164.07056	48.4
165.07368	0.9
166.08635	14.0
172.03923	59.8
173.04256	1.8
174.05470	1.0
182.08122	30.3
182.15344	0.8
186.09126	0.9
190.04982	17.0
191.05298	0.6
198.09123	0.9
200.10728	0.7
202.10985	0.6
203.11803	0.8
204.06549	100.0
205.06888	3.3
210.14938	1.1
211.12308	0.7
214.08694	0.9
215.11946	0.7
227.11768	1.5
231.11226	0.8
234.18262	0.6
237.10295	1.1
239.11487	0.7
241.09698	0.9
243.11319	6.7
248.13139	0.8
251.11743	1.9
253.09848	0.7
253.13521	1.1
255.11328	1.7
256.09470	0.8
257.12915	0.9
259.10794	7.0
260.11105	5.9
261.11166	1.1
265.09616	0.8
267.11282	0.7
271.14450	1.1
273.12305	1.5
279.11240	2.9
281.13049	0.7
283.10760	1.7
285.12326	7.8
293.09222	1.1
297.12338	6.0
299.10681	1.1
299.13803	5.1
301.11774	5.9
302.12207	3.7
303.13339	20.3
307.10492	0.8
311.10461	1.0
319.12827	6.5
320.09656	0.9
320.13226	6.1
321.14182	6.9
323.10263	0.9
325.11792	28.5
326.12018	1.7
329.14850	1.1
337.14243	1.2
338.14178	1.5
339.14151	1.8
341.11304	1.5
343.12888	5.4
353.11282	1.2
357.14438	20.6
358.14804	1.6
359.15964	0.9
373.14151	0.7
387.15408	0.8
448.17657	0.8
462.16187	0.8
464.18011	1.2
476.18243	1.3
480.17432	1.9
482.19278	0.9
492.17685	1.3
494.19489	2.9
498.18518	1.9
506.19250	5.8
508.20819	1.4
512.20264	3.4
524.20245	4.5
530.21234	3.3
538.21625	1.9
551.11462	0.7
599.24207	0.8
601.26801	0.7
627.24457	3.2
641.25769	1.4
645.25128	2.4
659.26410	1.8
663.26337	3.3
677.27942	4.0
695.28558	1.3
695.50623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3614
Annotation	CHEBI:68912
Peak:m/z	Relative Intensity
54.36438	0.4
63.21302	0.3
65.86081	0.3
65.94599	0.3
67.05500	0.4
68.89644	0.3
69.03413	0.5
70.06604	0.4
77.43707	0.3
78.58000	0.4
81.07048	0.3
85.02928	0.5
85.06576	0.4
91.00895	0.3
91.05444	0.4
92.15647	0.3
95.08598	0.5
97.06521	0.3
105.07011	0.4
110.03433	0.7
113.93880	0.4
119.08545	0.4
120.08125	0.5
123.04248	0.4
135.04376	0.4
136.07671	0.4
137.06017	0.8
148.11188	2.1
151.07503	0.6
165.08913	0.9
167.10500	0.5
177.02748	0.3
177.05452	0.4
185.06013	0.5
193.08391	0.7
196.21408	0.4
207.10019	1.0
219.13560	0.8
231.09937	2.2
235.09454	1.4
235.13095	1.9
251.82314	0.3
263.12561	3.9
302.18683	0.4
305.17685	0.4
305.20779	1.6
315.19440	0.4
316.19843	0.7
319.22354	0.7
321.20328	1.9
331.18903	0.4
347.21933	0.7
349.19852	3.3
363.21472	0.7
401.23059	0.8
415.24768	0.5
452.29065	0.5
453.29581	0.4
468.20407	0.6
469.29160	0.8
470.30038	10.3
470.36441	0.6
471.30856	4.3
486.29483	7.5
487.30203	4.0
496.27893	0.7
497.28735	2.7
514.28961	10.5
515.29742	8.1
516.29510	0.5
533.30212	1.6
533.38080	0.4
633.35931	3.8
649.35492	5.8
659.33807	1.4
677.35022	29.8
678.35590	2.4
695.36072	100.0
696.36438	9.2
703.28918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.2
61.30836	0.2
71.02581	0.3
71.95268	0.4
72.96020	0.3
74.97633	0.3
79.05479	1.0
81.07054	2.4
92.98667	0.3
97.96781	1.1
98.97587	0.5
102.37387	0.3
105.00186	0.2
110.97567	1.6
115.00689	0.3
115.97820	0.3
123.01188	0.4
128.98605	1.7
129.02229	0.3
136.07588	1.0
137.02762	0.7
141.02278	0.4
143.00110	0.5
146.99644	0.5
152.60886	0.3
153.02161	0.4
155.03833	0.7
157.01744	0.4
159.03186	0.3
161.04909	0.2
165.02216	0.3
166.56390	0.3
167.03760	0.3
169.01747	0.3
169.05354	0.4
171.03329	0.7
173.04880	0.6
181.05389	0.3
183.03365	0.5
183.06915	0.3
185.01196	0.2
185.04832	1.6
187.06500	0.7
189.04329	0.4
191.05901	0.3
193.05322	0.5
195.03423	0.2
195.06963	1.1
197.04915	0.3
197.08539	0.4
199.06355	2.2
201.04262	0.3
201.08041	0.3
202.05023	0.2
203.05913	1.2
205.07445	1.0
207.06888	0.6
211.06412	1.0
213.04570	0.3
213.07967	7.1
216.06656	0.3
217.07446	2.2
221.08495	0.7
223.02736	0.6
223.06512	0.3
223.08360	0.6
223.10223	0.5
224.07166	0.3
225.04396	0.3
225.07959	3.2
227.05940	0.4
227.09557	0.5
229.07413	3.7
231.09006	6.8
232.09419	0.3
233.08522	0.4
235.06572	0.3
236.09622	0.5
237.04361	0.6
237.07947	1.7
239.09528	2.7
241.07423	0.5
241.11119	4.2
242.08217	0.4
243.08969	2.5
247.08412	2.1
248.09294	0.3
251.09512	5.7
253.11110	0.9
255.09036	6.9
257.10666	1.8
259.12192	4.0
260.09314	0.5
261.07938	0.6
261.10272	0.5
262.08466	0.3
264.12540	0.3
267.09039	0.8
269.10587	27.8
270.10968	0.9
271.12320	0.4
273.10068	3.2
279.08981	2.0
280.09833	1.9
281.10593	0.4
285.10233	0.4
287.11618	9.8
288.12122	0.4
292.12122	1.3
297.10104	3.0
298.10687	1.2
307.15845	0.7
313.14758	0.5
315.11194	1.2
316.11932	0.7
331.15775	9.2
332.16064	0.6
337.16867	0.3
349.16830	13.8
350.17102	0.9
367.17905	100.0
368.18216	5.6
372.18555	0.8
385.18973	13.2
386.19321	0.4
408.20486	4.2
409.20746	0.4
420.17828	0.3
480.86115	0.2
520.30493	0.3
649.32819	0.3
677.31830	0.5
695.41486	14.4
696.22211	0.3
696.42206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55457	0.5
53.03939	1.4
55.01868	2.1
55.05256	0.9
55.05508	10.5
56.34714	0.7
57.03431	0.7
57.07064	0.8
67.05507	9.9
69.03414	0.8
69.07060	4.9
69.61889	1.0
69.62298	2.1
71.04991	0.7
75.11086	0.7
77.70352	0.6
78.04686	0.7
79.05495	8.7
81.03404	3.6
81.07057	8.7
83.04968	2.2
83.08613	9.2
85.02892	1.0
87.48775	0.5
89.03909	9.0
91.05473	10.1
92.05857	0.6
93.07040	9.5
95.04965	19.3
95.08583	6.2
97.06522	2.0
97.10178	2.6
100.55525	0.6
103.05489	0.8
105.07021	10.0
105.07661	1.1
107.04950	3.3
107.08576	7.0
109.06499	2.6
109.10140	3.1
111.04176	0.6
111.08048	2.2
117.03375	25.0
117.04198	1.4
117.06998	3.8
119.08581	7.4
121.06497	1.7
121.10126	3.8
123.08056	2.3
125.09620	3.3
127.68523	0.6
129.07048	0.9
129.92166	0.6
131.08571	5.0
133.10123	7.6
134.03615	2.0
135.04379	1.9
135.08060	1.8
135.11668	2.1
137.09618	0.9
141.06989	0.7
142.12257	0.8
143.08540	1.0
145.02841	54.0
145.10120	7.6
146.03122	0.9
147.08052	1.4
147.11687	4.1
149.05972	7.6
149.09619	10.0
151.03876	0.7
151.11163	1.4
153.09102	0.8
155.08583	1.0
157.10075	0.8
158.05980	0.7
159.11691	2.9
161.13264	1.4
162.03122	10.6
163.11160	9.9
164.11522	0.8
165.12775	2.9
169.10158	1.6
171.11681	1.2
173.09654	2.0
173.11794	0.7
173.13269	1.1
175.11195	1.3
177.05464	100.0
177.12732	1.5
178.05783	2.1
183.11728	1.0
186.05479	2.0
187.07483	0.9
187.11208	0.9
189.05554	0.7
189.11200	2.7
191.14319	0.7
197.13188	1.3
203.06990	1.4
205.12140	0.7
211.07579	0.8
213.05540	1.6
213.09081	0.9
215.07021	1.8
223.13278	15.5
225.09152	1.0
227.07056	1.5
227.10683	0.8
229.19493	1.6
233.14861	0.7
239.17924	3.1
247.13184	0.8
247.20457	0.9
253.08437	0.9
257.18900	5.4
258.19421	0.7
275.20044	51.2
276.20490	2.8
291.19354	1.0
293.21088	27.8
293.24411	1.4
294.21628	2.2
295.13458	1.1
315.19305	1.2
321.83224	0.7
323.16455	1.4
325.14249	1.7
333.20328	37.8
341.17523	1.9
342.14716	0.8
387.08218	1.5
387.12601	1.2
390.29956	0.7
405.24362	0.8
408.31256	1.3
423.25333	1.7
433.23709	5.2
451.24823	12.0
469.25784	2.8
652.36328	1.2
696.35577	9.7
697.35217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44541	0.5
53.03951	1.3
55.01876	1.2
55.05511	17.8
57.03442	7.8
57.07076	11.4
61.02929	27.9
65.03958	1.5
67.05506	74.1
68.05834	0.6
69.03442	3.5
69.07071	26.3
71.04993	2.5
71.08635	5.2
73.02916	9.8
75.04475	1.1
78.96448	0.5
79.05038	1.1
79.05495	20.2
81.03417	1.8
81.07058	86.2
82.07393	1.0
82.51877	0.5
83.04983	1.7
83.08625	19.6
85.02910	26.8
85.06530	2.6
85.10175	2.7
91.03962	25.2
91.05482	14.7
93.07046	22.8
94.07359	0.5
95.04979	2.4
95.08608	75.9
96.08958	0.8
97.02896	14.8
97.06532	7.0
97.10171	12.0
98.22871	2.6
99.04460	1.6
99.08089	4.1
101.02422	0.7
103.03983	1.0
105.04518	0.9
105.07027	11.3
107.08603	18.3
109.02935	0.6
109.06481	1.0
109.10157	37.5
110.10531	1.0
110.27875	0.6
111.08111	4.2
111.11723	4.2
113.09634	2.2
115.03951	1.5
119.08586	13.9
121.10149	21.5
123.08073	1.5
123.11710	21.8
125.09600	1.2
125.13260	2.0
127.03926	10.4
127.11208	2.0
131.08575	1.0
133.10129	16.7
135.11700	12.4
137.09647	1.8
137.13260	8.6
139.11205	1.8
141.12733	3.2
143.10667	0.7
145.04953	11.5
147.11684	12.7
147.82034	0.5
149.13263	12.3
151.11194	2.0
151.14818	6.5
153.12721	1.0
155.14293	4.3
161.13264	14.5
163.06024	21.0
163.14828	11.3
165.12776	2.1
165.16393	11.5
167.14322	1.3
169.15933	0.7
175.14832	11.1
177.16379	2.5
179.14342	2.0
179.17950	6.7
181.15831	0.9
183.13838	0.7
185.77986	0.5
189.16403	5.5
193.15889	1.5
199.16893	0.7
203.18011	1.2
207.17542	1.1
217.19514	0.9
221.19130	0.6
229.14285	0.6
245.22650	64.3
246.23003	1.8
247.24248	0.7
252.03258	0.5
253.07449	0.5
263.23709	100.0
264.24109	3.8
265.25256	2.0
281.24652	2.6
337.27374	68.3
338.27744	3.6
353.24261	0.8
355.28439	18.6
356.28867	0.9
407.28036	0.8
481.31500	0.8
499.32678	5.7
526.11505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
63.11156	1.2
67.05497	1.8
69.03439	2.1
69.07067	1.7
71.68582	1.2
79.05505	2.4
81.03423	2.1
81.07065	3.6
81.77477	1.2
83.04931	1.7
86.09727	3.6
91.05488	3.9
93.07048	3.3
95.04957	1.7
97.06544	3.9
105.07043	3.0
107.08614	2.0
109.10149	2.0
119.04916	1.2
119.08603	1.5
121.10177	1.4
123.08004	1.1
133.02866	7.9
133.10071	1.3
137.06036	2.2
145.02870	2.3
145.10139	2.7
149.05969	3.1
151.11198	4.2
159.08029	1.1
173.09619	1.3
175.03969	3.5
177.05460	6.2
177.12852	1.2
186.13045	1.2
191.88289	1.3
201.05536	1.7
205.12318	1.4
207.06689	1.6
324.21701	2.9
325.10803	2.7
332.05457	1.2
367.21652	1.5
425.05383	5.8
443.06616	4.1
449.06265	14.4
455.06445	3.0
469.20773	2.2
473.07654	3.2
485.07669	7.6
487.23206	1.6
509.07629	2.3
611.10925	10.2
653.12640	84.2
654.12744	7.0
679.34027	6.4
696.38513	1.7
697.11517	100.0
697.34515	44.4
698.11774	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09547	0.4
64.84287	0.4
69.81470	1.2
80.74986	0.4
81.07049	0.4
98.23550	0.4
114.12003	0.4
115.56995	0.3
127.64704	0.4
132.60518	0.3
145.10110	0.4
164.38240	0.4
168.16331	0.4
198.44135	0.4
270.59531	0.4
282.76086	0.4
315.18430	1.5
333.20319	100.0
334.20731	3.6
351.20038	1.9
387.08340	1.3
697.33832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19489	0.7
55.05521	1.2
66.59882	0.7
67.05521	1.2
69.07051	0.8
69.24912	0.6
69.29880	1.1
69.30293	3.3
77.97254	0.7
79.05475	1.3
79.35231	0.7
81.07038	1.1
91.05430	0.9
92.98682	0.6
93.07017	1.1
95.04977	1.6
95.08589	1.3
96.95430	0.8
102.62872	0.8
105.07013	1.2
107.08589	1.2
109.10179	0.7
117.03414	1.2
119.08620	1.0
121.10130	1.2
125.09625	0.7
145.02872	1.7
145.10104	0.7
164.21133	0.8
177.05534	4.6
178.05847	1.1
189.11223	0.8
275.20105	1.6
276.20358	1.5
294.21487	1.3
333.20358	100.0
334.20700	3.0
387.08319	6.3
387.12491	1.0
438.65710	0.8
452.24850	1.1
476.45349	0.7
625.31635	1.5
697.35040	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01871	1.0
55.05487	0.5
57.03431	0.7
57.60798	0.4
61.02919	0.7
65.03944	0.6
66.28163	0.4
67.05494	0.8
68.99773	0.4
69.03429	3.5
71.04985	0.4
73.02908	0.5
77.85614	0.4
79.05483	0.8
80.21164	0.4
81.03410	4.3
81.07041	0.5
85.02901	7.6
87.00825	3.3
91.05461	2.7
93.07047	0.8
95.04962	2.3
97.02878	3.1
98.32322	0.4
99.04447	1.3
103.05470	0.5
105.01861	1.7
105.03397	0.4
105.07025	1.0
106.04178	0.6
107.04949	4.4
108.05736	1.4
109.02882	3.7
109.06543	0.4
111.04433	0.7
115.05470	0.4
117.07007	1.2
119.08576	0.4
121.06503	1.9
123.08070	0.7
127.03911	4.4
129.01843	0.5
129.07019	0.4
131.04898	1.0
131.08543	0.4
133.06465	1.2
135.04398	1.6
135.08023	1.5
136.05202	6.2
137.05986	2.9
143.04927	0.4
144.05757	0.4
145.04945	1.2
145.06418	1.0
146.07281	1.2
147.04411	0.7
147.08041	4.3
149.05975	1.0
150.06784	1.2
151.07533	100.0
152.07867	1.9
157.06526	0.5
159.02914	1.0
159.08060	0.8
160.08853	1.0
161.05998	0.5
161.09595	1.0
162.06760	0.8
163.07558	4.0
165.09102	9.9
171.08127	0.5
171.45421	0.4
172.08873	0.8
172.63380	0.4
173.05975	0.4
173.09587	0.7
174.06761	0.5
175.07539	0.8
176.08336	0.8
177.09105	9.5
178.09830	0.5
179.10632	1.1
183.13931	0.4
186.10388	0.7
187.07549	0.9
188.08284	1.8
189.09090	3.3
191.10660	3.6
195.10271	0.7
201.09094	1.5
202.09918	1.3
203.10637	3.1
205.12303	0.6
215.10611	1.4
217.12265	4.0
221.11662	0.6
231.04916	1.0
233.11668	0.8
235.13286	0.9
243.10201	1.1
261.11197	0.5
264.07608	0.4
323.16440	1.2
340.16663	12.7
341.17279	0.6
355.19019	39.9
356.19397	1.8
363.15848	0.4
373.20068	15.3
374.20291	1.0
379.19220	0.5
381.17065	0.6
397.20035	1.2
435.21848	0.8
462.32138	0.8
463.21014	1.0
481.22427	0.6
483.26093	0.4
487.05933	0.4
589.34320	0.4
698.31763	1.3
698.40625	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05257	1.5
55.05507	25.8
57.03435	6.9
57.06813	1.5
57.07074	15.7
57.37989	1.1
61.02634	2.1
61.02924	27.1
65.03919	1.5
66.50765	1.2
67.05502	37.9
69.03409	2.6
69.07065	46.4
69.69579	3.7
71.04979	2.2
71.08631	10.4
73.02921	9.6
75.04475	3.0
76.89014	0.9
79.05482	16.4
81.03407	1.8
81.07050	47.0
83.08617	39.9
85.02899	32.0
85.06542	3.3
85.10181	8.5
88.90618	1.1
91.03956	24.6
91.05464	2.8
93.07038	24.4
95.04965	2.7
95.08601	47.2
95.09218	2.3
97.02887	14.5
97.06532	9.0
97.10162	25.4
99.04410	2.0
99.08070	3.0
107.08583	17.5
109.02848	1.2
109.10153	23.0
111.08088	6.0
111.11687	7.6
121.10138	38.9
123.11717	8.9
125.09631	2.2
125.13313	1.7
127.03904	10.2
135.10657	1.6
135.11685	30.2
137.13239	4.1
139.11165	2.6
145.04962	11.3
149.13249	13.2
151.14816	3.7
153.12709	2.1
163.05998	19.6
163.14822	6.8
165.16386	4.5
167.14256	1.3
171.13821	1.3
177.16373	2.9
191.17969	2.6
247.24194	33.6
265.25256	93.6
266.25534	2.6
283.26282	20.6
339.28912	100.0
340.29324	4.3
357.29977	66.1
469.35120	1.5
490.43991	1.2
501.33994	4.5
605.82343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05509	28.3
55.05777	1.7
57.03434	8.1
57.07074	16.3
61.02924	27.8
67.05156	2.2
67.05502	34.3
69.03428	3.6
69.07066	49.7
69.07444	2.4
69.34686	3.9
71.04989	3.3
71.08630	8.7
73.02906	11.6
73.78931	1.0
75.04488	1.2
79.05494	18.0
81.03410	1.8
81.07054	46.9
83.04991	1.5
83.08121	2.5
83.08613	38.7
85.02901	37.0
85.06565	2.9
85.10197	6.8
91.03954	28.5
91.04498	2.0
91.05463	2.2
93.07040	21.2
95.04944	1.5
95.08602	46.8
97.02892	16.4
97.06526	7.7
97.10165	26.8
99.04456	1.4
99.08082	2.5
102.42929	1.0
103.03942	1.2
107.08586	18.2
109.02843	1.4
109.10149	23.9
111.08080	4.9
111.11716	9.3
113.09641	1.7
115.03922	1.2
115.07447	1.0
117.05526	1.1
121.10142	39.8
123.11707	8.5
125.09641	3.1
125.13261	1.5
127.03897	11.2
127.11194	1.2
129.09088	2.0
135.11682	31.8
137.13298	4.1
139.11189	4.3
145.04958	17.2
149.13243	14.0
151.14824	4.6
153.12730	2.4
153.16394	1.0
163.06015	32.0
163.14822	6.8
165.16414	4.7
167.14302	1.2
177.16415	3.6
181.15950	1.2
185.15392	2.0
191.17982	2.8
195.17418	1.1
199.17007	1.2
205.19498	1.4
209.06622	1.1
247.21632	2.1
247.24214	37.2
265.25256	100.0
266.25528	3.1
283.26346	20.4
339.28912	97.6
340.29245	3.7
355.61523	1.0
357.29974	82.0
358.30261	3.3
436.41626	1.1
442.57626	1.2
501.34006	1.8
657.91333	1.1
683.12109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99373	0.3
55.05455	1.6
56.96507	14.0
56.96818	1.2
71.95221	0.7
72.95983	0.9
83.08555	1.2
83.08981	0.3
84.95990	0.3
85.08475	0.3
97.96779	0.8
98.23594	0.5
105.00111	0.4
110.97524	1.2
115.00605	0.5
123.01108	1.0
123.30325	0.3
128.98540	0.9
129.02237	0.4
137.02679	0.7
137.32318	0.3
139.00613	0.4
141.02153	0.8
146.99548	0.5
151.00658	0.4
153.02161	0.7
155.03728	0.9
157.01665	0.4
159.03235	0.5
161.01176	0.4
167.03754	0.4
169.05318	0.6
171.03246	1.3
171.06885	0.4
173.04823	1.3
181.05217	1.0
183.03299	0.3
183.06906	0.4
185.04784	1.4
187.06400	0.9
189.04326	0.7
189.07846	1.1
193.05331	0.4
193.08870	0.3
195.06914	1.5
197.04674	0.3
199.06400	3.8
201.07918	0.7
203.05865	1.5
205.07391	0.5
207.07034	0.5
207.08920	0.5
209.08406	0.6
211.06329	1.2
213.07957	10.8
215.09520	0.5
217.07451	3.8
219.08936	0.6
221.08417	1.0
222.08029	0.5
223.10133	1.7
225.07988	4.1
225.11494	0.6
227.09404	0.6
229.07445	9.2
231.06828	0.6
231.09029	10.6
233.08507	0.6
237.07947	2.1
239.09512	4.2
240.06790	0.4
240.09769	0.3
241.11084	9.2
243.08995	3.9
247.08522	5.2
251.09494	8.5
252.09225	0.5
253.11086	1.4
254.10693	0.5
255.09035	4.3
257.10608	3.6
258.07523	0.4
259.12158	9.4
260.12524	0.3
261.10132	0.6
264.12680	0.7
267.09027	0.5
269.10577	43.8
270.10840	1.1
271.12225	0.5
273.10141	1.9
281.10632	0.5
282.13611	0.4
287.11639	15.9
292.12103	3.0
305.17969	0.5
309.17239	0.7
310.13306	0.6
315.16119	1.5
323.18915	0.8
333.17328	18.6
334.17438	0.6
339.18475	0.8
351.18396	33.1
352.18854	1.4
356.18710	0.4
369.19461	100.0
370.19702	4.1
374.20120	1.9
387.20505	66.3
388.20764	2.3
392.20874	0.6
410.22116	9.1
411.22778	0.6
444.23019	0.5
581.33569	0.6
655.34308	0.4
659.09167	0.4
681.42786	1.2
699.43671	36.4
700.43988	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45902	0.3
55.01868	0.9
57.03431	0.7
61.02909	0.9
65.03271	0.3
65.03930	0.5
66.04717	0.3
69.03427	2.0
69.36829	0.5
69.37216	0.8
70.06578	0.4
71.04992	0.5
73.02907	0.6
79.05491	0.7
81.03412	2.3
81.07061	0.4
85.02901	8.6
87.04458	0.4
91.03933	0.6
91.05474	0.9
93.03384	0.6
93.39821	0.3
94.04185	1.1
95.04903	0.3
97.02886	3.2
98.22713	0.5
99.04451	0.4
103.05451	1.0
107.04943	0.5
109.02862	1.0
109.06505	1.0
111.04438	0.8
115.05426	5.5
115.81308	0.3
117.07016	1.2
119.04922	0.4
122.03639	2.7
125.05993	0.8
127.03883	1.6
128.06227	0.9
129.06993	3.5
131.04922	2.8
133.02826	0.5
135.04347	0.3
137.05966	73.0
138.06303	0.7
143.04918	10.4
144.05652	1.0
145.04985	2.6
145.06447	2.1
147.07953	0.3
149.05998	0.4
151.03894	0.8
151.07510	0.5
153.05409	2.2
157.05295	0.4
157.06480	4.5
160.05186	15.2
161.05963	2.1
162.07657	0.4
163.06114	0.6
163.07520	2.0
165.05441	0.5
172.05164	2.1
173.05942	1.1
174.06812	1.7
175.07532	100.0
176.07933	2.1
177.05464	0.7
177.09050	0.9
179.06999	0.7
180.08629	1.6
185.06075	0.5
187.07527	34.5
188.07988	0.8
189.09091	6.6
191.08589	0.4
195.06563	0.5
199.07458	0.5
203.08562	1.6
205.08586	24.4
206.08890	0.7
211.07500	1.4
217.08589	3.5
219.08046	1.1
220.08778	0.3
227.06911	0.4
231.08018	2.1
232.08759	0.3
233.11583	0.3
235.09628	38.7
236.09996	1.0
239.07010	1.8
240.07843	0.8
247.07494	1.1
248.08298	2.1
249.08847	0.4
251.10614	1.0
255.06445	1.1
256.07294	0.7
259.07498	0.8
261.09021	0.4
263.10724	1.9
264.07889	0.4
265.08572	0.4
268.07278	0.5
269.08087	0.4
270.08893	2.0
271.09610	3.7
276.07709	0.8
277.08487	0.3
279.10275	1.9
280.10840	0.5
281.08163	0.3
283.09641	0.8
291.10110	5.4
292.10748	0.5
293.07977	0.5
296.10474	0.5
308.10193	0.9
309.11050	0.4
311.12766	3.0
323.12747	8.6
341.13818	13.6
342.14069	0.4
509.34119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03434	1.5
60.04503	0.9
65.03941	19.7
67.05502	2.8
68.05035	3.1
69.03431	3.5
70.06580	2.8
70.82758	0.9
71.95998	0.6
79.05488	1.1
80.05000	0.8
81.03412	1.4
81.07024	1.1
82.04186	2.6
82.11145	0.6
85.02920	2.3
86.09683	0.7
91.05480	6.1
93.03407	13.1
93.07043	1.1
95.01337	2.9
95.04961	3.6
95.08610	1.3
97.02890	1.0
97.06532	1.7
98.06052	5.3
103.05446	1.7
105.04523	0.8
105.07030	2.0
106.04158	0.9
107.04944	2.5
107.08582	0.7
108.02076	1.7
109.10146	1.4
110.03657	17.0
111.04443	18.3
115.05461	1.4
116.07103	4.9
117.03383	0.6
117.06999	0.7
119.04955	7.9
119.08615	1.4
121.02871	14.8
121.03823	0.9
121.06489	1.8
121.10118	1.0
123.04437	1.8
125.05994	20.3
127.03895	1.1
128.10066	0.6
131.04912	1.9
133.02863	1.8
133.06430	0.9
133.10127	1.0
134.08127	41.2
135.04442	1.2
137.02362	0.9
137.05963	8.1
138.03131	2.5
143.04921	0.7
145.02888	1.6
145.06473	1.7
147.04425	8.7
149.05963	1.3
149.13234	0.9
149.39792	0.7
151.03941	1.5
151.07578	2.8
152.06308	0.6
153.05469	100.0
154.05815	2.1
159.08054	4.7
161.05951	3.0
163.03917	1.1
163.07552	1.3
165.05548	1.0
165.06956	1.0
166.07747	0.7
167.07054	2.8
167.08360	0.6
173.05989	0.9
174.06787	1.1
175.07530	2.6
177.05510	3.0
179.07021	3.8
179.08470	1.3
181.04982	1.2
181.06520	1.4
187.07503	1.7
189.05409	1.0
191.06943	0.8
191.08566	1.2
192.09253	0.8
194.07285	2.0
194.31839	0.7
195.08020	3.1
196.08876	0.8
197.09601	1.0
201.16325	0.8
204.07831	1.2
205.06580	0.8
205.08530	0.7
206.07272	0.7
207.08066	2.1
208.08850	1.3
209.08072	1.7
209.09766	1.3
210.06732	1.6
211.07561	1.5
213.09181	0.7
216.07790	5.2
217.08566	1.2
218.07132	1.8
219.08134	2.9
220.08820	1.8
221.06076	1.4
222.06728	1.0
223.07579	4.0
224.08226	1.6
225.09152	2.8
226.06233	2.9
226.09883	0.8
235.07530	2.4
236.08374	3.2
237.09085	2.7
237.18436	1.7
238.06209	1.1
239.07033	4.4
239.10683	2.2
240.07774	1.3
247.07492	1.1
247.09656	13.3
249.09012	1.5
250.09789	0.9
251.07088	1.4
251.10704	4.0
252.07886	1.1
253.08568	13.4
254.09299	3.7
255.10121	1.0
256.07455	0.7
261.09131	0.8
263.07123	0.9
263.10648	0.8
264.07739	1.8
265.08588	3.6
266.09320	1.6
267.10162	2.3
269.11725	5.9
276.08014	0.7
277.08487	0.8
279.10153	2.5
281.08109	2.1
282.08893	3.7
283.09543	1.7
292.07300	0.7
293.08292	0.8
294.08823	1.8
295.09619	2.5
296.10297	0.8
297.11142	10.0
299.09186	0.7
307.09549	3.8
308.10223	0.8
309.11349	0.7
311.12866	1.0
319.09610	0.8
325.10696	66.9
326.11130	5.4
327.12250	2.1
329.13980	1.8
337.10861	0.8
339.12244	9.4
340.13028	1.5
341.13916	1.7
355.11621	2.4
357.13309	77.7
358.13766	3.3
369.13284	7.2
370.14139	4.2
387.14410	15.7
388.15115	6.6
517.18207	0.8
633.00623	0.6
700.29938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
58.02954	0.2
66.04717	0.3
67.05479	0.2
69.07069	1.0
70.43117	0.3
79.05470	0.5
81.07046	0.6
83.90652	0.1
87.14207	0.1
88.01852	0.1
91.05490	0.4
93.07038	0.3
94.04183	1.5
95.08600	0.2
97.06566	0.2
100.07574	0.2
105.07016	0.2
107.04969	0.2
107.08601	0.5
109.06528	0.2
109.10158	0.8
114.09155	0.5
122.03640	4.4
126.09140	0.4
133.10114	0.8
135.11682	0.6
135.83838	0.2
137.05968	100.0
138.06293	1.7
138.12744	0.2
142.76736	0.2
146.81497	0.2
149.53232	0.1
151.11163	0.4
153.12744	1.0
165.07072	0.2
165.90955	0.2
170.15390	1.6
172.20168	0.2
182.15402	3.7
204.09454	0.2
207.08078	0.2
218.07280	0.2
219.08049	0.5
229.08621	0.3
233.05923	0.2
233.09547	0.3
234.06870	0.2
235.07500	0.6
247.07571	0.7
247.09822	0.2
248.08302	0.4
249.09074	0.5
257.08087	0.7
261.05429	0.1
261.09097	0.7
262.06320	0.5
262.09915	0.3
263.07031	1.1
265.08667	0.4
265.12195	0.2
275.07074	1.1
276.07831	0.8
277.05713	0.2
277.08548	0.8
278.05756	0.8
278.09344	0.5
289.05139	0.2
289.08627	0.8
290.05853	0.4
290.09406	0.8
291.06607	0.6
291.09921	0.3
292.07162	0.3
293.08118	0.4
293.11740	1.0
295.09595	0.4
295.49472	0.2
303.06787	0.2
304.07224	0.7
305.08023	1.4
306.08871	0.9
306.20602	6.0
307.06244	0.3
307.09579	0.7
307.20825	0.3
308.10370	0.3
314.59137	0.2
317.04788	0.4
317.08054	0.3
319.09613	3.6
319.13147	0.3
320.06647	0.3
320.10364	3.7
321.07578	0.5
321.11169	1.2
322.08252	0.3
323.12872	0.3
331.06143	0.3
332.06842	0.3
333.07504	1.0
334.08435	0.4
335.09201	0.7
336.09888	2.5
337.10565	0.4
339.12335	0.2
346.08389	0.4
347.09061	1.1
350.07700	0.3
350.11496	0.8
351.12222	2.2
362.07565	0.3
363.08789	0.2
364.09372	1.2
365.10126	1.1
377.10309	0.3
380.08932	0.3
395.11237	35.9
396.11584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91605	0.1
59.00718	0.2
67.05475	0.2
69.58811	0.7
74.64420	0.2
77.04976	0.2
79.05463	0.3
85.02900	0.2
86.19182	0.2
90.04643	0.2
91.05466	1.0
95.04955	0.3
97.28771	0.2
105.07014	0.4
107.04915	0.6
108.05732	0.3
111.15805	0.2
115.05363	0.3
117.06951	0.2
120.05736	0.2
121.05723	0.2
121.06498	1.3
123.04480	0.2
123.08054	0.3
128.06206	0.5
129.06999	0.6
131.04904	0.2
133.06491	0.3
135.04396	0.5
136.05206	1.9
137.05971	0.9
138.06761	0.3
141.06970	0.5
143.04874	0.3
143.08560	0.5
145.06421	0.4
146.07265	0.9
147.04387	0.3
147.07979	0.2
148.05138	1.7
149.06055	0.3
150.06784	1.0
151.03893	0.5
151.07547	5.3
153.06973	0.6
154.07741	0.4
155.08542	0.4
157.06488	2.3
158.07254	0.9
159.08058	0.6
161.05963	0.4
161.53415	0.2
162.06726	0.5
163.07562	0.2
164.08334	0.2
165.05464	0.8
165.09102	4.2
166.06253	7.5
167.06827	0.2
168.05687	0.3
169.06439	1.5
170.07217	0.6
171.08051	3.2
172.08835	3.5
173.06064	1.0
173.09605	0.6
174.06781	0.9
174.10399	1.6
175.07536	0.5
176.08331	1.1
177.09108	2.6
180.07758	1.1
181.08589	16.3
182.08929	0.4
183.08076	1.0
184.08826	6.3
184.10466	0.3
185.05969	2.0
185.09416	0.5
186.06686	0.3
187.07501	0.4
188.08315	8.4
189.09064	3.0
190.09839	0.4
193.08571	0.7
195.10150	3.9
199.07600	0.4
200.08318	4.7
201.09090	5.9
202.09798	0.9
203.10657	8.6
204.07817	0.4
204.11131	0.4
205.12227	2.0
207.10115	2.1
214.09819	0.3
215.10660	34.7
216.11014	1.4
218.09349	1.3
219.10187	0.7
227.10594	0.3
231.10013	0.9
233.11711	15.8
234.12074	0.4
241.27019	0.2
245.11784	1.4
255.10286	0.4
257.11380	0.2
263.12930	0.2
275.12756	100.0
276.10294	0.3
276.13123	3.5
277.12042	0.3
283.09668	0.3
283.21054	0.2
289.12219	0.2
298.12021	1.1
301.65219	0.2
305.14398	1.5
306.12271	0.8
309.14676	0.3
319.13440	0.4
320.14114	0.3
321.11224	0.4
321.14731	0.6
322.12036	0.4
329.13867	0.4
336.13248	0.2
337.14328	1.6
351.15863	1.0
352.16614	1.7
353.13721	0.3
355.15140	0.2
368.16129	0.6
383.18497	11.5
384.18805	0.5
484.35287	0.2
641.45660	0.2
700.35803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.9
57.03438	3.5
57.07075	34.6
57.29969	0.6
61.02923	10.8
65.03924	0.6
67.05505	10.4
69.03420	0.8
69.07062	7.7
71.04952	0.7
71.08630	30.1
73.02920	3.5
75.04475	3.3
79.05497	1.0
80.62774	0.6
81.03404	0.7
81.07057	16.3
82.44834	0.6
83.08614	9.6
85.02899	14.9
85.06545	0.8
85.10180	16.3
85.10699	1.0
91.03957	12.4
92.29521	0.6
95.08601	21.3
97.02880	5.7
97.10175	9.8
97.45998	0.7
98.09193	0.7
99.04459	1.1
99.11736	1.2
105.06993	1.0
107.08576	1.0
109.02893	0.8
109.10156	11.3
111.11715	4.9
113.13260	0.6
123.11703	6.0
125.13266	1.1
127.03910	5.1
132.02670	0.6
137.13252	2.7
145.04962	5.4
151.07500	1.4
151.14786	1.4
163.06039	9.0
249.25838	1.7
267.26813	18.7
274.07584	0.7
285.27826	5.4
323.79449	0.7
341.30493	100.0
342.30698	5.7
359.31540	28.3
360.32053	1.3
490.17529	0.8
503.35831	2.8
650.22699	0.8
682.26068	1.1
700.44678	2.1
701.46448	0.8
725.48846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05259	0.5
55.05513	7.2
55.82397	0.4
57.03439	4.2
57.07079	42.0
61.02930	16.2
61.27570	0.4
67.05159	0.7
67.05507	13.0
69.03420	1.8
69.06718	0.5
69.07069	7.5
71.04967	0.5
71.08634	35.5
72.08939	0.4
73.02924	4.9
75.04491	2.8
79.05476	1.2
81.03420	1.2
81.07060	19.1
82.95680	0.4
83.08623	11.5
85.02908	18.6
85.06520	0.5
85.10184	21.2
87.04468	0.5
89.06035	0.8
91.03960	15.7
93.07041	0.8
95.08610	26.2
97.02891	8.7
97.10175	11.0
97.24074	0.4
99.04467	0.9
99.11734	2.0
101.00492	0.4
103.07588	0.8
109.02858	0.9
109.10165	13.5
111.11713	4.6
113.13292	1.6
115.03913	1.1
123.11700	5.1
125.13298	1.2
127.03919	5.6
129.29446	0.4
137.13300	3.0
139.11229	0.5
145.04956	7.7
151.14825	0.7
161.89282	0.4
163.04633	0.7
163.06017	13.8
165.16440	0.7
167.17966	0.5
249.25784	1.8
267.26843	20.2
268.27158	0.5
285.27875	4.6
302.92468	0.4
326.30606	0.5
341.30508	100.0
342.30823	4.6
342.77332	0.4
359.31561	38.2
360.31772	2.0
700.45038	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46799	1.6
72.66855	1.3
79.05510	2.3
81.07069	2.5
87.52282	1.5
93.07076	2.1
95.08620	2.7
100.05385	1.7
105.07038	1.6
118.06565	1.9
120.08124	2.7
123.60210	1.7
124.14469	1.5
128.43555	1.6
210.11560	2.6
227.12762	1.7
237.10277	2.6
239.11742	2.3
251.11723	2.4
253.13188	1.7
263.11847	3.1
277.13293	2.1
290.38611	1.7
320.13983	2.2
332.13986	3.5
344.13867	2.1
353.18066	2.3
358.15591	2.0
363.16016	2.0
367.19281	2.5
391.15448	3.3
392.15805	1.8
395.18958	3.8
397.20230	5.9
400.91617	1.8
403.15424	1.9
405.17276	1.9
407.19012	2.5
424.19278	2.4
425.19775	5.1
434.17984	2.0
437.20007	2.5
447.18060	2.1
450.20160	2.2
461.20456	2.5
462.16898	9.3
475.17520	2.5
479.20868	4.0
482.23019	7.7
483.23941	4.9
489.15536	2.3
493.22101	2.3
494.19250	8.4
510.22784	3.5
511.23352	6.2
512.24158	15.1
521.22125	5.1
525.25336	3.4
539.22949	4.5
548.20728	2.9
553.24652	5.2
554.25031	5.1
567.21967	3.6
577.20721	5.4
581.23901	6.9
595.21906	3.0
598.24323	4.1
599.24817	7.8
608.22284	7.6
609.23395	4.1
613.26941	3.8
617.23029	2.3
623.25079	7.3
626.23267	11.2
627.24445	11.5
641.26105	22.5
642.26520	4.4
651.24884	10.6
669.25513	50.2
670.25793	4.3
701.28119	100.0
701.46417	4.0
702.28687	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47855	2.2
69.74745	2.4
69.75083	8.6
93.07035	2.3
93.11551	2.4
94.03883	2.6
94.41188	2.5
98.22741	4.7
98.29148	2.3
109.77672	2.2
169.25958	2.4
211.81297	2.6
228.81078	2.4
423.21933	3.3
437.23636	2.7
607.89380	2.6
611.28479	3.8
620.80121	3.0
651.28412	8.3
669.29114	23.1
701.19434	5.1
701.31818	100.0
701.43555	5.2
702.31628	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74327	0.5
61.31985	0.6
69.75920	2.1
94.88941	0.6
98.22688	0.6
121.45319	0.5
128.90601	0.6
209.10713	0.6
223.08363	0.6
225.13843	1.2
239.15552	0.7
253.17152	0.7
287.76541	0.6
391.19525	0.7
393.21213	0.9
407.99594	0.6
409.20349	1.3
420.19336	0.7
423.21841	5.6
435.22250	0.8
437.23569	2.2
438.24387	0.9
449.23944	0.9
451.21341	1.0
463.21481	1.1
469.25995	0.9
475.21686	1.1
481.22687	1.3
491.20926	1.0
492.21616	1.7
493.22568	0.9
497.25369	0.7
507.23087	0.9
509.21118	0.8
510.26392	0.8
511.27130	1.1
522.25208	0.6
523.26813	2.0
524.27777	1.4
525.25104	0.9
529.28497	0.7
539.26495	1.7
540.27173	0.8
550.24860	0.9
551.26892	3.5
552.23511	0.9
553.27698	0.9
567.26050	2.3
571.28278	0.8
577.24115	1.0
579.26141	4.7
581.26892	1.9
583.27887	0.7
595.26147	1.3
605.23694	0.8
609.26892	1.2
610.28009	0.7
611.28857	7.2
637.26605	1.2
655.27289	3.5
669.29315	11.2
670.29694	1.4
701.31824	100.0
702.32019	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30408	1.2
72.41483	0.2
81.07070	0.2
95.08637	0.3
98.23437	0.4
115.19010	0.2
119.12680	0.2
159.02347	0.2
185.04295	0.8
203.05266	2.1
203.42157	0.2
259.07852	1.3
305.08615	0.3
347.09518	1.2
365.10538	3.3
365.14905	0.2
421.13254	1.1
539.31903	20.6
540.32251	0.9
701.37128	100.0
702.37488	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19757	0.3
53.03935	0.3
55.01882	0.5
55.05485	0.3
57.03423	0.6
60.83936	0.3
61.02922	0.8
62.54250	0.2
65.03941	0.5
69.03424	1.8
70.06591	0.8
71.04984	0.4
71.45672	0.4
79.05501	0.5
81.03413	0.9
84.04482	0.3
85.02904	5.4
86.09688	0.4
91.05482	6.0
93.07037	0.4
94.04179	0.4
95.04986	2.0
95.08585	0.3
95.19171	0.3
97.02895	1.9
99.04447	0.3
103.05476	1.5
105.07029	1.1
107.04944	1.6
107.08527	0.3
109.02877	0.5
109.06525	1.1
111.04434	0.4
115.03918	0.4
115.05474	0.5
117.06998	0.6
117.26434	0.3
119.04933	6.1
119.05737	0.5
120.91731	0.3
121.06494	1.7
122.03629	0.9
123.08068	0.5
126.57624	0.3
127.03906	1.4
128.06242	0.5
129.07016	3.4
131.04907	3.0
131.08568	0.9
133.06494	0.8
135.08063	1.2
136.05180	0.7
137.05971	28.5
138.06384	0.4
141.07002	0.3
143.04889	0.6
145.02870	0.7
145.04974	1.4
145.06479	1.0
147.04454	1.3
147.07967	0.7
149.05974	4.1
151.03896	1.1
151.07535	35.6
152.06248	0.5
152.07887	1.0
157.06479	4.3
158.07231	0.5
159.08029	0.7
160.05255	0.3
161.05974	4.7
161.09648	1.5
162.06647	0.3
163.03938	0.4
163.06242	0.5
163.07532	12.6
164.08209	0.3
165.07016	0.9
165.09131	1.8
167.07144	0.7
167.08574	2.7
169.06485	0.3
174.06764	2.9
175.03911	1.0
175.07536	3.4
176.07854	0.4
177.05591	1.8
177.06880	0.6
177.07372	0.5
177.09096	8.5
178.07741	0.7
179.07071	0.3
179.08586	0.4
181.04951	0.7
181.08693	0.5
181.10126	0.4
187.07503	0.4
189.09099	14.7
190.09361	0.5
191.06929	0.4
193.06459	1.5
193.08601	0.3
193.10127	1.8
194.07314	0.4
195.08049	6.3
195.09927	0.5
196.08684	0.4
197.09621	0.3
201.05469	0.6
201.09091	1.1
203.08620	0.3
205.06474	0.4
207.06473	2.6
207.08426	0.5
207.10193	2.2
209.07910	0.6
209.09622	1.0
210.06729	0.9
211.07608	0.9
212.08371	0.7
217.08537	0.4
219.10143	11.6
220.10670	0.4
221.06003	2.2
221.09605	3.6
221.11748	2.2
222.06705	0.3
223.07500	3.5
224.08289	0.9
225.09079	2.6
227.10663	10.5
234.06715	0.5
235.07492	0.3
237.09077	0.9
237.11250	0.6
238.06160	0.7
238.09842	0.7
239.07057	0.5
239.10547	0.3
240.07841	0.9
241.08539	0.3
241.12228	0.4
249.09087	2.2
249.11241	0.5
251.06905	0.4
252.07904	0.8
253.08609	3.9
253.12239	5.2
254.09454	0.4
255.10168	10.2
256.10706	0.6
263.10437	0.4
265.08591	0.5
266.09348	0.4
267.10141	1.9
269.08075	1.2
269.11652	0.9
270.08771	0.5
272.10355	1.0
279.10330	0.3
280.10910	0.4
281.11780	2.4
284.10397	0.8
285.11188	7.2
286.11484	0.4
287.12762	18.6
288.13040	0.9
291.09976	0.4
298.11917	0.6
299.12805	0.9
301.14508	0.4
311.12753	0.9
313.14325	14.2
325.10730	0.5
331.15372	100.0
332.15738	4.9
343.11615	0.5
343.15323	3.5
355.15689	0.4
383.14871	0.6
401.16101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87754	0.2
60.93291	0.2
61.02916	0.3
66.18889	0.2
67.05500	0.2
69.03423	0.9
69.79415	0.3
72.08162	0.2
81.03413	0.3
84.08080	0.2
85.02897	3.6
89.35145	0.2
91.03964	0.2
91.05479	0.7
97.02872	1.0
98.22708	0.2
99.04408	0.2
100.39862	0.2
103.05470	0.3
109.02860	0.3
115.05434	0.8
116.06283	0.2
117.07040	0.4
121.06549	0.2
122.03683	0.2
124.28571	0.2
127.03893	0.7
128.06206	0.8
129.06995	5.1
131.04935	0.8
131.08566	5.4
137.05974	2.8
141.06989	4.2
143.04871	0.5
143.08530	0.3
144.05699	0.9
145.04996	0.9
145.06496	0.6
146.07266	0.4
149.05937	0.3
151.07562	0.6
155.06104	0.2
157.06482	5.5
158.07285	1.7
159.04462	0.2
159.06740	0.3
159.08049	5.8
160.05183	0.7
160.08447	0.2
161.05905	0.3
161.09605	0.8
163.07544	0.8
169.06468	2.5
169.07741	0.3
170.07315	0.9
171.08018	0.5
173.05923	0.3
174.06763	9.9
175.07532	2.9
176.08101	0.2
177.09102	0.3
186.06740	3.0
187.07521	0.6
188.08412	0.4
189.09100	21.5
190.09445	0.6
191.10675	1.8
196.99205	0.2
201.09093	8.2
203.10698	0.4
207.10144	0.7
219.10152	100.0
220.10472	2.7
237.11261	2.2
247.92863	0.2
265.13010	0.2
302.57935	0.2
327.15625	0.2
362.29599	0.2
381.15356	0.8
400.96042	0.2
460.09097	0.2
552.19702	0.2
670.24066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01879	6.0
55.05255	3.5
55.05513	48.7
57.03444	13.4
57.07077	2.0
61.02947	4.3
67.05503	55.3
69.03439	6.5
69.07059	15.4
69.80042	1.8
71.46663	2.1
71.90529	1.7
79.05492	33.2
81.07058	45.0
83.05008	2.4
83.08622	28.4
85.02905	2.3
91.05479	16.6
91.66791	1.7
93.07045	38.7
95.04984	5.3
95.08611	33.1
96.41553	1.8
97.02917	1.8
97.06548	3.4
97.10175	62.0
98.23278	2.0
105.07019	10.3
107.07910	3.8
107.08595	33.9
107.09263	3.1
108.55798	1.8
109.10173	18.4
111.08105	3.4
117.07017	7.2
119.08618	8.4
121.10155	14.4
123.11736	4.0
125.09634	60.2
131.08563	5.2
133.10147	7.7
133.25507	1.8
135.08095	7.6
135.11703	7.3
135.59079	1.8
140.14360	1.8
145.10164	6.0
147.11635	5.0
149.13297	4.9
151.07579	5.0
153.09108	4.8
159.11696	4.4
159.82124	1.8
161.13248	4.8
163.14764	2.8
171.10252	4.6
173.13315	6.3
177.12767	1.8
187.14792	2.4
189.11220	46.0
189.12831	3.2
198.97025	1.9
227.12773	70.6
228.13101	2.4
243.21146	7.1
245.13846	97.1
246.14267	3.8
261.22153	26.6
279.23395	2.7
335.25797	100.0
336.26178	5.5
445.54910	1.9
487.34253	8.4
505.35260	67.5
506.35471	5.4
523.36426	3.2
535.26508	2.1
703.48364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01879	6.0
55.05255	3.5
55.05513	48.7
57.03444	13.4
57.07077	2.0
61.02947	4.3
67.05503	55.3
69.03439	6.5
69.07059	15.4
69.80042	1.8
71.46663	2.1
71.90529	1.7
79.05492	33.2
81.07058	45.0
83.05008	2.4
83.08622	28.4
85.02905	2.3
91.05479	16.6
91.66791	1.7
93.07045	38.7
95.04984	5.3
95.08611	33.1
96.41553	1.8
97.02917	1.8
97.06548	3.4
97.10175	62.0
98.23278	2.0
105.07019	10.3
107.07910	3.8
107.08595	33.9
107.09263	3.1
108.55798	1.8
109.10173	18.4
111.08105	3.4
117.07017	7.2
119.08618	8.4
121.10155	14.4
123.11736	4.0
125.09634	60.2
131.08563	5.2
133.10147	7.7
133.25507	1.8
135.08095	7.6
135.11703	7.3
135.59079	1.8
140.14360	1.8
145.10164	6.0
147.11635	5.0
149.13297	4.9
151.07579	5.0
153.09108	4.8
159.11696	4.4
159.82124	1.8
161.13248	4.8
163.14764	2.8
171.10252	4.6
173.13315	6.3
177.12767	1.8
187.14792	2.4
189.11220	46.0
189.12831	3.2
198.97025	1.9
227.12773	70.6
228.13101	2.4
243.21146	7.1
245.13846	97.1
246.14267	3.8
261.22153	26.6
279.23395	2.7
335.25797	100.0
336.26178	5.5
445.54910	1.9
487.34253	8.4
505.35260	67.5
506.35471	5.4
523.36426	3.2
535.26508	2.1
703.48364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07302	0.3
69.45116	0.9
72.28069	0.2
98.23421	0.5
99.95558	0.2
104.41784	0.2
185.04211	0.7
222.17944	0.2
259.07971	0.5
287.06491	0.3
314.51630	0.3
347.09454	1.4
348.01962	0.3
380.40771	0.3
405.09338	0.3
421.13129	0.3
516.08966	0.3
541.33441	21.6
542.33423	1.1
596.04968	0.3
703.38690	100.0
704.38898	6.4
726.44971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22994	0.3
53.11067	0.3
55.05517	1.8
56.05033	1.7
58.06596	1.6
60.86831	0.3
71.22629	0.4
71.22992	0.3
72.08157	14.2
83.04990	0.6
83.08593	0.3
84.08144	61.1
85.08478	0.8
86.09712	3.0
97.07654	1.0
125.10755	22.4
128.10725	2.2
129.10249	0.4
137.10759	0.4
138.11563	0.9
141.67996	0.3
157.09792	1.3
169.13361	15.5
172.99744	0.3
182.15454	1.1
185.16518	0.4
197.12857	13.5
198.13228	0.4
199.18060	0.9
207.18471	0.3
234.19638	3.2
241.19246	0.4
250.91136	0.3
252.17038	0.3
268.16559	14.5
269.16867	0.4
295.14597	0.3
312.26535	1.1
323.28146	0.4
353.25485	2.9
381.24963	1.7
383.30017	0.5
436.36401	0.5
439.75974	0.3
448.32767	0.3
468.36118	0.3
517.38184	0.4
579.42352	0.9
592.45221	0.4
685.51166	1.2
703.52264	100.0
704.52478	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19117	0.2
54.23176	0.2
55.05510	1.9
56.05026	2.1
57.05809	0.3
58.06600	2.0
67.05513	0.2
69.75484	0.5
69.75861	0.4
72.08151	16.4
83.04972	0.4
83.08618	0.5
84.08139	72.1
85.08482	0.8
86.09699	3.4
97.07661	0.9
114.05576	0.2
121.77766	0.2
125.10748	24.4
126.11118	0.3
128.10712	2.6
129.10242	0.4
137.10742	0.5
138.11516	0.7
139.08664	0.2
157.09711	1.1
157.13351	0.4
163.82059	0.2
167.08205	0.2
169.13354	16.1
182.15378	1.3
185.16542	0.6
188.90443	0.2
189.95470	0.2
194.70163	0.2
197.12843	14.2
199.18097	1.0
207.18655	0.5
213.99377	0.2
221.12134	0.2
224.21207	0.4
234.19623	3.1
240.17184	0.3
241.19139	0.3
252.17076	0.3
252.73245	0.2
268.16556	16.9
268.66907	0.2
269.17017	0.4
270.18158	0.3
289.13144	0.2
311.72293	0.2
312.26419	1.1
323.28021	0.6
333.26410	0.4
353.25421	2.5
380.26495	0.2
381.24957	1.8
383.30276	0.4
410.70740	0.3
436.36487	0.5
468.35483	0.4
478.34009	0.3
517.38544	0.6
533.38068	0.3
579.42145	0.7
592.45978	0.4
653.55170	0.2
677.09137	0.2
685.51819	1.0
703.52222	100.0
704.52509	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01878	3.7
55.05515	6.3
55.62786	0.8
56.33482	0.9
56.87439	0.8
57.03440	3.9
57.07071	1.0
65.03942	3.0
67.05508	14.3
69.03429	15.6
69.07073	4.1
70.00569	2.6
70.06599	1.2
71.04996	2.4
73.02914	1.5
79.05496	13.4
81.03410	5.7
81.07059	89.5
83.04972	2.1
83.08618	2.4
85.02903	26.8
85.06557	0.9
87.00816	8.9
87.04509	1.3
87.26735	1.2
91.05484	13.8
92.54630	0.8
93.07049	22.0
93.07602	1.7
95.01335	23.4
95.04976	6.5
95.08611	44.7
96.08956	1.4
96.97872	0.8
97.02897	42.7
97.06546	4.0
97.10191	4.3
98.22739	1.9
99.04469	3.1
103.05506	1.5
103.14745	0.9
105.01871	15.1
105.07035	38.7
106.07352	1.0
107.04971	1.6
107.08595	26.4
109.02875	8.7
109.06526	3.6
109.10157	18.1
111.04478	1.5
111.08071	2.6
113.02373	22.2
113.05977	1.1
117.07053	2.6
119.04935	1.5
119.08586	61.9
121.06541	3.8
121.10154	17.9
122.07364	1.1
123.00795	35.9
123.04462	1.4
123.08089	3.7
123.11716	24.8
125.02349	14.5
125.09644	2.0
127.03922	15.6
128.06210	1.7
129.07047	2.0
130.07773	1.4
131.04961	1.0
131.08577	8.4
133.06454	1.3
133.10127	25.8
133.11151	1.3
135.04422	1.2
135.08101	5.6
135.11693	17.9
136.12480	1.1
137.05974	2.9
137.09595	6.4
139.07532	2.5
139.11224	0.9
141.01840	22.4
141.09143	1.6
142.07770	2.1
143.03409	12.3
143.08560	5.0
144.09322	0.9
145.04961	11.3
145.06429	1.3
145.10144	5.4
147.08060	1.7
147.11691	14.0
149.09634	2.9
151.07561	1.9
153.09091	6.0
155.08612	2.2
156.09334	1.4
157.06538	1.7
157.10129	9.6
159.02914	4.0
159.08066	2.1
159.11700	21.2
160.11995	1.0
161.05966	1.0
161.09654	4.3
161.13261	43.5
162.13589	1.0
163.07494	2.0
163.11317	1.1
165.09119	56.5
169.01318	21.0
169.10126	1.5
171.07994	1.4
171.11719	3.8
173.09666	2.6
173.13255	2.7
175.11186	3.3
177.05467	2.7
177.08942	1.3
179.08531	1.2
179.10684	2.1
183.08125	1.2
183.11687	0.9
185.09636	1.1
185.13290	1.8
187.02383	6.5
187.07564	1.2
187.11224	1.2
187.14885	3.2
189.16389	100.0
190.16782	3.3
193.10170	0.9
195.11688	2.2
197.09608	2.1
197.13281	2.6
199.14798	4.4
201.12708	1.4
203.07034	1.1
205.12317	1.5
209.09537	1.6
211.11171	1.1
213.12843	1.2
213.16444	1.0
215.10670	1.5
215.14323	6.3
217.15889	25.1
231.04915	8.3
233.15382	6.2
233.85652	1.0
234.71771	1.0
235.16928	55.6
236.17288	2.0
249.05998	6.5
251.14375	1.4
252.19722	1.5
259.17001	1.8
267.08493	1.5
283.16965	2.2
284.09793	2.3
293.15494	1.7
295.16861	1.2
297.18420	1.7
301.17828	1.6
311.16452	7.5
313.18097	2.6
321.14841	1.6
325.18073	4.8
329.17520	3.8
337.23654	1.9
339.15982	4.1
341.17398	1.4
343.19250	2.5
357.16934	11.1
358.03836	0.9
361.20120	2.1
367.15372	2.3
375.17783	4.6
385.16483	3.0
403.17371	4.3
417.06696	1.8
421.18658	1.1
429.19043	1.3
438.21222	2.8
447.19977	3.9
465.21262	3.6
471.31030	1.9
489.31943	4.0
655.32458	1.0
703.48938	1.6
704.32837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03935	0.3
53.99799	0.1
55.01867	0.6
56.58252	0.2
57.03435	0.4
61.02921	0.6
66.04707	0.5
67.05476	0.2
69.03439	1.5
69.24544	0.9
73.02899	0.2
79.05520	0.8
80.75907	0.1
81.03403	0.6
81.07061	0.5
81.47684	0.2
84.08122	0.2
85.02908	5.7
91.03947	0.3
91.05479	1.8
93.07037	0.3
94.04194	2.0
95.04962	0.5
97.02891	1.5
99.04444	0.3
103.05467	5.9
105.04508	0.3
105.07035	3.2
107.04967	1.1
109.02870	0.4
109.06519	1.1
115.05453	0.5
117.07035	0.9
119.04952	0.7
121.06516	3.1
122.03651	5.2
123.08059	0.6
127.03929	1.0
127.05332	0.2
128.06212	1.0
129.07002	0.7
129.10262	0.2
131.04939	8.7
131.08603	0.3
133.06496	17.4
134.06795	0.2
135.08058	5.7
136.05145	0.3
137.05980	100.0
138.06331	1.4
141.07011	0.2
143.04947	0.4
143.08554	1.5
144.05650	0.2
145.05019	1.1
145.06488	3.8
147.08035	1.6
149.05997	1.2
151.07549	6.6
155.06065	0.2
157.06482	1.7
159.08061	0.5
160.05190	0.4
161.05913	0.5
162.06688	0.4
163.07545	26.4
164.07910	0.5
165.09128	0.5
171.08061	2.3
174.06750	1.2
175.07539	2.3
177.09166	0.8
187.07524	0.8
188.08315	1.1
189.09116	3.5
191.10760	0.3
203.08740	0.3
203.10667	5.3
204.11038	0.3
207.08136	0.3
207.10095	0.2
217.10271	0.3
220.08751	0.2
221.11661	1.1
235.11218	0.8
245.09641	0.6
248.08315	0.4
263.10687	1.7
265.12091	0.1
266.35776	0.2
295.13290	14.1
296.13596	0.5
312.13437	0.3
327.15912	37.6
328.16245	1.4
341.06418	0.2
345.16974	6.3
365.43716	0.2
381.71436	0.2
429.90182	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.5
71.46183	0.3
78.04706	0.6
79.05486	2.4
81.07057	0.3
91.05470	2.4
92.09698	0.3
95.04959	0.9
103.05473	0.7
104.37228	0.3
105.03381	0.3
105.07024	1.1
106.04172	0.5
107.04953	5.4
117.06993	0.8
119.04962	2.7
121.06503	2.6
122.03679	0.6
123.04411	2.0
124.05186	1.3
125.06009	0.3
128.06230	0.5
129.06944	0.5
131.04922	0.6
133.02841	4.8
133.06491	0.7
135.04428	0.5
136.05164	1.2
137.05988	5.6
141.06973	0.6
145.06480	2.8
146.07233	1.2
147.04396	3.4
147.11754	0.3
149.05966	1.5
150.06757	0.6
151.07530	15.4
152.04694	1.2
153.07028	0.6
157.06538	1.6
158.07272	0.8
159.08084	0.7
161.05914	0.8
163.07549	0.4
165.05457	1.3
165.09116	4.6
167.07028	35.2
168.07359	0.8
169.06430	1.5
170.07253	1.0
171.08026	2.7
172.08813	3.4
173.05984	1.2
173.09496	0.4
174.06746	1.3
174.10406	1.2
175.07513	0.7
177.05473	0.4
177.09082	3.4
179.06989	2.6
181.08568	3.6
183.08052	0.7
184.07307	0.7
184.08827	5.5
184.10309	0.6
185.06000	1.4
185.09540	0.6
187.07562	0.4
188.08313	7.4
189.09096	9.7
193.08636	2.0
199.07570	0.6
200.08305	4.6
201.09108	3.2
202.09813	0.5
203.10655	7.9
205.08606	0.9
205.12144	1.6
215.10658	33.4
216.11055	1.1
218.09344	1.1
231.10126	0.8
233.09695	0.8
233.11720	13.6
234.06783	0.6
234.12120	0.4
235.11154	0.5
245.11760	0.8
246.10411	0.9
247.07529	0.4
249.11226	0.4
251.10699	0.7
255.10123	0.5
259.07532	0.4
261.09134	1.3
262.09833	1.0
263.10666	1.3
273.09042	0.4
274.09848	0.9
275.12762	100.0
276.08075	0.5
276.13174	4.8
277.08566	1.4
277.11893	1.7
278.12845	0.7
279.10101	1.0
283.09528	0.5
289.08508	0.8
290.09341	1.3
291.10068	1.4
291.12479	1.0
293.11746	0.6
294.12335	0.9
299.12726	0.4
305.11679	4.6
306.12390	1.0
307.09689	0.7
309.11078	1.4
309.14865	1.5
315.12054	0.3
319.13275	0.4
322.11890	0.8
323.12946	0.7
327.12228	0.5
337.14319	8.6
338.14856	1.3
354.14667	0.5
355.15189	0.4
355.19116	0.9
369.16949	12.7
370.17325	0.7
397.16370	3.4
429.19171	0.9
457.18243	1.5
487.23074	1.0
613.04425	0.4
704.27893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20918	0.4
66.80297	0.4
69.74778	0.4
70.12257	1.1
83.95364	0.4
87.53673	0.4
92.92573	0.4
94.93021	0.9
98.23447	0.6
112.89609	3.7
114.89327	2.1
199.99100	0.3
208.97313	0.5
212.84242	1.0
214.84062	0.6
248.89757	0.6
274.96002	0.4
458.39960	0.4
496.93262	0.4
502.45148	0.4
543.13239	19.6
544.13098	0.8
632.55682	0.4
671.52765	0.4
705.18439	100.0
706.18597	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15556	1.2
76.43843	0.5
82.30810	0.5
87.96035	0.6
99.69939	0.6
109.91673	0.8
112.89627	1.2
114.89312	0.8
121.01325	0.6
178.16545	0.5
381.07855	0.8
423.07974	0.8
498.66507	0.8
543.13232	20.1
705.18451	100.0
706.18390	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01866	0.9
55.72672	0.2
57.03431	2.1
61.02918	2.7
62.28120	0.2
69.03423	8.2
70.48248	0.5
71.01351	0.2
71.04985	0.7
73.02908	1.0
74.30712	0.2
75.42513	0.2
81.03407	3.6
83.01328	0.4
85.02897	29.6
87.04462	0.6
91.03951	1.1
92.66866	0.2
97.02884	10.0
99.04443	1.3
101.63935	0.2
102.84431	0.2
103.03886	0.2
104.60061	0.2
109.02865	2.7
115.03934	0.4
127.03902	4.9
127.46491	0.2
137.05922	0.4
145.04941	6.1
146.05199	0.3
163.06032	0.8
165.05490	0.4
172.37691	0.2
172.93257	0.2
175.07898	0.2
176.06303	0.3
178.07823	0.4
189.06982	0.3
190.07747	0.2
194.46303	0.2
205.06425	1.0
206.07272	2.0
208.09018	0.3
217.06645	0.3
218.07199	0.3
219.08000	0.5
220.08878	0.3
221.05948	0.4
232.05202	0.3
233.05980	2.0
234.06715	3.9
235.07474	1.2
236.08290	0.6
244.05208	0.3
246.06770	0.7
247.07518	0.7
248.08305	1.6
249.05475	0.5
249.09045	2.0
250.06186	0.3
251.07007	0.6
251.10646	0.7
261.05511	0.6
262.06229	2.3
262.13867	0.2
263.06976	2.6
264.07791	1.2
265.08594	0.8
266.09268	0.3
267.10126	0.3
274.06311	1.0
275.07037	0.6
276.07767	1.2
277.05484	0.5
277.08551	11.3
278.05988	0.4
278.09244	1.6
279.06564	0.8
279.10141	2.5
288.59586	0.2
289.04910	0.4
290.05637	1.1
291.06454	2.9
292.07254	1.0
293.08081	0.5
294.08899	0.8
295.09634	0.8
303.06323	0.2
304.07278	0.8
305.08044	13.1
306.08481	0.7
307.06277	0.3
307.09589	3.0
308.10193	0.2
309.11188	1.8
310.08405	0.2
319.05991	3.0
320.06647	0.9
321.07623	0.5
323.09100	1.7
325.10654	0.4
333.07526	15.1
334.07941	0.8
335.05331	0.5
335.09058	3.6
336.09460	0.2
337.10657	5.5
338.10840	0.2
347.05545	0.2
349.06998	0.6
350.08185	0.3
351.08578	8.7
363.08585	11.6
364.08862	0.6
381.09634	100.0
382.09998	4.4
543.14587	0.8
634.55090	0.2
706.52112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25673	0.4
60.35059	0.4
65.03931	0.5
66.97134	0.4
67.05497	0.7
69.03428	0.5
69.84187	1.0
73.66217	0.5
77.35386	0.4
78.04693	0.5
79.05479	1.4
81.03429	0.5
85.02883	0.8
91.05472	2.9
93.07037	1.5
95.04958	1.2
97.77805	0.4
105.07050	1.3
106.04118	0.7
107.04932	3.4
108.05736	1.7
109.06548	0.7
117.07047	0.7
119.04971	0.5
121.06531	1.9
123.04446	0.6
123.08054	0.6
127.03933	0.6
129.07005	0.8
131.04953	0.6
133.06491	1.2
135.04425	1.9
135.08089	1.1
135.70520	0.5
136.05186	5.7
137.05986	1.7
138.06699	0.8
141.07002	0.9
143.08559	0.7
145.06473	1.7
146.07300	1.9
147.08015	0.7
148.05177	5.1
149.05942	0.6
149.09680	0.5
150.06786	1.6
151.03918	1.3
151.07529	37.1
152.07893	0.9
153.07057	0.5
153.85655	0.4
154.06274	0.6
155.08519	1.1
157.06461	2.4
158.07286	1.8
159.08092	1.1
161.06068	0.7
162.06824	0.6
163.04025	0.5
163.07562	1.4
164.08388	0.4
165.05461	1.5
165.09108	6.0
166.06242	16.0
166.07585	1.0
167.06975	0.8
169.06548	1.5
169.08662	0.6
170.07320	0.7
171.08034	3.2
172.08832	2.3
173.06020	1.0
173.09598	0.7
173.54245	0.4
174.06786	1.5
174.10356	1.0
175.03983	0.5
175.07527	1.1
176.08301	3.1
177.05481	0.9
177.09109	5.6
180.07788	2.2
181.08580	43.4
182.09070	1.4
183.07997	0.8
184.08838	5.3
185.05948	2.3
185.09447	0.6
186.06770	1.6
187.07520	0.6
188.08313	4.9
189.05548	0.7
189.09099	4.6
191.07004	0.6
191.10583	0.6
193.08568	2.1
195.10139	5.8
199.07568	1.3
200.08305	5.3
201.09074	7.3
202.09875	1.4
203.05318	1.1
203.10632	4.7
204.07877	0.6
205.12241	1.3
207.06555	1.0
207.10172	4.7
214.01440	0.4
214.09871	2.1
215.07153	1.8
215.10655	28.3
216.11151	1.0
218.09346	0.7
219.10123	4.3
230.09407	0.8
231.10167	1.0
233.11737	8.3
245.11781	3.2
255.10101	1.0
263.12939	1.4
275.12775	15.3
277.12393	1.1
283.09729	0.9
291.10114	0.8
298.11978	2.0
299.09244	0.6
299.12729	0.5
305.11630	1.7
305.14301	1.0
306.12625	1.8
307.09793	1.0
309.11450	0.5
314.11624	0.5
320.14081	1.3
321.11261	0.9
321.14828	0.7
322.11884	0.7
329.13651	0.8
337.14233	3.7
352.16611	4.2
353.13885	1.1
353.36465	0.5
355.08438	0.8
355.15387	0.8
368.16238	1.9
381.09659	1.0
382.10498	0.7
383.18512	5.8
465.18954	2.9
467.20483	0.9
525.21039	10.2
526.21741	0.7
527.22626	1.2
645.24927	1.1
705.27142	100.0
706.27625	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4029
Annotation	Voacamidine
Peak:m/z	Relative Intensity
55.05473	0.4
57.07071	0.7
61.96086	0.4
67.05486	0.8
87.04469	1.7
117.42099	0.5
129.98314	0.4
169.21095	0.4
184.07420	0.8
185.04257	0.6
189.52179	0.4
203.05321	1.2
248.93137	0.5
259.07980	1.4
277.82724	0.5
347.09631	1.6
363.75311	0.5
365.10608	3.0
383.37439	0.5
421.13080	0.9
543.34979	22.6
544.35480	1.7
673.28455	1.4
705.40295	100.0
706.40515	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4028
Annotation	Voacamidine
Peak:m/z	Relative Intensity
50.33510	0.2
61.04107	0.2
69.46918	0.7
81.07035	0.2
98.22965	0.7
107.08643	0.2
127.83514	0.2
137.21997	0.2
151.98845	0.2
155.55336	0.2
184.07370	0.6
185.04176	0.9
251.62686	0.2
259.07932	0.4
262.91574	0.2
303.90427	0.2
347.09601	0.9
381.29523	0.2
382.25067	0.2
407.10007	0.2
543.35028	21.8
544.35382	1.7
608.26367	0.4
705.40259	100.0
706.40588	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76697	0.4
55.64335	0.4
57.07056	0.4
69.90366	1.3
87.04485	1.6
250.54781	0.4
303.29047	0.4
371.40375	0.5
417.16037	0.6
418.16803	0.7
431.17776	1.2
432.17792	2.2
433.19473	0.6
445.19943	1.1
446.20023	4.8
447.20486	1.3
459.20197	0.4
460.17688	2.4
460.22314	1.4
461.17947	0.6
462.23306	0.7
474.18280	2.7
475.19760	3.0
488.20361	0.9
488.25018	0.6
489.21036	0.7
489.25479	0.7
490.22473	0.8
500.24454	0.8
502.22229	2.4
516.24042	1.8
517.24738	6.0
518.25134	1.0
520.22833	0.5
530.22150	1.3
532.27228	3.6
545.24243	6.4
546.25330	2.2
548.26312	0.9
549.24976	1.9
560.26520	13.4
561.26764	1.2
562.24426	1.1
576.26416	1.6
577.26447	0.6
590.28467	1.0
604.29242	3.1
609.26575	0.7
618.31036	4.0
619.31696	5.6
632.28741	11.7
633.28546	0.9
646.30121	2.2
647.31018	46.9
648.31152	3.9
706.32312	100.0
707.32697	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.5
70.06583	0.6
71.46965	0.4
79.05463	0.4
81.03428	0.3
81.07046	0.4
85.02893	0.6
86.09687	0.5
89.03911	0.3
91.05473	0.4
93.06995	0.4
94.06551	1.5
95.04945	0.7
96.08094	0.5
97.02840	0.4
97.06515	0.7
105.06968	0.3
108.08092	1.0
109.10071	0.4
110.06023	0.8
110.09646	0.8
116.04943	1.3
119.04877	0.3
120.08083	1.0
121.10107	0.3
122.06036	3.8
124.07599	2.5
134.05952	0.3
136.07584	4.1
137.05980	0.3
138.09117	1.3
140.07034	0.6
144.04460	3.2
146.06009	0.4
148.07568	0.6
149.07042	0.5
150.05502	2.6
152.07053	0.9
158.09651	0.4
160.07533	0.9
162.05516	1.5
164.06990	0.6
166.08658	1.9
168.06554	0.4
170.09624	0.4
172.03931	14.7
172.07523	0.6
174.09106	0.4
175.12328	0.5
182.08165	0.8
184.07503	0.5
185.08363	0.4
186.09109	3.3
187.08664	0.8
188.07042	0.8
188.09383	0.7
189.10255	0.4
190.04950	2.3
196.07558	0.6
198.09222	0.6
200.10678	1.1
201.10190	1.0
202.08664	0.3
202.10939	1.5
203.11806	3.8
204.06552	20.4
205.06934	0.6
210.09229	0.6
211.08653	0.4
212.06880	0.3
213.08372	0.4
213.10199	2.1
214.06859	0.5
214.08675	6.4
214.10663	0.4
215.08142	3.6
215.11662	0.5
216.08760	0.5
217.09738	0.8
227.11786	0.8
228.10246	2.6
229.09706	5.0
230.10457	3.8
231.11269	4.4
232.11900	0.4
238.08482	0.5
239.08148	0.3
240.08946	0.3
241.09763	2.4
242.08154	1.5
242.10185	0.4
243.11227	1.3
244.12025	1.2
245.09238	0.8
245.12758	1.4
247.10785	1.1
251.11902	0.4
255.11282	3.0
256.09650	2.2
257.09232	1.3
257.12863	2.5
258.09930	1.5
259.10764	47.7
260.11145	1.8
261.12378	0.4
271.10651	1.6
272.11523	1.9
273.12338	8.8
274.10501	0.6
275.10257	0.8
283.10745	2.6
284.09412	0.4
288.12274	0.3
289.11844	4.0
290.12567	0.9
297.12271	0.4
299.10358	0.8
300.11032	1.8
301.11816	40.4
302.12149	1.4
305.08194	0.4
305.14972	0.4
308.06815	0.4
315.13354	2.9
318.12024	2.0
319.12903	0.8
320.06781	1.0
325.11810	3.5
333.14426	100.0
334.14728	3.5
335.09213	0.3
343.12875	0.4
349.13855	0.6
351.15482	20.1
352.15744	0.9
357.14371	2.2
364.05838	0.7
379.08157	3.2
397.09229	2.4
463.17950	0.4
486.16458	0.5
504.17386	0.7
524.20404	0.5
689.27991	4.5
690.27710	0.4
707.27124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.6
68.96122	0.5
69.32091	2.2
76.47330	0.5
85.01635	0.5
87.04472	2.1
96.54309	0.5
122.20453	0.5
184.07405	0.9
200.16243	0.5
214.67441	0.5
300.65808	0.5
337.62479	0.5
343.39279	0.5
465.39709	0.5
535.26733	0.7
537.23669	0.6
545.25842	0.5
644.90631	0.5
707.37585	100.0
708.38013	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39119	0.5
62.55335	0.6
63.90346	0.5
71.12625	0.7
71.23120	0.5
76.80607	0.5
82.88147	0.6
87.04443	1.2
116.23314	0.6
121.07887	0.5
261.41040	0.6
429.15427	0.7
489.16440	0.7
549.13885	0.6
582.21912	0.7
707.37579	100.0
708.37744	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
55.05510	1.9
57.03430	2.0
61.02922	5.6
67.05514	4.7
69.03427	3.4
69.07067	1.3
73.02914	3.5
76.07471	0.5
79.05471	3.3
80.65937	0.5
81.03425	1.8
81.07048	6.0
83.04985	0.7
83.08626	1.0
85.02885	5.5
87.32610	0.6
87.34715	0.6
91.03954	3.4
91.05500	1.5
93.07021	3.1
95.04969	0.7
95.08621	2.7
97.02874	4.1
97.10200	1.0
99.04432	0.6
101.02359	1.2
105.07024	1.2
107.08582	2.1
109.10173	1.6
117.07132	0.7
119.08583	0.8
121.10171	1.1
125.09666	1.7
127.03909	1.4
131.08533	0.7
133.10135	0.6
135.11685	0.8
145.10179	0.8
163.47433	0.6
168.03607	0.5
185.04298	0.8
211.09535	1.6
243.08403	1.5
279.18585	0.6
317.11292	0.6
335.25934	1.0
429.17410	3.7
447.53558	0.7
458.98685	0.6
491.31598	0.7
517.48749	0.6
519.29279	7.0
621.27435	0.9
707.39661	100.0
708.40039	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05509	1.4
56.40863	0.6
57.03442	1.3
59.04992	0.6
61.02919	4.2
67.05508	5.5
69.03436	2.3
69.07063	1.2
73.02924	2.3
79.05479	3.2
81.03426	0.9
81.07071	3.2
85.02925	3.7
91.03982	1.8
91.05508	2.2
91.64495	0.7
93.07076	2.4
95.04980	0.8
95.08628	1.5
97.02918	2.3
101.02379	1.2
105.07059	2.2
107.08630	1.2
109.10152	5.1
111.45676	0.7
113.36020	0.6
117.07076	1.3
119.08607	2.0
127.03893	0.8
129.64375	0.6
131.08565	0.8
131.35109	0.6
133.10197	1.3
135.11725	0.7
136.38226	0.7
139.86557	0.6
147.11749	0.8
158.65910	0.6
173.11807	1.6
185.04332	0.7
199.29059	0.6
217.60944	0.7
243.08458	2.4
280.73727	0.7
292.42242	0.6
301.08859	0.7
366.47913	0.7
403.21506	2.6
413.17761	8.7
485.20120	0.9
535.28827	4.3
606.17578	0.7
623.24701	1.1
707.39740	100.0
708.40344	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05503	2.6
57.03440	8.2
57.07038	0.5
61.02925	2.3
65.03923	0.6
67.05173	0.5
67.05502	8.1
69.03408	1.1
69.07073	2.7
71.04968	0.8
73.02905	0.9
79.05481	8.2
81.03400	0.6
81.07054	9.6
83.04971	0.8
83.08600	1.7
85.02906	3.1
85.06522	2.3
91.03963	2.0
91.04958	0.8
91.05480	13.5
93.07040	10.2
95.04941	1.7
95.08597	6.5
97.02860	1.2
97.06519	1.6
97.10146	1.1
99.04469	2.3
99.08095	0.5
105.06350	0.7
105.07030	11.3
107.04942	2.6
107.08589	6.8
108.08882	0.4
109.06510	2.4
109.10146	3.3
110.38128	0.4
111.08060	1.1
117.07011	5.7
117.51672	0.5
119.08580	9.7
120.21284	0.4
121.06493	1.5
121.10134	5.1
123.08012	1.2
125.09659	0.4
127.03876	0.5
129.06998	1.8
130.92982	0.4
131.07028	0.9
131.08577	9.5
133.10112	6.7
135.08032	1.5
135.11687	2.5
135.12509	0.4
137.09589	1.7
137.57373	0.5
141.07057	0.6
143.08534	1.7
145.04977	0.6
145.10114	5.9
147.11678	3.1
149.09572	1.9
149.13199	1.0
153.12712	1.0
157.10098	1.1
159.11646	3.8
161.09601	0.5
161.13243	0.9
163.05992	0.5
163.11118	0.5
171.11707	0.6
173.13290	1.6
175.11136	0.4
175.14697	1.2
183.11661	0.4
185.13246	2.1
201.16336	2.3
203.14349	2.0
209.15402	0.5
219.17430	67.9
220.17729	2.7
229.14334	0.6
239.18040	0.8
257.18982	1.3
261.51581	0.4
267.15747	0.8
275.17090	0.5
275.20084	9.4
276.20370	0.5
283.19043	0.7
293.21069	0.7
349.23721	100.0
350.24039	5.3
367.24738	4.4
401.16525	0.6
511.28967	2.1
676.35803	0.4
701.87891	0.4
708.39709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
55.01868	1.6
55.05511	10.1
57.03440	1.9
59.04999	0.9
61.02917	3.1
65.03941	0.7
67.05501	14.6
69.03413	1.7
69.07058	3.7
69.26739	3.7
71.04986	1.6
73.02924	1.6
79.05492	19.5
81.03416	1.3
81.07058	9.7
83.04983	9.5
83.08598	3.7
85.02901	3.1
85.06541	1.0
91.03944	1.5
91.05470	8.3
93.07039	11.6
95.04955	2.6
95.08603	5.4
97.02865	1.4
97.06515	0.9
97.10155	4.6
105.07027	9.2
107.04943	5.8
107.08587	15.0
109.06516	0.8
109.10157	6.8
111.08052	1.6
115.36948	0.7
117.07023	3.1
119.08578	6.8
121.06445	0.8
121.10136	5.6
123.11724	1.9
125.09638	4.5
127.03984	0.7
131.08551	4.6
133.10133	6.8
135.08073	1.5
135.11659	2.1
137.09641	1.0
145.10107	4.1
147.11667	5.2
149.09615	18.1
149.13242	1.0
153.09142	1.2
157.10173	1.0
159.11688	2.2
161.13261	1.9
163.06110	0.7
163.14790	1.8
169.10037	0.9
169.12283	2.0
173.11832	1.0
173.13268	1.7
177.12708	0.9
183.11668	1.1
187.13318	0.8
189.11234	2.7
191.14337	1.0
209.15358	2.7
227.12836	3.9
229.19539	1.7
245.13921	1.9
247.20705	0.8
257.18893	1.5
275.20041	19.4
275.22934	1.3
324.49060	0.8
349.23721	100.0
350.24103	7.3
367.24811	10.7
511.29672	0.9
622.83154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.5
57.03432	3.1
57.07069	1.6
59.44657	1.1
61.02632	1.5
61.02923	20.0
67.05499	36.6
69.03417	4.2
69.07062	6.5
71.04989	1.8
71.07462	1.4
71.08623	1.5
73.02911	5.0
75.04441	1.1
79.05486	27.3
81.03426	1.8
81.07053	41.2
81.19651	1.1
83.08601	3.9
85.02898	29.6
85.06554	1.7
87.04481	1.2
91.03954	23.2
91.05473	12.7
93.07040	34.7
95.04928	2.4
95.08601	35.6
97.02888	17.5
97.06525	2.5
97.10164	3.8
99.04491	1.2
99.08088	3.6
101.89428	1.1
105.07002	8.6
107.08591	23.6
107.29449	1.2
109.10142	21.0
111.08089	1.1
113.09634	1.9
115.03909	1.6
117.07005	5.5
117.63036	1.2
119.08578	9.5
121.10138	22.6
122.57353	1.3
123.11701	12.5
125.09612	2.0
127.03919	12.8
131.08556	14.1
133.10114	8.4
135.11691	19.5
137.13222	5.5
137.97995	1.3
139.66953	1.1
145.04951	12.4
145.10086	9.8
146.74057	1.0
147.11659	8.4
149.13246	14.9
151.11176	2.0
151.14810	2.7
159.11693	9.5
161.13287	8.1
163.06000	16.8
163.14783	11.6
165.12674	2.9
173.13255	10.5
175.14824	1.9
177.12794	1.4
177.16364	5.0
179.14384	2.0
184.07329	5.9
187.14832	4.8
191.14302	2.3
201.16393	3.4
205.15846	2.2
233.22588	3.1
243.21078	34.1
244.21413	1.2
261.22128	100.0
262.22391	3.9
263.23526	1.4
279.23102	2.9
335.25800	15.0
336.26260	1.4
353.26852	65.3
354.27164	3.6
708.41034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
64.47143	0.4
67.05507	0.7
73.02913	2.0
74.87637	0.3
81.07047	0.6
83.04996	0.5
85.02900	3.2
85.03249	0.3
86.24878	0.3
93.07066	0.4
97.02901	0.5
105.07080	0.6
109.10190	0.4
119.08660	0.5
127.03927	0.4
127.56942	0.4
155.00731	0.4
253.06976	0.6
271.07986	1.6
301.94376	0.4
303.67209	0.3
311.07324	1.9
329.08408	12.4
329.12335	0.7
330.08817	0.4
336.31354	0.4
372.36877	0.4
403.07864	40.0
404.08270	2.0
444.10730	0.9
631.69427	0.4
708.43652	0.9
709.17322	100.0
710.17596	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26192	0.2
60.73576	0.2
67.82820	0.2
70.06586	0.5
70.25497	0.3
85.34727	0.2
98.23394	0.3
111.04211	0.2
113.02126	0.3
143.95296	0.2
157.04712	0.4
158.05548	0.2
159.04172	9.5
160.04491	0.3
169.04678	0.3
185.04227	1.3
186.04991	0.3
299.05560	0.6
322.10162	2.3
369.13184	0.3
384.15289	0.3
385.16153	3.0
393.15231	0.4
531.18774	0.8
546.20337	0.5
547.21472	16.8
548.21973	1.1
709.26691	100.0
710.27057	7.9
710.39587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	0.3
84.54930	0.3
91.94889	0.3
151.07530	9.0
167.07002	1.8
170.53122	0.3
189.05220	36.8
190.05629	0.7
195.06279	12.6
204.11482	1.0
213.09000	0.5
227.10394	0.6
230.08020	0.6
271.09531	0.3
286.11722	0.3
287.12518	13.7
288.12839	0.5
367.86526	0.3
393.17416	0.4
437.15887	0.8
438.97778	0.3
452.17862	0.6
462.01776	0.3
483.19846	0.5
497.17789	4.1
497.24573	0.4
511.19489	0.7
512.20337	3.7
513.21094	0.7
525.21075	0.4
649.25531	0.5
709.28223	100.0
710.28674	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79692	0.7
63.43863	0.7
67.05490	0.9
69.03426	1.1
69.41884	2.9
70.06591	22.2
74.06089	1.0
79.05460	1.0
80.04990	0.9
81.03448	1.0
81.38080	0.8
91.05488	2.1
93.07039	2.3
94.06557	2.9
95.07343	1.3
96.08121	3.4
98.22723	1.4
103.05478	1.6
104.77706	0.7
108.04481	2.1
108.08102	4.1
109.02886	1.0
110.09674	6.2
116.04970	0.7
116.07101	0.7
119.08552	1.1
120.04456	2.3
120.08088	7.2
122.06034	1.6
124.07594	0.9
125.07188	0.8
125.40852	0.7
128.61983	0.8
133.06113	1.0
136.07579	6.1
137.05992	2.2
138.09125	9.5
146.06010	2.2
148.07608	1.4
152.07072	1.1
162.05421	1.0
162.09274	0.7
164.07031	0.9
164.93791	0.6
165.23607	0.7
166.08620	9.4
172.03931	1.7
176.07074	0.8
190.05003	1.6
192.06502	0.9
194.08192	1.3
197.10811	0.8
201.16461	0.9
204.06598	3.0
210.09174	0.9
211.08722	1.2
212.09485	1.0
213.08730	1.0
213.10460	1.0
225.10272	3.0
227.11780	1.2
230.08286	0.6
230.09041	0.9
230.11348	8.8
235.08812	0.9
236.09404	1.1
237.10222	4.7
238.11037	1.3
239.11818	3.4
240.12553	1.0
241.09770	1.4
248.09201	1.1
249.10254	3.1
250.11125	1.9
251.08226	3.1
251.11784	3.8
252.12444	1.3
253.09676	5.7
255.11270	1.3
259.10922	0.7
261.10263	2.0
262.10950	0.9
263.11798	3.1
265.09662	8.2
266.10568	1.5
267.11282	7.6
268.12085	1.0
271.10657	1.5
277.09695	2.0
278.10416	4.1
279.07761	3.5
279.11307	9.2
280.11920	2.1
281.09290	2.9
281.12851	2.3
282.10010	1.1
283.10764	6.0
284.11560	0.8
285.12299	2.6
287.13864	1.4
289.09692	5.1
291.11331	2.7
293.09232	1.8
293.12891	4.5
294.06857	0.9
294.09924	5.1
295.10727	5.4
296.11606	1.6
297.09201	0.7
297.12332	2.9
299.10205	2.0
303.13342	1.6
306.09900	1.3
307.10852	1.7
309.12317	2.3
310.13013	0.9
311.10291	5.9
311.13928	2.7
312.11111	1.9
313.11768	2.6
314.12555	1.6
317.09283	0.9
321.12329	0.9
323.10434	1.5
323.14005	1.9
324.11154	2.5
325.11838	3.1
326.12509	4.9
327.13364	15.6
335.10199	8.3
336.10635	0.9
337.11652	1.7
339.13364	45.3
340.10394	1.9
340.13940	2.9
343.12952	0.9
352.10455	0.9
354.12057	5.4
355.12851	16.8
355.17007	1.3
356.13556	1.6
357.14502	1.2
367.12857	33.5
368.13303	2.1
371.12177	0.9
374.15173	1.2
384.17120	0.7
386.14767	1.2
387.15485	24.9
388.15915	2.0
399.15262	0.9
414.14496	1.2
415.15479	1.4
432.15033	0.7
456.15317	0.9
460.19098	1.1
479.20358	2.6
480.01083	0.8
488.18259	6.3
492.21375	4.2
493.21417	0.8
520.20764	100.0
521.21161	9.7
538.21692	2.4
552.23370	62.9
553.23785	6.3
627.24268	7.9
659.26855	1.6
709.32135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01859	1.4
55.05515	0.8
57.03426	1.3
61.02937	1.5
61.03202	0.3
67.05482	1.0
69.03133	0.3
69.03431	4.4
70.06600	0.4
71.04990	4.6
73.02904	1.2
76.17090	0.3
76.48001	0.3
79.05475	0.7
81.03413	1.8
81.07049	1.8
83.04973	2.0
85.02905	17.3
87.04481	0.7
88.73232	0.3
91.03973	0.7
91.05460	1.7
91.83441	0.3
92.28339	0.3
93.07058	1.8
95.01334	1.8
95.04955	0.7
95.08601	1.6
95.90152	0.4
97.02890	4.1
97.06543	0.5
99.04429	1.0
103.05473	3.6
105.07021	3.2
107.08613	1.8
109.02897	1.7
109.10138	1.3
111.04442	0.8
113.05938	0.4
115.04641	0.6
115.05447	10.6
117.07016	17.4
118.57860	0.4
119.04887	0.7
119.08576	1.4
121.06491	0.4
121.10102	0.8
125.02344	5.0
127.03932	2.6
128.06224	3.4
129.05606	2.1
129.07001	24.6
130.07358	0.6
131.04926	9.5
132.05257	0.5
133.04942	0.5
133.06450	1.6
133.10095	1.1
135.04404	6.5
135.11661	0.7
137.05922	0.7
142.07747	0.3
143.04915	10.5
143.06049	0.6
145.04962	2.3
145.06468	12.0
145.10097	0.3
146.06902	0.4
147.04439	0.8
147.06491	1.4
147.11664	1.0
149.05908	0.3
151.07573	0.3
152.07056	0.6
153.05437	0.7
155.04857	1.2
155.06055	1.0
157.06479	10.0
159.04417	15.0
159.11690	0.6
161.04700	0.6
161.05978	10.2
162.06436	0.4
163.06015	1.1
171.04384	10.4
173.05977	17.2
174.06479	0.6
175.03911	0.7
175.07547	1.5
177.05447	0.5
185.05968	9.2
187.03902	6.7
188.04512	0.7
189.05490	3.7
191.06952	0.7
199.02139	0.7
199.03882	9.4
200.04463	0.7
201.05466	21.1
202.05736	0.7
203.03391	2.6
203.17914	2.0
205.04999	0.6
205.12178	0.6
212.09233	0.6
215.10733	0.3
217.03329	0.3
217.04945	10.3
219.06525	1.0
229.04953	15.7
230.05104	0.7
231.06520	34.2
232.06805	1.3
239.09103	1.0
243.34196	0.4
247.06004	100.0
248.06343	4.2
257.10217	0.5
267.15964	0.4
293.12326	1.1
364.76056	0.3
369.09628	2.0
379.85358	0.4
409.11319	4.0
434.14008	0.4
459.27383	0.5
496.50250	0.3
709.97528	0.4
710.36578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
55.62352	0.5
56.05029	2.6
57.03429	0.8
57.07050	1.1
57.82849	0.6
59.80926	0.5
60.04523	80.9
61.79467	0.6
65.16703	0.7
67.05499	7.7
68.05025	0.7
69.07061	4.9
70.06597	1.0
71.08640	0.8
71.46205	0.7
72.04499	1.4
74.06059	1.4
79.04681	0.6
81.07045	7.1
81.07787	0.6
82.06549	1.2
83.08627	3.9
90.05554	1.1
91.05460	2.6
93.07027	3.0
95.04910	0.6
95.08595	6.8
97.06511	0.6
97.10183	1.5
100.07569	0.9
107.08617	1.9
109.10140	2.7
111.11724	0.6
119.08575	1.5
121.10125	1.3
133.10135	1.0
135.11693	1.0
250.25264	1.1
262.25235	0.9
268.26404	0.7
280.26340	7.2
298.27429	8.9
316.28436	100.0
317.28900	4.5
425.16989	0.8
564.37952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05511	7.6
57.03432	4.0
57.07071	1.5
61.02926	13.1
62.23668	1.1
65.03906	1.4
67.05503	17.6
69.03422	1.4
69.07067	6.6
71.04999	1.6
71.45732	1.1
73.02922	4.5
79.05490	26.2
81.03415	3.0
81.07050	16.5
83.05017	1.4
83.08626	3.6
85.02898	16.2
85.06553	2.3
91.03955	13.0
91.05476	25.7
93.07041	32.0
95.04972	4.0
95.08601	15.2
97.02883	7.1
97.06529	2.0
97.10167	1.9
103.03114	1.1
105.04521	1.5
105.07032	30.7
106.07343	1.5
107.08579	19.0
109.06490	1.8
109.10156	7.3
111.08045	1.2
113.50993	1.0
117.07000	9.6
119.08582	25.5
121.10131	14.6
123.11694	2.2
123.32262	1.1
125.09597	1.4
127.03918	4.2
129.07024	4.9
131.08571	12.1
133.09192	0.9
133.10114	23.5
135.08058	1.2
135.11705	16.0
137.09660	1.2
143.08546	5.7
145.04953	6.6
145.10117	12.0
147.11676	22.7
147.22678	0.9
149.09636	1.7
149.13263	7.3
155.08505	1.2
157.10129	5.9
159.11673	11.1
161.13283	14.7
163.06010	10.2
163.11145	1.9
163.14813	3.1
164.21271	1.1
171.11620	6.5
173.13240	7.8
175.14874	6.5
177.12775	1.1
185.13251	6.8
187.14764	1.7
199.14859	3.9
213.16479	1.5
231.21126	2.8
233.75778	1.1
241.19485	14.8
248.06854	1.1
259.20572	40.3
260.20779	1.1
261.22247	1.3
277.21661	1.8
321.92520	1.0
333.24350	2.5
351.25293	100.0
352.25607	3.2
362.65677	1.0
363.25342	2.4
367.22684	1.4
375.25363	1.3
393.26584	1.3
441.26279	3.8
459.27579	3.1
477.28323	4.5
495.29614	5.0
638.84979	1.1
711.34229	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01881	4.3
55.05508	13.0
57.03425	5.1
57.07074	1.1
59.05011	1.5
61.02918	9.7
65.03935	1.7
67.05501	32.3
69.03418	3.0
69.07066	10.6
69.17301	2.9
69.17725	2.9
69.76069	0.8
70.22662	0.8
71.04987	2.4
71.08624	4.6
73.02911	2.9
79.05489	21.0
81.03410	2.6
81.07053	27.5
83.04978	3.9
83.08614	9.1
85.02904	10.9
85.06532	1.5
87.34594	0.8
91.03959	8.0
91.05475	18.0
93.07037	25.4
95.04943	4.6
95.08601	21.6
95.09204	1.3
97.02893	5.8
97.06538	7.8
97.10167	3.9
99.04471	1.1
99.08064	4.2
102.62013	0.9
102.90535	0.9
105.07021	16.9
106.06548	3.1
106.07241	0.9
107.04962	1.5
107.08585	17.0
109.02860	1.0
109.06518	2.5
109.10149	17.0
111.08092	2.4
117.07001	5.3
119.08572	14.4
121.06448	1.3
121.10133	13.0
122.21857	0.8
123.08081	1.5
123.11711	3.1
125.09607	6.2
127.03899	2.6
129.07005	3.7
131.08578	4.6
133.10130	12.2
135.08075	1.2
135.11705	12.6
137.09592	1.5
139.11162	1.4
143.08542	3.4
144.08078	1.1
145.04958	2.9
145.10109	5.8
147.11676	12.3
149.09599	1.9
149.13252	5.8
151.11157	3.2
155.10716	1.2
157.10097	2.3
159.11662	4.9
159.79567	1.0
161.13261	8.3
163.06023	3.6
163.11215	2.5
163.14655	1.1
165.12698	1.9
171.11638	4.1
173.11751	3.5
173.13280	3.6
175.14812	2.6
177.12785	1.7
179.14305	10.9
185.13240	1.5
187.14627	0.9
189.05150	5.3
189.11128	1.4
189.12727	1.5
190.05656	2.1
193.12309	1.0
199.14851	2.8
203.14351	1.1
227.12688	2.7
229.14383	9.8
231.20973	2.0
241.19466	5.3
257.13828	1.4
259.20581	17.9
260.16611	1.2
269.17532	1.1
277.21616	21.3
278.21927	0.9
287.12564	1.1
288.12717	1.0
288.19553	1.1
301.16547	1.1
307.35776	0.9
331.18582	1.0
351.25269	100.0
352.25586	3.6
369.26361	10.5
380.25836	1.2
398.26910	6.1
423.27502	0.9
495.29395	2.9
513.30420	3.9
529.51471	1.0
535.23254	0.9
538.14160	1.0
710.28467	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.3
91.05433	0.2
130.08308	0.2
146.90628	0.2
148.03745	0.2
249.03122	0.2
274.39929	0.2
297.82642	0.3
317.20880	0.4
333.20520	1.2
334.20709	1.3
335.21902	100.0
336.22241	3.1
401.06305	7.4
402.06393	0.3
629.00848	0.2
641.28979	0.4
713.30371	0.7
723.14624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.336
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07104	0.4
93.07057	0.7
93.27760	0.3
94.94463	0.3
98.23080	2.3
101.11482	0.3
150.95038	0.3
179.12148	0.3
185.04120	0.4
259.07846	0.8
321.29474	0.3
331.10251	0.4
331.18881	1.9
332.19119	2.5
333.19589	1.7
347.09650	1.1
389.23053	3.9
404.08441	0.4
405.08734	0.4
421.13205	0.4
489.83502	0.3
551.28302	25.0
552.28735	1.6
583.31274	0.4
694.19739	0.4
713.33533	100.0
714.33899	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08127	0.3
67.05491	0.5
75.90298	0.3
79.05519	0.4
81.07069	0.4
83.40582	0.3
94.13998	0.3
97.06531	0.5
106.94280	0.3
116.74744	0.3
117.07001	0.3
148.79323	0.3
185.04303	0.8
227.41049	0.3
247.63249	0.3
259.07990	1.4
331.05740	0.3
347.09555	1.3
389.22971	5.3
421.13242	0.6
447.97192	0.3
483.21857	0.4
493.15305	0.5
551.28302	30.1
552.28754	2.3
552.85797	0.4
553.80505	0.3
713.33545	100.0
714.33838	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.1
55.03009	0.1
55.05509	0.3
55.79378	0.1
55.92333	0.1
60.05632	0.5
65.46317	0.1
69.33268	0.1
70.03429	0.1
70.06580	0.2
72.08148	3.9
73.04032	0.5
77.03929	0.3
77.77029	0.1
86.09694	0.1
86.44654	0.1
89.10767	0.1
91.05470	0.1
95.04969	0.3
97.07651	1.2
98.06050	1.0
101.54228	0.1
103.05458	5.9
105.04492	0.1
105.07060	0.1
114.10281	18.0
115.08682	7.5
115.10564	0.2
130.06523	0.1
131.04915	60.1
131.12888	0.2
132.05247	0.8
135.98039	0.1
136.07556	0.2
139.28023	0.1
148.07545	0.4
154.19603	0.1
160.07549	0.1
177.05344	0.1
201.13852	11.9
202.12251	17.9
203.12498	0.5
219.14905	1.5
244.14433	13.9
245.14732	0.3
261.17075	100.0
262.17398	2.5
287.05576	0.2
475.39722	0.1
574.27917	0.1
616.41022	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01872	2.5
55.05513	0.6
55.25595	0.4
57.03439	1.7
60.04539	0.4
61.02925	1.6
66.04709	0.4
67.05499	0.7
68.99801	1.2
69.03431	8.8
69.07096	0.5
70.06622	0.5
71.05009	1.3
73.02923	1.9
77.03934	0.7
78.04719	1.4
79.05487	3.4
80.05029	0.5
80.06241	0.5
81.03414	9.0
81.07069	1.2
83.21320	0.4
84.40221	0.4
85.02908	16.9
87.00830	6.2
89.03943	0.5
91.03944	0.7
91.05479	3.2
93.07062	1.0
95.04959	3.4
95.08604	1.3
97.02893	7.8
97.06584	0.5
99.04456	3.5
103.05470	8.1
105.01881	3.5
105.07060	2.6
106.04160	1.2
107.04962	10.0
107.08607	0.7
108.04498	2.0
108.05759	2.4
109.02882	7.7
109.06514	1.0
109.10141	0.4
111.04452	1.4
115.03928	0.7
115.05460	1.6
117.01862	1.1
117.03380	1.1
117.07041	1.8
119.04967	0.5
119.08588	0.8
121.06506	3.1
122.03643	0.8
123.04443	2.9
123.08083	1.0
124.05240	1.9
125.06010	0.5
126.05503	0.9
127.03918	9.3
129.01840	0.7
129.07005	1.0
131.04924	10.5
131.08524	0.7
133.06493	1.7
135.04446	2.5
135.08009	2.6
135.80551	0.4
136.05214	3.4
137.05984	6.6
139.07564	0.5
141.07050	0.8
143.04941	0.8
143.08621	0.8
145.02849	4.1
145.04973	3.2
145.06494	2.7
145.07455	0.4
145.10121	0.7
146.07251	4.0
147.04417	0.7
147.08054	2.4
149.05949	2.3
149.09608	0.9
150.06802	2.3
151.07544	100.0
152.04688	0.7
152.07895	1.5
153.05518	1.0
157.06464	0.9
158.07307	1.3
159.02888	2.8
159.08073	1.6
159.11517	0.6
160.05203	0.5
161.05978	2.6
162.06783	1.3
163.07547	24.4
165.09114	10.0
167.07040	69.8
168.07408	1.4
169.06451	0.5
171.08116	1.0
172.08789	0.8
173.05951	1.1
173.09660	1.5
174.06752	1.3
175.07553	3.0
176.08185	0.8
177.05518	9.1
177.09108	29.3
178.09395	0.5
179.07028	1.3
179.10727	1.5
181.08524	2.5
186.06831	0.5
186.10417	1.0
187.07579	2.0
188.08305	1.8
189.09079	5.5
191.10652	3.6
193.06644	0.4
193.08598	3.3
195.10118	1.1
199.07561	0.6
201.09102	4.8
202.09842	1.3
203.07089	0.6
203.10664	3.7
204.07840	0.5
205.08701	0.7
207.10225	0.8
213.03920	0.6
215.10629	0.9
217.08591	0.8
217.12265	4.6
219.10194	1.8
221.11702	2.0
225.09070	0.5
230.06665	0.8
231.05011	1.7
231.10123	0.7
233.11780	3.4
235.13280	0.9
237.11194	0.6
243.10278	0.7
248.07617	1.4
249.11383	0.5
251.10561	0.6
251.12866	0.5
259.09830	0.7
266.08826	0.9
307.13205	2.7
308.13959	0.8
325.14258	0.7
339.15897	17.3
340.16162	1.4
356.16068	1.4
371.18533	41.1
372.18848	1.6
379.15167	0.5
387.19617	0.5
389.19574	52.1
390.19897	2.6
395.18546	0.6
413.19568	1.7
427.21130	0.8
445.22321	0.6
473.01215	0.5
479.20523	1.6
497.21454	0.8
539.22632	1.1
557.23932	0.8
662.36121	0.6
714.32880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98163	0.2
51.30179	0.2
69.44124	0.9
95.01073	0.2
96.01870	0.3
98.22730	0.4
133.50076	0.3
169.04735	0.5
185.04199	2.4
201.03677	1.6
203.05330	0.5
222.24654	0.2
259.07971	1.0
263.15933	0.2
275.07349	1.1
287.07343	0.3
288.26660	0.3
301.08994	0.9
317.08566	0.5
319.10123	0.6
331.09970	3.1
331.36145	0.2
345.11588	0.6
347.05457	0.2
347.09454	4.7
359.13129	0.5
363.08939	3.6
373.14719	0.6
389.16241	0.3
390.48114	0.2
391.24509	0.7
401.17950	0.5
415.19592	0.7
421.12982	0.6
437.12494	1.4
455.22809	0.7
463.14352	0.7
472.33508	0.3
483.21802	1.9
493.15173	5.2
507.16812	1.1
521.18439	1.1
535.20081	1.1
535.28198	0.4
549.21649	0.5
553.29810	14.9
554.30493	0.9
559.58887	0.3
563.23376	1.1
577.24628	1.9
603.25885	0.6
617.28772	1.1
645.27618	1.5
715.35071	100.0
716.35291	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17449	0.2
69.77725	0.9
79.05551	0.3
81.07088	0.3
87.94279	0.3
99.35172	0.2
137.06100	0.3
160.06508	0.3
163.38766	0.2
172.04475	0.3
173.17422	0.2
185.04309	0.8
203.05426	0.3
203.10043	0.2
213.80406	0.2
218.68500	0.2
259.07990	0.5
305.17331	0.4
347.09662	1.1
391.24438	1.5
421.13086	0.3
495.25409	0.5
535.28888	0.3
553.29791	22.0
554.30286	1.4
618.34381	0.3
657.31006	0.3
715.35052	100.0
716.35278	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
50.58696	0.4
55.35902	0.4
57.89796	0.4
59.27032	0.4
61.64582	0.4
62.54950	0.4
67.05520	0.5
67.82785	0.5
71.46992	0.5
77.88197	0.5
78.44126	0.4
79.05571	0.4
81.07091	0.5
123.47608	0.4
167.07077	1.0
173.54414	0.5
185.04277	0.9
189.09129	0.6
210.27953	0.5
215.10669	0.9
259.07965	0.8
261.46323	0.4
275.12891	1.4
347.09537	1.4
369.17151	0.7
391.24496	2.4
393.27518	0.5
431.18835	3.9
553.29834	26.8
554.30334	1.8
698.54645	0.5
715.35089	100.0
716.35388	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
55.01861	0.2
55.05509	0.2
57.03431	0.4
61.02934	1.3
67.05521	0.2
69.03432	1.5
69.12720	0.9
71.72507	0.2
73.02914	0.2
81.03436	0.7
83.04989	0.2
85.02921	1.3
86.36609	0.2
87.04482	0.3
91.05486	0.2
95.04955	0.2
97.02897	100.0
98.03214	0.9
98.23487	0.3
99.04461	0.3
109.02901	0.1
115.03910	0.2
123.04503	0.2
123.83994	0.2
125.02343	0.1
127.03884	0.2
135.04399	0.2
139.03911	0.2
145.04938	0.1
151.07518	0.1
153.05441	0.7
157.04973	0.4
165.05511	0.2
175.06018	3.0
175.75024	0.1
205.06558	0.5
206.07277	0.6
218.07152	0.3
219.08090	0.3
221.06047	0.2
229.04639	0.1
231.06699	0.2
233.05991	0.9
234.06778	2.1
235.07541	0.6
236.08301	0.2
246.06689	0.3
247.07591	0.5
248.08455	0.6
249.05302	0.2
249.09178	0.9
251.10683	0.4
261.05515	0.3
262.06299	1.2
263.07034	1.1
264.07849	0.4
265.08731	0.2
267.10272	0.2
274.06223	0.3
274.42126	0.1
275.07092	0.3
276.07785	0.6
277.05402	0.3
277.08597	5.4
278.06284	0.1
278.09375	0.6
279.07004	0.2
279.10141	1.3
289.04919	0.2
290.05783	0.5
291.06525	1.7
292.07327	0.5
293.07996	0.3
294.08920	0.4
295.09760	0.3
304.07251	0.3
305.08084	6.7
306.08673	0.4
307.09564	1.3
309.11130	1.2
318.05215	0.2
319.06030	1.9
319.10229	0.8
320.06534	0.3
323.09131	1.1
325.10675	0.2
333.07602	7.7
334.08060	0.4
335.09137	1.8
337.10699	3.4
351.08609	4.5
352.09012	0.3
363.08615	5.9
364.09036	0.3
374.10361	0.2
381.09686	54.9
382.10046	2.3
555.15192	0.4
717.35938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80048	0.4
58.06596	0.5
68.58842	0.4
70.02937	0.6
130.05008	1.4
158.08054	0.5
195.83580	0.4
293.05576	0.6
321.05145	0.6
386.13919	0.8
400.15497	1.4
414.16730	0.8
429.19357	1.3
434.44388	0.5
488.20599	1.7
516.24237	1.3
517.24573	1.3
544.22839	1.1
545.23895	2.9
586.20209	0.8
646.28119	0.7
658.24982	0.5
674.28284	6.1
717.34491	100.0
718.34924	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
67.05484	0.6
69.03416	0.3
70.06581	0.7
71.46047	0.3
79.05481	0.5
81.03416	0.3
81.07043	0.5
83.08600	0.3
85.02895	1.0
91.05482	2.0
93.07043	0.4
94.04163	0.6
95.04976	0.6
97.02893	0.4
103.05465	0.9
103.55219	0.3
105.07028	0.7
107.04947	0.7
107.08578	0.4
109.06498	0.6
114.76131	0.2
115.05434	1.4
117.06982	0.5
119.04920	0.5
119.08578	0.4
121.06490	0.9
122.03679	1.7
122.04392	0.3
123.08009	0.6
126.14318	0.3
128.06206	1.1
129.06999	6.0
131.04895	1.5
131.08565	6.7
133.06497	0.4
136.05176	0.5
136.26720	0.3
137.05972	28.0
138.06305	1.0
141.06998	4.9
143.04897	0.8
143.08568	0.5
144.05681	1.0
145.02869	0.3
145.06456	1.3
146.07214	0.7
147.04402	0.5
147.08034	0.7
148.12407	0.3
149.05966	0.8
149.09669	0.4
151.03896	0.5
151.06348	0.5
151.07542	7.5
151.14232	0.3
152.07806	0.3
157.06500	6.1
157.10103	0.3
158.07274	2.6
159.08044	5.1
160.05200	0.8
161.05984	4.0
161.09628	1.1
162.73213	0.3
163.07596	1.9
165.06947	0.3
165.09123	1.1
167.07091	0.5
169.06450	2.8
170.07236	1.4
171.07954	0.5
173.05957	0.6
174.06761	14.4
175.07538	4.5
177.05441	0.6
177.09076	1.2
178.24480	0.3
179.07066	0.6
186.06761	2.3
187.07483	1.4
188.08311	0.7
189.09099	24.8
190.09413	0.6
191.07063	0.4
191.10669	2.1
193.06575	0.4
194.07199	0.4
195.08199	0.4
195.10172	3.8
198.18553	0.7
201.09108	8.5
204.06412	0.4
205.06660	0.6
205.08470	0.5
207.08269	0.6
207.10205	1.3
213.09143	0.3
214.09167	0.3
216.19562	2.1
219.10153	100.0
220.10555	2.5
221.05949	0.6
221.09622	0.4
223.07620	0.3
225.09074	0.4
233.05971	0.3
234.06798	0.6
235.07524	0.4
237.09070	1.2
237.11232	1.5
241.08568	0.3
242.17796	0.3
249.09105	0.7
251.07187	0.3
251.10603	0.3
253.08559	0.9
265.08554	3.3
267.10123	0.8
269.08173	0.3
273.11194	1.0
277.08582	1.5
277.11777	0.3
278.09042	0.5
279.10214	0.6
281.08173	0.4
283.09613	1.1
285.11179	2.1
293.11551	0.5
294.08749	0.3
295.09451	0.5
296.10553	0.3
297.11252	4.0
298.11554	0.4
299.12793	0.5
309.11227	1.8
310.12073	0.4
311.12781	2.4
311.16052	0.4
317.14005	0.5
323.12628	0.5
327.12146	0.9
334.21063	0.3
337.14505	0.4
341.13895	0.7
343.09219	0.3
343.15500	2.3
349.14063	0.3
355.15262	0.6
367.15308	1.2
397.16275	0.5
459.18243	0.4
461.19632	2.7
473.18958	0.6
479.20605	8.2
480.21017	0.7
491.20657	4.1
492.21298	0.4
509.21475	1.2
573.03015	0.3
596.62836	0.3
717.46075	0.5
718.46942	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05499	0.5
55.15255	0.3
57.03424	0.4
65.03929	0.4
67.05457	0.4
68.26390	0.3
69.03401	1.2
69.07037	1.1
70.06245	0.3
70.06592	6.0
72.08145	2.2
74.17554	0.3
79.05457	1.0
81.03403	1.2
81.07045	0.6
84.19719	0.3
85.02895	2.0
86.09704	15.8
87.10026	1.8
91.05475	3.9
91.75101	0.3
93.07056	0.4
94.04176	2.6
95.04958	0.8
95.08591	0.4
97.02869	1.0
102.89975	0.4
103.05429	0.9
103.21014	0.4
104.75446	0.3
105.07029	1.0
106.04151	0.4
107.04940	1.1
109.02832	0.5
109.06493	1.4
115.05467	0.7
118.08671	0.3
119.04921	2.2
119.08550	0.5
121.06496	0.6
122.03645	6.2
123.04395	0.3
127.03887	0.5
128.06200	0.5
129.07010	1.2
131.04918	1.8
131.08537	0.9
133.02852	0.7
133.06516	0.6
135.04428	0.7
135.11647	0.3
137.05969	100.0
138.06308	1.5
140.07043	0.6
140.14316	0.7
141.07068	0.5
141.60472	0.3
143.08578	0.6
144.05710	0.5
145.04962	0.5
145.06538	0.4
147.04427	1.3
149.05962	1.8
151.03894	1.1
151.07544	6.5
153.05455	0.4
153.06961	0.5
155.08568	1.4
157.06502	1.1
158.07259	0.6
159.08028	1.1
161.05939	1.7
163.07526	2.6
165.05467	0.8
165.07010	0.8
165.09081	0.4
167.07103	1.6
167.08409	0.6
169.06453	0.4
171.08061	1.0
173.06209	0.4
174.06807	0.9
175.07501	2.3
176.49957	0.3
177.05420	2.2
178.50861	0.4
179.07054	1.5
181.05038	0.4
181.06496	1.3
181.08763	0.4
183.08118	1.3
183.14951	1.1
185.09352	0.6
186.06787	0.7
187.07487	2.3
188.08157	0.4
189.09100	2.6
191.07037	0.4
195.08025	0.9
198.06787	0.6
199.07520	1.3
200.08200	0.7
201.09100	2.0
202.07896	0.5
203.08838	0.4
203.10635	0.8
205.06412	0.5
205.08524	0.8
207.06577	1.1
207.10202	0.4
210.06863	0.4
211.07570	0.8
211.14400	2.1
212.04814	0.4
212.08218	0.5
212.14793	0.7
213.05650	0.5
213.09039	4.5
213.10750	0.3
214.17711	0.4
215.10725	1.2
217.08478	0.7
217.10297	0.9
218.07266	0.4
219.08136	0.7
219.10133	6.0
219.12097	0.5
225.09204	1.1
229.10272	0.6
231.08022	0.9
231.10210	2.7
233.11844	0.6
234.06822	0.4
235.07549	0.5
237.09346	0.5
243.08145	0.4
243.10184	1.9
245.09604	2.1
246.10448	0.7
247.07635	0.6
248.08366	0.5
249.09145	0.4
255.10129	0.6
257.09564	1.7
258.10300	0.5
259.07184	0.6
259.09631	5.5
261.08942	0.6
261.11282	5.3
263.07074	0.6
263.10645	0.7
264.08032	0.4
269.09943	0.9
271.07578	0.9
273.09189	1.3
274.10013	1.2
275.10684	0.9
276.07901	0.6
277.08578	1.4
277.12622	2.2
278.09341	0.5
279.13644	0.6
283.09625	1.7
285.09204	1.6
285.11893	0.4
287.07416	0.6
287.10617	0.8
288.08017	0.7
289.08865	0.6
289.12308	1.5
290.09619	0.7
291.10159	1.9
292.07565	0.4
292.10944	0.5
293.08298	0.3
293.11734	0.7
295.09793	0.9
295.16483	0.8
296.17023	0.6
297.11325	1.1
301.08896	0.8
301.12247	0.5
302.09448	1.7
303.10074	1.7
304.11090	0.7
305.08539	0.7
305.11542	2.2
306.08972	0.4
307.09763	1.0
307.13193	0.6
308.10507	0.9
309.11331	1.2
310.12186	0.4
312.09784	0.3
314.09396	0.8
315.10025	0.6
316.11038	0.6
317.08319	0.6
317.11832	3.3
318.12421	0.4
319.09714	0.9
320.10568	0.5
321.11185	2.9
321.14459	0.5
322.11847	1.1
323.12921	1.3
329.11819	1.3
330.12448	0.5
331.09814	0.7
333.11218	1.9
334.12100	1.0
335.12720	2.7
336.13593	0.8
337.14590	1.3
341.13861	0.6
346.12189	0.5
347.13016	1.5
348.13535	0.5
349.14355	2.8
351.12521	0.5
353.13867	3.4
355.15396	2.4
361.14362	1.8
364.12903	0.5
365.13992	1.0
366.14667	0.3
367.15381	34.7
368.15933	1.3
369.17117	1.2
371.15060	0.5
379.15350	10.5
380.15918	0.8
385.16492	2.9
392.21506	0.4
393.22211	0.6
397.16440	21.6
398.16895	1.1
423.22388	3.2
424.22726	4.1
471.17764	0.5
473.19498	1.6
485.19815	1.5
491.20602	5.2
503.20657	4.8
509.21887	0.6
509.31866	0.9
521.21729	6.7
536.31647	0.6
537.31409	1.4
559.21814	2.0
717.46649	8.6
718.47552	13.1
719.47534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58764	2.0
55.01883	4.1
55.05509	13.5
55.41210	1.8
57.03432	9.1
57.07070	2.2
59.04998	3.2
61.02914	3.1
65.03939	2.5
67.05503	100.0
69.03432	5.4
69.07065	17.4
71.04982	4.3
71.35793	1.9
79.05495	19.7
81.03423	4.7
81.07052	31.7
82.90528	2.4
83.05010	4.8
83.08627	10.3
85.02892	3.8
91.05474	20.4
93.07047	18.5
94.26347	1.9
95.04987	5.0
95.08591	13.2
97.02908	4.3
97.06532	6.5
97.10186	7.0
100.11295	1.9
105.07024	13.9
107.04963	2.8
107.08585	17.1
109.06532	3.3
109.10150	64.0
110.10500	2.6
111.08110	3.4
117.07022	7.0
119.08567	12.4
120.27909	2.2
121.06539	3.1
121.10151	7.6
122.95155	2.1
123.08093	2.2
125.09649	5.5
129.07022	2.8
129.62289	1.7
131.08586	8.7
133.10149	8.5
135.08076	2.1
135.11688	5.6
137.09590	6.1
143.08601	3.5
145.10095	3.5
147.11674	5.5
149.09637	4.4
149.13345	2.5
151.07909	2.2
151.11331	2.6
155.10698	4.7
159.11707	6.4
161.13155	2.0
163.11171	3.2
163.75027	2.0
170.09695	1.9
173.11745	19.8
173.13145	3.3
177.12807	2.3
189.11301	3.7
195.13739	2.6
220.07794	2.0
227.12782	16.9
229.14342	64.3
229.19348	3.1
230.14687	2.7
241.01382	1.9
255.15976	3.7
257.18970	4.4
269.14902	2.0
269.17438	9.5
275.20090	15.9
293.21176	2.3
324.28778	6.6
349.23697	20.8
371.05264	15.4
383.24710	2.5
399.23676	6.3
407.28000	2.9
409.25925	9.6
423.27356	43.7
424.27661	4.5
463.31015	2.6
503.33646	40.9
504.33667	3.4
521.34741	5.6
718.29694	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43686	0.4
57.61194	0.5
62.36389	0.4
79.05482	0.4
81.03407	0.4
91.05470	0.5
98.22720	1.1
121.06470	0.5
135.04388	0.5
137.06024	2.1
145.02882	0.9
149.05978	0.5
151.07529	3.2
153.05235	3.3
165.09024	0.4
167.07014	2.3
167.58705	0.4
177.05519	1.9
177.09016	0.6
189.05225	15.2
189.09068	0.7
219.10100	0.8
245.11609	1.5
250.22121	0.4
381.16812	0.6
395.14648	0.5
410.17105	1.3
411.17752	5.9
455.16992	1.6
470.19385	1.7
471.19879	20.6
472.20316	1.6
492.20963	0.6
497.27753	0.5
499.19461	0.5
633.25323	2.2
675.26215	22.7
676.26465	1.6
719.25159	100.0
720.25537	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32013	0.3
69.56212	1.5
79.43117	0.4
80.32845	0.4
81.20665	0.4
85.83244	0.4
91.05492	0.4
218.70674	0.4
227.12576	0.4
266.30859	0.4
321.04941	0.4
374.32639	0.4
476.46967	0.4
714.55573	0.5
719.36090	100.0
720.36383	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26850	0.6
56.08459	0.7
59.64381	0.6
66.34245	0.9
79.86289	0.7
80.94312	0.7
91.05500	0.6
93.07083	0.7
103.81728	0.7
108.90852	0.6
170.72247	0.7
184.07256	0.8
458.52014	0.7
700.27802	0.7
721.37598	100.0
722.37927	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91024	0.4
53.03938	0.5
55.01857	0.6
55.05500	1.4
57.03432	1.3
61.02925	3.2
63.33704	0.5
67.05505	6.4
69.03427	2.8
69.07077	1.9
71.04970	0.6
73.02900	2.8
79.05488	1.6
81.03421	1.8
81.07038	2.3
83.04994	0.5
83.08620	1.1
85.02902	3.8
91.03947	2.2
91.05482	1.3
93.07040	0.7
95.04947	0.7
95.08596	0.7
97.02880	2.9
97.10183	1.2
99.04447	0.6
101.02392	1.3
105.07037	0.6
107.08610	0.8
109.02843	0.8
109.10149	5.8
119.08564	0.8
122.90449	0.4
125.09648	0.7
127.03960	0.5
131.08627	0.4
145.05083	0.4
145.10110	0.5
173.11734	1.8
185.04231	0.6
195.09955	1.0
203.05334	0.6
223.13380	1.1
229.14403	0.6
243.08379	2.8
251.12610	0.6
291.19727	1.5
301.09012	0.5
316.97733	0.5
319.83188	0.5
331.18875	1.2
408.95175	0.4
413.17804	10.7
459.18851	0.7
549.26770	3.6
580.04956	0.4
585.15417	0.5
721.37610	100.0
722.37708	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.96568	4.9
57.03438	0.9
67.05504	1.5
79.05479	1.2
81.03439	1.2
81.07067	2.1
91.05505	1.5
93.07039	1.2
95.04961	0.9
105.07001	1.1
107.04933	1.0
107.08591	0.9
109.06511	1.1
131.08621	1.0
133.10159	0.8
139.00632	0.6
141.02200	0.7
145.10107	1.0
159.03262	0.6
161.09653	0.6
164.92125	0.6
171.03362	1.5
184.07451	0.6
185.04857	2.1
187.06593	0.7
195.06976	1.0
203.05959	0.6
211.06476	1.7
213.08037	2.4
221.08653	1.7
223.10056	0.8
225.07837	1.0
229.07440	3.3
231.07016	1.2
231.09096	2.8
237.08080	1.9
239.09573	7.5
241.11208	2.4
247.08542	1.5
248.87943	0.7
249.08127	2.5
255.09108	1.1
257.10596	6.0
259.12262	2.1
267.06125	1.1
267.09009	22.4
285.10086	59.2
286.10590	1.8
290.10648	1.6
291.19604	2.4
303.11151	55.6
304.11493	1.5
308.11761	4.9
321.12024	1.2
326.12811	3.5
335.05573	1.6
365.23349	4.8
393.18756	0.8
495.22659	100.0
496.22894	4.6
536.25061	1.6
601.54413	0.8
723.41962	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74952	0.5
55.05516	1.1
57.03440	1.0
61.02930	4.1
67.05505	6.0
68.36327	0.5
69.03434	2.1
69.07076	2.1
69.91792	0.5
70.53835	0.7
71.05003	0.8
73.02907	2.9
79.05485	1.7
81.03434	1.5
81.07063	3.7
83.08622	1.1
84.33546	0.6
85.02898	4.0
91.03960	2.6
91.05487	1.4
93.07066	1.6
95.08601	1.3
97.02888	3.5
101.02385	1.0
105.07045	1.2
107.08617	0.7
109.02923	0.8
109.10155	6.4
109.10803	0.7
110.84560	0.5
119.08619	1.5
127.03985	0.9
131.08569	0.7
133.10110	0.6
137.09682	0.8
173.11777	2.4
179.52789	0.5
185.04163	0.9
195.09921	0.9
229.14572	1.0
243.08395	2.6
251.12628	0.6
333.20322	1.4
413.17822	7.7
550.26672	0.6
551.28320	3.7
669.33521	0.7
723.39252	100.0
724.39764	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03130	0.3
53.03922	0.4
55.01876	3.2
55.05513	11.0
57.03439	2.6
59.04989	0.5
61.02934	4.3
63.84168	0.3
65.03914	0.9
67.05505	13.2
69.03432	5.2
69.07068	13.8
71.04956	1.1
72.02209	0.3
73.02915	1.8
79.05488	12.5
81.03416	6.0
81.07056	11.2
83.04979	1.9
83.08624	6.9
83.88236	0.3
85.02900	6.4
85.06512	1.0
86.53654	0.3
90.85082	0.3
91.03952	3.7
91.04953	0.6
91.05475	7.9
93.07043	9.1
94.04221	0.4
95.04964	4.7
95.08609	6.1
97.02893	9.1
97.06546	1.6
97.10172	9.0
99.04458	0.9
105.01814	0.4
105.04469	0.6
105.07034	6.8
107.04380	0.4
107.04964	4.1
107.07932	0.5
107.08593	7.6
108.05750	0.5
109.02858	0.7
109.06535	1.9
109.10152	5.7
110.50214	0.3
111.04394	1.0
111.08057	1.2
115.05473	0.5
117.07018	3.6
119.04910	1.0
119.07755	0.5
119.08572	7.6
121.06518	1.8
121.10143	3.9
123.04409	0.4
123.08047	1.7
123.11659	0.7
125.08826	0.5
125.09634	6.8
127.03928	1.9
128.06184	0.7
129.07024	1.8
130.07736	0.3
131.08574	4.5
133.06493	1.8
133.10146	3.0
134.07172	0.5
135.08069	3.2
135.11673	1.6
137.09621	1.6
137.88455	0.4
143.08612	2.0
145.04930	1.6
145.06436	0.6
145.10109	4.4
147.08057	4.0
147.11702	2.2
149.09624	1.7
149.13223	1.3
151.11186	0.5
153.09076	0.8
155.08562	0.6
157.10161	1.9
159.08052	1.0
159.11658	0.9
161.09590	2.1
161.13274	0.5
162.10399	0.7
163.06042	1.9
163.07143	0.3
163.11122	1.1
165.09068	1.2
169.10110	0.6
169.12259	0.6
171.11661	0.8
173.09584	0.9
173.11745	0.4
175.09775	0.4
175.11168	1.8
185.13240	0.5
187.11169	0.7
187.90645	0.4
189.11191	3.4
193.12247	3.4
195.13815	0.5
199.11221	0.4
205.12230	1.8
211.13264	1.3
215.10872	0.4
223.13274	13.5
227.12755	4.6
227.17815	0.4
229.14287	0.6
235.13319	0.6
245.13824	1.3
245.19008	0.8
249.14819	2.3
255.17491	0.5
263.16425	0.4
263.20041	0.4
267.15839	1.8
273.18509	8.0
279.23215	0.5
285.16974	10.7
291.19531	74.1
292.19943	2.0
297.17053	0.4
347.22174	2.4
365.23221	100.0
366.23541	3.9
383.24252	0.6
420.43988	0.4
435.23874	0.5
473.74066	0.4
509.27701	0.6
527.28290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2567
Annotation	(+)-Jasplakinolide V
Peak:m/z	Relative Intensity
61.40260	1.2
62.91343	1.1
69.16599	1.1
69.76644	1.2
70.09948	1.2
70.12237	2.5
71.82849	1.0
79.05495	1.1
91.05484	1.3
95.04979	1.4
107.08559	1.3
192.08826	1.0
219.49773	1.2
465.21445	1.4
501.22543	1.5
617.66144	1.2
725.25708	100.0
725.37445	21.9
726.25885	9.0
726.37054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.402
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19293	0.4
69.95246	0.5
70.24817	0.6
70.25149	0.5
74.79764	0.5
74.80154	0.5
89.30698	0.4
136.42737	0.5
160.34950	0.4
185.99397	0.4
203.42166	0.4
204.70143	0.5
257.44394	0.4
278.05490	5.0
279.06390	2.3
291.06244	25.2
292.06595	0.8
303.06250	63.6
304.06671	2.4
321.07562	0.4
328.10666	1.0
329.11423	0.6
331.09476	0.9
331.20648	0.4
333.20554	0.7
344.08939	0.8
345.10944	1.0
346.11731	26.2
347.12469	18.3
348.12921	0.8
351.18433	0.7
387.14594	0.5
415.18765	100.0
416.19095	5.2
419.95248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58815	1.7
52.94544	1.5
53.03932	3.0
55.01873	3.2
55.05509	8.5
57.03432	19.5
57.07064	2.6
59.05000	4.7
60.28439	1.6
61.02921	4.7
61.25579	1.6
65.03943	2.2
67.05500	18.9
69.03428	77.2
69.07069	6.3
70.06587	2.5
71.04992	15.7
73.02938	4.0
75.04474	3.3
76.65162	1.5
79.05489	16.1
81.03408	6.5
81.06563	3.7
81.07054	76.5
83.04977	5.9
83.08599	2.3
84.08167	2.4
85.02903	97.0
87.04465	51.4
91.03943	3.0
91.05476	15.9
93.07045	30.6
95.04967	10.7
95.08600	39.9
95.09209	2.2
97.02887	71.4
97.06535	2.4
97.10155	3.2
99.04465	7.5
105.07021	38.7
107.08591	32.8
107.09255	2.7
109.02882	6.9
109.06525	4.2
109.10162	30.9
111.04462	4.9
115.03928	100.0
116.04278	2.5
116.32037	1.5
117.07018	4.0
119.04920	2.2
119.08578	38.1
120.64551	1.8
121.06506	4.5
121.10118	18.6
123.04433	2.4
123.08105	3.4
123.11712	22.8
125.05939	2.1
125.09716	1.7
127.03909	17.7
129.05479	9.6
131.08588	7.1
133.04956	90.1
133.10107	25.2
135.08069	3.4
135.11676	22.4
137.05943	3.1
137.09633	1.7
141.27132	1.9
142.07782	2.2
143.08554	4.9
145.04959	28.4
145.06163	2.6
145.10075	9.0
147.04465	4.2
147.06458	7.3
147.07971	2.2
147.11687	19.5
149.09579	3.6
153.09096	2.7
155.08556	2.1
157.10083	10.7
159.08015	2.3
159.11697	13.6
161.09647	5.3
161.13251	37.7
163.06021	16.9
165.09161	2.3
169.04909	3.2
169.10135	3.5
171.11699	3.2
173.09619	2.5
173.13245	4.7
175.11165	3.4
175.14813	2.8
177.05525	2.7
177.09114	2.0
179.10678	2.0
181.04977	2.6
181.10146	2.6
183.11713	3.6
185.09628	2.1
185.13280	5.2
187.14803	2.9
189.12708	2.3
189.16376	72.0
190.16689	2.5
193.08928	1.8
197.13295	2.4
199.14780	4.1
201.16534	1.8
203.14522	1.8
203.17970	14.6
207.11836	2.1
213.16423	4.0
215.10776	2.4
215.14340	2.0
217.15875	17.4
223.06029	2.5
231.17363	4.4
235.16911	75.6
236.17130	2.5
241.07117	4.6
247.16866	2.5
259.08127	11.3
259.16910	8.0
267.17688	3.0
277.09149	2.6
277.18100	4.2
283.17230	2.1
285.18521	4.9
289.08920	1.9
295.10272	15.9
295.16849	3.3
301.18018	3.5
309.11603	2.8
313.18002	6.6
319.24777	1.9
321.20660	3.9
322.17505	2.0
325.11246	12.7
331.19019	11.9
349.19977	10.6
349.23843	2.6
361.20044	2.5
367.24722	2.3
379.20938	3.7
397.22037	2.0
482.22101	2.0
726.34137	14.1
727.18164	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
53.31816	0.9
55.01864	5.8
55.05511	17.5
57.03434	10.4
57.07062	1.4
59.04992	1.5
61.02928	12.1
65.03928	3.0
67.05502	53.6
69.03423	8.5
69.07068	17.6
71.04987	5.5
71.22135	1.2
72.12402	1.0
73.02902	4.0
79.05489	29.4
79.08147	0.9
81.03410	10.1
81.07056	33.0
83.04973	6.0
83.08620	13.2
85.02900	20.7
85.06537	3.4
91.03960	10.0
91.04935	1.8
91.05477	28.3
93.07041	28.3
95.04970	6.4
95.08600	19.2
97.02886	9.8
97.06533	10.1
97.10162	11.7
99.04454	1.6
99.08080	2.3
103.03934	1.9
105.04510	1.4
105.07022	23.5
107.04948	6.4
107.08588	34.8
109.02846	1.7
109.06519	3.6
109.10149	40.0
110.10475	1.3
111.04423	1.0
111.08063	5.5
115.03912	1.0
117.07005	9.3
119.08578	19.5
121.06503	3.3
121.10143	11.0
123.08103	2.0
123.11716	3.0
125.09631	12.0
127.03912	5.0
129.05484	1.1
129.06998	3.3
131.08553	13.8
133.06494	1.3
133.10117	18.8
135.08069	2.8
135.11702	7.4
137.05994	0.9
137.09608	3.2
141.06924	1.7
143.08543	4.1
145.04933	5.1
145.10118	19.3
146.70975	1.0
147.07924	1.3
147.11664	9.5
149.09584	11.2
149.13252	4.2
151.11252	1.6
153.05461	1.2
153.09079	2.1
155.08617	2.4
155.10620	5.5
157.06575	0.9
157.10132	3.6
159.08104	1.3
159.11688	14.9
160.83742	0.9
161.09627	2.0
161.13228	4.4
163.06042	4.0
163.11186	6.3
169.10086	2.1
171.10213	3.6
171.11693	4.1
173.11732	16.0
173.13257	5.8
175.11148	1.7
175.14777	1.0
177.12714	6.7
179.14270	4.3
181.12125	1.2
183.11626	2.4
185.13277	1.3
187.11205	1.7
187.14822	1.2
189.11215	6.1
193.12274	1.3
195.13779	1.8
197.13255	2.7
201.12819	1.4
215.14380	0.9
227.12753	12.3
229.14328	69.9
229.19345	2.7
230.14691	2.4
233.15407	1.0
239.17924	5.1
243.15906	1.0
245.13783	6.9
247.20554	3.4
255.15923	7.6
257.18982	16.4
267.16000	1.8
269.17477	24.8
275.20038	40.0
276.20215	1.2
283.15573	1.2
309.20615	2.2
331.22540	1.6
349.23709	100.0
350.24069	5.1
367.24741	14.9
389.17993	1.8
391.24634	1.6
413.21820	1.3
493.27530	1.5
511.28845	3.4
529.29138	1.2
646.55878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2078
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
53.03943	0.3
55.01856	0.3
55.05494	0.3
55.35614	0.1
57.03183	0.1
57.03436	2.3
57.43204	0.1
58.20948	0.1
59.04996	0.2
59.78471	0.1
61.02929	1.0
65.03939	0.2
67.05502	0.2
68.99778	0.3
69.03426	4.5
70.06577	0.2
71.01341	0.4
71.04989	8.7
72.08119	0.1
73.02892	0.7
75.04463	0.5
79.05462	0.2
81.03425	0.6
83.01335	0.2
83.04983	1.5
85.02898	13.2
87.03972	0.2
87.04468	2.4
91.03963	0.8
95.04949	0.4
97.02887	5.6
97.06519	0.2
99.04446	0.8
101.02377	0.2
103.03911	0.2
105.03397	0.3
107.04961	0.2
109.02873	0.4
111.00780	0.5
111.04438	1.3
113.02345	0.2
113.05985	0.2
115.03923	3.7
117.05474	0.3
121.02856	1.9
121.06538	0.2
125.06003	0.1
127.03918	0.7
129.05475	3.2
133.02864	0.4
133.04959	2.7
135.04443	0.3
137.02332	0.5
137.05943	0.3
139.03870	0.4
141.06961	0.1
145.04939	0.8
145.06467	0.2
147.04391	0.3
147.06509	1.5
149.04439	0.3
151.03879	0.6
153.01825	2.4
153.05417	0.3
157.06435	0.2
163.06041	0.2
165.01805	1.0
169.04967	0.3
171.06537	0.6
179.07011	0.2
181.04996	0.2
183.02907	0.7
185.05905	0.4
189.05513	0.1
189.07607	0.2
199.05840	0.2
207.06613	0.3
213.05446	1.1
225.07616	0.6
231.06531	0.4
241.04939	0.6
243.08684	0.6
255.08656	0.2
258.05243	0.7
259.05844	0.2
261.09683	1.0
279.10757	0.3
287.05478	100.0
288.05795	2.8
293.78909	0.1
295.10196	0.2
295.46310	0.1
299.05542	0.6
325.06824	0.2
329.06570	0.6
353.06500	0.5
369.15274	0.2
419.09671	0.2
441.96753	0.2
449.10852	1.8
576.69037	0.1
595.88757	0.2
626.59119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89849	0.2
66.07920	0.2
70.72982	0.4
70.84906	0.2
91.16694	0.2
104.73419	0.2
110.13960	0.2
153.63965	0.2
155.30200	0.2
172.12006	0.2
176.81381	0.2
212.48753	0.2
215.11320	0.2
333.20325	100.0
334.20642	5.4
417.09412	14.2
418.09592	0.6
458.11978	0.3
475.58994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86315	0.4
53.03946	1.7
53.99723	0.5
55.01862	1.5
55.05506	1.6
57.03432	1.3
57.37170	0.5
61.02918	1.4
64.07770	0.4
67.05505	2.7
68.99792	0.7
69.03435	4.2
69.07060	1.6
71.04970	0.9
73.02921	0.9
75.04501	0.8
78.04709	0.6
79.05496	2.9
80.06287	0.5
80.53160	0.4
81.03427	5.6
81.07053	2.1
83.08607	0.8
85.02905	9.1
87.00833	3.7
88.64777	0.5
90.04686	0.5
91.05477	4.9
93.07054	2.1
95.04965	2.9
95.08616	1.6
97.02898	3.3
97.06548	1.7
99.04436	1.6
103.05461	1.0
105.01878	1.5
105.07020	2.3
105.27834	0.5
107.04962	4.5
107.08589	1.8
108.05740	2.9
108.08914	0.7
109.02876	4.1
109.06497	1.4
109.10127	0.6
111.04427	1.4
115.03918	0.5
117.06990	1.1
119.08562	1.8
121.06509	1.8
123.08047	0.9
127.03909	4.9
129.07018	0.6
131.04890	1.0
131.08583	1.1
133.06493	1.2
133.10112	0.9
135.04395	2.0
135.08037	1.2
135.11720	0.6
136.05176	5.1
137.05975	3.0
138.06786	1.2
145.04941	1.5
145.06473	1.6
145.10123	0.5
147.08020	1.4
147.11696	0.6
148.05196	5.3
149.06006	1.2
149.09604	0.6
150.06772	1.2
151.07542	100.0
152.07837	1.6
158.07286	0.5
159.02852	1.2
159.08018	1.3
159.11719	0.6
160.08798	0.7
161.05981	3.8
161.09587	1.1
162.06799	0.6
163.07516	4.3
164.08270	1.2
165.05368	0.6
165.09114	6.5
166.06261	11.5
167.07054	2.7
171.08049	1.0
172.08766	1.3
173.06042	0.7
173.09660	0.5
174.06755	1.2
175.07547	1.1
176.08319	2.9
177.05562	0.8
177.09116	10.4
177.12779	0.7
178.09439	0.8
179.07047	1.0
179.10594	2.8
180.07813	1.1
181.08595	63.7
182.09042	1.6
183.10143	0.6
186.10420	0.6
187.07523	1.3
188.08345	2.8
189.09137	4.3
190.09875	1.2
191.07034	1.0
191.10645	4.4
193.08609	3.5
194.09299	0.6
195.10191	3.8
201.09129	1.4
202.09888	2.9
203.10692	5.2
205.08620	1.0
205.12210	0.8
207.10193	3.4
215.10652	1.3
216.11429	1.6
217.08382	0.5
217.12230	4.5
219.10127	1.8
221.11688	2.6
225.11234	0.7
229.08641	0.7
231.05009	0.8
233.11726	2.8
235.13353	1.0
243.10287	0.7
245.11595	0.5
247.13318	2.4
265.14404	0.8
269.17355	1.0
270.17941	0.6
275.19962	1.2
276.20313	0.8
277.21484	0.5
317.49359	0.5
318.09418	0.6
325.14072	0.5
339.15866	1.3
349.23792	1.5
350.24124	1.5
351.24448	1.5
353.17337	1.3
354.18332	3.1
369.26181	0.9
370.17728	11.1
371.18243	0.8
385.20096	45.4
386.20514	2.3
394.18051	0.5
395.18668	0.6
403.21158	59.6
404.21564	2.4
427.21027	1.1
451.21164	0.6
463.23050	1.2
493.21976	1.4
511.23038	0.7
549.20111	0.6
571.25311	0.6
728.31897	1.5
729.32568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99582	0.4
61.46526	0.4
66.71584	0.4
67.05474	0.6
67.98741	0.4
69.07030	0.5
70.07648	1.1
70.08005	0.4
85.02876	0.7
97.93574	0.4
99.71344	0.4
107.08572	0.5
120.41610	0.5
130.54089	0.4
147.50714	0.4
161.73685	0.4
185.04173	1.1
201.03566	0.6
226.73271	0.4
238.48161	0.4
312.33838	0.4
315.10492	0.5
317.16769	0.5
331.09982	1.2
331.18784	0.6
347.09393	0.9
349.19833	100.0
350.20197	4.2
351.21222	0.4
351.25119	0.6
352.24890	0.4
363.08804	0.7
373.14246	0.4
403.07928	4.2
405.22449	0.8
431.19070	0.5
493.15137	1.3
567.27777	7.7
568.27338	0.5
589.96411	0.5
632.68933	0.4
657.30347	0.8
729.32990	50.1
730.33282	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06598	0.3
58.13261	0.3
61.55349	0.3
61.93177	0.3
70.72951	0.6
77.83884	0.4
84.41171	0.3
98.23003	0.4
100.96172	0.3
113.12925	0.3
154.85872	0.3
185.04201	1.5
201.03828	0.7
203.05389	0.5
259.07913	1.1
275.07358	0.5
301.09183	0.5
331.09811	1.6
347.09467	1.7
349.20007	1.1
363.09088	1.1
373.14914	0.3
387.16620	0.5
405.22537	3.3
421.13226	0.6
469.20499	0.8
493.15448	1.5
497.20328	0.3
535.19977	0.6
567.27771	20.2
568.27789	0.5
631.25757	0.7
701.34576	0.4
729.33002	100.0
730.33258	6.6
750.50488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01862	1.4
57.03436	1.3
61.02917	1.6
69.03418	4.0
69.61820	2.7
70.06582	1.4
71.04994	1.1
71.06966	0.6
72.63931	0.6
73.02898	0.7
78.04745	0.6
79.05491	3.7
81.03419	6.7
84.04492	0.8
85.02898	12.8
86.09679	1.1
87.08335	0.7
91.03983	1.0
91.05482	2.5
95.04954	2.3
97.02886	3.9
97.20835	0.5
99.04459	0.8
102.40350	0.6
103.05470	2.1
105.07026	3.1
107.04942	10.6
109.02883	1.4
109.06467	1.1
111.04457	1.1
115.05447	10.2
117.07021	9.0
119.04958	1.1
119.08567	1.3
122.03619	2.9
123.04420	2.2
124.05190	1.9
125.05967	1.9
127.03910	2.3
127.05430	0.7
128.06190	1.9
129.06068	0.9
129.06985	8.4
131.04890	4.8
131.08559	3.9
132.05748	0.9
133.06491	2.0
136.90024	0.7
137.05969	70.1
138.06296	1.4
141.07031	1.3
143.04915	10.5
144.05681	3.6
145.04985	3.0
145.06479	25.9
146.06882	0.7
147.04416	1.3
147.08017	2.0
149.05959	1.2
151.03891	1.6
151.07565	0.9
152.04608	0.8
153.05396	1.8
155.05997	4.4
155.07121	1.0
156.05681	4.3
157.06487	6.1
158.07202	1.0
159.08044	5.7
160.05194	14.6
161.05974	8.1
162.07622	1.8
163.03911	0.8
163.07494	2.4
167.07028	52.4
168.07393	1.5
169.07669	0.8
172.05186	3.7
173.05971	47.3
174.06645	2.8
175.07533	100.0
176.07835	2.2
177.05438	2.5
177.08975	0.7
178.07724	0.7
179.07056	0.8
180.08659	4.3
181.04863	0.8
181.08519	0.9
183.06598	1.3
184.05301	1.4
185.05902	1.5
186.06781	1.0
187.07530	44.7
188.07997	1.5
189.09113	7.1
190.06236	20.2
190.07892	1.4
191.07024	3.6
191.08478	0.8
193.08646	2.0
199.07579	2.5
201.09138	0.9
202.06200	2.7
203.06956	5.5
203.08565	1.3
205.08586	87.9
206.07245	1.4
206.09001	1.6
207.06468	1.0
207.10086	0.8
215.08659	1.0
217.06950	1.3
217.08583	36.6
218.07159	1.6
218.09081	1.0
219.08116	1.2
219.10034	3.8
221.09621	2.1
223.07634	0.8
223.09601	1.3
226.06200	1.5
231.08000	2.4
232.08789	0.9
233.09604	3.5
234.06747	2.0
235.07710	2.1
235.09631	58.0
236.09944	1.4
239.06940	1.6
241.08569	3.4
246.06786	0.8
247.07413	1.5
247.09633	8.1
248.08257	1.1
249.09090	5.6
250.10005	1.1
251.07045	2.0
251.19170	0.8
252.07716	0.7
261.09149	5.4
262.06180	1.0
262.09860	1.1
263.06973	2.2
263.10730	0.7
265.10699	52.3
266.09015	0.9
266.11334	0.9
269.08112	1.9
271.06058	0.7
277.08676	4.7
278.09406	2.5
281.11746	6.4
285.07581	5.1
289.08499	1.7
290.09320	1.2
293.08319	0.9
293.11569	3.8
294.08795	1.5
295.09717	0.9
300.09891	8.7
301.10776	4.1
306.08810	2.0
307.09534	1.8
309.11145	8.0
311.09131	0.8
313.10678	1.9
321.11194	5.9
322.11856	1.2
323.08957	1.2
325.10516	0.9
326.11530	3.0
338.11456	0.9
339.12418	1.5
341.13791	24.1
342.14386	1.1
353.09314	1.2
353.13773	20.5
354.13837	1.1
371.14871	41.3
372.15265	1.1
389.16095	0.7
512.33417	0.7
533.20142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01870	3.4
55.05513	7.6
57.03434	8.2
57.07071	1.5
59.04970	0.7
61.02673	0.5
61.02927	3.8
65.03938	1.5
67.05504	7.9
68.99782	2.2
69.03425	30.3
69.07064	6.3
69.27833	3.7
71.01352	2.8
71.04988	26.1
73.02921	5.3
75.04468	2.2
79.05487	10.4
81.03411	22.5
81.06619	0.9
81.07051	9.0
83.01321	0.8
83.04977	23.2
83.08605	4.0
85.02898	100.0
86.03236	0.9
87.00826	27.4
87.04469	1.1
91.05472	8.6
93.03381	1.2
93.07035	17.4
95.04962	7.1
95.08599	11.3
97.02884	17.3
97.06510	2.9
97.10185	1.9
99.04449	10.9
101.06017	0.8
103.03945	4.6
103.05462	1.1
105.01860	49.4
105.04511	0.7
105.07018	9.7
107.04958	2.6
107.08585	20.1
109.02869	24.1
109.06531	1.8
109.10158	7.6
111.04433	39.3
111.08092	1.3
113.02351	2.4
113.05993	1.4
115.03926	1.2
115.05460	0.6
117.01920	0.7
117.05511	0.6
117.07003	4.1
119.08571	10.0
121.06514	2.1
121.10137	11.4
123.04411	5.1
123.08027	0.9
123.11694	5.0
125.02363	2.2
125.05997	5.0
125.09581	0.7
127.03905	59.3
128.04204	0.6
128.06169	0.9
129.01810	3.7
129.05472	12.1
129.06956	1.1
131.04950	0.9
131.08543	4.0
133.06500	0.7
133.10114	6.1
135.04424	4.1
135.08130	0.8
135.11681	23.1
136.11977	0.7
137.05960	2.4
137.13199	2.8
139.03925	3.0
139.07494	2.8
143.08553	2.6
145.04956	12.7
145.10124	5.2
147.02879	6.6
147.06525	4.6
147.08043	1.2
147.11650	3.1
149.05986	2.5
149.13287	4.3
151.03880	3.5
151.07541	1.3
153.01776	0.9
153.05495	1.9
153.09091	2.2
155.08530	0.8
156.09273	0.7
157.04993	1.9
157.10100	3.1
159.02881	4.2
159.06505	0.8
159.08017	0.8
159.11707	3.5
161.09634	1.2
163.03908	0.7
163.07599	1.3
163.14822	1.0
164.09125	0.7
165.05460	1.2
165.09103	1.7
167.07066	0.9
167.10680	1.1
169.04974	1.5
169.10153	0.9
171.02878	2.3
171.06583	1.9
171.11720	2.4
173.04468	5.9
173.09607	1.2
173.13228	1.8
175.07635	0.7
176.88664	0.6
177.04024	0.7
177.05487	2.1
177.09138	1.0
179.10721	2.2
181.04996	2.3
183.11691	0.9
185.04272	1.1
185.09645	1.2
185.13263	1.1
187.05983	1.0
187.11168	0.7
187.14827	0.8
189.03929	12.3
189.09109	1.4
191.07079	2.1
191.10605	3.9
193.04955	2.2
193.12294	1.4
195.06549	2.8
199.14828	1.0
201.03903	0.8
201.12872	0.8
203.10724	2.7
205.12184	4.2
209.08072	0.7
211.05981	0.7
211.10968	0.7
213.03946	16.1
213.05801	1.2
213.07582	2.3
215.05525	2.2
215.10683	1.0
217.12213	5.4
219.06657	0.7
219.13777	3.3
227.09225	0.7
229.12222	1.9
231.04987	22.3
231.08687	2.5
231.13795	4.5
233.06657	1.2
233.15381	1.3
237.07541	14.8
244.75690	0.6
245.15405	4.0
249.06020	12.4
250.75214	0.8
255.04985	1.0
255.05846	1.0
255.08614	10.6
255.13898	0.8
257.15295	1.2
259.16925	1.4
273.06116	3.1
273.09445	0.8
275.07684	2.3
285.06049	1.3
299.20001	4.3
301.21594	47.6
302.22067	2.1
311.20221	1.1
313.21509	1.6
315.07364	1.2
315.10715	8.5
323.07675	0.9
325.21793	1.8
337.21649	0.9
341.08652	8.6
343.22632	1.8
349.21927	0.7
355.22626	1.4
359.09723	15.7
360.09827	0.7
367.22745	1.5
377.10733	14.8
391.22836	1.4
393.23956	1.0
395.11798	0.8
409.23837	1.2
411.25571	1.2
429.26559	1.2
447.27484	0.8
495.23636	0.9
513.24896	2.7
531.26196	1.4
549.26880	2.1
569.28973	0.8
658.30658	1.6
730.34595	4.1
731.34698	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16204	2.6
71.41047	2.6
71.47188	3.3
111.44437	3.2
234.94987	3.1
315.37662	3.2
423.22165	6.9
537.25415	7.4
553.28503	4.2
554.25256	7.8
597.27228	4.1
612.28986	5.8
667.27600	6.1
699.30078	68.7
700.31543	4.9
731.32855	100.0
732.33038	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00468	0.3
57.49063	0.3
59.45843	0.3
65.27976	0.3
69.68887	0.3
69.69221	1.3
81.07095	0.3
85.02952	0.4
98.23383	0.6
139.65735	0.3
157.04689	0.3
166.09407	0.3
185.04196	2.2
201.03757	1.0
203.05150	0.4
259.07846	0.7
269.13599	0.5
275.07486	0.5
293.10190	0.3
301.09070	0.4
314.72281	0.3
331.10126	2.2
345.11319	0.5
347.09464	2.4
363.08966	1.5
387.15933	0.4
401.17780	0.4
407.24011	2.1
421.13461	0.4
431.18875	4.5
437.12936	0.7
445.20651	1.0
457.20477	0.9
468.22855	0.3
471.22144	0.9
483.22134	0.5
487.21506	0.5
493.15384	2.1
500.44873	0.3
507.16949	0.6
521.18933	0.3
533.22021	0.7
535.20044	0.5
541.29474	0.4
551.28381	0.4
569.29260	16.4
570.29773	1.2
593.23987	1.1
607.26056	0.7
633.27472	0.5
645.27246	0.5
713.32941	0.4
731.34540	100.0
732.34918	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
69.03418	0.6
70.06577	0.4
72.08164	0.4
73.27431	0.2
81.03432	0.4
85.02915	2.1
86.03340	0.2
86.07280	0.2
91.05480	0.8
97.02888	0.5
103.05463	0.3
107.04923	0.5
115.05431	1.1
117.06998	0.5
117.78308	0.2
119.04952	0.2
127.03900	0.5
128.06207	0.5
129.07002	5.1
131.04898	0.8
131.08565	5.4
133.06493	0.3
135.08083	0.2
137.05978	1.9
141.06989	4.0
143.04926	0.6
143.08536	0.4
144.05682	0.7
145.04947	0.4
145.06422	0.9
146.07269	0.4
151.03908	0.4
151.07529	0.3
157.06482	5.1
158.07236	2.1
159.08054	5.6
160.05148	0.6
161.05951	0.3
161.09598	0.7
163.07545	0.8
167.06998	1.5
169.06465	2.2
169.07651	0.4
170.07266	1.0
171.07994	0.4
173.05943	0.4
174.06766	10.8
175.07526	2.8
177.05453	0.7
180.08667	0.4
186.06728	2.8
187.07581	0.9
188.08304	0.7
189.09102	22.6
190.09462	0.4
191.06995	0.5
191.10652	1.9
201.09109	8.5
203.10751	0.3
207.10155	0.8
219.10155	100.0
220.10483	2.6
237.11201	2.0
249.11209	5.0
286.71771	0.2
357.16913	0.5
375.18079	0.2
381.15247	0.4
575.62817	0.2
722.47791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
57.03422	0.7
65.03944	0.3
67.05502	0.6
69.03416	1.0
69.80029	0.5
69.80402	0.5
69.88138	0.3
69.97831	0.3
70.06574	0.5
71.04993	0.3
73.02924	1.5
75.04446	0.5
75.29032	0.3
78.04684	0.4
79.05479	1.1
80.06261	0.4
81.03382	1.0
81.07054	0.4
85.02901	1.9
87.04486	0.3
89.23286	0.3
91.05466	3.0
93.07030	0.8
95.04951	1.2
97.02868	1.1
103.05441	0.8
105.03391	0.4
105.07014	0.7
106.04178	0.4
107.04950	4.2
108.05734	2.5
109.02872	0.3
109.06522	0.7
115.03856	0.5
115.05437	0.3
117.07014	0.7
118.04172	0.5
118.08626	1.1
119.04900	0.8
119.08560	0.4
119.11669	0.2
121.06506	1.8
123.04411	0.5
123.08069	0.4
127.03921	0.5
129.07019	0.3
131.04898	1.2
132.62077	0.3
133.06491	1.2
134.35834	0.3
135.04401	1.9
135.08086	1.3
136.05200	4.6
137.05956	3.3
138.06743	0.8
143.08620	0.3
144.05638	0.4
145.04976	0.3
145.06462	1.1
146.07234	0.9
147.04373	0.6
147.08014	1.2
148.05194	4.5
149.06004	0.6
150.06694	1.0
151.07533	100.0
152.07870	2.2
153.09152	0.3
155.58482	0.3
157.06523	0.3
158.07268	0.4
159.08018	0.8
160.08842	0.6
161.05981	2.5
161.09613	0.6
162.06691	0.6
163.07512	3.4
164.08295	0.8
165.05431	0.4
165.09093	4.8
166.06248	9.3
167.07027	2.6
168.07761	0.5
171.08041	0.5
172.08772	0.9
173.05981	0.9
173.09601	0.6
174.06761	0.7
175.07552	0.9
176.08307	2.5
177.05518	0.6
177.09108	8.6
178.09863	0.5
179.07010	0.7
179.10654	1.3
180.06319	0.3
180.07797	1.1
181.08586	60.1
182.09071	1.2
186.10379	0.9
187.07530	1.1
188.08313	2.1
189.09067	3.0
190.09853	1.4
191.07018	1.1
191.10632	3.8
192.07896	0.4
193.08609	2.8
194.09364	0.7
195.10147	3.2
199.07484	0.4
201.09135	1.6
202.09874	2.6
203.06940	0.4
203.10666	4.5
204.11331	0.4
205.08527	1.4
205.12146	0.4
206.09311	0.6
207.10132	3.4
215.10710	0.7
216.11403	1.6
217.08661	0.6
217.12250	5.0
218.09341	0.5
219.10086	0.8
221.11713	2.7
231.10237	0.6
232.10930	0.3
233.11797	2.6
235.13217	1.4
242.57866	0.2
247.13303	2.1
251.12724	1.2
263.00534	0.3
265.14383	1.7
270.25647	0.3
321.14908	0.5
339.16055	0.6
353.17612	1.4
354.18198	2.6
355.18954	0.4
370.17715	8.9
371.18372	0.5
385.20065	31.4
386.20496	1.6
397.20023	0.4
403.21143	49.6
404.21518	2.5
421.22186	4.9
517.21204	0.5
519.13055	0.3
529.24359	0.4
543.19800	0.4
575.21893	0.5
700.26740	0.4
732.28986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03938	0.1
55.01878	0.5
59.42337	0.1
65.03956	0.4
66.04734	0.2
67.05476	0.2
69.03427	0.2
70.06601	0.1
73.75561	0.1
77.03948	0.2
79.05502	0.5
81.03414	5.2
81.07044	0.3
83.04976	0.4
85.02900	0.5
86.09699	0.1
89.03922	0.2
89.27213	0.1
91.05482	2.0
94.04176	1.0
95.04965	0.5
97.02876	0.2
102.04667	0.2
103.05470	1.1
105.03411	0.3
105.04557	0.1
105.07024	1.8
107.04955	0.5
109.02853	0.3
109.06523	0.5
115.05466	1.1
117.07013	1.1
118.08659	0.6
119.04944	2.8
121.02866	0.2
121.06512	0.3
122.03638	3.4
123.04400	0.3
123.08039	0.2
125.06004	0.2
128.06233	0.5
129.07001	2.4
130.04153	0.4
131.04918	1.7
131.08591	0.2
133.02856	0.2
133.06483	1.8
135.04417	0.3
136.05203	0.1
137.05974	100.0
138.06329	1.6
141.07007	0.3
142.47998	0.1
143.04993	0.9
143.05963	0.2
144.05679	0.4
145.06459	1.1
146.03612	0.2
147.04407	2.8
147.08052	0.3
149.06000	0.5
150.06813	0.2
151.03908	2.9
151.05008	0.3
151.07544	2.0
153.05470	0.2
157.06485	3.0
158.07207	0.2
159.04431	0.3
159.08038	0.3
160.05193	1.8
161.05968	4.4
162.06740	1.6
163.07536	1.4
165.05453	0.2
169.06473	0.2
171.08089	0.3
172.05225	0.3
173.05994	0.6
174.06812	0.9
175.07539	18.0
176.07922	0.4
177.05452	0.5
177.09114	0.5
179.07051	1.5
181.06404	0.2
184.05103	0.3
185.05995	0.8
186.06767	0.2
187.07533	4.7
187.09253	0.2
188.08315	0.6
189.09093	3.7
191.07008	0.3
195.06561	0.1
199.07532	1.8
201.09143	0.3
203.06960	0.2
205.08597	16.0
206.08871	0.3
207.08054	0.3
207.10117	0.3
211.07549	0.5
213.09132	0.2
217.08575	5.9
219.08127	0.3
219.10091	1.3
224.08220	0.1
225.09166	0.2
229.08559	0.7
231.07965	0.2
235.09636	7.2
236.10028	0.2
237.09010	0.2
241.08641	0.2
251.06995	0.2
253.08614	0.4
259.09659	0.4
261.09055	0.2
263.10703	0.2
265.08783	0.1
267.10129	0.7
269.08154	0.2
275.10672	0.2
277.08716	0.1
281.08102	0.2
283.09619	0.5
285.11172	0.4
291.10196	0.2
295.09741	0.2
297.11243	0.3
299.12689	0.5
305.11353	0.2
307.09665	0.1
309.10986	0.2
315.12384	0.2
321.11200	0.3
323.12769	0.6
325.10568	0.2
327.12399	0.1
329.13675	0.1
335.12720	0.7
337.14401	0.2
339.12137	0.2
347.12674	0.4
353.13657	0.4
357.13174	0.5
365.13751	1.0
383.14801	0.5
395.14713	0.3
418.14014	0.2
429.16730	0.2
449.15530	0.2
459.17841	0.2
471.17807	0.2
487.17502	1.3
489.18832	0.5
501.18872	0.3
507.19785	0.7
519.20081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
51.17441	0.3
53.71466	0.3
55.01871	3.1
65.03937	0.6
66.04721	0.3
67.05496	0.4
69.03434	0.5
69.74449	0.8
69.74814	0.6
70.06590	0.5
75.03281	0.3
79.05493	1.6
81.03412	3.9
81.07063	0.8
83.04995	0.5
85.02892	0.7
88.17391	0.3
91.05475	4.8
94.04189	1.5
95.04980	1.2
97.02882	0.6
98.22681	0.4
102.04670	0.4
103.05470	2.6
103.23623	0.3
105.03410	0.5
105.04499	0.4
105.07025	4.6
107.04946	1.1
108.05768	0.3
109.06513	1.4
110.11868	0.3
115.05460	4.5
117.07034	3.4
119.04939	6.1
121.06503	0.9
122.03638	4.5
123.04420	1.1
123.08057	0.4
125.06034	0.4
127.03878	0.4
128.06218	4.3
129.07002	17.1
130.04114	1.1
130.07330	0.3
131.04921	3.6
131.08562	0.5
133.02872	0.7
133.06468	4.7
134.55504	0.4
135.04413	0.5
137.05972	100.0
138.06311	1.2
140.25493	0.3
141.06940	0.3
143.04930	4.8
143.06012	0.6
143.08543	0.7
144.05664	1.3
145.06485	5.4
146.03659	0.7
146.07260	0.5
147.04427	5.9
147.08076	0.8
149.05998	1.5
149.09648	0.4
151.03912	6.8
151.05019	0.9
151.07526	5.9
152.07912	1.5
153.05452	0.5
155.06035	0.8
156.05724	1.2
157.06480	21.2
158.07146	0.8
159.04381	0.4
159.08060	0.5
160.05185	10.2
161.05974	12.9
162.06735	4.1
163.07530	3.1
165.05460	0.5
166.30746	0.4
167.04936	0.6
171.08014	1.0
172.05238	0.8
173.06032	2.7
174.06769	5.1
175.07538	76.2
176.07886	1.4
177.05479	0.8
177.09111	2.9
179.07002	3.7
181.08617	1.6
184.05118	1.1
185.05957	5.3
187.07529	17.6
188.08295	5.4
189.09094	17.7
191.06946	0.6
191.08582	0.5
191.89369	0.3
193.08443	0.4
199.07549	6.8
201.05423	0.6
202.06299	0.9
203.07054	1.0
204.07681	0.5
205.08592	20.7
207.10143	1.4
211.07510	1.4
213.09093	0.7
217.08588	25.8
218.09108	0.8
219.08098	0.6
225.09142	0.3
229.08604	1.3
231.08041	0.5
233.08118	1.5
235.09630	21.5
236.09995	0.5
239.06863	0.4
241.08350	0.6
247.07401	0.4
251.06993	0.6
253.08643	0.6
259.09689	0.7
263.10403	0.5
265.08521	0.9
267.10242	0.4
275.10538	0.5
277.08636	0.5
279.09888	0.4
283.09561	0.5
285.11227	1.0
289.08429	0.5
291.10138	0.8
295.09875	0.4
297.11151	0.8
303.09900	0.6
309.11179	0.5
320.10251	0.3
321.11255	0.8
323.12619	1.2
335.12817	1.8
347.12604	0.8
353.13870	0.5
357.13220	1.5
365.13821	2.0
383.14847	0.7
385.20126	0.6
386.20349	0.6
395.14783	0.8
402.16025	0.3
403.20996	0.4
404.21432	0.9
405.21689	0.7
448.14926	0.7
459.17850	0.5
465.07904	0.4
487.17615	4.0
489.18625	1.0
501.18692	0.9
507.19751	1.6
519.20074	3.2
542.51556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03937	0.2
53.75993	0.1
55.01866	0.4
55.07767	0.1
57.03435	0.3
61.02909	0.4
63.12860	0.1
65.03928	0.2
66.04714	0.3
67.05504	0.1
69.03418	1.1
70.06574	0.2
71.04980	0.2
73.02892	0.2
77.03919	0.3
78.04694	0.7
79.05489	2.7
81.03396	0.5
81.07037	0.6
85.02901	3.3
91.05473	2.3
93.07046	0.2
94.04176	2.2
95.04971	1.1
95.08600	0.2
97.02908	1.5
103.05459	6.9
104.05734	0.1
105.04475	0.3
105.07026	2.6
106.04170	0.5
107.04942	5.7
108.05747	0.2
109.02853	0.4
109.06493	0.9
111.04374	0.1
115.05444	1.6
117.07009	0.9
119.04927	0.7
119.08583	0.2
121.06493	1.2
122.03640	5.7
123.04433	2.0
123.08044	0.7
124.05209	1.7
125.05973	0.5
127.03908	0.6
128.06221	0.9
129.06985	0.8
131.04922	13.4
131.08540	0.7
132.05414	0.2
133.06482	4.7
135.04442	0.2
135.08043	4.7
136.05209	0.2
137.05966	100.0
138.06299	1.7
139.07544	0.2
141.06972	0.6
143.04918	1.4
143.05911	0.2
143.08562	1.4
144.05684	0.4
145.05011	0.8
145.06476	1.8
145.10152	0.3
147.04355	1.1
147.08022	1.4
149.06023	1.0
151.03896	0.6
151.07535	9.2
152.04663	0.9
152.07901	0.2
153.05418	0.6
153.06837	0.2
155.06029	0.3
155.08586	0.3
156.05650	0.2
157.06480	1.2
158.07301	0.6
159.08003	1.0
160.05202	0.9
161.05972	2.1
162.06664	0.4
163.07532	31.0
164.06688	0.2
164.07903	0.9
165.07877	0.1
165.09074	0.8
167.07022	55.5
168.07364	1.3
169.06485	0.4
171.08047	2.0
172.05157	0.4
173.05983	0.5
173.09624	0.9
174.06766	1.2
175.07530	6.5
176.08167	0.2
177.05487	0.2
177.09044	1.1
179.07069	1.8
180.08685	0.2
181.08601	1.0
186.06709	0.2
187.07515	2.9
188.08299	1.1
189.09085	2.4
191.07039	0.2
191.10677	0.2
192.07808	0.5
193.08600	3.9
194.09023	0.2
195.10051	0.2
199.42130	0.2
201.09085	1.5
203.08736	0.4
203.10643	5.2
204.07835	0.2
204.10989	0.2
205.08502	0.2
205.10170	0.5
207.10152	1.6
215.08585	0.2
218.07310	0.2
219.08130	0.1
219.10135	2.8
221.11723	1.5
233.09593	1.5
233.11736	1.8
237.09021	0.2
237.11185	0.5
250.09863	0.3
251.12764	1.4
261.09070	1.2
265.12271	0.9
275.10596	0.3
278.09503	0.3
293.11661	2.6
294.12396	0.2
295.13156	0.3
325.14325	10.2
326.14844	0.5
357.16928	30.9
358.17261	1.4
375.17993	42.4
376.18317	2.0
393.19073	1.4
399.18005	0.3
428.23032	0.2
430.33215	0.1
471.50012	0.2
672.74048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
65.03928	0.8
69.03430	1.1
69.79924	1.7
69.80295	0.5
70.06591	1.3
74.06367	0.5
79.05509	1.3
81.03439	0.8
85.02917	2.0
90.83284	0.4
91.05468	4.9
94.04192	0.6
95.04971	1.0
95.08613	0.6
97.02913	0.8
98.22816	0.9
103.05474	3.2
105.07020	2.3
107.04955	1.7
109.06530	1.5
111.04420	0.6
115.05466	1.3
117.07045	0.6
119.04958	4.9
121.06470	1.1
122.03613	2.6
127.03964	0.5
128.06229	0.9
129.07022	2.8
131.04935	4.3
131.08559	3.1
133.02829	4.6
133.06485	2.0
135.04488	0.5
137.05969	46.3
138.06329	1.3
141.06989	1.7
143.08536	0.9
144.05727	1.5
145.06511	1.4
146.07234	0.5
147.04411	4.5
147.08011	0.7
149.06007	3.3
151.03906	6.5
151.05034	1.1
151.07530	7.5
152.06271	0.6
153.05426	1.2
153.06863	0.5
155.08560	1.4
157.06474	2.8
157.10167	0.7
158.07314	1.0
159.08041	4.3
160.05183	0.9
161.05981	8.9
161.09613	1.4
162.06694	1.2
163.07573	4.0
165.05470	0.9
165.06976	1.2
165.09149	0.6
167.06981	0.7
167.08476	0.5
169.06500	1.2
170.07314	0.8
171.08098	1.8
172.08780	1.4
173.05991	0.7
173.09642	0.7
174.06779	1.6
175.07562	5.9
177.05446	1.7
177.09122	0.7
179.07069	1.5
181.06483	1.4
182.07292	2.1
183.08061	1.3
184.08844	0.8
185.05986	0.9
185.09601	2.4
186.06813	1.5
187.07556	4.4
187.11108	0.6
189.09120	5.9
191.07085	1.4
193.06445	0.7
194.07231	0.5
195.08093	1.2
195.10152	0.5
197.09555	2.6
198.06758	4.0
199.07515	4.0
200.08339	1.0
201.09074	4.7
203.08658	0.7
203.10632	0.5
205.06720	0.6
205.08618	1.2
207.10170	1.3
210.06685	1.3
211.07498	1.2
212.08327	1.5
213.09076	11.1
215.10599	3.0
217.08595	1.7
219.08046	1.2
219.10136	8.6
219.12122	0.9
224.08292	0.6
225.09125	4.3
227.10645	0.8
231.08038	1.3
231.10162	1.6
232.08641	0.6
235.07523	0.9
237.09068	1.3
243.07825	0.7
243.10162	10.1
245.09560	1.8
245.11780	0.9
247.07544	1.4
248.08333	1.2
249.09219	1.1
251.10526	0.8
253.08690	1.1
255.10196	2.1
257.09579	1.1
259.07343	0.7
261.08963	1.2
261.11331	1.6
263.07080	0.6
263.10696	1.2
264.07941	0.8
265.08508	1.8
273.08359	0.9
273.11227	16.9
274.09698	0.7
275.10770	1.6
276.07922	0.9
277.08661	1.6
277.12216	1.5
278.09317	0.9
279.10251	1.0
282.08939	0.5
283.09665	0.8
285.09006	1.2
286.09705	0.8
289.12222	1.3
290.09399	0.8
291.10068	2.4
292.10916	0.8
293.08115	0.9
293.11630	0.6
295.09628	0.8
297.11304	2.4
301.08566	0.5
302.09421	1.4
303.10117	1.6
305.11707	2.0
307.09689	2.2
308.10428	1.2
309.11148	1.3
311.12738	1.5
314.70285	0.5
317.11728	1.4
319.13223	0.6
321.11368	2.7
321.14679	0.7
322.12152	0.9
323.12830	1.4
325.10699	0.9
329.13940	1.5
333.11246	1.7
334.11896	0.9
335.12738	2.3
336.13425	1.1
337.14316	0.6
339.12140	1.1
341.13693	2.2
346.11945	0.8
349.14453	2.9
351.12265	2.1
353.13849	1.9
354.14551	3.3
355.15341	1.0
361.14508	0.8
365.13690	0.6
367.15375	13.1
368.16061	0.8
379.15326	5.8
385.16568	0.7
397.16440	100.0
398.16766	5.9
415.17331	1.0
455.65875	0.5
456.61902	0.5
479.20566	1.7
491.19897	0.9
503.20618	0.5
509.21484	0.6
521.21783	0.8
532.93329	0.5
567.04205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01874	0.7
69.03430	2.1
71.04993	0.8
71.46069	0.8
79.05468	1.4
80.17383	0.7
81.03455	0.8
85.02891	4.0
91.05484	5.7
94.04193	1.2
95.04980	1.6
97.02913	1.7
102.44480	0.7
103.05461	4.3
105.07042	3.4
107.04953	2.6
109.06528	1.1
115.05466	1.5
119.04935	7.3
121.06506	1.0
122.03674	3.6
127.03906	1.3
128.06239	2.2
129.06996	6.4
130.04121	1.2
131.04945	6.4
131.08571	5.3
133.02859	13.1
133.06503	2.0
134.03433	0.6
137.05978	52.9
138.06319	1.3
141.07025	3.5
142.07761	0.8
144.05719	1.9
145.06491	1.7
147.04428	6.6
149.05995	5.4
150.06763	0.9
151.03932	8.8
151.05034	1.5
151.07523	8.5
153.05496	1.5
153.06845	0.7
155.08563	1.2
157.06471	4.9
158.07243	1.2
159.08080	7.4
161.05978	17.8
161.09627	4.5
162.06714	2.5
163.07561	5.2
165.05536	1.5
165.07077	1.0
167.07098	1.6
169.06453	1.3
169.07761	0.8
171.08092	2.2
172.05295	0.8
172.08871	1.0
173.05977	0.7
173.09647	1.7
174.06801	4.1
175.07536	7.9
177.05473	2.7
179.07050	3.3
181.06496	1.2
182.07301	1.5
183.08084	1.5
184.08821	0.9
185.05994	1.1
185.09622	3.0
186.06808	1.2
187.07509	6.2
187.11201	1.3
189.09111	14.6
191.06984	2.4
191.08565	0.8
191.10742	0.7
197.09602	1.9
198.03598	0.7
198.06796	4.9
199.07559	3.7
201.09145	5.4
202.07932	0.9
203.06985	1.6
203.08830	0.9
203.10716	2.9
207.10167	11.5
210.06783	0.7
211.07637	1.6
212.08357	1.2
213.09076	9.8
215.10603	3.7
215.66638	0.8
217.08556	1.5
219.08041	2.3
219.10124	19.5
225.09074	4.3
227.10594	0.7
229.08466	1.2
231.08035	1.7
231.10229	2.1
234.06812	0.9
237.09161	1.1
243.10191	10.6
245.09660	1.6
246.10265	0.7
247.07561	1.4
248.08350	1.2
249.08954	1.2
250.06363	0.8
253.08551	0.8
255.10246	2.4
257.09567	1.2
261.08957	1.8
261.11380	1.6
263.10669	1.3
264.07553	0.8
265.08719	1.4
273.11224	16.5
275.10638	1.2
276.08087	1.1
277.08585	1.7
277.12408	1.3
279.10172	1.6
283.09644	0.9
285.11514	0.9
286.09793	1.0
289.12473	0.9
291.10126	3.7
293.08142	1.1
293.11578	1.4
295.09732	0.8
297.11325	2.5
297.35889	0.7
303.09943	1.5
305.11627	1.8
307.09564	3.3
308.10297	1.5
309.11078	4.1
310.11765	1.1
311.12610	1.5
315.09912	1.0
317.11731	2.1
319.09802	1.3
321.11264	2.5
323.12631	2.5
325.10852	0.9
325.14291	1.4
327.12357	1.1
333.11340	0.9
334.11914	0.8
335.12946	1.7
336.13467	1.1
337.14423	1.1
339.12070	0.8
340.12927	1.0
341.13773	6.3
347.12814	0.8
349.14343	2.7
351.12250	2.1
353.13834	2.1
354.14465	3.7
355.15356	1.3
359.14929	1.7
365.14020	1.0
367.15399	38.1
368.16031	1.7
375.66873	0.8
379.15326	13.0
385.16290	0.9
397.16455	100.0
398.16797	5.3
415.17444	1.3
479.20490	3.7
491.20569	1.3
638.07867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
65.03928	0.8
69.03430	1.1
69.79924	1.7
69.80295	0.5
70.06591	1.3
74.06367	0.5
79.05509	1.3
81.03439	0.8
85.02917	2.0
90.83284	0.4
91.05468	4.9
94.04192	0.6
95.04971	1.0
95.08613	0.6
97.02913	0.8
98.22816	0.9
103.05474	3.2
105.07020	2.3
107.04955	1.7
109.06530	1.5
111.04420	0.6
115.05466	1.3
117.07045	0.6
119.04958	4.9
121.06470	1.1
122.03613	2.6
127.03964	0.5
128.06229	0.9
129.07022	2.8
131.04935	4.3
131.08559	3.1
133.02829	4.6
133.06485	2.0
135.04488	0.5
137.05969	46.3
138.06329	1.3
141.06989	1.7
143.08536	0.9
144.05727	1.5
145.06511	1.4
146.07234	0.5
147.04411	4.5
147.08011	0.7
149.06007	3.3
151.03906	6.5
151.05034	1.1
151.07530	7.5
152.06271	0.6
153.05426	1.2
153.06863	0.5
155.08560	1.4
157.06474	2.8
157.10167	0.7
158.07314	1.0
159.08041	4.3
160.05183	0.9
161.05981	8.9
161.09613	1.4
162.06694	1.2
163.07573	4.0
165.05470	0.9
165.06976	1.2
165.09149	0.6
167.06981	0.7
167.08476	0.5
169.06500	1.2
170.07314	0.8
171.08098	1.8
172.08780	1.4
173.05991	0.7
173.09642	0.7
174.06779	1.6
175.07562	5.9
177.05446	1.7
177.09122	0.7
179.07069	1.5
181.06483	1.4
182.07292	2.1
183.08061	1.3
184.08844	0.8
185.05986	0.9
185.09601	2.4
186.06813	1.5
187.07556	4.4
187.11108	0.6
189.09120	5.9
191.07085	1.4
193.06445	0.7
194.07231	0.5
195.08093	1.2
195.10152	0.5
197.09555	2.6
198.06758	4.0
199.07515	4.0
200.08339	1.0
201.09074	4.7
203.08658	0.7
203.10632	0.5
205.06720	0.6
205.08618	1.2
207.10170	1.3
210.06685	1.3
211.07498	1.2
212.08327	1.5
213.09076	11.1
215.10599	3.0
217.08595	1.7
219.08046	1.2
219.10136	8.6
219.12122	0.9
224.08292	0.6
225.09125	4.3
227.10645	0.8
231.08038	1.3
231.10162	1.6
232.08641	0.6
235.07523	0.9
237.09068	1.3
243.07825	0.7
243.10162	10.1
245.09560	1.8
245.11780	0.9
247.07544	1.4
248.08333	1.2
249.09219	1.1
251.10526	0.8
253.08690	1.1
255.10196	2.1
257.09579	1.1
259.07343	0.7
261.08963	1.2
261.11331	1.6
263.07080	0.6
263.10696	1.2
264.07941	0.8
265.08508	1.8
273.08359	0.9
273.11227	16.9
274.09698	0.7
275.10770	1.6
276.07922	0.9
277.08661	1.6
277.12216	1.5
278.09317	0.9
279.10251	1.0
282.08939	0.5
283.09665	0.8
285.09006	1.2
286.09705	0.8
289.12222	1.3
290.09399	0.8
291.10068	2.4
292.10916	0.8
293.08115	0.9
293.11630	0.6
295.09628	0.8
297.11304	2.4
301.08566	0.5
302.09421	1.4
303.10117	1.6
305.11707	2.0
307.09689	2.2
308.10428	1.2
309.11148	1.3
311.12738	1.5
314.70285	0.5
317.11728	1.4
319.13223	0.6
321.11368	2.7
321.14679	0.7
322.12152	0.9
323.12830	1.4
325.10699	0.9
329.13940	1.5
333.11246	1.7
334.11896	0.9
335.12738	2.3
336.13425	1.1
337.14316	0.6
339.12140	1.1
341.13693	2.2
346.11945	0.8
349.14453	2.9
351.12265	2.1
353.13849	1.9
354.14551	3.3
355.15341	1.0
361.14508	0.8
365.13690	0.6
367.15375	13.1
368.16061	0.8
379.15326	5.8
385.16568	0.7
397.16440	100.0
398.16766	5.9
415.17331	1.0
455.65875	0.5
456.61902	0.5
479.20566	1.7
491.19897	0.9
503.20618	0.5
509.21484	0.6
521.21783	0.8
532.93329	0.5
567.04205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03430	0.5
67.05511	0.4
69.03426	1.9
70.06596	0.6
79.05478	1.0
81.03398	1.1
81.07049	0.5
85.02900	2.7
89.70311	0.4
91.05466	3.4
93.07050	0.6
94.04179	2.6
95.04958	1.6
97.02893	1.0
103.05469	4.2
105.07027	3.3
107.04948	1.4
109.06510	0.8
111.04369	0.5
115.05450	1.2
117.06989	0.6
119.04927	3.2
121.06506	1.9
122.03654	5.9
123.04417	0.8
123.08073	0.5
127.03909	0.9
128.06207	0.6
129.06990	1.8
131.04929	8.6
131.08566	1.5
133.02869	1.8
133.06491	7.7
135.04416	1.5
135.08025	2.5
137.05972	100.0
138.06299	1.7
141.06966	0.8
143.04930	0.5
143.08536	0.5
144.05737	0.5
145.04987	0.5
145.06482	2.2
146.03638	0.6
146.06027	0.9
147.04417	3.0
147.08017	0.9
149.05989	2.5
151.03906	0.7
151.07530	11.4
153.05466	2.0
157.06418	1.9
158.07260	0.6
159.04359	0.5
159.08064	1.0
160.05208	1.2
161.05974	9.0
161.09618	0.5
162.06682	0.4
163.07538	19.7
164.07875	0.4
165.06978	0.8
165.09151	0.9
167.07230	0.7
167.08517	0.8
169.06477	0.8
171.08040	1.2
173.05969	0.7
174.06787	1.8
175.07529	8.8
177.05484	1.6
177.06953	0.4
177.09084	1.0
179.07079	1.8
179.08470	0.4
181.06424	0.4
181.08710	0.5
182.07198	0.5
183.06480	0.6
183.07983	0.5
185.05898	0.5
186.23727	0.4
187.07544	4.1
188.08388	0.6
189.09122	5.2
190.09438	0.6
191.07056	1.1
194.07352	0.5
195.08090	1.2
197.06024	0.4
199.07567	0.5
201.09090	2.7
203.06915	0.9
203.10634	3.3
207.08188	0.6
207.10022	0.9
209.09689	0.8
210.06668	0.7
211.07463	0.5
213.09048	1.0
219.10136	6.7
220.10490	0.8
221.05902	0.5
221.09601	0.8
221.11670	0.6
225.09171	1.3
227.10516	2.2
233.09604	1.8
237.09149	1.0
251.10814	0.6
253.08553	1.1
254.09126	0.5
255.10226	1.4
257.11716	1.0
261.09180	1.1
263.10587	0.9
265.08691	0.8
265.12042	0.4
267.10138	1.0
269.11685	1.8
271.36011	0.5
277.08548	0.5
281.11768	0.5
283.13354	1.2
285.11230	1.3
287.12784	4.7
293.11642	1.1
295.13272	6.2
297.11047	1.1
299.12756	2.2
311.12781	2.1
313.14511	0.7
315.05176	0.5
319.13263	0.5
325.14230	2.1
325.56003	0.4
327.15894	17.3
328.16058	0.7
329.13812	1.5
338.28223	0.5
343.15387	0.8
345.16980	2.7
351.15884	8.0
363.15985	0.8
369.12692	0.7
369.16943	6.3
381.17035	2.0
411.18152	0.5
443.18610	0.5
475.21252	4.3
487.20703	0.8
493.22263	5.5
505.21780	0.8
523.00092	0.4
543.55005	0.5
704.14520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27015	0.3
57.02695	0.3
61.60818	0.3
66.94218	0.3
68.16460	0.2
70.06599	0.3
104.10104	0.3
111.04234	0.6
125.02141	0.3
127.03745	0.4
132.23993	0.3
141.05251	0.4
157.04742	0.8
158.05556	0.6
159.04164	20.1
160.04579	0.5
169.04773	0.3
174.29605	0.3
185.04213	2.0
186.05006	0.5
189.05223	7.6
190.06010	0.9
203.12788	0.3
204.06522	0.3
295.65976	0.3
299.05609	0.4
314.04141	0.3
315.05026	1.1
316.05432	1.0
322.10178	4.0
322.13553	0.4
329.06311	0.3
352.11557	0.4
379.13596	0.9
379.29724	0.3
393.15149	0.9
399.13968	1.3
409.15045	0.5
414.16336	2.0
415.17209	12.6
416.17825	1.0
443.16046	0.3
478.10797	0.4
545.19928	0.4
547.21582	0.4
561.19550	2.0
575.20966	0.4
576.21838	1.3
577.22498	18.4
578.22955	1.8
739.27740	100.0
740.28015	8.8
740.37921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66558	1.0
67.18992	1.0
67.51086	0.9
71.45841	0.9
73.06675	0.8
78.28031	1.1
81.07065	1.1
83.04964	1.0
151.07518	9.9
167.06961	2.0
167.31773	0.9
189.05219	36.0
195.06306	13.2
227.10323	1.7
287.12570	14.0
365.68906	1.0
369.60645	1.0
472.45294	1.0
497.17981	4.1
512.20630	4.2
623.35046	1.1
645.81140	1.1
647.46539	1.0
739.29144	100.0
740.29431	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01863	2.7
55.05507	14.0
57.03434	8.0
57.07068	1.4
61.02911	1.7
65.01984	0.7
65.03922	2.2
67.03640	0.7
67.05501	40.2
67.05866	1.9
69.03440	1.1
69.07062	11.7
69.91425	2.2
71.04974	2.6
73.02924	1.0
79.05489	33.8
79.05945	1.9
81.03368	1.0
81.07053	40.6
83.04979	2.7
83.08616	8.9
83.12126	0.8
85.02906	1.3
85.06532	1.2
91.05470	13.7
93.07040	46.4
95.04954	7.6
95.08601	47.5
97.02871	3.3
97.06535	4.2
97.10140	1.2
98.02055	0.7
98.22875	1.9
98.23421	0.8
99.04435	3.2
103.78019	0.8
105.04542	1.2
105.07029	11.5
107.04948	6.5
107.08587	34.4
109.06527	1.8
109.10146	10.5
111.04475	1.4
111.08088	2.0
113.05989	0.8
117.06422	0.8
117.07028	8.3
119.08567	14.0
121.06495	5.9
121.10139	17.6
123.08006	0.7
123.11691	3.3
125.05965	2.7
130.07803	2.3
131.08556	4.8
133.10121	5.6
135.08055	2.2
135.11687	47.6
137.13206	1.0
139.07512	1.9
145.10115	27.7
147.11649	3.1
149.13235	4.2
153.12671	1.0
155.08551	0.9
159.11665	2.3
161.13269	2.0
161.65671	0.7
163.11174	60.3
164.11566	1.3
173.09581	0.9
173.13231	1.6
181.12225	10.2
187.14734	1.5
209.11685	1.2
227.12759	76.5
228.13203	1.3
243.21083	2.6
261.22180	7.7
283.15381	100.0
284.15723	3.4
306.27780	2.6
317.24722	2.2
335.25778	89.0
336.26102	2.9
516.15857	0.9
543.36780	83.3
544.37195	4.3
561.36914	1.1
621.26715	1.9
717.47913	1.0
740.48474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01834	2.0
55.05510	10.7
57.03437	7.8
57.07044	1.0
61.02896	1.0
65.03900	1.5
67.05502	33.7
69.03391	1.4
69.07067	10.4
69.89455	1.0
69.89787	0.6
71.04951	2.0
71.08603	0.5
73.02887	1.2
76.40018	0.4
79.05490	29.2
80.05757	0.4
81.03374	1.2
81.07051	36.3
82.63661	0.5
83.04969	2.2
83.08616	7.7
85.02859	0.8
85.06512	1.0
91.05477	13.2
93.07041	40.6
94.07317	0.7
95.04973	5.6
95.08601	41.9
96.08913	0.6
97.02876	2.8
97.06519	3.2
97.10134	1.3
99.04463	2.7
105.04458	1.2
105.06361	0.6
105.07024	8.5
107.04938	4.9
107.08587	26.9
109.06473	1.5
109.10153	10.6
111.04427	0.6
111.08041	1.6
113.05927	0.5
113.09638	0.5
117.06306	0.6
117.07016	6.3
119.08580	10.2
121.06539	3.5
121.10136	15.8
123.08047	0.6
123.11653	2.2
125.05935	1.6
129.07076	0.6
130.07698	1.2
130.39574	0.4
131.08557	4.6
133.10139	5.1
135.08067	1.0
135.11684	34.7
136.12016	0.6
137.09593	0.6
137.13211	0.6
137.25151	0.4
139.07468	1.2
143.08551	0.9
145.06476	0.5
145.10110	19.5
147.11638	2.0
149.09587	0.6
149.13197	2.3
153.12669	0.5
155.08473	0.6
159.11642	1.8
161.13327	2.1
163.11171	41.8
163.14828	1.2
164.11713	0.4
171.09212	0.4
173.09470	0.6
173.13234	1.3
175.14778	0.9
181.12218	6.0
187.14873	0.9
209.11670	1.1
227.12759	47.6
228.13040	1.0
243.21091	1.4
261.22137	7.0
283.15381	47.4
284.15717	1.5
306.27997	1.0
317.24741	2.3
324.01517	0.5
335.25778	100.0
336.26025	3.5
442.89102	0.5
543.36786	76.5
544.37140	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2035
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03952	0.2
53.49245	0.1
55.01866	0.3
55.05510	0.2
55.59816	0.1
57.03179	0.2
57.03441	2.1
59.04999	0.3
61.02937	0.9
62.19227	0.1
65.03925	0.3
67.05508	0.2
68.99797	0.3
69.03062	0.3
69.03436	4.8
70.06586	0.4
71.01360	0.3
71.04996	9.2
73.02918	0.9
75.04499	0.6
79.05489	0.2
81.03437	0.6
81.71011	0.1
83.01363	0.1
83.04985	1.7
84.08126	0.2
85.02911	13.6
86.09718	0.3
87.04470	2.3
91.03967	0.7
93.03419	0.3
93.07020	0.1
95.04974	0.5
97.02901	5.1
97.06526	0.2
99.04454	1.0
101.06021	0.1
103.03982	0.2
109.02904	0.6
109.31893	0.1
111.00815	0.6
111.04452	1.3
113.02342	0.2
113.05987	0.3
115.03934	3.9
115.89701	0.1
117.05512	0.3
121.02856	0.8
123.04430	0.4
125.02353	0.2
127.03904	0.8
129.05479	3.1
133.04980	2.7
134.20073	0.1
137.02341	2.5
137.03345	0.1
137.06015	0.2
139.03911	0.3
145.04964	0.7
147.04518	0.1
147.06534	1.5
149.02341	0.5
149.04413	0.1
153.01839	2.7
153.05426	0.3
161.06010	0.2
163.03906	0.7
163.06009	0.2
165.01849	1.7
166.02589	0.2
169.04930	0.2
171.06544	0.7
173.06012	0.3
179.07001	0.1
181.05043	0.2
183.02908	0.8
187.04019	0.2
189.07573	0.2
195.02946	0.2
199.05952	0.2
201.05453	1.2
203.05606	0.2
205.05022	0.2
207.06546	0.4
219.06628	0.3
225.07629	0.7
229.04962	3.6
232.74280	0.2
243.08669	0.7
247.06033	0.7
255.08679	0.2
257.04456	2.5
259.08221	0.2
261.09726	1.2
274.04758	0.5
275.05481	0.2
279.10751	0.2
285.03912	1.3
287.05536	0.5
295.10214	0.2
303.04990	100.0
304.05341	2.5
315.05026	0.5
327.04568	0.1
345.05963	0.6
351.36227	0.1
369.06229	0.2
381.06558	0.2
405.52988	0.1
435.09235	0.2
447.09448	0.1
449.10989	0.2
465.10342	1.4
597.13635	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01860	0.2
55.37100	0.1
55.73358	0.1
57.03433	0.1
61.02922	0.1
67.05501	0.3
69.07060	0.1
77.03925	0.5
79.05499	1.2
81.03413	0.2
81.07050	0.2
81.90438	0.1
85.02911	0.3
87.53394	0.1
90.54145	0.1
91.05470	0.2
93.07030	0.3
95.04969	1.9
95.08602	0.1
97.02911	0.1
97.06518	0.1
102.60843	0.1
105.04510	0.8
105.07021	0.2
107.04957	100.0
108.05291	1.4
119.04888	0.1
119.08532	0.2
121.06494	0.1
121.10136	0.1
127.03915	0.1
131.08571	0.1
133.10133	0.2
137.05980	0.2
145.04994	0.1
145.08620	0.1
145.10049	0.1
177.05479	0.2
178.74255	0.1
181.05043	0.1
191.07173	0.1
209.08185	0.1
213.09125	1.8
213.11076	0.2
214.78185	0.1
229.14070	0.1
269.17578	0.2
272.81848	0.1
275.19931	0.1
297.13309	0.2
309.20691	0.2
325.11319	0.1
349.23752	0.3
360.12137	0.1
363.50131	0.1
367.24805	0.1
385.25790	0.1
459.57373	0.1
569.24640	0.1
581.06970	0.1
587.63184	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.86591	0.4
55.05511	0.9
56.90894	0.4
57.03433	0.9
61.02925	3.5
67.05512	3.2
69.03422	3.0
69.07075	1.0
69.54733	0.9
69.55121	1.1
71.04995	0.8
73.02914	2.4
79.05489	3.2
81.03419	1.4
81.07058	3.5
83.08633	0.8
85.02906	3.0
85.03372	0.5
88.50918	0.5
91.03941	2.5
91.05501	1.2
93.07036	3.5
93.35969	0.5
95.08600	3.9
97.02908	3.4
97.97433	0.5
98.22906	1.6
98.23487	0.6
99.04471	1.1
101.02380	1.1
105.07030	1.7
107.04948	0.6
107.08595	2.4
109.10156	0.8
117.07024	0.5
119.08562	1.0
120.92427	0.5
121.10160	2.1
127.03946	1.3
131.08626	0.5
133.10193	0.9
135.11700	4.1
145.10170	1.9
163.11168	3.6
164.72690	0.6
181.12259	0.5
185.04326	0.5
227.12802	2.7
243.08394	3.3
249.10934	10.4
305.13541	2.3
328.67960	0.5
437.35062	0.5
467.18869	12.8
519.29205	6.1
583.36029	0.9
745.41217	100.0
746.41656	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01867	0.2
55.05511	1.5
57.03443	1.7
61.02930	4.8
65.03942	0.4
67.05510	4.9
69.03435	3.2
69.07070	0.8
69.70811	0.8
70.66652	0.2
71.01362	0.4
71.05000	0.6
73.02921	4.0
73.03297	0.4
73.69265	0.2
79.05495	3.7
79.05948	0.3
81.03439	1.4
81.07062	4.9
83.05010	0.2
83.08633	0.7
85.02910	4.9
91.03964	3.1
91.05474	1.6
93.07051	4.2
95.05000	0.6
95.08611	4.5
97.02894	3.9
97.06530	0.3
97.10180	0.3
98.22745	0.5
99.04483	0.9
101.02376	1.1
103.03988	0.5
105.07033	1.3
107.04944	0.4
107.08605	2.1
109.02901	0.9
109.10190	1.0
115.03961	0.4
117.07041	0.8
119.08625	0.9
121.10142	1.9
123.08148	0.3
123.11745	0.3
127.03954	1.6
127.89214	0.2
131.08615	0.6
131.31401	0.2
133.10156	0.7
135.11681	1.9
145.04936	0.3
145.10144	1.4
149.13335	0.4
163.11211	1.3
181.12294	0.3
185.04240	0.7
201.23100	0.2
203.05362	0.2
227.12822	1.2
243.08372	2.1
249.10988	10.9
250.11363	0.4
297.40347	0.2
305.13693	0.8
335.25690	0.5
467.18958	4.2
519.29364	7.7
745.41302	100.0
746.41595	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17675	0.4
60.92210	0.4
67.75289	0.4
98.23193	3.0
98.76196	0.5
191.14433	0.4
255.08977	0.6
333.20386	9.0
349.19919	1.4
350.20218	2.4
351.21414	100.0
352.21756	3.1
385.19009	0.4
413.29669	0.5
419.11005	71.0
420.11362	4.1
421.11761	0.8
449.11655	0.4
460.13565	1.1
747.33417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05508	0.4
55.06252	0.3
67.05500	0.7
67.67384	0.3
69.07065	67.7
69.33221	0.7
69.33622	1.3
70.07404	0.5
72.09467	0.4
81.07058	0.6
87.08102	11.2
88.08412	0.5
90.05540	0.4
93.07034	0.4
95.08607	1.1
97.06541	1.2
98.06020	0.6
100.03965	5.4
105.09100	0.6
110.09660	0.5
118.06542	1.6
125.04719	0.8
126.05510	26.9
127.05822	0.6
128.10718	1.2
130.06520	23.3
132.08086	14.8
142.06531	0.9
144.08092	5.2
156.08118	0.5
156.10190	0.8
158.08398	1.7
160.07593	0.9
168.10202	9.3
169.10968	1.3
170.05984	1.8
173.10739	100.0
173.15358	14.4
174.11127	2.1
183.09190	2.5
184.07362	1.2
186.11240	13.9
199.08693	0.6
201.10214	13.7
212.14326	0.7
229.14374	3.0
241.17039	0.9
267.24887	0.4
269.16449	1.0
297.15948	4.4
300.18036	87.0
301.18472	2.8
312.17868	0.7
315.16983	9.9
316.22745	1.8
334.23785	0.7
337.73199	0.4
396.18774	0.5
401.24402	5.4
414.20401	1.7
429.23834	72.1
430.23932	3.7
651.85938	0.4
669.56506	0.5
748.43030	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38521	0.7
55.05513	1.4
57.03432	2.4
61.02925	3.7
67.05499	5.2
68.56839	0.7
69.03426	2.9
71.04996	2.3
73.02925	3.8
78.38156	0.9
79.05498	2.2
81.03414	1.3
81.07050	4.6
85.02899	4.3
87.04495	1.1
91.03960	2.9
91.05490	2.4
93.07056	4.2
95.08638	3.5
97.02880	4.3
105.07020	1.2
107.08625	1.7
109.10181	3.2
111.14431	1.0
119.08578	1.2
121.10169	1.6
127.03909	2.2
135.11725	1.2
177.15408	1.0
243.08508	2.1
253.14236	2.2
316.22714	1.0
335.26318	1.2
471.22116	4.9
519.29114	6.5
624.58539	1.0
749.44354	100.0
750.44476	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46143	0.7
78.07967	0.7
84.20982	0.6
91.05489	0.8
94.06569	1.1
98.00288	0.7
112.67285	0.6
118.06506	1.5
120.08101	6.4
129.20853	0.8
138.34894	0.7
160.07500	0.8
171.09198	0.9
187.08585	0.7
195.09297	0.9
197.10789	0.8
211.12215	1.1
221.10718	0.9
222.75879	0.7
225.14020	1.0
235.12404	1.0
237.10324	1.0
239.11841	1.3
247.12421	1.2
249.10405	1.2
251.11838	0.9
264.11423	0.9
280.14780	0.8
300.11606	0.8
315.13608	0.8
316.14844	0.8
326.12952	1.2
335.13791	0.8
391.19534	0.9
401.17883	1.3
415.19470	1.3
427.19586	1.1
443.18045	1.0
444.19333	1.3
447.18335	0.7
461.20346	0.9
463.21652	1.0
470.18430	0.7
472.18707	1.6
473.19830	1.0
484.21078	1.4
485.19839	0.9
489.23157	1.1
497.21176	1.2
499.21552	1.4
500.21619	0.8
513.21857	3.0
519.24200	0.8
530.21991	1.2
531.23730	1.6
532.27356	0.9
545.24548	0.8
549.24811	1.0
559.23438	2.8
572.27191	1.0
573.24207	1.0
585.24506	1.0
587.22986	1.8
590.28113	2.3
599.25769	0.8
600.28577	0.8
618.30188	0.9
619.25177	1.1
628.29462	4.3
633.28009	0.8
635.24658	2.2
637.26233	5.5
656.28748	5.9
659.27618	2.1
674.09283	0.7
677.28265	3.6
678.32861	9.1
688.31213	36.2
689.31531	2.4
706.32269	100.0
707.32721	7.7
750.31232	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01876	1.6
57.03436	1.5
61.02924	2.4
69.03424	12.5
69.30915	3.2
71.05006	1.3
73.02908	1.1
81.03410	15.2
81.07069	0.8
85.02899	18.1
90.73607	0.6
91.05508	1.0
93.07066	1.0
95.08582	0.8
97.02883	8.3
99.04439	3.0
103.03931	1.3
103.05447	2.9
105.07099	0.7
105.40619	0.5
109.02876	19.3
115.03932	0.9
115.05447	11.9
117.07011	31.5
118.07388	0.7
125.02362	2.0
127.03902	15.2
128.06215	8.1
129.06998	63.6
130.07347	1.3
131.04926	8.5
133.04938	1.8
133.06500	1.1
135.04398	6.3
137.06042	1.2
142.04094	0.6
143.04913	14.2
143.06030	1.0
145.04971	3.3
145.06490	17.0
147.04355	0.9
149.06036	0.6
155.04900	1.6
155.06070	2.7
157.06477	29.1
159.04401	12.7
161.05968	7.8
163.07581	0.7
169.04947	2.7
171.04367	17.7
173.05974	21.9
175.03929	1.0
175.07559	1.3
177.05453	0.6
185.04372	0.8
185.05960	11.0
187.03917	6.0
187.05992	8.4
187.07555	1.5
189.05501	3.7
199.03886	16.7
201.05457	54.7
202.05899	1.1
203.03404	2.2
203.18045	0.7
205.07065	6.8
207.06558	1.0
217.04939	8.7
219.06505	2.3
221.06566	0.8
229.03098	0.5
229.04944	27.5
231.06506	98.5
232.06821	1.4
247.05998	100.0
248.06323	1.9
262.32343	0.6
315.89206	0.5
369.09589	3.1
370.89981	0.6
411.10440	0.8
451.12274	6.6
631.11768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01872	6.7
55.05514	7.6
57.03435	4.0
61.02921	4.1
65.03941	2.5
67.05507	22.3
68.99785	2.8
69.03432	29.0
69.07069	7.0
69.14009	3.5
71.01353	0.8
71.04999	4.5
73.02925	5.8
74.05421	0.6
77.03934	1.8
79.05497	17.3
81.03419	28.6
81.07059	51.1
83.01324	0.9
83.04984	1.4
83.08609	1.6
85.02907	58.6
87.00830	25.4
87.04435	1.3
91.03942	2.1
91.05476	22.7
91.06056	1.1
93.07048	45.8
95.04972	5.1
95.08610	61.6
97.02893	26.6
97.06516	0.8
97.10163	1.5
99.04466	11.6
101.02397	0.7
103.03938	0.7
103.05466	1.3
105.01869	25.9
105.04513	2.1
105.07032	53.8
106.07323	0.7
107.08596	66.5
108.04482	1.0
108.08906	0.9
109.02885	31.0
109.06511	2.8
109.10160	45.1
111.04414	0.8
111.11701	1.1
115.03938	1.6
115.05396	0.8
117.01846	3.1
117.07021	1.4
119.06085	1.5
119.08585	36.7
120.08920	0.7
121.06515	1.0
121.10148	18.9
122.07257	0.7
123.11710	9.8
125.09512	0.7
127.03919	53.8
129.01834	3.0
131.08585	1.8
133.10133	24.2
135.11694	18.8
137.05994	2.0
143.03487	0.6
143.08536	0.7
145.04964	18.8
145.10088	3.2
147.02885	2.4
147.11691	44.7
148.11983	1.4
149.09595	0.7
149.13252	2.4
151.11157	1.0
157.10150	1.3
159.02893	16.8
159.11700	3.1
161.13268	14.1
163.14815	6.7
169.05035	0.9
173.13269	1.2
175.14832	7.6
177.03923	1.0
177.12834	0.6
183.02921	1.1
183.11581	0.8
183.38313	0.7
189.03920	1.9
189.16402	1.3
201.16389	2.1
203.17957	100.0
204.18300	2.4
205.19502	1.1
213.03955	5.7
215.17940	1.1
221.19025	4.3
231.04985	17.5
235.05971	0.7
245.18884	0.9
249.06001	5.9
273.06100	3.1
284.09821	1.2
292.96826	0.6
311.20050	1.2
329.21210	0.8
339.07059	1.0
339.85626	0.6
357.08228	1.5
433.21625	0.7
451.23666	0.9
461.09213	2.3
479.10349	0.9
484.79190	0.7
486.27032	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
67.05506	0.7
69.07072	3.4
72.08150	0.6
81.07079	0.5
90.05560	0.6
97.06539	3.3
99.05545	0.4
103.05450	0.4
113.10784	0.8
122.02178	0.5
126.05525	1.7
130.06535	18.8
132.08122	1.8
140.06877	1.1
140.10762	1.0
141.10252	1.7
144.08084	2.1
155.06802	0.9
156.10187	0.8
166.04845	0.7
168.08801	0.9
168.10216	19.0
173.10765	13.6
186.11327	0.9
186.21979	0.4
187.10866	0.5
195.07213	0.6
195.08952	11.4
195.10658	0.8
196.22743	0.5
199.08670	0.8
201.10280	0.9
208.09558	1.0
209.08929	0.4
269.13696	9.9
269.16641	2.0
270.13983	0.5
275.15240	0.7
277.09500	0.5
277.31033	0.4
279.16931	0.7
291.14807	1.1
294.18628	0.4
297.15991	5.4
300.18002	2.6
307.16360	0.7
319.14191	19.3
320.14432	0.7
325.17474	1.2
335.15811	1.8
337.15192	3.0
340.16501	0.9
380.18082	0.5
400.20297	0.5
408.22775	0.8
436.22189	4.4
448.20609	0.9
454.23401	0.8
469.23221	1.9
508.26538	0.7
525.26825	2.5
535.25177	0.6
568.29736	2.3
579.27612	0.7
607.97705	0.5
621.32715	8.4
639.33911	2.3
753.40442	100.0
754.40735	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01854	0.3
57.03436	2.8
59.04993	0.5
69.03428	10.5
70.06597	0.2
71.04971	0.2
73.02878	0.3
75.04464	0.4
81.03412	0.6
81.07050	0.3
82.08539	0.1
84.14956	0.2
85.02903	7.0
87.04467	5.5
87.04997	0.3
91.05513	0.2
93.07031	0.2
97.02889	7.4
99.04462	0.2
105.07076	0.2
107.04969	0.1
109.02880	0.6
115.03117	0.2
115.03931	4.8
115.05422	0.2
117.06966	0.3
124.03978	0.4
127.03909	0.8
129.06987	0.5
130.07315	0.2
133.04959	3.8
135.04355	0.1
143.04930	0.3
145.04951	0.3
145.06509	0.2
145.10201	0.2
149.02342	0.2
157.06497	0.2
163.19185	0.1
165.05542	0.2
165.06923	0.2
173.06021	0.2
178.07800	0.3
189.06918	0.4
191.08638	0.2
201.05453	0.4
202.05789	0.2
205.06445	1.1
206.07249	1.3
207.08044	0.4
208.08716	0.2
215.10596	0.2
216.05728	0.3
217.06459	0.2
218.07254	0.4
219.08069	0.6
220.05280	0.3
220.08878	0.3
221.06030	0.3
222.06775	0.2
230.05287	0.2
231.06497	0.7
232.06990	0.4
233.05838	1.5
234.06721	4.1
235.07524	1.5
236.08267	0.6
237.08919	0.2
244.05244	0.3
245.05826	0.3
246.06812	0.4
247.07919	1.0
248.06395	0.1
248.08366	1.4
249.05786	0.4
249.09103	2.4
250.06805	0.2
251.07182	0.5
251.10622	0.9
253.08607	0.3
261.05573	0.8
262.06241	2.1
263.07025	2.5
264.07782	1.2
265.08521	0.9
266.09341	0.4
267.10202	0.4
272.04459	0.2
274.06204	0.4
275.07047	0.8
276.07770	1.3
277.05435	0.5
277.08572	11.6
278.06049	0.3
278.09265	1.2
279.06747	0.4
279.10114	2.4
280.07285	0.2
289.05045	0.4
290.05792	0.9
291.06506	3.1
292.07208	1.1
293.08051	0.6
294.08813	0.7
295.09671	0.8
302.05734	0.4
303.06552	0.3
304.07272	0.6
305.08054	12.9
306.05328	0.2
306.08582	1.0
307.06244	0.3
307.09641	2.7
309.11194	2.2
318.05301	0.2
319.05960	3.7
320.06638	0.8
321.07471	0.5
323.09155	2.2
325.10818	0.4
333.07547	15.2
334.07825	0.5
335.05664	0.2
335.09094	3.8
336.06311	0.3
337.10687	6.2
338.11188	0.2
349.06952	0.5
351.08603	10.2
352.09033	0.4
353.10364	0.2
363.08606	11.6
364.08871	0.4
374.10284	0.3
381.09656	100.0
382.05350	0.3
382.09970	3.5
513.13794	0.6
755.26825	0.7
755.40564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01873	4.0
55.05493	1.4
57.03419	2.0
58.24670	0.5
58.36697	0.5
60.04507	0.7
61.02913	2.1
63.28987	0.6
67.05502	1.9
68.99782	1.8
69.03428	13.6
71.01312	0.6
71.04990	1.8
71.50679	0.7
73.02912	3.1
78.04687	0.7
79.05481	4.0
81.02955	1.3
81.03411	17.0
81.07081	1.3
83.05009	0.6
83.08598	0.7
85.02903	24.4
85.03413	1.3
87.00829	13.1
91.03924	0.9
91.05457	4.1
93.07047	0.8
95.04957	2.2
95.08611	1.1
97.02889	12.2
99.04451	5.0
103.05460	4.9
105.01868	7.3
105.07016	2.9
106.04163	1.0
107.04957	11.5
107.08589	0.7
108.04485	3.7
108.05727	2.0
109.02882	15.1
109.06503	1.8
109.53962	0.6
111.04443	1.2
115.03918	0.5
115.05474	1.7
117.01836	2.4
117.07026	1.6
119.08562	1.2
120.05824	0.7
121.06505	3.4
122.03644	1.1
123.04421	2.4
123.08069	2.3
124.05206	1.7
125.05964	0.7
126.05495	1.7
127.03912	18.9
129.01831	1.5
129.06987	1.0
131.04939	9.9
131.08583	1.3
133.06464	1.0
135.04410	1.6
135.08026	1.4
136.05199	4.7
137.05977	6.6
141.06976	1.3
143.04907	1.7
143.08566	1.3
144.05690	1.0
145.04964	4.6
145.06421	3.0
145.10150	1.4
146.07269	4.9
147.08014	1.1
149.05992	2.0
150.06784	5.4
151.07538	100.0
152.04643	1.2
152.07857	2.2
157.06435	1.1
158.07249	3.2
159.02907	5.0
159.04129	0.9
159.08020	1.9
160.08855	0.8
161.05971	1.8
162.06758	0.8
163.06406	0.5
163.07539	22.9
165.09105	20.5
167.07036	63.6
168.07399	1.2
169.06488	0.7
170.07248	0.7
171.08064	1.3
172.08855	1.3
173.06000	1.5
173.09607	2.3
174.06773	3.1
175.07533	3.4
176.08344	1.0
177.05479	1.8
177.09106	29.5
178.09532	0.7
179.10652	0.9
181.08594	2.6
186.06793	1.2
186.10394	1.3
187.07509	5.4
188.08339	3.6
189.09105	10.8
191.10681	1.4
193.08557	3.3
201.09105	14.6
202.09955	2.9
203.10629	5.7
207.10173	1.8
213.03920	1.0
215.10648	1.6
217.12231	12.0
219.10187	3.8
230.06525	0.8
231.04971	3.7
233.11723	14.6
235.77820	0.6
247.11137	0.8
248.07637	3.1
248.11940	0.9
266.08807	1.7
276.11331	1.3
279.13782	1.6
289.12350	0.9
292.10950	0.9
307.13257	6.4
308.13907	3.4
309.11496	0.9
324.13373	1.0
338.66351	0.6
339.15903	43.9
340.16193	1.8
356.16116	2.3
367.15256	0.7
371.18521	90.6
372.18848	3.8
389.19504	4.7
395.18491	1.4
413.19525	2.8
431.20709	5.5
432.20612	0.9
459.27325	1.3
477.28314	0.8
479.20667	1.1
491.22867	1.7
564.13367	0.7
576.31708	1.4
581.23761	2.0
594.32233	2.9
599.24768	0.8
716.51703	0.8
755.55017	0.8
756.38599	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01876	2.2
55.05511	2.8
57.03436	4.5
57.07063	1.0
59.04972	0.6
61.02926	7.7
65.03944	0.7
67.05502	6.9
69.03427	17.0
69.07070	1.7
71.04981	2.3
73.02907	3.2
79.05487	5.4
81.03423	7.1
81.07055	36.0
83.01334	0.5
83.04979	0.8
83.08614	1.2
85.02903	100.0
85.06509	0.7
86.03234	0.7
87.04472	2.7
91.03952	4.9
91.05466	5.1
93.07047	10.7
93.07607	0.8
95.04963	1.9
95.08605	17.2
96.08934	0.6
97.02889	28.4
97.06530	1.4
97.10168	1.8
99.04456	4.7
101.02423	0.5
103.03963	0.9
105.07027	14.0
105.07735	0.7
107.08591	14.0
109.02872	7.8
109.06535	1.2
109.10144	6.7
111.08109	1.4
113.06011	0.9
115.03927	1.0
119.04961	1.3
119.08578	18.5
121.06525	0.9
121.10148	8.5
123.04468	0.6
123.08085	1.6
123.11707	13.6
125.09608	1.0
127.03912	26.7
131.08588	1.5
133.10127	12.6
135.08061	1.8
135.11694	10.4
135.12645	0.8
136.12485	0.7
137.06007	0.6
137.09633	0.5
139.07552	1.2
143.08548	1.3
144.06578	0.4
145.04956	52.3
145.10118	1.9
147.04407	1.0
147.08047	1.2
147.11694	6.5
149.13318	0.9
153.09067	2.8
155.10716	0.4
157.10124	1.6
159.11700	3.7
161.09641	2.1
161.13254	23.9
162.07619	0.5
162.13582	0.6
163.06015	26.7
164.06380	0.5
165.09081	0.9
171.11842	0.6
173.13280	0.7
175.03867	2.2
175.11165	1.1
179.07130	0.4
179.10629	0.8
189.16379	43.8
190.16731	1.3
199.11322	0.5
199.14793	1.6
207.06538	5.9
211.11122	0.4
213.16394	0.5
217.10791	1.5
217.15858	10.5
235.16922	50.9
236.17311	1.7
247.17003	0.7
271.08279	1.1
289.09158	3.1
301.18170	0.7
325.11255	14.6
325.17972	1.6
343.19116	2.4
361.19980	2.9
379.21115	3.8
381.77646	0.4
397.22504	0.9
416.04669	0.5
507.91711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27396	0.5
55.18331	0.5
56.70400	0.4
57.03439	1.0
57.13557	0.5
67.05501	0.8
69.03429	4.3
69.58708	0.5
69.80181	1.5
69.80521	0.8
70.03779	0.6
79.05478	0.9
81.03430	0.9
81.07027	0.7
85.02892	2.7
86.09715	0.5
87.04473	2.0
97.02876	2.4
107.08656	0.5
115.03922	1.3
127.03937	0.7
129.07031	0.5
133.04988	1.5
133.10129	0.7
156.14824	0.5
173.09560	0.7
203.33614	0.5
206.07056	0.9
207.06537	0.6
233.11917	0.6
234.06837	1.5
235.07222	0.7
262.06235	0.9
263.07007	1.0
276.07813	0.6
277.08627	2.4
278.09027	1.5
279.09851	1.1
283.15646	0.6
291.06451	1.0
305.08066	3.3
306.08463	1.9
307.08786	1.3
319.06091	0.6
320.06390	0.6
323.09277	0.7
333.07526	3.7
334.07938	1.1
335.08560	1.6
337.10614	2.0
338.11435	0.7
351.08566	1.5
352.08957	0.8
363.08438	2.8
364.08997	0.7
365.09296	0.7
379.08221	0.9
381.09644	21.2
382.10031	9.2
383.10236	10.3
509.16946	0.6
567.06311	0.6
589.63098	0.5
726.95587	0.7
757.19379	100.0
758.19775	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2185
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
52.77100	0.2
55.05512	0.5
57.03434	2.7
59.04996	0.3
61.02918	0.8
65.03928	0.2
67.05521	0.2
69.03062	0.3
69.03428	4.8
70.52863	0.3
71.01344	0.4
71.04992	9.1
71.90697	0.2
73.02920	0.9
75.04472	0.4
77.24697	0.2
79.05497	0.2
79.62811	0.2
81.03407	0.6
83.04973	1.6
85.02905	14.8
87.04464	2.1
87.69769	0.2
89.98862	0.2
91.03961	0.6
92.02620	0.4
93.03381	0.4
95.04972	0.4
97.02895	5.5
99.04453	0.9
104.75639	0.2
109.02853	0.4
111.00832	0.3
111.04463	1.2
115.03928	4.1
117.05476	0.3
121.02897	0.8
123.04489	0.3
126.03153	0.2
127.03905	0.8
129.05476	3.6
133.04968	2.8
139.03900	0.9
145.04929	0.6
147.06471	1.4
151.03908	1.0
153.01816	4.3
165.01770	0.5
171.06535	0.5
177.05321	0.3
183.43770	0.2
199.05956	0.3
201.05467	0.2
203.03447	0.2
207.06479	0.5
217.04994	0.3
218.05653	0.4
225.07655	1.0
225.30824	0.2
228.04158	0.5
229.04985	1.9
231.02827	0.3
243.06410	0.3
243.08682	0.9
245.04428	0.5
246.05287	1.0
255.08281	0.2
257.04401	1.8
261.09689	1.3
273.03958	0.9
274.04718	3.3
279.10803	0.3
284.03082	0.3
285.03882	2.8
302.04196	9.4
303.04688	0.4
317.06537	100.0
318.06894	4.1
329.06677	0.3
359.07593	0.7
383.07761	0.2
460.10089	0.2
479.11578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04475	2.0
81.07076	0.7
98.23502	1.3
176.30397	0.5
187.05428	0.6
189.06999	10.6
191.08577	0.8
205.06514	2.3
217.06482	9.0
218.07277	0.9
219.08032	2.0
233.05984	4.4
234.06819	0.8
235.07652	3.1
245.05968	4.9
246.06693	4.1
247.07544	29.0
248.08241	4.6
249.05545	1.3
249.09079	1.2
253.14345	0.6
259.07584	1.2
259.47485	0.5
260.08380	4.8
261.05499	4.2
261.08994	1.1
262.06262	2.0
262.09872	4.0
263.07068	5.5
263.10608	1.3
265.04672	0.7
273.05423	7.1
274.06329	5.0
275.07019	27.5
276.07745	6.0
277.05539	1.0
277.08496	3.1
278.09409	5.4
287.07224	0.9
288.07846	3.4
289.04984	3.6
289.08621	6.7
290.09189	2.7
291.06564	5.6
291.10110	1.9
292.07129	1.2
293.08109	1.6
293.11658	9.8
301.04877	3.0
303.06467	7.0
304.07306	23.2
305.04727	0.7
305.08047	16.1
306.05457	1.2
306.08701	5.8
307.05981	1.0
316.07394	1.4
317.04529	3.8
317.07922	1.0
318.08798	2.6
319.06009	20.2
319.09677	55.8
320.06607	1.2
320.10318	10.9
321.07550	1.8
321.11124	8.7
331.06018	5.0
332.06812	18.4
333.07458	0.9
334.08456	2.3
335.05453	4.6
335.09210	8.4
336.09918	20.5
337.10474	1.0
346.08249	0.9
347.09152	32.9
348.09576	1.8
349.07089	40.1
350.07715	6.1
350.11597	3.9
351.08746	1.3
351.12302	18.3
352.12552	0.9
362.07852	2.7
363.08606	8.3
364.09335	1.0
365.10208	22.2
366.10532	1.0
377.10281	8.7
378.10507	0.8
380.08865	1.6
395.11267	100.0
396.11655	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
69.03426	2.4
70.63668	1.0
71.05009	0.7
79.05495	3.5
81.03414	10.2
85.02914	7.2
86.09673	1.6
91.05476	1.9
95.04984	2.5
97.02898	2.6
97.60761	0.7
103.51939	0.8
105.07067	1.6
107.04946	7.9
115.05463	5.0
117.07008	13.3
117.93083	0.8
118.87190	0.8
123.04417	2.5
124.05224	1.7
127.03918	1.4
129.06990	2.0
131.04974	1.2
131.08588	2.2
133.06500	1.3
137.06049	0.9
144.05711	2.6
145.05223	1.1
145.06476	34.3
147.04431	1.5
153.05515	1.7
155.06006	4.6
156.05672	5.3
157.06476	2.8
159.08047	4.7
160.05272	0.9
161.05991	3.0
162.07654	1.2
167.05931	0.8
167.07031	40.0
173.05983	63.6
174.06491	1.0
175.07550	1.9
177.05484	1.2
180.08669	2.5
181.39833	0.9
184.05196	1.9
187.07510	5.2
190.06241	33.5
191.07039	2.3
193.08568	2.1
202.06221	4.3
203.07059	7.6
205.08588	100.0
206.08936	1.6
207.06514	2.9
215.07024	1.2
217.08588	42.8
218.08920	0.9
219.08167	1.0
219.10159	2.7
223.09724	2.5
235.09628	34.4
236.10159	0.9
237.11336	0.9
247.07483	1.8
247.09712	6.5
248.08290	1.3
259.07440	1.3
263.10556	1.1
265.10703	62.3
266.11139	1.1
271.09781	1.0
275.07092	1.4
276.07733	0.9
277.08755	0.9
279.10159	0.9
291.10001	2.5
293.08124	1.5
307.09482	1.0
315.08691	3.1
317.29770	0.9
323.12717	1.9
330.11020	7.0
331.11691	3.5
339.12354	1.1
351.12354	4.2
356.12509	1.1
368.12442	1.7
369.12689	1.1
371.14767	2.8
383.14804	11.6
401.15979	21.0
439.16119	0.8
578.28986	0.9
632.59656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01870	1.9
55.05509	0.4
57.03433	1.6
59.04987	0.2
61.02929	1.0
63.53108	0.1
67.05495	0.4
68.82593	0.1
68.99781	0.6
69.03429	10.5
69.24388	0.4
69.24789	0.6
71.01350	0.6
71.04982	0.7
73.02920	1.3
75.04523	0.2
79.05479	0.7
81.03418	7.1
82.03741	0.2
83.01331	1.0
83.04980	0.8
85.02905	12.0
86.09707	0.2
87.00827	4.8
87.04469	1.2
91.03963	0.2
91.05473	0.6
93.07030	0.4
95.04957	0.9
97.02892	15.0
97.06566	0.2
99.04449	2.9
101.02386	0.2
103.03950	0.6
103.05450	0.4
105.01865	3.0
107.04950	0.4
109.02876	5.5
109.10156	0.3
110.88470	0.2
111.04455	1.0
115.03934	2.2
117.01852	0.7
117.05461	0.5
119.04875	0.2
121.06506	0.5
123.04433	0.9
125.02328	1.1
127.03918	7.4
129.01819	0.8
131.04921	0.2
133.04980	1.0
135.04414	0.6
137.02333	0.5
137.06010	0.4
139.03896	2.4
145.04962	4.0
147.02879	0.4
149.02347	0.2
149.05972	0.6
151.03894	0.6
153.05446	0.2
157.32704	0.2
159.02904	2.8
159.04204	0.3
161.04454	0.2
163.03923	0.4
165.01857	0.9
165.05478	0.5
167.07043	0.3
169.04909	0.2
176.06206	0.2
177.05516	1.1
181.04984	0.4
183.02849	0.5
187.05840	0.2
189.03940	0.8
189.06973	0.4
191.08662	0.2
195.06490	0.3
201.03944	0.4
205.04926	0.7
205.06560	0.5
206.07254	1.1
207.08136	0.3
213.03944	0.6
218.07259	0.2
219.04742	0.3
219.08023	0.5
219.10048	0.3
221.06161	0.2
223.06038	0.6
231.04997	1.5
233.05995	1.5
234.06747	3.1
235.07483	1.1
236.08292	0.6
241.07042	1.0
246.06808	0.3
247.04712	0.2
247.07600	1.1
248.08232	1.1
249.05501	0.3
249.09076	1.8
250.10023	0.2
251.07018	0.5
251.10564	0.8
255.04916	0.5
261.05582	0.6
262.06238	2.0
263.07053	2.0
264.07816	0.9
264.37900	0.2
265.08652	0.6
266.09506	0.3
267.10114	0.4
273.06042	0.5
274.06281	0.6
275.07043	0.5
276.07864	0.9
277.05450	0.4
277.08582	9.6
278.06287	0.2
278.09064	0.9
279.06796	0.4
279.10184	2.2
280.07397	0.3
289.05078	0.3
290.05676	0.8
291.03506	0.2
291.06567	2.7
292.07297	0.8
293.08087	0.4
294.08777	0.8
295.09637	0.5
303.06409	0.2
304.07220	0.3
305.08066	10.8
306.05402	0.3
306.08560	0.8
307.06155	0.2
307.09607	2.2
309.06046	0.5
309.11267	1.4
319.06042	2.6
319.09534	0.3
320.06775	0.6
321.07687	0.6
323.09076	1.9
325.10663	0.5
327.07053	1.3
332.06772	0.2
333.07559	13.6
334.07870	0.5
335.05423	0.3
335.09131	3.3
336.06137	0.2
336.09824	0.2
337.10690	5.6
345.08179	1.6
349.07010	0.4
351.08618	8.6
352.09094	0.3
363.08636	10.3
364.08972	0.3
365.06577	0.8
366.06998	0.2
381.09665	100.0
382.09976	5.0
513.13910	0.5
519.72168	0.2
761.30176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01870	2.0
55.05505	0.6
57.03436	8.0
58.38422	0.1
58.64607	0.1
59.05005	0.2
61.02921	3.1
65.03924	0.3
67.05503	0.6
67.64531	0.1
68.99788	2.1
69.03426	14.3
69.07076	0.1
69.79705	0.3
69.80096	0.3
70.06597	0.2
71.01347	1.8
71.04995	0.8
73.02913	12.5
75.04482	0.3
79.05489	0.5
81.03414	9.5
81.07061	0.2
83.01332	0.4
83.04980	2.6
85.02901	21.2
86.03205	0.2
87.00826	6.9
87.04470	0.6
91.03971	0.2
91.05463	0.4
95.04967	0.9
97.02889	14.6
99.04453	3.2
101.02367	0.4
103.03931	3.5
103.05407	0.2
105.01861	3.9
105.07012	0.2
107.04948	0.5
109.02869	10.0
110.03676	0.4
111.04446	2.8
113.02380	0.4
115.03931	3.7
115.05535	0.1
117.01840	0.6
121.02889	0.3
121.06505	0.3
123.04447	1.1
123.05218	0.2
125.02344	1.7
125.06081	0.1
127.03909	14.0
128.04286	0.2
129.01833	2.4
129.05446	1.4
131.04893	0.3
131.08603	0.2
133.04958	0.3
133.10161	0.2
135.04408	0.7
137.02342	0.2
137.06000	0.4
138.16484	0.1
139.03896	1.1
140.30840	0.1
145.04961	2.9
147.02882	2.2
147.04143	0.3
147.06505	0.6
149.02377	0.2
149.05952	0.5
151.03911	1.4
153.01770	0.2
153.05466	0.4
157.04964	0.4
159.02895	2.1
163.03918	0.4
165.05518	0.8
165.06726	0.2
169.04962	1.2
171.02895	1.0
175.03841	0.4
176.06267	0.2
177.04013	0.2
177.05487	0.5
178.07715	0.4
181.04935	1.8
181.06406	0.2
187.06047	0.5
189.03932	6.2
189.06750	0.3
191.08546	0.2
193.04932	1.0
195.06541	0.3
195.18619	0.2
199.05954	1.3
205.04951	0.6
205.06482	0.7
206.07260	1.2
207.08067	0.3
211.05998	0.7
213.03900	1.1
215.05478	0.9
216.05675	0.2
217.07022	1.0
218.07152	0.3
219.08035	0.5
220.08797	0.2
221.06036	0.3
223.06012	1.9
231.04965	3.5
232.05147	0.3
233.06091	1.7
234.06763	2.8
235.07469	1.3
236.08272	0.6
239.10576	0.2
241.07057	1.9
244.05125	0.3
246.06755	0.5
247.07512	0.9
248.08328	1.1
249.05922	0.9
249.09113	1.7
250.09453	0.3
251.06940	0.3
251.10660	0.5
255.04994	0.2
261.05698	0.7
262.06223	1.9
263.06989	1.8
264.07761	0.9
265.08615	0.5
266.09332	0.3
267.10245	0.3
273.06003	2.3
274.06299	0.7
275.07004	0.5
276.07846	0.9
277.05432	0.4
277.08572	9.2
278.06088	0.2
278.09204	1.1
279.06918	0.2
279.10114	2.1
280.07178	0.2
285.05771	0.2
289.04941	0.4
290.05795	0.7
291.06500	2.6
291.09619	0.2
292.07135	0.9
293.08041	0.5
294.08759	0.7
295.09485	0.8
302.05750	0.3
303.06503	0.2
304.07291	0.5
305.08041	10.9
306.08578	0.7
307.06192	0.3
307.09549	2.7
309.06186	0.2
309.07596	0.2
309.11154	1.8
319.05988	3.1
320.06644	0.7
321.07574	0.4
323.09131	1.7
325.10489	0.2
327.07156	1.0
333.07538	13.1
334.08084	0.6
335.05304	0.3
335.09100	3.5
336.09778	0.2
337.10675	5.7
338.11050	0.3
339.12122	0.2
345.08252	0.4
347.09338	0.2
349.06934	0.4
351.08594	8.2
352.08841	0.4
353.09933	0.2
363.08594	11.4
364.08951	0.8
365.10184	0.3
381.09650	100.0
382.09985	5.0
629.14960	0.5
761.30823	0.6
789.38019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	1.0
55.61052	0.8
59.88552	0.9
60.54279	0.7
62.36801	0.9
69.03410	1.1
69.41432	3.8
85.66160	0.7
93.07043	1.0
98.86246	1.0
105.07069	0.8
107.04939	0.9
107.08659	0.8
135.04425	1.0
151.07524	10.6
153.98747	0.8
160.92247	0.9
165.09184	1.1
167.07083	3.7
175.07635	1.4
177.09152	1.6
189.05237	12.4
195.06213	5.5
228.03067	0.9
287.12549	5.5
411.17908	1.0
453.19144	4.0
497.17697	1.5
501.23285	1.2
513.20941	31.8
514.20935	1.4
675.26038	2.0
711.23981	1.0
717.27289	24.1
718.28131	1.0
761.26166	100.0
761.38013	5.5
762.26581	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.05515	13.9
59.05021	6.8
61.02918	15.4
65.38398	7.2
67.05497	30.8
69.03422	59.9
69.07041	12.8
69.37063	35.3
70.06579	13.6
71.05014	17.1
72.08109	8.4
75.27065	6.5
79.05490	17.2
81.03400	33.7
81.07052	45.1
83.04992	7.1
85.02908	100.0
87.00810	51.1
91.05462	47.4
93.07048	46.3
93.22289	6.9
95.04961	30.5
95.08607	57.0
97.02887	51.0
97.06520	12.5
99.04443	28.8
103.05489	10.8
104.69868	7.0
105.01854	51.7
105.07030	58.6
107.08592	56.6
109.02866	37.9
109.06514	18.7
109.10160	19.1
111.04448	10.7
111.08091	19.5
115.05459	9.4
117.07014	25.9
119.08577	76.9
121.06511	10.4
121.10133	23.1
123.08043	13.0
127.03923	81.5
129.01865	8.3
129.06975	12.9
131.04918	23.3
131.08574	31.2
133.10150	29.5
135.08064	8.2
137.05974	51.9
139.07527	17.7
142.07832	12.3
143.08598	17.8
145.04959	25.1
145.10129	70.9
147.04425	14.2
147.11690	21.5
149.09604	14.0
151.03889	38.6
151.07558	27.6
151.11192	9.8
157.08658	16.2
157.10118	29.7
159.11690	49.8
161.05858	8.3
161.09628	16.6
161.13287	13.9
163.07532	14.8
167.07085	23.3
169.10139	13.8
171.11729	20.4
173.13184	10.9
174.41573	8.6
175.07478	9.3
177.05396	11.6
179.10657	9.6
181.04944	18.9
181.08607	12.2
183.11673	12.9
185.13237	26.7
187.14836	40.5
191.07059	47.7
197.13318	8.7
201.16353	56.9
207.06456	8.8
209.08047	12.4
211.14812	10.2
213.16411	26.6
223.14902	9.4
229.15823	48.3
231.04973	21.5
231.17354	11.3
241.15932	14.0
247.17020	17.4
281.19119	15.4
299.20026	39.5
317.21225	8.4
339.12195	9.4
387.14383	28.5
762.31390	8.2
762.49316	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.05515	13.9
59.05021	6.8
61.02918	15.4
65.38398	7.2
67.05497	30.8
69.03422	59.9
69.07041	12.8
69.37063	35.3
70.06579	13.6
71.05014	17.1
72.08109	8.4
75.27065	6.5
79.05490	17.2
81.03400	33.7
81.07052	45.1
83.04992	7.1
85.02908	100.0
87.00810	51.1
91.05462	47.4
93.07048	46.3
93.22289	6.9
95.04961	30.5
95.08607	57.0
97.02887	51.0
97.06520	12.5
99.04443	28.8
103.05489	10.8
104.69868	7.0
105.01854	51.7
105.07030	58.6
107.08592	56.6
109.02866	37.9
109.06514	18.7
109.10160	19.1
111.04448	10.7
111.08091	19.5
115.05459	9.4
117.07014	25.9
119.08577	76.9
121.06511	10.4
121.10133	23.1
123.08043	13.0
127.03923	81.5
129.01865	8.3
129.06975	12.9
131.04918	23.3
131.08574	31.2
133.10150	29.5
135.08064	8.2
137.05974	51.9
139.07527	17.7
142.07832	12.3
143.08598	17.8
145.04959	25.1
145.10129	70.9
147.04425	14.2
147.11690	21.5
149.09604	14.0
151.03889	38.6
151.07558	27.6
151.11192	9.8
157.08658	16.2
157.10118	29.7
159.11690	49.8
161.05858	8.3
161.09628	16.6
161.13287	13.9
163.07532	14.8
167.07085	23.3
169.10139	13.8
171.11729	20.4
173.13184	10.9
174.41573	8.6
175.07478	9.3
177.05396	11.6
179.10657	9.6
181.04944	18.9
181.08607	12.2
183.11673	12.9
185.13237	26.7
187.14836	40.5
191.07059	47.7
197.13318	8.7
201.16353	56.9
207.06456	8.8
209.08047	12.4
211.14812	10.2
213.16411	26.6
223.14902	9.4
229.15823	48.3
231.04973	21.5
231.17354	11.3
241.15932	14.0
247.17020	17.4
281.19119	15.4
299.20026	39.5
317.21225	8.4
339.12195	9.4
387.14383	28.5
762.31390	8.2
762.49316	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71675	0.6
55.01878	2.0
63.24196	0.5
65.03942	1.8
67.05517	0.9
69.07079	0.6
69.89996	1.8
71.04974	0.6
75.04455	0.6
79.05495	1.9
81.03410	3.2
85.02914	3.2
91.05469	3.9
93.02007	0.5
93.03476	0.6
94.04204	1.6
95.04968	3.7
98.22810	0.8
103.05460	18.0
105.01871	1.0
105.04507	0.7
105.07021	2.2
107.04961	2.6
108.02098	0.7
109.02905	0.6
109.06519	1.3
110.03709	0.7
111.04422	1.1
115.05446	2.6
117.07012	2.6
118.04132	3.0
119.04956	5.4
122.03621	3.3
123.04395	2.0
124.05183	0.8
125.05985	2.1
129.07001	1.8
130.04124	0.9
131.04918	34.2
132.05751	0.6
133.02846	2.3
133.06490	3.8
134.03592	0.6
135.08018	1.8
137.05966	64.1
138.06305	1.2
141.05492	0.7
143.04932	1.5
145.06494	3.2
146.03615	1.2
147.04410	6.0
147.07967	1.2
148.05167	6.7
149.05972	2.1
151.03896	79.2
151.04953	4.9
151.07431	3.0
152.04379	0.9
153.05418	3.4
157.06508	1.4
160.05205	1.0
161.05952	4.9
163.07532	22.3
165.05461	3.6
165.09128	0.8
167.07021	10.0
171.04318	1.2
171.06525	1.0
173.05937	3.4
174.06775	0.8
175.07497	5.7
175.31972	0.6
176.04671	2.3
177.05460	2.9
177.09151	0.9
178.06239	0.6
179.07021	9.3
179.08482	0.5
181.04944	18.6
181.08484	1.0
187.07474	2.3
188.08298	0.6
189.05484	1.6
189.09096	1.5
191.07013	100.0
192.07372	1.7
193.04881	0.8
193.08601	2.2
195.06512	0.9
201.05478	1.0
203.06979	3.3
205.06616	1.3
205.08546	4.5
207.08112	0.9
207.10014	1.1
209.08083	6.0
217.06552	0.6
217.08598	1.1
219.10089	2.1
221.07884	0.8
223.07600	0.7
223.09679	1.3
231.06352	1.2
233.05994	0.9
233.07997	3.4
234.06670	1.3
235.07550	1.1
235.09586	3.5
237.09064	1.9
239.10757	0.9
245.08276	0.9
249.08977	1.3
259.09644	0.8
263.09140	22.9
265.08490	2.1
267.10190	1.2
277.08533	1.5
279.10025	0.7
286.97232	0.6
293.07849	0.8
294.08652	0.7
295.09631	1.3
297.11078	1.2
299.12775	0.9
302.07251	0.6
305.07950	0.7
309.11316	1.3
314.11319	0.7
325.10577	1.5
327.12256	2.8
329.13757	2.1
337.10617	1.6
341.13632	0.9
351.12100	1.5
355.11810	7.6
357.13135	1.4
359.14783	2.5
369.13324	6.7
387.14343	51.6
388.14578	2.3
517.18909	3.5
549.20813	1.7
580.54388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
65.03939	15.9
67.05495	2.4
67.82919	0.7
69.03421	1.5
69.33555	4.2
75.22952	0.8
78.04725	1.0
79.05489	1.5
81.03410	1.8
82.04181	2.6
83.85838	0.7
85.02881	4.1
91.05475	4.0
93.03405	11.8
95.01336	2.0
95.04937	2.5
97.06531	1.3
103.05460	1.1
105.04601	0.8
105.07027	3.4
106.04158	1.2
107.04954	4.6
109.02866	1.2
110.03651	15.0
111.04436	15.1
115.05441	2.2
119.04922	3.0
121.02866	2.9
121.06514	1.2
123.04427	1.1
125.05992	19.7
127.03844	0.8
129.06999	3.0
131.04909	1.8
131.08691	0.9
133.02859	2.6
133.06483	1.7
137.06001	4.7
138.03082	1.4
143.04900	1.0
144.05710	1.7
145.06480	2.1
147.04420	4.7
147.08025	1.5
149.02342	2.9
149.05945	2.4
151.03931	1.6
151.07558	1.5
153.05460	85.0
154.05763	0.9
156.05746	1.0
157.06483	1.2
158.07312	1.9
159.08051	8.5
161.06017	4.6
161.09569	3.8
163.03876	1.4
165.07039	1.2
167.07028	26.1
168.07338	0.9
171.04420	3.5
171.07944	1.0
173.05948	1.2
174.06718	2.2
175.07492	8.3
177.05513	1.9
178.07817	1.5
179.07036	2.7
179.08522	1.4
181.04982	10.7
181.08572	1.0
185.06027	2.0
186.06755	12.2
187.07497	9.6
189.09138	1.9
190.07768	1.3
191.06989	1.9
191.08548	2.5
193.10278	0.9
194.07263	1.4
195.08061	1.3
199.07550	3.0
203.08560	2.0
205.06526	1.1
206.07245	1.6
207.08119	1.5
208.08798	2.2
209.08047	2.7
209.09717	1.2
216.07771	8.5
217.06593	0.8
217.08633	2.0
218.07246	2.5
219.08011	7.7
220.08838	6.2
221.06024	3.5
221.09598	5.7
221.74158	1.0
223.07539	1.7
223.11099	1.1
225.09129	1.8
229.08598	11.1
231.08121	1.9
233.06038	1.6
233.09605	1.5
234.06749	2.8
235.07454	4.4
236.08313	11.5
237.09082	3.2
239.07043	1.1
240.07655	0.9
247.07576	5.0
247.09639	1.1
248.08264	3.8
249.05484	2.5
249.09090	7.1
250.06558	0.9
250.09746	1.4
251.07433	1.8
251.10626	20.8
252.11259	2.5
253.08539	5.5
261.05356	1.4
261.09113	3.7
263.07114	1.7
263.10529	1.1
264.07794	12.8
265.08530	12.2
266.09387	2.2
267.10071	2.3
268.10919	2.7
275.07089	4.1
276.07813	8.1
277.05588	1.5
277.08505	7.4
278.09229	4.4
279.10129	15.1
280.10699	1.1
281.08109	3.2
281.11688	5.8
282.12335	1.3
283.13226	12.3
289.08423	2.5
290.09259	1.3
291.10098	2.5
292.07294	4.6
292.10843	2.1
293.08109	3.7
293.11502	1.2
294.08859	2.3
295.09552	2.6
296.10440	3.1
297.11234	1.5
298.28955	1.0
298.32477	0.9
304.07233	1.6
305.07974	1.7
306.08923	1.0
307.09619	70.2
308.10355	13.4
309.11154	7.7
311.09323	1.6
311.12750	14.0
313.14337	1.5
319.06247	1.1
319.09503	4.5
320.10138	1.3
321.11090	3.0
323.12744	3.7
324.09854	1.4
325.10660	5.7
325.14227	1.3
337.07095	1.3
337.10678	5.1
338.11319	2.2
339.12247	100.0
340.12894	6.8
341.13843	25.4
342.14032	1.3
351.12231	19.6
352.12622	1.2
353.13791	7.5
357.13324	6.1
369.08792	1.5
369.13309	28.2
370.13934	3.6
371.14905	4.4
387.14178	1.9
487.16135	1.5
489.19037	1.2
501.18729	1.2
519.18835	2.4
764.26501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
64.49107	0.7
65.03935	1.7
68.46948	0.7
69.03432	1.8
69.42677	1.5
69.43072	1.9
75.04466	0.7
77.03948	0.8
77.59572	0.8
79.05489	1.5
81.03416	2.3
81.07054	1.4
85.02896	2.6
87.00852	0.8
88.54085	0.7
91.05482	4.3
93.07063	1.1
94.04192	1.3
95.04968	3.0
95.08630	0.9
98.22705	1.4
103.05469	16.4
105.06994	1.8
107.04987	3.7
109.02887	1.2
109.06553	1.1
111.04414	0.9
115.05444	3.0
117.07005	2.8
118.04253	1.5
119.04915	4.5
119.08607	1.3
121.02810	0.8
121.06533	1.4
122.03633	2.4
123.04441	2.4
125.06033	1.1
127.03915	1.4
129.06998	1.4
130.04193	0.8
131.04939	32.5
133.02849	1.3
133.06494	4.1
135.04323	0.8
135.08028	2.2
137.05986	64.6
139.07503	0.7
141.05408	1.0
143.04973	1.8
145.06505	3.5
145.89192	0.7
146.03505	0.7
147.04431	5.8
147.08101	1.3
148.05185	7.7
149.05991	2.8
151.03917	84.0
151.04999	5.7
151.07561	2.7
152.04268	1.8
153.05501	2.6
157.06473	1.0
159.08022	1.3
160.05244	1.8
161.06006	3.5
163.07544	25.7
164.07869	0.8
165.05556	3.4
166.92587	0.7
167.07054	8.4
171.04419	1.1
173.06023	5.0
174.06769	0.8
175.07561	6.6
176.04753	1.2
177.05469	3.8
177.06789	0.7
177.09097	1.9
179.07047	8.9
181.04971	18.5
181.08594	0.9
187.07561	1.8
189.05455	0.9
189.09027	1.8
191.07039	100.0
192.07397	1.4
193.04951	1.7
193.08572	2.0
195.06549	0.9
201.05461	1.3
203.06993	4.2
205.08621	5.0
207.08171	0.9
207.10107	1.7
209.08141	4.2
219.10258	1.9
221.08020	0.9
231.06525	1.4
233.08070	4.4
235.07608	1.5
235.09700	3.9
237.09013	2.1
239.10718	1.2
249.09113	1.1
253.08667	0.7
263.09171	22.5
265.08466	1.8
267.10236	2.1
277.08542	2.0
281.11551	1.0
283.20490	1.0
293.07965	1.3
295.09717	1.6
297.11224	1.7
299.12729	1.2
309.11313	1.5
312.24643	0.7
325.10818	1.9
327.12247	2.7
329.13934	2.0
337.10712	1.6
339.12543	0.7
351.12283	1.7
355.11749	9.6
357.13177	1.5
359.15018	1.3
369.13248	4.8
376.36685	0.9
380.37061	0.8
387.14395	52.1
388.14664	1.4
443.22107	0.8
517.18500	2.3
549.21533	1.9
733.71442	1.0
771.13977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30754	0.3
69.84817	1.3
85.23011	0.3
98.23384	0.4
133.11923	0.3
179.45317	0.3
247.50650	0.3
371.05231	8.8
387.04291	0.6
389.06198	0.6
402.07059	6.7
403.07117	0.3
412.07852	0.8
417.09418	100.0
418.09705	4.7
435.10568	0.9
458.12106	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09745	0.3
56.50362	0.4
58.99618	0.4
69.19255	0.4
69.34267	1.0
69.34666	1.5
70.06593	0.7
178.44962	0.4
181.04997	0.6
185.04221	3.0
252.15028	0.4
309.09540	0.5
320.96799	0.4
367.10242	0.7
425.12085	1.2
439.13708	0.8
440.14417	2.5
441.15097	1.3
449.14444	0.8
556.19690	0.5
573.19293	0.7
583.17657	0.6
587.17419	1.0
601.19073	1.7
602.19312	0.8
603.20398	7.5
679.89368	0.5
765.25665	100.0
766.26184	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03438	2.8
61.02928	5.5
67.05508	4.6
69.03432	3.5
69.07063	0.9
70.71334	1.1
73.02927	3.0
79.05501	4.5
81.03443	2.4
81.07068	3.5
83.08628	1.1
91.03960	4.0
91.05505	1.9
91.11327	0.8
93.07055	4.0
95.08623	2.8
97.02902	5.4
99.04487	0.9
101.02362	1.6
105.07065	2.0
107.08601	1.8
109.02852	0.9
109.10176	0.9
121.10178	2.5
127.03925	1.8
131.08537	1.2
132.17474	0.8
133.10129	0.9
133.58887	0.8
185.04318	0.9
243.08400	2.0
251.12694	1.0
269.13657	1.3
277.45773	0.8
334.14075	0.8
358.00052	0.9
366.23212	0.8
443.18930	5.0
487.21442	4.1
519.29303	7.5
529.83374	0.8
721.41150	2.5
747.42426	1.5
765.43860	100.0
766.43848	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.1
60.09797	1.7
61.37856	1.6
65.03935	4.6
67.05501	2.7
67.85786	1.9
69.03439	3.5
69.07092	2.0
69.30744	5.9
69.31149	3.5
70.06597	4.4
71.22417	1.8
79.05506	4.9
81.03418	4.1
81.75353	1.9
85.02913	8.5
91.05491	10.4
93.03407	3.7
93.07068	2.8
95.04978	4.7
98.98460	4.6
99.04500	2.2
103.05443	11.5
105.01847	3.4
105.07063	6.3
107.01307	4.7
107.04966	4.7
107.08591	3.3
109.02866	2.9
109.06490	2.7
109.10135	2.2
110.03640	3.2
111.04432	10.0
115.05456	2.1
117.07025	3.7
119.04936	5.4
119.08558	2.9
121.06494	4.6
121.10099	3.3
122.03639	3.9
123.04469	6.8
125.05981	6.4
127.03926	5.7
128.06204	3.9
129.06981	13.2
129.10236	1.8
131.04950	15.9
131.08580	6.8
133.02844	4.3
133.06506	6.5
133.10088	3.6
135.04425	3.4
135.08046	2.3
137.05983	41.3
137.88493	1.9
139.03902	7.7
143.04961	2.5
143.08562	2.9
145.06476	5.5
145.10110	3.4
147.04387	9.8
148.05241	2.9
149.06000	7.6
151.03914	15.9
151.04968	2.7
151.07567	11.2
153.05447	15.7
157.06473	14.9
159.04657	2.0
159.08002	5.0
159.11754	2.4
161.05969	6.0
161.09650	2.1
163.07536	15.6
165.05542	2.3
165.09196	1.9
167.07072	19.7
169.06483	1.9
173.06065	3.1
174.06773	9.2
175.07535	11.4
177.05486	7.6
178.00731	1.8
179.07047	9.4
181.04929	20.8
181.08548	3.2
185.05971	7.3
187.07507	9.7
189.09076	34.6
190.07712	2.2
191.07027	43.7
191.08684	3.8
193.08646	5.4
201.09196	5.2
205.08540	4.6
209.07974	10.9
211.09608	4.2
212.09720	1.8
213.09030	2.8
217.06474	5.0
217.08626	13.7
218.07289	2.4
219.08047	5.3
219.10123	37.7
221.06290	1.9
221.08099	8.5
225.09215	2.7
235.07576	3.8
240.07899	2.2
247.07487	3.7
247.09738	4.0
249.09132	7.8
249.11310	4.3
250.06239	2.0
251.10771	4.6
253.08501	3.9
255.10165	2.2
261.09164	6.8
263.07001	5.2
264.07919	2.7
265.08575	2.9
266.09283	3.3
267.10278	3.5
269.08157	3.8
269.11374	2.2
270.08847	2.3
277.08624	10.6
278.09412	2.8
279.10196	5.3
281.11670	3.4
285.07504	2.3
285.11151	2.3
289.08502	2.1
293.11404	4.2
295.09811	5.3
296.10428	4.5
297.11093	5.6
299.12766	2.2
303.23090	2.6
307.09680	3.4
309.11130	8.4
311.12677	8.9
321.11227	5.3
325.10669	3.7
327.12314	7.9
329.13797	50.1
339.12354	20.2
341.13757	6.8
343.15533	5.2
349.86206	2.0
353.13681	5.2
357.13324	24.3
359.14880	32.2
361.16815	2.2
371.14874	100.0
372.15411	3.4
375.14233	7.8
389.15939	60.4
397.16312	4.6
427.17780	2.1
464.15155	2.0
533.20349	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34756	1.2
60.51288	1.2
69.49132	2.2
69.49537	4.9
86.10418	1.3
115.63138	1.3
119.81860	1.2
126.15741	1.2
151.00230	1.6
300.51596	1.3
403.05704	100.0
404.06042	5.3
405.04984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70586	0.4
56.39595	0.5
66.00857	0.6
69.07086	0.5
70.06593	0.9
71.45851	0.6
74.43967	0.6
83.01120	0.9
84.01896	0.6
86.09772	0.6
95.01080	2.8
95.08625	0.5
96.01862	0.8
103.05493	0.9
105.07014	0.7
113.02128	3.1
122.03639	0.7
131.04965	1.4
137.05981	2.9
147.04422	0.9
151.03917	0.9
151.07549	0.5
157.04848	0.7
161.09666	0.6
166.57274	0.5
167.03123	0.7
177.05397	0.9
185.04204	4.8
188.01411	0.5
191.07098	0.7
201.03752	1.6
202.06000	1.0
203.05255	4.8
205.71400	0.5
314.50647	0.5
381.11496	0.6
389.15500	0.5
395.11026	2.4
410.13431	5.8
411.14087	1.1
457.67792	0.5
468.60220	0.5
551.10602	0.6
559.19629	1.7
769.26691	100.0
770.27057	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70586	0.4
56.39595	0.5
66.00857	0.6
69.07086	0.5
70.06593	0.9
71.45851	0.6
74.43967	0.6
83.01120	0.9
84.01896	0.6
86.09772	0.6
95.01080	2.8
95.08625	0.5
96.01862	0.8
103.05493	0.9
105.07014	0.7
113.02128	3.1
122.03639	0.7
131.04965	1.4
137.05981	2.9
147.04422	0.9
151.03917	0.9
151.07549	0.5
157.04848	0.7
161.09666	0.6
166.57274	0.5
167.03123	0.7
177.05397	0.9
185.04204	4.8
188.01411	0.5
191.07098	0.7
201.03752	1.6
202.06000	1.0
203.05255	4.8
205.71400	0.5
314.50647	0.5
381.11496	0.6
389.15500	0.5
395.11026	2.4
410.13431	5.8
411.14087	1.1
457.67792	0.5
468.60220	0.5
551.10602	0.6
559.19629	1.7
769.26691	100.0
770.27057	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
55.05516	17.7
57.03440	18.9
57.07075	3.2
61.02962	1.5
65.03955	2.8
65.56222	1.1
67.05510	56.7
69.03429	3.0
69.07070	13.8
69.16356	8.5
71.05003	3.6
79.05496	42.2
81.03425	80.2
81.07057	61.8
83.04987	6.5
83.08621	20.1
85.02928	4.1
85.06565	2.2
91.05486	34.4
93.07051	43.0
95.04977	28.9
95.08616	44.0
97.02916	2.9
97.06557	5.4
97.10194	6.7
99.08099	1.4
103.05546	1.6
105.07035	26.1
107.04986	5.8
107.08600	25.5
109.06516	5.6
109.10165	18.0
111.08086	6.3
117.07037	8.7
119.08588	23.1
119.09397	1.7
121.06530	3.8
121.10158	23.7
123.04481	2.0
123.08106	2.2
123.11712	7.2
125.09676	5.0
129.07008	10.0
130.49643	1.4
131.08578	20.6
133.06554	3.7
133.10129	14.6
135.08052	1.4
135.11694	12.0
137.09656	2.0
137.13213	2.2
142.07802	2.8
143.08582	3.1
145.10146	7.6
147.08058	2.5
147.11745	13.4
149.09668	3.6
149.13245	6.6
157.10156	10.9
159.11667	7.8
161.13261	4.6
163.11240	2.6
163.14877	4.1
173.13280	5.1
175.11243	8.2
175.14819	2.6
187.14861	2.8
189.11226	3.9
193.12244	19.5
211.13135	1.6
227.12697	7.1
243.21133	5.3
249.14812	2.5
261.22183	20.0
267.15930	100.0
279.23184	1.5
285.17026	2.2
301.25299	5.8
309.17062	3.4
317.24692	3.5
327.17957	1.7
335.25797	89.0
336.26251	2.5
419.78391	1.5
435.32758	3.2
453.33701	8.9
465.75626	1.5
471.34833	4.7
509.35803	1.6
527.37384	67.5
528.37506	2.7
545.38367	53.7
546.39044	3.0
569.38092	4.7
671.42065	2.2
774.45984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	24.1
57.28786	1.4
64.34113	1.2
69.94840	3.8
79.05475	1.9
81.07058	2.5
84.96046	3.7
95.05016	1.5
98.23398	1.5
98.97576	71.8
105.07051	1.3
109.98862	1.5
110.97557	23.4
111.04439	1.2
112.51088	1.1
112.99126	19.5
116.98625	25.3
119.08586	1.1
124.99120	5.3
128.98598	17.6
131.00165	31.6
131.08578	2.1
134.99678	5.7
140.00157	3.3
140.98570	6.4
143.00142	13.3
144.98099	1.9
146.99628	9.1
149.01205	33.5
149.02371	2.1
152.00194	1.8
152.98579	3.0
154.01807	2.6
158.99644	42.0
161.01216	8.6
167.02289	5.7
170.99644	38.8
171.01102	1.3
172.02812	3.1
173.01208	9.1
177.00693	27.8
182.99612	2.7
185.01242	8.0
185.32683	1.4
187.02562	1.2
189.00700	32.9
191.02219	7.9
194.99825	2.1
195.01653	2.0
199.02711	6.7
200.02280	5.0
201.00648	11.3
203.02171	8.3
203.11337	1.3
207.01726	2.5
209.01285	2.2
209.03223	1.4
212.02263	5.8
213.00729	5.8
215.02267	3.4
217.03888	5.7
219.01744	21.0
227.02272	2.3
231.01692	3.5
233.03487	2.9
237.02812	8.7
261.02777	20.8
261.05362	1.6
275.04410	12.7
279.03854	22.1
291.03857	6.0
293.05420	30.9
297.04929	8.6
302.05408	6.1
305.05313	1.4
309.04822	5.0
311.06436	10.5
316.07016	2.1
317.17847	28.9
321.04901	100.0
334.08081	2.8
335.06473	1.7
335.18964	6.7
339.05966	5.6
352.26300	1.3
362.07544	5.4
381.06985	6.5
399.08273	1.6
432.68048	1.4
437.09644	27.2
455.10706	49.3
539.24939	7.1
553.26782	9.7
659.29321	1.5
715.32074	55.5
716.31885	3.1
775.37866	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70931	1.0
56.70514	1.0
56.96559	21.5
65.43448	1.0
67.05488	1.3
70.40352	1.1
75.31898	1.0
81.07053	1.4
84.96028	4.5
85.02903	1.0
93.07067	1.4
96.37600	1.1
98.97572	63.7
99.05572	1.3
110.97554	20.3
112.99118	21.4
113.98375	1.2
116.98612	25.3
120.47311	0.9
124.99120	4.2
128.98598	19.7
131.00160	34.8
134.01564	1.2
134.99669	4.7
140.00217	4.0
140.98627	4.9
143.00179	12.6
146.99640	8.7
149.01208	33.6
152.00153	2.1
152.98625	3.4
154.01732	2.0
155.00218	1.6
158.99635	32.6
161.01176	8.8
167.02289	4.8
170.01297	1.2
170.99629	34.0
172.02826	3.3
173.01169	8.0
177.00694	27.9
179.02242	1.4
182.99643	2.8
185.01221	7.7
189.00693	33.6
191.02277	9.2
194.99741	2.3
195.01778	3.2
195.77310	1.0
199.02791	6.1
200.02379	4.0
201.00674	9.7
203.02237	9.9
207.01915	2.0
209.01237	2.4
212.02296	3.9
213.00723	5.8
215.02299	3.0
217.03810	5.8
219.01744	20.3
227.02220	3.2
231.01747	4.5
233.03323	3.8
237.02777	10.0
242.03244	2.7
261.02783	23.0
275.04343	8.6
279.03848	22.6
291.03873	5.1
293.05405	35.0
297.04947	6.9
302.05426	4.6
305.05478	1.6
309.04913	3.9
311.06430	10.5
316.07126	3.3
317.17856	25.5
321.04886	100.0
322.05249	2.6
334.08273	1.9
335.06479	1.3
335.18982	6.0
339.05920	5.7
358.20612	2.1
362.07382	5.8
363.06036	1.7
381.07260	8.0
399.08002	2.0
420.46542	1.1
437.03906	2.0
437.09644	24.2
455.10681	47.8
456.11292	1.5
539.25171	7.9
553.26611	9.1
571.27594	1.8
659.28754	1.4
715.32062	65.2
716.32587	6.2
743.56787	1.1
775.42621	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.4
65.03944	1.6
69.03411	1.2
77.03954	0.3
85.02895	0.8
89.03895	0.3
91.05481	13.0
103.05499	0.4
110.41521	0.3
118.04136	0.4
119.04942	24.4
120.05244	0.5
121.02915	0.3
127.03979	0.4
132.02090	0.9
135.04401	0.7
136.05243	0.6
145.02824	0.4
146.03616	0.8
147.04408	21.6
148.04756	0.6
149.02443	0.5
153.05406	0.6
157.03973	3.1
164.04745	0.4
169.04936	0.5
171.06523	1.2
174.03152	1.0
175.03908	43.4
176.04251	0.9
179.07057	2.4
181.04953	14.7
181.31639	0.3
192.04230	1.5
199.06143	0.4
207.06522	100.0
208.06810	1.4
237.65285	0.4
291.26602	0.3
325.09192	0.5
334.91895	0.3
351.10684	0.4
399.64450	0.4
513.29236	0.3
525.10980	0.4
759.13403	0.3
790.87866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2232
Annotation	Patavine
Peak:m/z	Relative Intensity
55.01868	0.7
55.05502	0.4
57.03434	10.9
59.04995	0.8
60.54491	0.2
61.02926	2.9
67.05495	0.5
69.03427	29.7
69.21499	0.2
69.79080	0.6
71.01353	1.8
71.04986	0.5
71.79477	0.2
73.02916	13.9
75.04478	0.4
79.05499	0.6
81.03422	3.2
83.01338	1.3
83.04974	1.9
85.02900	13.1
86.21299	0.2
87.04466	6.3
91.02862	0.2
91.03955	1.1
91.05478	0.6
95.01253	0.2
95.04961	1.1
97.02888	33.0
97.06511	0.2
98.03188	0.3
99.04440	2.4
101.02375	0.3
102.66159	0.2
103.03938	2.6
107.04946	0.6
109.02895	0.5
109.06553	0.3
111.04436	2.6
111.09588	0.2
113.02367	1.6
115.03925	17.1
117.05480	1.4
119.04946	0.4
123.04411	1.3
125.02354	0.6
125.05984	0.4
127.03905	2.3
133.04951	7.3
135.04398	1.0
137.02357	0.6
137.05942	0.5
139.03891	3.1
143.03421	0.6
145.04971	0.9
147.04405	0.5
149.02371	0.2
149.04408	1.4
151.03879	1.4
153.05487	0.9
157.04964	5.6
163.03891	1.2
165.05417	1.1
169.04965	0.6
175.03947	0.2
175.06035	1.0
181.04977	1.0
183.06610	0.2
187.06065	0.4
189.07060	0.2
193.05011	1.2
199.05988	0.3
203.07220	0.2
205.06509	0.6
206.07220	1.1
207.08005	0.2
210.46317	0.2
211.06004	6.8
216.05618	0.3
217.07037	0.3
219.08188	0.4
229.07068	9.3
232.05202	0.3
233.06003	1.0
234.06746	2.8
235.07570	0.9
236.08266	0.3
239.10707	0.2
246.06743	0.4
247.08076	5.7
248.08401	1.2
249.09099	1.7
251.07056	0.4
251.10696	0.7
261.05560	0.6
262.06290	2.1
263.07019	1.8
264.07892	0.6
265.09143	3.1
266.09433	0.3
267.10196	0.5
274.06271	0.6
275.07227	0.3
276.07764	1.1
277.05405	0.4
277.08569	8.9
278.09216	0.8
279.06995	0.4
279.10123	1.8
289.04825	0.2
290.05789	0.9
291.06509	2.3
292.07288	0.7
293.08136	0.5
294.08807	0.7
295.09665	0.7
302.05826	0.3
304.07352	0.6
305.04843	0.4
305.08057	9.6
306.08606	0.5
307.06262	0.4
307.09659	2.7
309.11160	1.3
319.05975	2.7
320.06714	0.6
321.07605	0.3
323.09155	1.6
332.06757	0.3
333.07550	13.1
334.08014	0.7
335.09067	2.5
337.10669	4.8
349.06940	0.5
351.08609	7.3
352.09430	0.3
363.08603	10.0
364.09012	0.5
381.09659	100.0
382.10007	5.2
495.12585	0.4
513.13818	0.8
573.78320	0.2
645.17694	0.3
739.59674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05507	1.1
57.03437	9.3
61.02924	2.7
65.03970	0.5
67.05508	0.5
69.03428	29.0
70.70837	0.5
70.71175	0.4
71.01341	2.0
73.02914	12.8
79.05480	1.1
81.03423	2.8
81.07059	0.8
83.01352	1.0
83.04990	2.2
83.05424	0.4
85.02904	12.0
87.04475	5.9
91.03971	0.9
91.05473	1.4
93.07047	0.7
95.04968	1.4
97.02893	31.5
97.06548	0.4
98.03205	0.5
99.04463	2.7
103.03938	2.7
105.07032	0.6
107.04940	0.8
107.08575	0.7
109.02890	0.8
109.44132	0.4
111.04436	3.3
113.02349	1.3
115.03928	17.5
116.30230	0.4
117.05498	1.5
117.19746	0.4
117.42352	0.4
123.04394	0.9
125.02347	0.6
125.06001	0.4
127.03910	2.3
133.04973	7.4
135.04402	0.9
137.02309	0.5
137.05980	2.3
137.09598	0.6
139.03874	2.1
139.76027	0.4
143.03389	0.6
144.08154	0.7
145.04965	0.9
147.08057	0.9
149.04475	1.3
151.03940	1.4
153.05481	0.5
157.04964	6.3
161.04533	0.4
161.05917	0.6
161.09604	2.1
162.09991	0.4
163.03891	1.0
165.05479	1.3
165.09100	0.6
169.05005	0.5
175.06006	0.8
181.04918	1.2
181.06396	0.4
183.06517	0.4
187.06007	0.6
189.09094	0.6
191.08643	0.5
193.04944	1.3
205.06488	0.5
206.07294	0.9
207.08028	0.7
207.10112	0.6
209.06082	0.4
211.06009	5.9
217.06963	0.5
221.11716	1.2
229.07059	7.9
231.45462	0.4
233.05948	1.1
234.06680	2.6
235.07512	1.2
236.08073	0.4
246.06815	0.7
247.08064	6.0
248.08253	0.9
249.09213	2.0
251.07097	0.5
251.10834	0.8
261.05399	0.4
262.06171	1.4
263.06995	1.2
265.09204	2.8
266.09265	0.5
274.06073	0.7
275.07034	0.5
276.07843	0.5
277.08594	8.3
278.09250	1.0
279.10150	1.7
289.05176	0.5
290.05814	0.7
291.06479	2.1
292.07355	0.5
294.08780	0.8
295.09515	0.7
305.08041	9.0
306.08737	1.0
306.88870	0.4
307.09653	2.1
309.11182	1.6
318.63443	0.5
319.05933	2.2
323.09067	1.4
325.10889	0.5
333.07541	10.8
335.09036	2.6
337.10724	5.1
339.12238	0.6
351.08591	7.3
362.55368	0.5
363.08594	10.0
364.08899	0.5
381.09665	100.0
382.10019	4.2
403.07626	1.8
511.35199	0.7
513.13965	0.9
535.12323	2.2
697.17261	3.7
698.18475	0.6
746.30255	0.5
777.37579	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11506	0.5
67.05214	0.4
69.03417	0.4
70.06602	0.9
71.46042	0.6
73.07448	0.3
77.06245	0.3
78.83738	0.3
79.05505	0.4
85.24879	0.3
91.05524	0.4
96.23017	0.4
97.02900	0.4
101.60466	0.4
105.07036	0.6
111.04273	1.1
131.04935	0.5
133.10251	0.5
137.06024	0.9
145.10115	0.4
159.04170	40.0
160.04475	0.5
163.07500	0.6
167.07098	0.7
173.05788	0.4
175.03667	16.0
175.05141	0.8
177.05457	0.8
181.05006	0.6
189.05301	0.6
191.07074	0.9
201.05305	0.7
202.06039	0.6
203.06949	0.4
204.07524	2.2
220.07159	1.4
220.28583	0.4
221.08194	0.5
224.56088	0.4
226.01135	0.4
297.43671	0.4
308.10571	0.5
312.38559	0.4
356.12256	2.5
383.14551	0.7
384.15228	2.1
397.16211	12.3
399.92252	0.4
411.17664	1.8
413.15503	2.1
427.17468	1.8
428.18134	0.8
429.15247	1.3
434.65762	0.5
530.21790	0.4
534.37469	0.4
565.20441	2.2
580.23535	0.8
581.23364	0.9
593.23938	0.7
777.30853	100.0
778.31244	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05512	1.1
57.03446	2.1
61.02927	3.8
62.89680	0.3
67.05503	3.3
69.03418	2.0
69.07066	0.7
69.79539	1.0
71.04999	1.1
73.02920	2.5
79.05510	2.8
81.03415	1.9
81.07059	2.9
83.04982	0.5
83.08631	0.7
85.02911	5.0
87.04479	0.6
91.03970	2.9
91.05492	1.5
92.02171	0.3
93.07033	2.6
93.49734	0.3
95.04985	1.1
95.08615	2.0
97.02893	3.9
97.03396	0.3
98.51494	0.4
99.04467	1.1
101.02406	1.3
103.03929	1.9
105.07071	1.2
107.08614	1.2
109.02859	0.5
109.10192	0.6
111.08066	0.3
117.07079	0.3
119.08553	0.9
121.10102	1.7
123.11719	0.6
127.03926	2.1
131.08595	0.9
133.10190	0.5
135.11693	0.5
145.05028	1.1
147.11723	0.9
147.39369	0.3
149.09666	1.0
149.13321	0.5
154.68329	0.3
157.10194	0.5
163.06094	0.9
172.10765	0.4
185.04300	0.5
193.12271	0.6
233.11678	0.6
243.08418	1.9
283.04749	0.4
283.15158	3.6
317.18018	1.0
332.17697	0.4
335.19025	0.5
335.26111	0.6
359.41702	0.3
391.21814	0.6
441.21414	0.4
442.93408	0.4
501.23059	5.8
519.29327	6.2
530.34540	0.3
580.38641	0.4
634.50861	0.4
712.34412	0.4
779.45496	100.0
780.45685	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01272	0.5
55.01871	3.2
55.05502	1.9
57.03437	5.1
61.02918	2.0
63.02357	0.8
65.03924	0.9
67.05488	1.3
68.99792	1.6
69.03426	12.0
69.47794	0.5
71.01338	1.2
71.04991	16.1
73.02915	3.8
74.79374	0.5
75.04471	1.0
75.97971	0.4
79.05492	1.6
81.03414	10.4
81.07039	1.1
83.04469	0.6
83.04977	12.5
85.02903	46.1
87.00828	10.6
87.04478	0.6
91.05478	2.0
93.07053	1.0
95.01265	0.7
95.04964	1.8
95.66119	0.5
97.02893	10.7
97.06538	0.6
98.07025	0.5
99.04446	5.3
102.04700	0.5
103.03923	2.1
103.05449	2.7
105.01868	11.0
105.07022	2.0
107.04949	1.5
107.08672	0.6
109.02878	11.2
111.04441	10.7
113.02367	0.6
113.05982	1.0
115.03934	2.1
115.05450	21.5
116.05863	0.5
117.01868	1.2
117.07015	38.6
118.07343	0.9
119.05025	0.6
121.02855	0.7
121.10131	0.9
123.04420	1.2
125.02342	3.7
127.03917	17.2
127.05427	1.2
128.06212	10.3
129.01826	2.1
129.05579	9.5
129.07001	69.3
130.07346	1.0
131.04919	7.0
131.65349	0.5
133.06532	2.5
134.08118	0.9
135.04410	7.9
137.05959	1.2
137.09532	0.7
139.03922	1.0
142.04164	0.7
143.04924	23.6
145.04985	3.7
145.06480	20.1
146.06900	0.7
147.02884	1.9
147.04422	1.2
147.06508	1.6
149.05960	0.7
151.03893	0.9
151.07567	1.0
153.05487	0.9
155.04898	3.0
155.06039	4.5
157.06483	30.0
159.02916	3.9
159.04420	12.1
161.04626	0.9
161.05974	10.3
163.03964	0.5
165.05487	0.7
167.07074	1.2
169.04831	0.5
170.03662	0.8
170.06595	0.5
171.04388	31.4
172.05037	1.2
173.04564	1.1
173.05974	25.9
174.06432	0.6
175.07513	1.3
177.05583	0.8
181.04898	0.7
183.04362	0.7
185.05972	10.9
186.06566	0.7
187.03934	6.3
187.05737	0.8
187.07513	2.5
188.04706	0.8
189.03920	3.7
189.05481	2.9
191.06950	1.0
193.05055	0.6
199.03897	21.4
200.04562	0.8
201.05460	55.9
202.05818	1.5
203.03453	2.4
203.07024	0.5
213.03859	2.8
213.05714	0.7
213.07678	0.6
217.04961	7.2
219.04765	0.6
219.06549	2.0
229.04958	31.7
231.06554	71.8
232.06876	1.6
233.06354	0.7
237.07549	3.6
246.37384	0.5
247.06006	100.0
248.06403	1.8
249.05893	1.1
255.08681	2.3
265.05539	1.0
275.07098	0.7
277.08603	0.6
305.08124	1.0
315.10840	1.3
333.07529	0.7
333.11917	0.5
334.07809	0.7
341.08917	1.1
357.09509	0.6
359.09750	2.7
369.09631	2.2
377.11301	1.1
381.09741	3.0
382.09906	3.6
383.10406	3.7
440.67847	0.7
461.12598	0.9
495.11469	4.9
780.34790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
67.05489	6.2
69.76662	10.8
69.76989	6.7
70.79370	5.3
72.00874	4.8
75.61777	5.3
81.07043	6.0
126.02017	5.1
133.10086	6.3
170.62430	5.3
258.03116	6.1
276.12003	5.3
387.02628	18.4
387.08307	100.0
417.09528	11.8
433.06873	63.6
469.11899	10.2
470.70645	6.1
629.53363	5.7
780.41925	14.3
781.42413	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.5
57.03440	7.9
57.07040	1.1
61.02897	1.3
61.58783	0.5
67.05506	7.1
69.03435	5.4
69.07071	7.8
69.25996	3.0
70.31483	0.6
71.01347	0.9
71.04995	7.1
73.02916	7.5
73.06504	1.0
75.04482	37.2
75.04880	1.2
77.03886	0.5
79.05489	5.9
81.03367	1.7
81.07059	15.2
83.04987	12.5
83.05442	0.5
83.08563	2.1
85.02908	32.2
87.04469	1.1
91.03898	1.0
91.05476	6.2
93.07045	13.0
95.04909	1.8
95.08611	25.9
97.02897	8.2
97.06499	1.3
97.10170	9.7
98.22899	2.6
99.04411	2.1
101.06029	4.7
105.04491	0.7
105.07031	15.4
107.08595	20.9
107.53554	0.5
109.02860	3.0
109.06486	1.9
109.10162	17.6
111.04453	7.8
111.08064	3.6
111.11674	1.3
117.07020	3.9
119.08583	15.1
121.10146	12.5
123.11712	7.5
127.03933	6.6
128.06206	1.1
129.05484	7.4
129.06934	2.2
130.07712	0.5
131.07674	0.5
131.08574	9.3
133.10129	10.4
135.08003	0.6
135.11705	11.8
137.09598	0.9
137.13167	1.4
139.11136	1.6
141.06917	1.9
142.07753	1.4
143.07573	0.6
143.08568	8.9
144.09396	0.7
145.04967	10.0
145.10129	20.2
145.19185	0.5
147.06519	5.3
147.11690	12.8
149.09537	1.4
149.13263	11.4
151.11174	3.6
155.08545	5.0
156.09290	1.1
157.08876	0.8
157.10132	14.4
159.10388	0.7
159.11690	10.3
161.13252	6.6
161.48703	0.6
163.06035	2.8
163.11122	1.6
163.14795	4.8
165.12714	2.6
167.08574	0.7
169.10121	10.3
170.10826	0.7
171.10403	0.6
171.11702	9.0
172.12273	0.8
173.13254	13.9
175.11211	0.8
175.13400	0.6
175.14828	7.7
177.12733	2.2
177.16425	2.9
179.14270	1.1
181.10065	1.1
182.10941	0.8
183.11699	7.1
185.11958	0.5
185.13257	5.8
187.14824	26.8
188.15092	0.8
188.31941	0.5
189.12718	1.0
189.16344	4.7
191.14290	1.2
193.15871	5.3
195.11664	2.2
195.13730	1.6
197.13281	5.5
199.05966	1.4
199.14810	6.0
201.16379	10.6
203.14293	1.3
203.17909	1.8
205.15883	10.0
207.11765	1.1
207.17413	2.2
209.13211	2.3
211.14809	5.2
213.16386	11.1
213.18408	0.8
215.14294	1.2
215.17920	6.2
217.07001	1.3
217.15834	1.8
217.19492	1.5
219.17387	1.6
223.14763	2.0
223.16812	1.0
225.16339	6.5
227.17957	8.5
229.15956	1.2
229.19475	1.3
231.17451	1.8
233.18948	2.4
237.16344	2.7
239.17947	7.2
241.19522	11.3
243.17484	0.7
243.21071	1.0
245.18967	2.5
247.20674	1.0
251.17952	9.4
253.19522	12.8
255.08644	1.2
255.21033	2.5
257.19016	0.8
257.22723	0.6
259.20566	3.1
263.20169	1.2
265.19565	4.8
267.21118	8.9
269.19034	0.7
269.22452	1.5
271.20679	3.0
273.09665	2.1
277.19278	0.9
279.21112	2.4
281.22598	2.0
283.20627	4.2
285.22156	3.4
291.20938	1.0
293.22644	0.8
297.22180	1.1
299.23758	1.1
305.22574	1.0
349.28976	1.2
361.28958	3.0
379.29822	1.7
389.31903	4.4
397.31049	4.8
401.32193	3.1
407.27921	1.2
407.33090	16.7
408.33279	0.7
409.35034	0.6
411.32678	1.3
419.33087	31.2
420.33194	1.2
425.34238	1.8
437.34158	86.7
438.34634	5.0
439.35379	0.9
455.35211	100.0
456.35562	3.6
565.38336	0.8
583.40021	1.8
593.24323	0.6
601.41034	1.1
617.40326	1.1
726.80011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4727
Annotation	Depressoside C
Peak:m/z	Relative Intensity
55.01869	1.6
55.05509	10.6
56.02906	0.7
57.03434	18.1
57.07076	1.0
61.02929	3.9
67.05498	6.3
69.03421	8.3
69.07064	7.1
69.42565	2.7
70.06602	0.7
71.04985	10.5
73.02910	15.2
73.06511	0.7
74.80295	0.6
75.04475	72.7
79.05472	4.3
81.03407	3.0
81.07055	15.0
83.04975	19.3
83.08613	2.5
85.02899	50.1
87.04462	2.2
88.76100	0.6
91.03954	1.4
91.05482	5.2
91.05953	0.8
93.07044	11.5
95.04964	1.7
95.08600	23.7
97.02882	11.8
97.06550	1.0
97.10168	8.8
99.04459	3.2
101.06007	7.2
105.07027	13.9
107.08588	17.2
109.02876	4.2
109.06503	1.1
109.10156	16.1
111.04434	11.1
111.08062	4.1
111.11745	1.2
117.07024	3.6
119.08564	14.2
121.10144	15.0
123.08066	1.2
123.11696	5.7
127.03907	10.9
128.06186	1.1
128.83907	0.8
129.05475	12.0
129.07043	2.0
130.07861	0.6
131.08553	7.8
133.10107	11.1
135.11693	11.6
137.09712	0.8
137.13254	1.2
139.11163	1.5
141.06935	0.8
142.07825	0.8
143.08571	6.6
145.04950	17.5
145.10114	17.6
147.06523	8.3
147.11679	13.3
149.13263	10.7
151.11142	3.6
154.30109	0.7
155.08508	5.1
156.09242	1.7
157.10115	11.6
159.11688	9.9
161.13264	6.0
163.06003	4.0
163.11110	0.8
163.14813	3.3
165.12758	2.5
167.14375	0.9
168.09314	0.9
169.10123	11.3
171.11690	7.9
173.13245	10.5
175.14821	6.2
177.12770	1.9
177.16388	2.8
179.14456	1.0
181.10118	1.4
182.10852	0.8
183.11707	5.0
185.13226	5.0
187.14809	24.2
189.16449	2.4
191.14307	1.2
191.91339	0.7
193.15860	6.0
195.11719	1.1
195.13719	1.1
196.12386	0.8
197.13234	4.8
199.06026	1.8
199.14749	4.0
201.16365	8.0
203.14333	0.8
203.17963	1.6
205.15848	11.2
207.17477	2.9
209.13304	1.5
211.14778	5.0
213.07726	0.8
213.16365	9.3
215.14323	1.1
215.17877	4.5
217.07117	2.2
217.15924	1.2
217.19586	1.2
219.17412	1.1
223.14877	1.6
223.16919	1.3
225.16357	4.8
227.17924	6.7
229.15852	0.8
229.19649	1.6
231.17523	1.2
233.18944	1.7
237.07500	0.9
237.16322	2.5
239.17993	6.8
241.19507	9.4
245.19067	1.6
251.17906	8.5
253.19507	13.5
255.08598	3.0
255.21191	2.0
257.18848	1.3
259.20566	2.4
263.20264	1.0
265.19461	5.0
267.21060	7.1
269.19034	1.2
269.22601	1.3
271.20688	2.6
273.09656	2.7
279.21072	2.0
281.22650	2.6
283.20599	2.9
285.22174	3.2
287.23932	0.9
291.21008	1.3
305.22681	0.9
309.11761	0.9
323.73895	0.7
361.29025	2.1
363.26450	0.8
379.29919	1.3
389.32172	3.5
389.36560	0.7
397.31073	4.5
401.31793	2.6
407.27936	1.4
407.33078	15.3
411.32639	1.3
419.33087	28.0
420.33728	1.0
425.34134	1.1
437.34125	68.1
438.34589	2.5
455.35175	100.0
456.35342	5.6
473.61615	0.8
595.71277	0.8
601.41016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03432	0.9
65.03944	1.8
67.05492	1.0
69.03411	1.1
69.07049	1.0
69.09793	5.2
70.06602	1.4
71.04966	0.8
78.04714	1.5
78.70817	0.6
79.05482	2.8
81.03404	0.7
81.07074	1.2
84.08112	0.7
85.02879	0.9
86.09684	0.9
87.04420	0.7
91.05469	8.8
91.42210	0.7
93.03400	1.3
93.07015	2.0
95.04968	2.6
97.06503	1.6
103.05454	2.0
105.07019	2.4
106.04215	1.0
107.04945	5.6
107.08540	0.8
108.05756	1.7
109.06493	0.9
110.03636	1.6
111.04425	3.0
115.05477	1.2
117.07012	1.5
118.04119	0.9
119.04931	6.3
119.08552	0.8
121.06470	3.5
121.24688	0.8
123.04422	3.0
124.05170	1.3
125.05988	3.4
128.06163	1.4
129.06989	1.9
131.04889	2.8
131.08539	1.4
133.02853	2.0
133.06456	1.7
135.04471	0.9
136.05185	4.1
137.05959	8.5
139.03903	0.9
143.08534	1.6
144.05655	0.8
145.06483	3.4
145.10129	1.0
146.07257	2.4
147.04407	4.1
147.08012	1.5
149.05984	1.7
150.06573	0.8
151.07529	75.4
152.07925	1.8
153.05432	7.9
157.06496	1.9
158.07249	1.7
159.08020	3.3
160.08820	0.9
161.05928	1.7
161.09569	1.1
162.06764	2.5
163.07494	2.1
164.04764	0.7
165.05434	1.6
165.09116	4.6
166.07748	0.8
167.07024	58.5
169.06453	1.6
171.08003	2.6
172.08829	6.8
173.05925	2.7
173.09639	1.9
174.06712	4.3
174.10326	1.2
175.07558	3.0
176.08322	2.3
177.05469	1.4
177.09073	12.6
177.69043	0.7
179.07024	7.6
179.10756	1.2
179.48540	0.7
181.08578	2.4
183.08005	1.1
184.08859	2.7
185.05949	1.2
185.09653	1.4
187.07561	1.8
188.08290	11.2
189.09076	9.2
190.09880	1.1
191.10641	2.1
193.08597	2.3
195.08076	1.4
200.08284	2.1
201.09076	8.1
202.09839	1.1
203.10645	17.6
205.08612	1.5
205.12198	2.6
207.10095	6.8
208.08803	1.3
209.09726	1.2
210.10324	2.0
215.10654	27.4
216.09637	0.8
216.11378	4.2
217.08562	0.9
217.12251	2.3
219.08093	1.1
219.10095	0.8
221.09599	2.0
221.11636	1.1
222.10432	0.8
224.08502	0.8
225.09106	1.4
226.09813	2.6
227.10664	1.4
228.07964	0.7
231.08054	1.5
233.09619	1.8
233.11702	21.5
235.07426	0.9
235.11223	1.3
236.11919	1.7
237.09009	1.7
238.09872	1.8
239.10660	3.8
241.08530	1.6
241.12167	5.1
245.09637	1.3
246.10429	3.0
247.07597	2.3
247.10869	0.7
248.08395	1.7
249.09033	2.9
250.09911	1.6
251.10689	3.6
252.11522	1.8
253.12244	2.7
254.09250	1.9
259.07581	1.3
260.08273	0.8
261.09042	7.3
262.09848	6.6
263.06851	1.1
263.10739	4.1
264.07764	1.1
264.11539	1.5
265.08545	1.1
265.12213	3.5
267.10461	0.9
267.13760	5.0
269.11813	1.7
273.08966	0.8
274.09848	1.8
275.07025	1.7
275.10605	1.5
276.11472	0.8
277.08914	4.0
277.11993	4.9
278.09595	1.1
278.13052	2.8
279.10083	4.8
280.10846	1.4
281.11740	1.7
285.11200	3.2
289.08453	1.1
290.09311	2.8
291.10147	5.1
292.10956	1.8
293.11591	5.7
294.09290	0.8
294.12454	2.9
295.13379	5.4
297.14813	1.1
304.11142	0.9
305.11713	17.5
306.12463	3.0
307.09637	2.3
309.11139	2.2
309.14835	6.7
310.11920	1.4
311.12924	1.9
312.13620	0.9
312.70770	0.8
319.13284	1.2
322.11960	1.8
323.12836	4.6
324.13608	1.6
325.14420	3.1
327.15857	21.0
328.16397	0.9
337.10559	1.1
337.14319	11.5
340.13068	1.3
343.15390	1.7
345.17102	3.8
355.15359	100.0
356.15750	1.8
369.17108	3.6
369.21152	0.8
373.16412	70.9
373.19870	2.6
374.16702	2.6
387.18073	8.2
403.21106	1.4
405.19086	5.3
514.53888	0.7
529.72729	0.8
535.23218	1.8
662.23584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
57.03428	2.5
61.02921	2.2
61.42199	0.5
68.99791	1.3
69.03428	11.2
70.06597	1.5
71.04977	2.3
72.08144	0.6
73.02910	2.2
74.04663	0.5
75.48354	0.5
79.05483	1.3
81.02967	0.8
81.03417	13.9
81.07048	1.3
83.01369	0.6
85.02902	29.3
86.09682	0.9
87.00341	0.9
87.00828	9.6
87.04475	0.6
91.03951	1.3
91.05482	1.5
92.18664	0.5
93.03414	0.8
93.07029	0.7
94.04177	1.7
97.02896	13.7
99.04446	5.5
103.05447	0.8
105.01865	8.7
107.04982	0.8
107.08561	0.5
107.98119	0.6
109.02876	14.1
109.06519	1.4
109.25402	0.5
111.04435	1.0
115.03918	1.3
115.05446	6.1
117.01834	1.7
117.06998	1.6
119.04961	0.7
120.58073	0.5
122.03653	4.7
125.05988	1.1
127.03912	22.7
128.06219	0.8
129.01842	1.5
129.06999	4.5
131.04938	3.4
132.05701	0.9
132.23936	0.5
133.02893	0.9
136.07686	0.7
137.05971	100.0
138.06302	1.9
143.04919	10.0
144.05681	1.6
145.04962	11.8
145.06427	1.6
147.02809	0.8
147.08040	0.6
149.05997	1.4
151.03917	1.6
151.07532	2.3
153.05472	2.4
157.06467	5.4
159.02895	7.2
159.08044	0.7
160.03833	0.9
160.05180	14.1
161.05948	3.7
162.75990	0.6
163.07500	3.3
165.05490	0.9
172.05177	2.4
173.05888	0.8
174.06761	3.3
175.07538	98.0
176.07932	1.9
177.03989	0.8
177.05460	1.2
177.09117	1.0
177.16393	0.5
185.05991	0.7
187.07535	39.0
188.08113	1.1
189.04044	0.9
189.09091	8.6
191.06982	0.6
191.08577	1.3
199.07553	2.5
201.09146	1.3
203.08563	1.6
205.06664	1.3
205.08589	20.7
208.08984	0.6
211.07590	2.4
213.03935	2.1
213.09064	0.5
217.08589	6.9
219.08029	2.2
219.10130	2.3
231.04987	7.6
231.08080	3.2
232.08589	0.9
235.09633	40.5
237.08849	0.6
239.07031	2.1
240.07753	1.3
241.08336	0.9
247.07484	2.4
248.08237	3.3
249.05989	0.8
249.09204	1.2
251.10661	2.9
255.06548	1.4
256.07269	1.5
259.07507	1.5
261.09186	1.0
263.10739	4.0
265.08524	1.2
270.08893	3.7
271.09616	7.7
276.07791	2.4
277.08658	1.0
279.07413	0.9
279.10068	4.2
283.09616	2.4
291.10114	10.3
292.10690	1.2
293.07999	1.5
293.11597	0.6
295.09863	0.7
296.10312	1.2
297.10846	0.9
308.10446	1.5
309.11050	0.7
311.12750	10.0
323.12769	15.4
325.14352	4.4
333.11115	0.6
335.12704	0.7
341.13828	42.1
342.14185	1.6
343.15054	0.7
353.13556	0.6
357.13269	2.1
365.13599	0.7
374.79257	0.7
504.35214	0.7
541.17041	1.0
559.17822	0.9
787.27191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89273	0.3
62.47266	0.3
81.03448	0.3
84.01904	0.5
91.05508	0.4
95.01118	1.2
96.01902	0.4
98.23485	0.9
111.04208	2.4
113.02149	1.5
121.06541	0.8
126.02915	0.4
137.05975	0.8
151.07610	1.3
159.04256	0.7
167.03255	0.7
167.07068	0.5
174.06572	1.7
175.03815	0.6
177.05472	0.5
185.04221	3.0
189.05215	41.2
201.03755	0.7
203.05244	2.3
203.06934	0.3
207.06444	0.6
219.10217	0.6
225.80975	0.4
287.05396	0.5
352.48978	0.4
352.53561	0.4
381.12897	0.4
399.18030	0.4
413.15659	4.4
414.15961	0.4
428.18063	4.9
429.18942	3.2
577.24133	3.3
597.48462	0.4
636.19153	0.4
787.31403	100.0
788.31671	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	1.5
56.16290	0.4
57.03397	0.6
61.02897	1.0
65.03927	0.5
67.05495	2.6
69.03385	1.2
69.07035	1.0
69.61950	1.6
73.02866	1.6
79.05445	1.4
80.05009	0.4
81.03389	0.4
81.07060	1.9
85.02860	1.1
91.03900	0.4
91.05497	2.1
92.04996	4.8
93.05734	1.1
93.06999	1.5
94.06514	0.9
95.04955	0.5
95.08559	1.7
97.02817	1.1
105.07006	0.8
106.06534	2.2
106.50574	0.4
107.08575	0.9
117.05718	1.2
118.06539	16.7
118.36455	0.4
119.07341	2.1
119.08562	0.5
120.08031	1.5
121.10147	0.5
130.06480	1.4
131.07300	0.8
131.08557	0.5
132.08098	2.6
134.09637	1.0
144.08037	0.9
146.09619	1.1
160.11188	0.7
162.09132	18.6
163.09924	5.1
164.10666	0.9
174.40805	0.4
176.10739	1.9
176.12010	0.4
202.15886	4.7
218.15245	0.5
230.15387	34.8
231.15738	0.6
248.16368	1.8
262.18039	1.2
274.17908	1.5
292.19052	91.0
293.19415	2.6
298.39432	0.4
304.18991	1.2
322.20178	0.5
332.22061	1.1
340.16843	0.4
348.21759	3.0
359.54422	0.4
363.32477	0.4
365.31882	0.5
371.71643	0.4
510.26913	8.0
572.16840	0.4
626.43994	3.5
788.49316	100.0
789.36420	0.5
789.49792	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03421	1.3
57.06465	0.3
61.02914	1.3
66.04710	0.3
67.05497	1.2
68.99783	0.5
69.03420	5.6
70.06581	0.5
71.04985	1.0
71.45495	0.3
73.02892	1.0
74.84258	0.3
79.05478	1.3
81.03412	5.9
81.07034	0.7
82.50179	0.3
83.04969	0.6
83.45113	0.3
85.02895	15.9
85.06512	0.7
87.00829	6.7
91.05464	2.1
93.07041	0.8
94.04198	2.1
95.04960	2.3
95.08597	4.1
97.02886	6.4
99.04449	2.1
102.73588	0.4
103.05456	5.1
103.95374	0.3
105.01856	6.6
105.07022	3.2
107.04954	1.2
107.08568	0.7
108.05653	0.3
109.02869	7.3
109.06527	1.7
110.07151	0.3
111.04437	1.4
113.05976	0.5
115.05445	0.8
117.01857	0.8
117.06986	1.1
119.04917	0.8
119.08575	1.2
121.06489	3.4
122.03642	4.5
123.08077	2.4
127.03912	9.8
128.06229	1.0
129.01863	0.3
129.06967	1.0
131.04912	8.4
131.08582	0.6
133.06477	16.3
135.08032	5.5
135.11713	0.7
137.05963	100.0
138.06308	1.3
141.06966	0.9
143.04922	0.7
143.08543	1.6
144.05556	0.4
145.04961	3.7
145.06453	3.1
147.04430	0.4
147.08035	1.4
147.11664	0.6
149.05981	1.3
149.09586	2.0
151.07518	7.4
157.06502	2.2
157.07599	0.4
159.02876	1.4
159.08058	0.8
160.05132	0.8
161.05965	3.1
161.13232	0.8
163.07530	26.1
165.09082	0.8
165.12723	0.6
169.06483	0.7
171.08000	2.0
173.06012	0.6
174.06766	1.2
175.03922	0.4
175.07526	3.6
177.09077	1.0
179.06972	0.5
181.08583	2.0
186.06801	0.4
187.07489	2.3
188.08299	1.0
189.03888	0.4
189.09071	4.0
189.12746	1.0
197.04401	0.7
201.09059	1.3
203.07072	0.6
203.10629	4.7
207.09990	0.4
207.13776	6.5
213.03908	1.1
217.08453	0.4
219.10117	1.9
221.11691	0.9
225.14825	2.0
229.08444	1.9
231.05045	2.8
235.11154	0.9
245.09808	0.5
247.09579	0.7
249.06038	1.0
263.10617	1.6
267.09863	0.4
295.13251	10.6
323.12595	0.8
325.14188	0.6
327.15875	36.6
328.16183	1.2
342.12778	0.4
345.16965	8.9
346.17133	0.5
351.15881	3.2
353.13876	0.6
369.16879	6.2
387.19019	0.4
393.16879	0.7
411.17993	3.3
417.16852	1.2
435.17944	3.4
453.19055	2.4
455.78024	0.3
471.20114	0.9
539.18927	0.8
557.19446	0.5
641.44141	0.3
812.68060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.5
56.66751	0.7
57.03437	11.6
57.07072	3.0
61.02924	2.8
65.03930	3.0
67.05505	69.8
69.03413	1.5
69.07069	15.9
71.04959	2.1
73.02909	1.0
77.03918	1.3
79.05493	38.5
81.03410	1.1
81.07059	66.5
83.04993	1.5
83.08623	9.0
85.02886	2.2
85.06519	2.0
91.04939	1.8
91.05478	24.9
93.07043	49.6
95.04967	6.3
95.08604	51.6
96.04481	0.8
97.02856	1.0
97.06528	4.0
97.10188	4.3
97.25092	0.8
98.23422	2.7
99.08103	1.8
105.04502	2.8
105.07031	21.4
107.08591	27.4
109.06548	1.6
109.10154	22.5
111.08110	1.5
117.06993	6.3
119.08580	16.1
121.10138	23.0
123.08030	1.7
123.11719	8.9
125.09650	1.2
129.07001	1.9
131.08559	14.3
133.10135	16.1
135.11703	15.6
137.09674	1.2
137.13264	3.3
139.11143	1.6
143.08571	1.2
145.10123	8.3
147.11676	11.0
149.13246	11.2
151.14743	0.9
157.10080	2.1
159.11711	9.0
161.13269	10.2
163.14841	4.2
171.11713	2.0
173.13257	8.2
175.14835	3.1
177.16328	1.7
181.09833	0.9
185.13229	2.7
187.14854	3.6
189.16385	1.1
199.14804	1.9
201.16301	1.4
230.24750	0.9
231.21117	0.8
241.19502	3.1
241.21962	0.8
243.21115	6.3
252.07922	0.9
259.20474	6.9
261.22137	16.2
263.23758	2.0
267.27966	0.8
279.23093	1.2
287.23633	1.0
317.24698	2.7
333.24243	6.5
335.25803	100.0
336.26123	3.3
337.27435	10.7
347.46710	0.9
521.43182	2.4
535.12347	1.0
595.47382	14.0
596.46967	1.2
613.48218	13.3
713.71967	0.9
754.92688	1.1
795.83130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
60.37826	0.9
61.02927	5.4
67.05508	4.6
69.03437	3.2
69.07083	1.1
69.69583	1.7
69.69902	1.6
73.02922	2.6
79.05503	2.8
81.07065	3.8
82.15743	0.8
82.52110	0.9
83.24633	0.9
85.02901	4.1
90.32344	1.0
91.03945	1.2
91.05473	1.2
93.07051	3.8
95.08627	2.6
97.02919	3.7
98.22746	1.6
99.04483	1.1
101.02374	0.9
101.16678	0.8
105.07040	1.2
109.10190	1.3
116.01173	0.8
121.10159	1.3
127.03951	0.9
129.11093	0.9
145.10187	0.9
196.81354	0.8
304.86627	1.1
519.29340	9.0
663.09619	0.9
797.51678	100.0
798.51923	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19566	0.4
69.89954	0.4
69.90282	1.2
77.68060	0.4
79.41076	0.4
83.47518	0.4
86.86478	0.4
163.80653	0.4
205.67760	0.4
247.88335	0.4
403.07883	37.7
404.08356	1.1
419.05276	26.9
419.10999	100.0
420.06201	0.8
420.11246	3.1
444.10532	0.9
460.13660	1.6
652.72687	0.5
656.36115	0.4
717.80518	0.5
766.70404	0.5
799.37347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
64.77609	0.3
69.03433	1.7
69.07092	0.4
69.89538	0.8
69.89883	0.6
70.06584	0.4
73.02929	2.2
78.94635	0.3
82.00324	1.1
83.85905	0.3
85.02932	1.0
87.04472	0.4
91.05521	0.3
92.32481	0.3
95.01125	0.5
97.02903	1.1
105.07072	0.4
109.10162	0.4
115.04008	0.4
123.01292	0.3
132.39696	0.4
133.10188	0.4
134.08191	0.4
147.94934	0.4
153.01704	0.4
155.03169	1.7
156.03967	0.5
173.04259	0.8
229.06825	2.4
253.06776	1.7
269.06293	6.8
271.07886	7.2
271.10587	0.5
286.06549	2.6
287.07361	7.0
317.11560	0.4
383.10846	0.4
401.10513	2.9
403.07883	22.0
404.08133	0.8
419.11588	26.1
420.11951	0.8
437.34479	0.5
455.35541	0.5
468.68005	0.4
667.15704	0.6
716.92340	0.5
799.20465	100.0
800.20911	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
67.05495	0.3
69.03062	0.6
69.03432	10.3
69.07090	0.2
69.08778	1.9
71.01350	0.5
71.04993	0.5
73.02918	0.6
81.03429	2.0
81.07076	0.3
83.04987	0.8
85.02905	9.6
87.04473	2.3
91.03930	0.3
95.04983	0.5
97.02896	8.0
99.04460	3.8
101.02442	0.3
103.03941	2.9
105.07020	0.4
109.02892	1.2
109.10186	0.4
111.04472	0.6
115.03927	4.4
119.04945	0.4
127.03914	4.7
133.04965	0.8
137.06065	0.3
139.03908	0.8
145.04982	1.9
147.04431	0.3
151.07524	0.6
156.29756	0.3
157.05016	1.3
159.04285	0.4
159.11644	0.3
163.06030	1.2
165.05421	0.3
171.28552	0.3
172.19908	0.3
175.03848	0.3
175.06029	1.0
184.12447	0.3
206.07236	0.8
207.06508	0.7
211.05949	0.4
219.08109	0.3
221.06067	0.3
229.07042	1.3
233.05969	0.9
234.06764	3.2
235.07567	1.1
236.08316	0.6
241.07103	0.3
246.06827	0.6
247.07774	1.2
248.08321	1.0
249.09056	1.5
251.07059	0.5
251.10716	0.6
261.05536	0.4
261.85666	0.3
262.06238	1.8
263.07101	1.9
264.07825	0.9
265.08685	0.6
266.09229	0.4
267.10260	0.4
274.06213	0.5
275.07156	0.5
276.07843	0.8
277.08627	11.0
278.09302	1.2
279.07379	0.4
279.10147	2.1
289.04974	0.3
289.09180	1.9
290.05707	0.7
291.06509	2.6
292.07315	0.6
293.08041	0.5
294.09033	0.8
295.09604	0.8
302.05603	0.5
304.07272	0.3
305.08084	10.5
306.08557	0.6
307.06299	0.5
307.09634	2.5
308.07040	0.3
309.11288	1.5
319.06027	3.5
320.06677	0.6
321.07623	0.4
323.09186	1.9
325.10748	0.3
333.07581	12.7
335.09106	3.2
337.10736	6.5
351.08640	8.3
363.08624	12.5
381.09683	100.0
382.10083	2.8
391.12180	0.4
513.07178	0.5
513.13947	4.6
579.23999	0.3
600.76379	0.3
754.70691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83685	0.2
85.02906	0.2
95.48106	0.2
111.31628	0.2
121.06490	2.2
136.07574	11.4
137.06039	0.3
137.07892	0.2
149.05998	0.4
162.09148	0.3
163.07547	0.2
165.71338	0.2
176.06976	0.9
177.07784	1.0
190.08624	0.9
202.08549	0.2
219.60425	0.2
237.09145	0.2
254.11713	0.8
255.12570	0.5
263.10263	0.7
266.11850	0.2
268.09802	0.8
268.13287	0.6
269.14081	0.3
270.14920	0.2
281.11316	2.4
282.11179	0.7
283.12012	4.7
284.12143	0.2
296.12909	0.4
297.13565	2.7
298.14359	100.0
299.14691	2.9
378.10046	18.9
379.10291	0.6
514.45270	0.2
563.03223	0.2
814.13623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.7
58.48558	0.1
59.05005	0.8
61.02928	1.3
66.27677	0.1
67.05507	0.3
69.03425	19.4
70.38774	0.2
70.39119	0.2
71.01361	0.9
71.04984	0.4
73.02914	5.2
75.04485	0.4
79.05483	0.3
81.03414	2.0
83.01344	0.6
83.04966	1.0
85.02900	12.3
87.04461	6.1
91.03944	0.4
91.05492	0.3
95.04971	0.5
97.02887	20.0
98.23432	0.1
99.04446	1.4
101.02367	0.2
103.03937	1.0
107.04955	0.3
109.02883	0.6
109.06458	0.1
111.04450	1.5
113.02366	0.5
115.03921	11.2
117.05496	0.7
119.04936	0.2
121.93211	0.1
123.04436	0.5
125.02373	0.3
127.03910	1.6
130.50227	0.1
131.04967	0.1
133.04959	6.6
135.04410	0.5
137.02367	0.2
137.05951	0.3
139.03886	0.9
143.03401	0.2
145.04958	1.0
147.04445	0.2
148.69582	0.1
149.02333	0.2
149.04466	0.4
151.03896	0.8
153.05486	0.3
157.04958	1.9
161.04495	0.1
161.18356	0.1
163.03934	0.5
165.05496	0.6
165.06802	0.1
169.05011	0.4
175.06021	0.5
177.06996	0.1
178.07788	0.2
181.04955	0.3
187.05923	0.3
189.07034	0.2
193.04987	0.5
199.06027	0.2
203.06993	0.2
205.06544	0.4
205.08549	0.2
206.07266	1.1
207.08096	0.3
209.06027	0.2
209.10994	0.1
211.06003	2.2
216.05733	0.3
217.06734	0.3
218.07263	0.3
219.08028	0.4
220.08679	0.2
221.05836	0.2
222.06752	0.2
229.07043	2.4
232.05156	0.2
233.05954	1.3
234.06711	2.6
235.07510	1.2
236.08276	0.4
238.06468	0.1
239.10744	0.3
241.07138	0.2
244.05272	0.2
245.05977	0.2
246.06740	0.5
247.07903	2.1
248.04771	0.2
248.05988	0.2
248.08246	1.1
249.05421	0.2
249.06320	0.2
249.09077	1.9
250.06453	0.2
251.07065	0.4
251.10638	0.5
261.05469	0.5
262.06216	2.1
263.07022	1.7
264.07782	0.9
264.83813	0.1
265.08939	0.8
266.09418	0.2
267.10236	0.3
270.56659	0.1
274.06287	0.5
275.06912	0.3
276.07755	1.0
277.05460	0.3
277.08563	8.8
278.09299	0.9
279.06714	0.4
279.10153	2.1
280.07239	0.2
289.04959	0.4
290.05756	0.8
291.06503	2.3
292.07126	0.8
293.08096	0.4
294.08743	0.6
295.09708	0.8
302.05795	0.2
304.07217	0.3
305.08051	10.1
306.05435	0.2
306.08694	0.5
307.06348	0.2
307.09616	2.4
309.11200	1.7
319.05966	3.0
319.09378	0.2
320.06726	0.8
321.07547	0.3
322.08206	0.2
323.05557	0.2
323.09088	1.9
325.10681	0.5
332.06677	0.2
333.07535	12.5
334.08026	0.4
335.09131	3.2
336.05975	0.2
336.09772	0.2
337.10654	5.7
338.11203	0.2
349.06992	0.3
351.08591	8.0
352.08624	0.2
353.10019	0.3
363.08588	11.2
364.09015	0.4
371.15359	0.2
381.09641	100.0
382.09943	3.3
405.09396	0.2
459.10489	0.2
477.11838	0.2
495.12677	0.5
513.13849	1.6
645.17603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.9
61.02927	6.9
67.05508	0.7
69.03428	13.2
69.07058	0.4
71.01367	0.5
71.04995	6.2
73.02917	8.2
73.06541	0.5
75.04482	39.2
76.04824	0.4
77.82843	0.4
79.05509	0.5
81.03419	5.6
81.07060	0.5
83.01355	0.6
83.04978	12.0
83.08621	0.4
85.02905	100.0
87.04468	2.8
91.03962	5.9
95.05003	0.3
95.08639	0.5
97.02895	23.9
98.05990	0.4
99.04446	4.2
101.02386	0.7
101.06013	4.9
103.03925	0.5
105.07013	0.5
109.02882	7.6
111.04438	7.8
115.03967	0.7
117.03391	0.4
117.07020	0.4
127.03915	27.0
129.05478	8.7
134.08134	1.1
145.04959	48.7
147.06517	9.7
147.81194	0.3
151.03952	0.7
151.07574	0.5
163.06017	27.4
163.11186	0.5
175.20097	0.4
177.05511	2.4
181.05025	0.8
199.06024	2.3
217.07054	3.4
237.07579	1.5
253.07251	0.5
255.08698	2.4
271.08228	1.0
273.09695	8.2
289.09222	2.4
291.10748	4.3
293.21033	0.9
309.11786	17.4
325.11279	24.3
338.09009	0.4
422.00800	0.4
423.24033	0.4
471.17358	0.6
602.28961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	18.1
59.04997	4.6
60.04514	2.3
61.02931	4.0
67.05506	13.0
68.99806	2.0
69.03428	90.5
69.07063	4.9
69.34077	7.3
71.01360	1.9
71.04993	4.7
72.17292	1.6
72.34303	1.7
73.02920	5.0
75.04498	1.8
79.05502	13.3
81.03407	19.1
81.07054	76.2
82.07356	2.6
83.04998	4.8
83.08588	1.7
84.08089	1.4
85.02905	100.0
87.00826	32.4
87.01328	2.7
87.04466	35.2
87.16284	1.6
91.03963	1.8
91.05481	12.4
93.07049	27.1
95.04974	10.7
95.08602	44.1
97.02889	73.6
97.06551	3.9
97.10131	3.6
99.04444	12.0
103.03912	2.2
103.05410	1.9
103.63634	1.8
105.01862	66.8
105.07028	33.5
107.04955	2.9
107.08595	25.4
108.87612	1.7
109.02876	22.7
109.06525	3.8
109.10141	13.1
111.04467	4.2
111.08110	2.2
113.06029	2.2
115.03927	62.2
117.07023	3.8
118.22036	1.7
119.04958	2.3
119.08578	51.1
121.06516	4.0
121.10139	14.8
123.04473	2.5
123.08090	4.0
123.11702	21.8
125.06021	2.1
127.03909	57.6
129.05533	1.8
129.06996	2.5
131.08571	9.0
132.05249	2.1
133.04962	43.0
133.10133	25.6
135.08054	4.4
135.11646	14.8
137.05951	3.5
139.03845	2.1
139.07552	1.9
142.07751	1.6
143.08606	5.2
145.04958	23.6
145.10097	10.1
147.08064	3.4
147.11700	14.1
149.05995	4.0
149.09608	1.8
149.13278	1.7
150.07649	3.8
153.09113	3.0
155.08539	2.4
157.10117	9.7
159.02924	5.9
159.06493	1.5
159.08025	3.6
159.11676	12.9
161.09625	4.5
161.13243	39.7
162.07640	2.0
163.07558	1.9
163.11159	2.2
163.43318	1.6
165.09067	1.7
169.10139	4.6
171.11693	3.5
173.09662	2.4
173.13290	2.9
175.11237	2.6
177.05428	2.8
185.13287	3.3
187.11217	3.7
187.14871	3.9
189.03920	3.0
189.09203	2.3
189.16370	68.5
193.04854	1.6
197.13260	2.4
199.11055	2.7
199.14799	4.1
201.12842	2.1
203.18005	1.9
213.03922	4.4
213.16325	3.5
215.10594	3.1
215.14305	2.9
217.15889	18.2
220.90361	1.9
223.05885	3.9
231.05003	27.9
231.17474	2.4
235.16920	66.9
236.17274	2.4
241.07014	5.7
241.15868	1.9
249.06068	33.9
259.08148	3.5
259.16861	7.8
277.18073	3.3
283.16885	2.0
285.18698	2.6
294.11734	1.9
295.09924	2.5
301.18005	4.3
313.17929	8.7
321.20441	2.2
325.17960	6.7
327.07004	7.9
331.19028	11.0
343.19217	2.6
345.08124	23.3
349.20065	11.9
358.24884	1.9
361.19846	4.4
363.09109	6.6
379.21347	1.9
381.10336	4.0
393.10147	3.6
447.20227	5.1
465.21152	3.1
812.55524	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01956	0.5
69.03425	0.6
69.82706	1.5
70.59423	0.4
81.03418	0.8
81.07048	0.9
85.02886	1.3
91.05453	0.6
95.05011	0.5
97.02899	1.1
99.04431	0.5
107.04960	0.4
107.08550	0.4
127.03905	1.3
127.58306	0.4
129.00954	0.4
151.64044	0.4
153.01613	0.5
165.05470	0.9
273.06152	0.7
361.06805	5.8
371.05420	1.3
403.07748	1.8
409.21786	0.5
421.08926	100.0
422.09360	2.9
462.11252	0.7
819.36932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04501	1.2
85.02330	0.5
95.02014	0.5
100.60887	0.5
104.20747	0.6
105.67278	0.5
116.13114	0.5
150.40834	0.5
189.06853	0.6
219.61108	0.5
233.05962	2.3
235.07568	1.7
247.07584	1.7
248.08336	1.8
249.09067	1.0
260.08325	2.9
261.05573	1.7
262.06232	1.0
262.09930	2.6
263.07004	2.9
263.10706	0.7
265.05191	0.6
274.06189	1.5
275.06924	3.0
276.07739	3.5
277.08539	1.5
278.09354	2.7
282.08853	0.8
288.07776	1.7
289.05212	1.1
289.08597	4.8
290.09317	1.6
291.06531	2.5
291.10144	1.7
292.07217	0.8
293.08368	1.2
293.11646	7.6
303.06503	3.8
304.07275	16.4
305.07977	6.5
306.05469	1.0
306.08881	3.0
316.07205	0.9
317.04630	2.5
317.07895	0.8
318.08823	2.0
319.09616	45.0
320.06735	0.8
320.10309	9.5
321.07617	0.9
321.11115	6.9
332.06760	12.2
334.08249	1.5
335.05432	3.3
335.09167	5.4
336.09888	15.6
337.10300	0.9
347.09100	26.5
350.07721	2.7
350.11612	3.0
351.08783	0.8
351.12289	13.2
362.07745	3.0
363.08554	6.2
364.09457	1.1
365.10187	17.5
377.10138	7.6
380.08887	1.4
395.11240	100.0
396.11575	2.9
841.23187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.4
65.03942	3.8
67.05508	1.4
69.03426	1.6
70.06575	0.4
70.46920	0.4
71.04985	0.4
75.04482	2.1
77.03922	0.8
78.04703	2.2
79.05485	3.1
81.03418	1.5
81.07050	0.4
82.04192	0.7
85.02905	4.4
89.03905	0.9
89.06027	0.7
91.05470	7.1
91.06050	0.4
91.98491	0.3
93.03399	7.2
93.07050	3.4
95.04964	4.9
96.24576	0.4
97.02899	1.4
97.06538	2.1
103.05462	12.3
105.03392	1.1
105.04512	1.2
105.07024	4.2
106.04168	13.7
107.04951	6.1
109.02885	0.5
109.06510	0.9
110.03671	1.3
111.04446	0.9
115.05448	3.2
117.03437	0.5
117.07008	2.5
118.04156	2.7
119.04950	1.6
120.05740	0.5
121.06500	16.1
122.03656	0.4
122.26809	0.4
123.04457	2.3
123.08089	0.6
124.05209	1.1
125.05986	6.3
125.35677	0.4
127.03942	0.9
128.06218	0.6
129.07033	0.9
130.04129	0.5
131.04926	12.5
131.08517	0.5
132.05688	0.7
133.02837	1.1
133.06470	3.5
134.03629	3.3
135.04475	0.9
135.08069	0.7
137.05969	5.7
138.03085	0.6
138.06679	0.7
139.07576	1.9
141.07019	0.8
142.02603	0.4
143.04901	0.7
143.06018	0.4
144.05663	0.8
145.02840	0.7
145.06470	3.2
146.03616	0.7
147.04478	0.8
147.08069	1.3
148.05174	7.8
149.05972	25.2
151.03934	1.8
151.07475	2.2
152.04697	0.9
152.08235	0.4
153.05463	4.1
153.09085	7.4
155.05994	0.8
155.07079	0.6
157.06493	1.1
159.08066	1.3
160.05203	0.7
161.05962	4.4
162.06754	0.5
163.03928	1.5
163.07524	13.8
164.07834	0.5
165.05493	0.8
166.06229	0.7
167.07030	30.5
168.07410	0.5
171.06534	2.1
173.04535	0.5
173.05989	5.4
175.07539	2.0
176.04694	1.5
177.05455	16.5
179.07043	1.3
181.04953	42.1
181.08549	14.5
182.05223	0.7
187.07564	2.0
189.05357	0.6
189.09001	0.4
190.06154	0.8
191.07021	50.6
192.07539	1.3
193.04893	0.5
193.08591	2.4
195.06490	2.6
197.08034	0.4
201.05486	1.0
201.08972	0.3
203.07016	1.3
205.06747	0.5
205.08578	3.8
207.06430	1.8
207.08307	0.5
207.10179	1.1
209.08075	100.0
210.08434	1.4
217.08542	2.3
219.08154	0.8
219.10023	2.9
221.08073	1.0
225.07536	0.7
231.06306	0.5
233.08014	3.5
235.07466	1.0
235.09615	3.2
236.08263	0.7
237.09212	0.4
245.08076	1.3
247.07458	0.9
263.09143	11.5
265.08484	0.9
265.10870	0.5
267.10178	1.5
269.11774	0.6
279.10092	1.1
281.08066	0.7
293.08270	0.7
294.08902	0.5
297.11212	1.3
307.09500	0.8
325.10657	1.5
327.12021	0.5
329.13815	0.5
331.11664	0.6
331.94510	0.4
337.10519	0.6
341.12186	1.1
344.12436	0.5
357.13220	3.5
359.14911	0.7
367.11615	1.1
369.13168	1.0
371.14502	0.7
385.12711	5.6
387.14148	1.0
399.14236	2.4
401.15448	0.5
417.15399	23.5
418.15594	0.8
459.85031	0.4
579.20984	2.2
609.22705	0.6
646.23224	0.4
653.26843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.4
62.94743	0.4
65.03935	1.2
67.05488	0.8
69.03419	4.3
69.72638	0.4
73.02885	1.2
78.04695	0.8
79.05499	3.0
81.03407	0.6
81.07047	0.5
83.04955	0.6
85.02896	2.9
87.04449	1.7
91.05470	4.9
93.03415	0.4
93.06991	0.4
95.04971	1.5
97.02895	3.8
98.23486	1.0
103.05421	0.9
105.04494	0.6
105.07021	1.0
106.04161	0.8
107.04340	0.5
107.04965	5.5
108.05741	0.9
109.02848	0.5
109.06528	0.8
110.03632	0.4
111.04436	1.3
115.03899	2.5
115.05430	0.9
117.07008	0.9
119.04938	3.3
121.06493	2.6
122.03635	0.5
123.04424	2.3
123.08023	0.4
124.05199	1.5
125.05980	1.3
127.03921	0.4
128.06224	0.8
129.07005	1.1
131.04913	1.2
131.08528	0.7
133.02829	3.1
133.04958	1.5
133.06465	0.9
135.04422	1.0
135.08081	0.6
136.05231	1.8
137.05962	6.4
139.03920	0.4
139.07549	0.6
141.06960	0.7
143.04958	0.6
143.08543	1.1
145.06454	1.9
146.07274	1.7
147.04390	3.5
147.08008	0.8
149.05989	1.8
150.06715	0.5
151.07533	33.3
152.04640	0.8
153.05453	4.0
153.06734	0.5
154.07748	0.9
155.05957	0.4
155.07109	0.4
155.08418	0.5
157.06470	2.3
158.07249	2.2
159.08069	2.5
159.09123	0.4
160.08813	0.4
161.05983	1.4
162.06752	1.1
163.07515	1.3
165.05449	1.2
165.09105	5.0
167.07030	40.5
168.05637	0.4
168.07504	0.5
169.06456	1.5
170.07231	0.7
171.08052	2.5
172.08832	7.2
173.06003	3.4
173.09598	1.3
174.06787	2.7
174.10411	3.4
175.07555	1.9
176.08299	1.5
177.05528	0.7
177.09087	6.5
179.07036	3.7
179.10677	0.8
181.08624	2.4
183.07976	1.0
184.08809	5.4
185.05930	2.1
185.09546	0.7
186.06734	0.7
187.07520	1.2
188.08310	17.8
189.07269	0.7
189.09085	10.3
190.09842	1.2
191.10651	0.8
193.08586	2.4
195.08081	0.7
196.08762	0.4
199.07451	0.6
200.08333	4.1
201.09093	4.8
202.09856	1.4
203.10651	23.3
204.10979	0.8
205.06749	0.5
205.08554	1.5
205.12222	4.7
207.10178	1.7
208.08864	0.5
209.09689	0.5
210.10381	1.1
212.08282	0.5
215.10655	30.8
216.11397	1.7
217.08426	0.5
217.12186	1.0
218.07448	0.5
218.09370	0.6
219.08043	1.2
219.10027	0.5
225.09045	1.4
226.09758	1.2
227.10696	0.7
231.08061	0.9
231.10165	0.9
232.08708	0.4
233.11710	100.0
234.06720	1.5
234.12047	1.6
235.07413	0.5
235.11165	0.6
236.08180	0.5
236.11873	0.5
237.09079	0.4
238.09912	0.8
239.10675	1.4
240.11508	0.4
241.12106	2.0
245.09607	0.6
246.06766	0.6
246.10368	1.4
247.07623	1.8
247.11063	0.6
248.08450	0.7
249.09041	1.2
249.11281	1.3
251.10696	2.1
252.11411	0.6
253.08585	0.7
253.12012	0.5
254.09308	0.7
255.10208	0.4
261.09045	3.4
262.06253	0.4
262.07156	0.5
262.09885	3.0
263.07047	0.5
263.10614	2.1
264.07816	0.9
264.11450	0.5
265.08871	0.7
265.12286	1.0
266.09372	0.4
267.10147	0.7
267.13809	1.0
268.10608	0.3
272.10455	0.5
272.38235	0.4
273.09229	0.5
274.09866	1.1
275.12769	48.4
276.07907	0.5
276.13135	1.3
277.08572	5.4
277.12152	4.0
278.09225	1.3
278.12903	1.0
279.10065	2.6
283.09641	0.5
284.10330	0.5
285.11234	0.8
289.08527	0.9
290.09372	1.6
291.06723	0.8
291.10123	3.0
292.10657	0.4
293.11633	2.6
294.09445	0.4
294.12494	1.2
295.09882	0.7
295.13245	2.0
296.13840	0.5
297.11108	0.5
297.14893	0.5
305.08035	2.2
305.11703	8.8
306.12320	1.9
307.09775	1.9
307.12823	0.5
309.11197	3.0
309.14859	4.0
311.12726	0.7
319.06094	0.6
322.11920	1.0
323.09296	0.5
323.12741	1.7
324.13742	0.7
325.14148	1.8
327.12354	0.3
327.15860	7.3
333.07434	2.4
337.10687	1.5
337.14291	12.6
338.15067	0.9
340.12949	0.5
351.08517	1.9
355.15366	30.2
355.18802	1.2
356.15784	1.1
360.83630	0.4
363.08624	3.2
369.16916	6.1
373.20261	0.8
381.09662	27.2
382.09790	1.5
385.20493	0.6
387.17880	5.8
389.19769	0.6
397.16415	8.0
415.17487	16.8
441.79544	0.5
445.22284	0.7
447.20297	3.1
513.13843	1.2
635.68628	0.4
675.18542	0.5
703.99933	0.4
735.86566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.4
65.03945	4.9
67.05499	77.6
69.03426	5.7
69.07069	25.4
69.65181	5.6
69.81936	1.7
71.05007	6.1
75.76151	1.8
79.05490	60.9
81.03423	7.2
81.07053	89.2
83.04966	10.4
83.08608	13.5
85.02907	6.0
85.06543	5.1
91.05473	50.8
93.07042	68.8
95.04958	14.8
95.08601	52.2
95.09206	2.8
96.91375	1.8
97.02891	4.4
97.06550	7.8
97.10165	5.1
98.22652	3.5
98.23269	6.4
99.04439	2.2
105.04516	4.2
105.07024	36.1
106.78739	1.9
107.04938	4.3
107.08589	39.7
109.02887	2.0
109.06525	8.5
109.10158	31.4
111.08094	3.9
117.07015	15.3
119.08585	28.4
121.06522	3.4
121.10143	29.8
123.08077	3.6
123.11701	6.9
125.09633	4.2
129.07027	6.5
131.08560	25.1
133.10129	26.4
135.08066	3.6
135.11678	16.3
137.09627	3.6
143.08554	6.8
145.10088	19.6
147.08116	3.3
147.11700	15.0
149.09639	5.7
149.13283	7.7
150.67702	2.0
155.08607	3.1
157.10153	5.2
159.11679	17.7
161.13258	8.4
163.11198	3.2
169.10213	3.6
171.11694	5.7
173.04543	2.7
173.13245	7.2
177.12686	3.3
183.11719	3.3
185.13258	5.1
187.14842	3.9
197.13239	2.5
199.14784	5.4
203.14339	2.7
219.17433	3.1
229.14407	6.0
239.17862	2.4
243.20973	3.7
255.15797	2.1
257.18970	5.1
259.20587	3.8
261.22165	11.6
269.17511	13.4
275.19998	17.8
283.19012	2.5
291.19507	3.3
309.20581	8.5
317.24750	2.4
331.22861	2.7
335.25778	100.0
336.25983	2.5
349.23642	21.6
407.84821	2.1
489.35760	5.8
515.37183	6.1
529.38849	36.1
530.39325	2.1
541.52673	2.4
569.42023	25.5
609.45056	23.4
610.45093	2.3
627.45435	3.6
765.94623	2.1
775.96271	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.6
61.02925	9.5
65.03915	1.0
67.05498	53.8
69.03419	1.6
69.07061	5.7
71.05006	1.9
71.08620	12.8
73.02460	1.0
73.02906	3.1
80.57555	0.9
81.07044	12.8
83.08614	9.3
85.02892	10.2
85.10175	9.2
89.06002	1.2
91.03949	6.3
91.05462	3.8
93.07050	1.8
95.08588	12.8
97.02885	4.4
97.10153	2.4
98.23446	2.4
106.98211	1.1
107.08585	1.9
109.10144	57.7
111.08047	1.8
119.08598	3.9
123.11700	2.2
127.03905	2.6
137.09612	2.3
141.70627	0.9
145.04996	2.8
155.10664	4.2
155.90596	1.0
163.06013	5.0
173.11725	14.5
229.14320	100.0
230.14542	1.1
236.63527	1.0
239.23631	1.7
313.27307	76.1
467.37277	67.1
467.42621	0.7
468.37607	2.3
804.95764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98085	0.5
71.95255	0.8
74.92057	0.3
81.07029	0.3
88.99137	0.4
89.10525	0.3
98.23525	0.7
98.97576	38.5
110.17390	0.2
116.98611	30.1
134.99646	12.7
135.00708	0.3
140.00194	3.1
152.84482	0.3
153.00719	1.5
158.01234	1.4
186.42978	0.3
301.01645	0.3
321.04199	0.4
334.60596	0.3
345.04684	0.3
347.02310	0.4
349.03787	0.5
365.03171	1.0
365.10297	0.5
366.04102	0.5
367.04633	0.5
369.06573	0.5
377.03305	1.3
379.04666	0.5
381.06534	0.4
383.04346	0.8
391.04578	1.8
393.06570	0.4
394.03528	0.5
395.04352	1.7
397.05878	0.6
407.08267	0.5
409.05841	6.6
410.06693	0.4
411.07870	1.3
412.04785	0.5
415.06955	0.5
419.04553	0.9
423.03854	3.4
424.04663	1.0
425.09042	1.3
427.06985	23.6
428.07190	0.6
429.08316	0.7
432.07397	0.4
433.05832	0.6
439.07211	0.5
441.04843	2.5
442.06177	0.3
445.08243	1.3
447.03848	1.5
448.04681	1.1
450.08725	1.8
451.07089	2.8
463.06943	100.0
464.07236	3.0
465.04816	0.4
465.19324	0.4
469.07483	0.6
481.08014	24.2
482.08350	0.9
504.09644	9.5
505.09833	0.5
521.11365	0.4
785.04907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48689	3.0
70.23318	3.2
107.48266	2.9
109.22580	3.1
119.84844	3.3
119.85776	3.4
129.06992	3.6
147.24594	3.0
235.02068	3.2
383.73758	3.6
386.37314	2.9
433.06787	100.0
434.07089	6.3
522.97272	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00175	0.9
60.50430	0.9
62.96452	0.8
65.46883	1.0
69.45666	3.8
78.79307	1.0
108.87400	1.0
165.78212	1.0
188.20937	1.1
214.65469	1.1
331.99908	1.1
433.06815	100.0
434.07202	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.3
60.83509	0.2
62.06077	0.3
69.31020	0.2
69.95588	0.3
69.95931	0.6
70.06592	6.7
70.35519	0.2
71.08631	1.7
74.06161	0.2
81.30530	0.2
85.10168	0.6
88.07630	8.5
98.23361	0.3
102.09175	2.4
104.42990	0.2
106.07977	0.3
106.08668	4.9
110.15625	0.2
113.28782	0.2
151.02933	0.2
186.83662	0.2
198.22188	0.2
230.24760	0.5
234.78215	0.2
256.26358	4.1
274.27393	100.0
275.27707	1.3
351.21884	0.2
393.07822	0.2
433.67178	0.2
607.73120	0.2
828.44073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
73.64011	0.4
83.01115	0.8
90.23039	0.5
91.05527	0.9
95.01093	2.1
96.01899	0.8
112.01376	1.0
113.02135	1.9
133.02902	0.4
137.06024	0.5
138.11095	0.4
141.76802	0.4
151.07542	9.9
153.05229	8.7
157.04836	0.6
159.04228	1.0
167.03139	0.6
167.07043	2.6
174.06537	0.8
185.04176	3.5
189.05225	53.6
190.05687	0.5
203.05284	2.6
222.12584	0.5
245.11537	5.6
381.12027	0.5
381.17148	0.5
395.14673	1.3
396.15753	0.5
410.17331	0.6
411.17780	1.4
455.16827	5.5
456.17477	0.5
470.19131	3.5
471.20038	2.5
545.85089	0.4
559.22955	0.9
589.22943	0.7
619.25299	2.6
769.28638	0.5
829.32483	100.0
830.33124	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74004	0.4
61.02927	4.1
67.05498	3.4
67.39936	0.5
69.03424	2.5
69.07071	1.3
69.13937	1.8
69.14344	0.8
73.02897	2.3
79.05495	2.6
81.03439	0.8
81.07056	3.5
83.08627	0.6
83.56329	0.5
85.02908	4.0
91.03931	2.3
91.05489	1.9
93.07050	2.9
95.04973	0.6
95.08609	2.4
97.02901	3.1
98.22893	2.1
101.02380	1.3
105.07040	1.1
107.08628	1.8
109.10158	1.1
112.69103	0.5
117.51027	0.4
119.08615	1.0
121.10157	1.5
125.09659	0.6
127.03956	0.9
131.08582	0.8
133.10144	0.7
135.11703	1.0
141.66779	0.4
147.11697	0.6
149.08464	0.4
165.43132	0.5
167.14738	0.5
243.08548	2.2
285.03091	0.5
306.26352	0.5
333.20441	1.2
366.41019	0.5
519.29193	6.2
551.28558	2.0
704.63318	0.5
829.50677	100.0
830.51062	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77212	0.5
61.02928	5.5
67.05504	5.9
69.03419	3.4
69.07081	1.6
70.66904	0.5
70.75542	1.0
71.01372	0.7
71.05014	0.7
73.02911	4.7
79.05487	3.2
81.03438	2.3
81.07066	5.1
83.08634	1.0
85.02894	5.9
91.03956	3.0
91.05499	2.2
93.07049	3.4
95.05045	0.7
95.08601	4.4
97.02905	5.4
98.23363	0.6
99.04480	1.1
101.02401	2.0
105.07037	0.9
107.08623	2.3
109.10188	1.7
119.08607	1.3
121.10190	2.0
123.11800	0.8
127.03931	1.4
131.08644	0.8
133.10175	0.7
135.11655	1.4
136.81651	0.6
138.25319	0.6
147.11739	1.0
185.04239	1.0
203.05605	0.7
243.08397	2.7
333.20432	5.0
335.26035	1.2
359.18338	0.6
467.76105	0.7
519.29364	8.2
551.28046	3.1
829.50690	100.0
830.50964	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.0
67.05508	2.8
69.03429	1.9
69.07091	1.3
71.46707	0.6
73.02920	2.7
77.42223	0.6
79.05487	3.5
81.03424	1.5
81.07066	3.4
85.02904	3.7
91.03982	2.3
91.05502	3.2
93.07049	3.9
95.04971	1.2
95.08620	2.3
97.02908	3.0
99.02845	0.6
101.02403	1.7
105.07043	2.9
107.08617	1.9
109.10197	0.7
112.92716	0.7
117.07027	0.9
119.08610	2.3
121.10165	1.7
131.08575	1.6
133.10190	2.3
135.11786	0.7
145.10220	0.8
147.11684	1.8
161.13388	0.7
172.86723	0.7
185.04198	1.3
243.08366	3.2
259.20651	1.0
301.09183	1.3
304.56693	0.7
315.10483	0.9
317.20941	1.9
369.15292	1.0
382.59204	0.7
465.21158	1.9
525.22992	1.5
535.28784	14.6
607.30945	2.0
621.32159	0.8
759.42786	0.9
829.50751	100.0
830.51111	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94905	0.3
62.86179	0.3
71.46184	0.3
94.47472	0.3
204.31575	0.3
282.60071	0.3
361.06784	1.7
403.08066	0.7
421.08917	38.4
422.09454	0.8
432.08298	0.3
433.08923	100.0
434.09241	2.3
451.09836	0.4
459.24286	0.3
474.11679	2.0
518.58173	0.3
708.86261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65861	0.2
61.32073	0.2
71.46164	0.2
90.24153	0.2
97.28198	0.2
129.89769	0.2
137.48984	0.2
303.12012	1.1
331.69766	0.2
422.16605	0.3
436.07462	0.3
437.19330	100.0
438.19675	3.5
453.16312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	8.9
67.05505	7.1
69.03423	4.2
71.01344	1.1
71.08635	1.6
71.46548	0.9
73.02914	5.0
81.03418	2.8
81.07043	1.3
83.08630	1.0
85.02899	6.8
91.03936	5.2
93.04737	0.9
95.08642	1.9
97.02892	7.9
99.04462	1.0
100.48659	1.1
101.02396	3.0
109.10150	7.2
113.00071	1.2
122.51743	0.9
127.03928	3.1
138.51184	0.9
155.32936	0.9
159.42746	0.9
173.11720	1.8
177.79471	0.9
185.04260	1.4
243.08414	2.8
262.52393	0.9
347.09464	3.2
354.44208	1.1
405.13739	7.3
413.17886	10.6
497.31027	6.0
507.36826	1.1
575.23004	9.4
592.75934	1.1
659.36426	6.1
669.41693	2.7
785.86615	1.2
831.46954	100.0
832.47052	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.8
62.97536	0.3
69.03421	3.3
70.06580	0.4
71.01336	0.4
71.46430	0.3
73.02913	12.4
85.02900	100.0
86.03257	0.6
87.04469	0.6
97.02882	7.0
113.02312	0.2
115.03929	6.3
123.04314	0.3
127.03909	17.3
129.07059	0.4
131.61894	0.3
133.04912	0.3
139.03912	2.0
150.62704	0.3
157.04961	19.2
175.06007	79.0
176.06369	0.8
199.42387	0.3
201.05641	0.3
231.06456	0.4
247.05879	0.7
249.35376	0.3
277.08588	0.6
305.07990	0.9
307.10181	3.1
331.11707	0.3
333.07428	1.4
337.10559	0.6
350.82059	0.3
351.08539	0.7
356.87811	0.3
363.08530	1.5
367.84763	0.3
381.09680	12.5
382.10095	0.5
555.14923	22.6
556.14636	0.9
809.10175	0.4
811.15149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02368	0.3
64.22635	0.2
67.05529	0.3
68.99786	0.4
69.03424	1.0
71.05001	0.8
73.02916	0.7
79.05505	0.3
80.72809	0.2
81.03413	5.9
81.07043	0.3
85.02911	4.6
86.03251	0.7
89.03907	3.4
91.05505	0.4
93.10672	0.2
97.02880	1.4
99.04453	6.4
99.05079	0.4
103.03921	0.4
103.05469	0.3
109.02876	9.4
109.03644	0.5
115.86717	0.2
117.03374	12.5
122.78564	0.2
127.03912	21.9
128.04189	0.3
134.03610	1.0
135.03462	0.2
135.04428	0.9
139.03960	0.3
145.02841	36.9
145.04860	1.2
149.05957	4.3
157.04970	0.6
163.03911	0.3
169.04955	13.4
175.03828	0.3
175.06009	1.8
176.06360	0.7
177.05461	100.0
178.05820	1.2
186.05548	1.2
187.06013	3.6
215.07164	0.3
217.08614	0.4
221.04364	0.5
229.07036	5.3
243.06491	0.3
247.08098	2.7
251.78986	0.2
259.09531	0.6
285.07596	2.8
303.08643	6.2
345.09674	15.6
346.09933	0.6
347.44385	0.3
382.09940	0.3
455.52252	0.2
557.16498	9.0
558.15863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.6
61.02922	8.1
63.45401	0.4
65.03942	0.6
67.05505	7.7
68.99779	0.6
69.03426	23.3
69.07060	1.8
69.41777	0.9
69.42176	1.7
69.55892	0.5
70.06588	0.5
70.46828	0.4
71.01351	0.8
71.04985	3.9
73.02911	3.8
73.50156	0.4
78.85843	0.5
79.05492	7.2
80.75705	0.4
81.03412	14.2
81.07053	46.4
83.01333	1.0
83.04989	0.8
83.08620	0.9
85.02899	100.0
87.00825	16.5
87.01237	0.4
87.04466	1.7
91.03957	2.9
91.05473	6.1
93.06444	0.8
93.07043	11.8
95.04963	3.4
95.08602	21.0
97.02888	34.2
97.06513	1.6
97.10168	2.0
99.04449	7.7
101.02354	0.5
103.03944	1.1
105.01863	36.4
105.07025	16.6
105.07740	1.0
107.07848	0.5
107.08052	0.3
107.08582	14.3
109.02876	16.6
109.06526	1.2
109.10156	9.3
111.04418	1.0
111.08091	1.8
113.05999	1.1
115.03935	1.2
117.01830	0.5
117.07018	1.7
119.08571	27.2
121.06485	1.6
121.10137	8.8
123.08064	1.8
123.11700	14.1
125.09573	0.9
127.03907	43.1
129.01808	1.0
129.06953	0.9
131.08591	1.7
133.10120	15.0
135.08031	2.4
135.11694	11.1
136.12486	0.6
137.09596	1.0
137.13196	0.6
139.07504	1.5
142.07794	0.7
143.08559	2.1
144.06538	1.3
145.04948	33.3
145.10124	2.1
147.07962	0.8
147.11678	6.4
149.09639	0.8
149.13240	0.7
153.09081	2.0
155.08502	0.6
157.10130	2.8
159.02870	3.2
159.08118	0.8
159.11702	5.8
161.09656	2.2
161.13251	23.3
162.07608	0.8
162.13652	0.6
163.06004	8.5
163.07339	0.5
163.11157	0.5
165.09108	0.8
167.10728	0.6
169.10143	0.7
171.02910	0.7
171.11665	1.1
173.09586	0.6
173.13226	1.3
175.11215	1.6
177.05421	0.6
179.10683	1.3
181.10080	0.7
185.09576	0.5
185.13225	1.1
187.11212	0.6
187.14830	1.0
189.03928	0.9
189.16374	48.8
190.16774	0.6
199.14838	1.6
213.03893	3.4
215.14458	0.6
217.10631	0.8
217.15862	10.1
229.15683	0.5
231.04980	17.7
233.15401	0.7
235.16919	46.2
236.17285	0.7
241.15907	0.5
245.15225	0.6
247.16916	1.0
249.06041	20.3
253.07007	1.4
259.16785	1.0
271.08090	1.7
275.16336	0.8
277.17975	0.5
289.09241	0.9
301.18021	1.4
303.10690	0.5
313.17868	0.5
324.12689	1.0
325.11230	1.7
325.17957	3.2
331.29156	0.6
333.21167	0.5
343.18979	2.9
361.19986	3.0
375.09198	1.2
379.21283	2.8
393.10156	3.1
404.21854	0.5
411.11398	1.6
429.19080	0.8
447.20270	2.5
465.21140	1.5
643.54199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45635	0.5
86.09695	0.5
98.55112	0.5
100.05094	0.6
100.14321	0.4
111.31425	0.4
139.78824	0.4
181.38391	0.4
241.55482	0.5
265.53381	0.5
351.03021	0.4
390.31448	0.5
396.95084	0.5
403.04065	0.6
418.06635	3.6
433.08960	100.0
434.09286	2.7
451.09964	1.0
473.58249	0.4
474.11612	4.2
843.38281	0.6
843.55151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74589	0.4
71.46656	0.3
81.03427	1.1
85.02917	0.5
89.03931	1.6
91.05486	0.5
97.02949	0.4
99.63577	0.4
109.02876	1.9
109.10178	0.4
113.22579	0.4
117.03374	3.7
127.03948	1.7
134.03773	0.4
145.02844	11.7
145.03911	0.8
149.02150	1.6
149.06015	1.1
169.05003	1.6
177.05469	13.7
199.03659	5.5
217.04767	0.4
241.45482	0.4
259.05994	0.5
293.28955	0.4
331.07968	1.0
343.07867	9.6
361.08835	0.5
385.09204	1.2
392.99158	0.4
403.10422	0.7
421.11285	1.1
513.17059	0.6
579.14905	1.3
597.15735	4.7
843.23096	100.0
844.23175	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.2
62.66183	0.7
67.05501	3.7
69.03444	3.1
69.07079	1.4
71.01388	0.7
73.02925	2.6
79.05481	4.5
81.03392	1.3
81.07060	5.0
85.02908	4.4
91.03963	2.2
91.05479	5.6
93.07041	4.6
95.04988	1.2
95.08646	2.5
97.02869	3.6
97.10226	0.9
99.04459	0.7
101.02399	2.2
105.04524	0.7
105.07070	3.1
107.08639	1.7
109.10172	1.4
113.00007	1.8
119.08614	1.4
121.10181	1.7
122.71961	0.6
123.08112	0.9
123.11739	0.9
127.03921	1.1
129.70680	0.7
131.08615	0.8
133.10150	1.7
135.11661	1.5
143.08620	0.9
147.11668	0.8
151.94435	0.7
169.02672	1.4
185.04301	0.9
222.00435	0.7
230.95390	0.7
243.08412	3.7
301.09024	1.5
333.20447	1.8
349.19955	1.5
371.16769	0.8
377.40695	0.8
439.19821	0.9
453.20804	1.4
469.20770	1.0
519.29205	1.1
535.28540	4.7
541.23285	0.8
551.28296	5.4
567.28308	0.8
582.72650	0.7
845.50140	100.0
846.50372	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
67.05494	3.7
69.03429	3.1
69.07073	1.8
71.01377	0.5
73.02911	2.6
79.05482	4.2
81.03436	1.5
81.07047	4.1
81.32476	0.4
83.05007	0.6
85.02902	3.8
90.83640	0.5
91.03967	2.0
91.05476	3.3
91.50066	0.4
93.07037	4.1
95.04976	1.2
95.08617	2.2
97.02905	3.1
97.10177	0.6
99.04485	0.6
101.02393	1.4
105.07040	3.0
107.06664	0.5
107.08578	2.6
109.06519	0.5
109.10195	0.5
115.03951	0.7
119.08617	1.7
121.10172	1.3
127.03925	1.2
131.08612	1.6
133.10191	1.7
135.11717	1.2
145.10210	1.2
147.11743	1.4
157.10223	0.6
159.11696	0.7
161.13312	0.6
174.20921	0.4
185.04115	0.9
203.05389	0.9
220.54715	0.5
243.08363	3.0
259.20609	0.5
301.08939	1.0
313.09167	0.7
314.44199	0.5
315.10645	0.8
319.43030	0.5
333.20267	2.5
353.09698	0.5
373.11249	0.5
389.23108	0.6
453.21228	0.8
465.20901	0.6
469.20737	0.5
535.28662	6.1
551.28339	5.7
610.60400	0.5
623.30334	0.8
845.50153	100.0
846.50690	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.9
68.99778	0.7
69.03072	0.7
69.03426	9.1
69.33566	2.0
71.04971	1.7
71.44926	0.6
73.02901	1.3
78.04694	1.2
79.05496	3.4
81.02964	1.1
81.03416	17.4
85.02399	1.0
85.02902	20.0
87.00822	6.0
91.03950	0.6
91.05492	1.4
95.04961	1.8
97.02894	10.3
99.04456	3.0
99.14362	0.5
103.05437	1.5
105.01854	5.9
107.04951	12.0
108.04514	0.9
109.02866	9.2
115.05461	4.9
117.01879	0.9
117.07014	15.9
121.06493	1.1
123.04414	1.7
124.05173	2.8
125.05956	0.8
127.03019	1.1
127.03909	12.9
127.05324	0.7
128.06171	0.9
129.01868	1.3
129.07007	3.5
131.04941	1.6
131.08560	4.0
133.06494	1.7
141.07002	1.9
143.04929	1.0
144.05670	2.5
145.04982	4.8
145.06479	39.0
147.02925	0.7
147.08067	1.4
152.04620	1.3
153.05461	0.9
155.06003	6.6
155.07068	1.1
156.05684	6.5
157.06454	1.8
159.02910	3.9
159.08060	8.5
159.49049	0.6
161.05966	3.6
162.07585	1.1
163.03897	1.0
167.07034	52.3
168.07426	0.8
169.06354	1.0
172.05225	0.9
173.05978	72.9
174.06471	1.2
175.07562	2.3
180.08708	1.9
181.04883	1.3
181.08597	1.4
183.28807	0.6
184.05185	2.1
185.05948	0.7
186.06975	0.6
187.07542	7.4
189.09109	0.7
190.06244	38.2
191.06914	2.0
193.08614	1.2
201.09128	0.7
202.06235	4.6
203.07050	7.3
204.07698	1.0
205.08592	100.0
206.08943	1.8
207.06506	1.6
207.10219	0.7
209.08029	0.7
211.07387	0.6
213.03929	1.0
215.07095	1.8
217.08589	50.2
218.09097	1.0
219.08148	1.3
219.10052	4.3
223.09593	2.7
229.08615	0.8
231.04977	2.6
231.08051	1.2
233.09636	0.7
235.09633	31.8
245.09647	1.0
247.07492	2.0
247.09668	9.0
248.08051	2.2
249.05980	0.8
249.11220	2.1
255.06656	0.8
261.09088	1.2
262.09854	1.0
263.10602	2.0
264.07834	1.4
265.10706	83.4
266.06012	0.7
266.11130	1.3
269.08029	2.5
271.09732	3.5
275.06915	0.9
276.07980	1.3
277.08551	1.0
279.10269	1.5
282.08945	1.3
290.09335	1.0
291.10184	2.5
293.07986	1.9
295.09903	0.7
296.10425	0.6
299.09128	0.8
300.06183	0.6
307.09576	2.3
308.10425	1.8
309.11414	0.8
310.08463	0.7
315.08627	8.9
319.09671	1.4
320.10428	0.8
321.07358	0.9
323.12726	2.7
330.10977	18.1
331.11685	3.9
335.09256	0.7
336.09918	1.2
337.10733	1.3
339.12234	2.1
343.11737	1.5
351.12228	5.3
352.12799	1.2
353.10352	1.3
368.12463	2.5
369.13315	5.1
371.14996	4.0
383.14899	20.3
384.15164	0.8
385.16498	1.6
393.84686	0.6
401.15955	41.6
402.16214	1.2
417.15540	1.4
455.70599	0.6
505.50601	0.6
612.22272	0.7
617.77820	0.7
787.16510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.4
67.05505	4.7
69.03425	2.6
69.07082	1.8
71.01345	0.6
73.02909	3.4
79.05489	3.4
79.16331	0.6
81.03420	1.1
81.07059	4.8
85.02904	5.0
86.45739	0.5
87.44984	0.6
88.91348	0.5
91.03986	2.9
91.05510	1.3
93.07053	3.9
95.04984	0.9
95.08611	4.4
95.74799	0.7
97.02917	4.6
97.10224	0.5
101.02386	1.1
103.88750	0.5
105.07029	1.2
107.08616	1.7
109.10147	1.2
111.08083	0.6
113.98773	0.5
119.08584	1.0
121.10170	1.4
127.03931	1.3
131.08588	0.8
133.10114	1.3
147.11728	0.7
161.13248	0.8
243.08501	2.1
335.25708	1.0
351.21539	3.0
392.67755	0.6
519.29297	6.3
569.29401	6.4
847.51703	100.0
848.51843	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	3.2
61.02929	13.9
65.03937	1.9
67.05505	97.7
69.03427	2.5
69.07072	7.5
71.04987	3.6
71.08636	1.0
71.46716	0.9
73.02904	4.3
79.05492	20.2
79.05946	1.4
81.07058	37.9
83.04996	1.5
83.08624	8.7
85.02906	13.9
85.06546	2.6
91.03947	8.3
91.05483	15.6
93.07046	25.3
95.04985	3.1
95.08607	29.2
95.09216	1.4
97.02898	6.5
97.06525	1.8
97.10160	2.3
103.03944	0.7
105.04532	1.5
105.07034	7.3
107.08588	15.6
109.10159	76.8
111.08092	3.2
115.97141	0.7
117.07029	3.1
119.08573	10.9
121.10143	13.4
123.11705	4.9
125.09618	1.2
127.03940	3.2
131.08566	6.0
133.10130	6.6
135.11685	8.2
137.09618	3.4
137.13289	1.4
145.04953	3.8
145.10150	4.9
147.11697	3.3
149.13263	5.8
151.14883	0.9
155.10664	4.8
156.55725	0.7
159.11700	4.8
161.13272	2.9
163.06046	5.0
163.14839	3.3
173.11766	21.6
173.13269	3.9
175.14824	1.5
177.16226	0.9
185.02315	0.8
187.14822	2.1
227.12718	5.0
229.14345	100.0
230.14799	2.2
233.22600	1.3
243.21100	7.4
261.22134	22.5
293.51096	0.8
293.54474	0.8
317.24762	4.4
335.25797	87.3
336.26202	2.6
379.30093	1.3
397.31003	1.2
415.32129	1.5
471.34546	3.9
489.35757	87.6
490.36349	4.3
507.36844	8.6
633.39008	1.3
677.18066	1.0
848.50049	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.8
59.13464	0.7
60.26526	0.8
61.02925	12.0
65.03944	2.0
67.05502	80.5
69.03413	2.4
69.07066	5.8
69.84918	0.7
71.04984	2.8
71.08656	0.8
73.02911	3.0
79.05489	14.5
80.54673	0.8
81.03423	1.4
81.07053	30.6
81.57101	0.7
83.08617	6.4
85.02902	12.1
85.06534	2.6
91.03953	8.5
91.05474	10.5
93.06456	0.9
93.07043	17.9
95.04980	1.5
95.08604	20.8
97.02894	5.9
97.06504	1.0
97.10141	1.9
98.22607	1.3
99.04463	1.4
101.02444	0.7
105.04510	0.8
105.07041	6.1
107.08592	11.4
109.10149	69.3
111.08082	2.9
112.83353	0.9
117.07024	3.1
119.08591	8.4
119.14359	0.7
121.10144	9.6
123.11702	2.8
125.09608	1.5
127.03902	3.4
131.08575	5.4
133.10133	4.0
135.11684	8.1
137.09607	3.7
137.13300	1.4
145.04936	2.6
145.10153	4.3
147.11694	3.6
149.13255	2.9
155.10683	5.6
159.11717	2.7
161.13258	2.9
163.05968	4.0
163.14838	2.8
173.11746	19.5
173.13229	2.6
187.14821	2.2
189.11197	1.4
227.12779	7.5
229.14337	100.0
230.14645	1.2
243.21072	4.4
249.05699	0.8
261.22141	16.9
314.72391	0.9
317.24777	3.5
335.25781	64.7
336.26031	2.5
379.30078	0.9
397.30991	2.5
415.31961	1.7
471.34766	2.5
489.35706	49.8
490.36166	1.3
507.36850	8.6
806.61566	1.1
848.51306	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	5.1
67.05494	0.9
69.03412	1.5
70.06595	1.0
79.05479	1.2
81.03404	1.9
85.02885	2.7
91.05471	3.5
93.03388	2.6
95.04965	1.7
97.02848	0.9
98.17236	0.6
98.22665	1.0
103.05448	2.3
105.04477	0.7
105.07023	2.1
107.04948	2.8
109.02875	1.6
109.06497	0.9
110.03652	4.2
111.04436	4.5
115.05451	1.6
119.04968	3.1
120.08083	1.3
121.02831	0.6
121.06526	0.8
123.04381	0.6
125.05991	6.0
127.03886	1.0
128.06160	1.4
129.06970	3.2
131.04930	3.0
131.08588	0.9
132.05647	0.9
133.02831	3.1
133.06493	1.7
134.08115	2.1
136.07539	0.8
137.05974	15.8
138.03136	0.7
143.04921	1.3
144.05695	1.4
145.06438	2.2
147.04401	4.9
149.05922	1.8
151.03893	6.1
151.07539	1.8
153.05458	25.1
155.04869	1.2
157.06482	1.4
159.08047	5.7
161.05949	4.0
161.09628	2.2
163.07516	1.9
165.05518	1.5
165.07021	1.0
167.07031	16.6
174.06847	1.0
175.07515	4.5
177.05455	1.6
179.07002	2.0
181.04964	7.5
181.06451	1.2
185.05966	2.8
186.06824	1.5
187.07516	6.1
189.07097	1.1
189.09087	1.3
190.07780	0.9
191.07008	5.3
191.08574	2.4
195.08063	0.8
198.06758	0.8
199.07553	3.3
202.07726	1.2
203.08528	1.9
205.06444	1.7
205.08411	0.9
205.10191	0.7
206.07259	1.0
207.06274	0.9
207.08102	1.7
208.08783	2.4
209.08002	1.0
216.07791	2.7
217.08499	1.6
218.07201	3.0
219.08026	7.2
220.08749	4.4
221.05922	2.6
221.09599	2.5
223.11188	1.1
225.09074	0.8
229.08575	5.7
231.08051	1.1
233.05951	1.7
233.09569	2.0
234.06731	1.8
234.10252	0.7
235.07533	6.7
235.09537	1.1
236.08336	8.9
237.09052	2.4
238.06128	0.7
241.08739	0.6
246.06670	1.3
247.07500	4.0
248.08362	4.8
249.05344	1.2
249.09123	5.4
250.09854	1.9
251.06946	1.0
251.08121	0.8
251.10687	11.0
253.08568	2.4
259.07617	1.2
260.08429	0.9
261.05508	1.7
261.09052	2.3
262.09952	1.1
263.06970	3.5
263.10916	1.1
264.07764	9.6
264.10464	0.9
265.08572	7.4
266.09363	1.5
267.10193	1.8
267.52768	0.7
268.10910	0.9
273.09149	0.8
275.07019	2.4
276.07834	5.7
277.08624	4.0
278.09387	4.4
279.10132	5.9
280.10941	1.9
281.08087	8.4
281.11670	2.3
282.08896	0.6
283.09656	1.0
289.05420	0.6
289.08609	2.3
290.09134	1.1
291.06845	1.0
291.10123	3.5
292.07159	1.3
292.10861	1.0
293.08081	2.6
293.11612	1.5
294.08954	1.0
295.09586	1.3
296.10419	2.7
304.07297	1.4
305.08090	1.1
306.08728	1.1
307.09631	27.1
308.10358	4.6
309.11252	3.5
311.12747	62.7
312.13162	1.0
313.14462	0.8
318.08548	0.7
319.09436	4.5
320.10229	1.2
321.07846	0.9
321.11224	2.2
323.09244	0.9
323.12729	2.1
324.09909	1.9
325.10681	1.6
325.14178	1.4
327.12399	0.8
333.89078	0.7
336.09821	2.1
337.10721	3.9
338.11609	1.1
339.12244	100.0
340.12888	3.0
341.13803	9.8
351.12234	22.3
353.13745	4.3
357.13370	2.1
365.13687	0.7
367.15274	1.2
369.13309	12.2
371.15097	0.8
387.14267	2.7
397.16522	1.4
419.83517	0.6
489.19119	3.6
501.18741	1.2
519.19995	0.9
595.33978	0.8
605.18500	2.6
635.19464	3.8
681.45612	0.7
849.55243	5.9
850.55396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.5
65.03932	2.2
67.05510	1.7
68.99776	2.0
69.03422	4.2
71.05003	1.0
73.02911	1.8
75.64971	0.7
77.03941	0.7
79.05476	2.5
81.03416	6.9
81.07035	0.7
85.02898	15.9
87.00831	6.2
91.05477	2.8
94.04176	1.3
95.01344	0.8
95.04955	3.2
97.02887	5.1
97.06588	0.9
97.71283	0.6
99.04466	1.2
102.04672	0.7
103.03951	4.1
103.05455	17.2
105.01851	2.3
105.03382	1.2
105.04425	0.8
105.07021	2.4
107.04939	3.1
108.02069	0.8
109.02863	7.4
109.06509	1.1
111.04433	1.6
115.05434	5.3
117.07021	4.6
118.04153	2.1
119.04924	3.4
119.08578	0.9
121.06491	2.3
122.03647	3.7
123.04439	1.7
125.05983	2.6
127.03923	3.9
129.01830	2.6
129.06996	2.9
131.04919	36.6
132.05650	0.7
133.02859	6.3
133.06491	4.4
135.08011	1.6
137.05969	69.7
138.06383	0.7
141.05565	0.8
141.06975	1.8
143.04939	3.8
144.05681	1.0
145.05013	1.9
145.06477	6.9
146.03622	1.2
147.02878	1.9
147.04393	4.9
147.08049	0.9
148.05190	5.5
149.05977	5.5
151.03902	51.0
151.04982	4.4
151.07520	2.0
153.05495	4.3
155.04918	1.5
155.06058	0.9
157.06480	2.4
159.02934	1.9
159.04402	6.1
159.08026	2.1
160.05164	3.0
161.05954	10.1
161.09598	0.9
162.06714	1.1
163.03888	1.8
163.07529	30.6
164.07939	1.0
165.05444	3.3
165.09062	1.2
167.07030	12.1
169.06425	4.4
171.02954	1.3
171.04416	2.4
172.05244	1.1
173.05966	8.9
174.06731	1.1
175.03931	2.2
175.07538	21.3
176.04709	4.5
177.05446	7.0
177.09094	1.3
179.07030	9.1
181.04941	18.1
184.05258	0.9
185.05894	1.2
187.07526	11.8
188.04701	1.5
189.03925	7.3
189.05487	1.7
189.09094	3.2
190.06242	2.8
191.07022	100.0
192.07439	1.0
193.04825	0.8
193.08551	1.6
195.08087	0.8
197.05974	4.8
198.06795	0.8
199.07610	0.9
201.09068	3.2
202.06131	0.7
202.94803	0.8
203.07027	12.9
203.08849	1.1
205.06648	1.2
205.08566	18.5
205.10445	1.3
207.06477	1.2
207.08200	1.2
207.10118	0.9
209.08096	2.2
211.07520	1.0
214.06244	1.6
215.07040	5.1
217.08548	6.1
219.08180	1.0
219.10114	2.0
220.08755	0.8
225.05435	1.6
227.07076	1.8
229.08559	14.4
231.06519	2.7
233.05992	0.8
233.08034	22.7
235.07585	1.3
235.09650	12.7
236.08148	1.2
237.09126	1.8
238.09898	0.9
239.07083	0.9
245.08020	1.0
247.07433	1.6
247.09677	2.4
249.09084	1.5
251.10747	1.2
253.08690	0.8
253.90042	0.7
257.08066	12.3
263.06738	1.3
263.09140	10.3
264.07861	1.1
265.08466	1.3
265.10779	10.1
267.10110	0.7
275.09189	7.4
277.08578	1.4
279.10220	1.0
281.08252	0.9
289.10812	1.0
291.10159	1.0
293.10208	1.4
295.09598	2.0
297.11133	0.7
299.09271	1.5
300.09995	1.4
307.09573	4.3
309.11182	1.5
311.12784	4.8
323.12885	1.0
325.10733	2.3
326.11227	1.2
327.12244	2.2
329.13959	1.1
337.10635	2.0
339.12216	8.9
341.13843	3.1
351.12170	2.4
353.13681	2.7
355.11746	4.7
357.13174	1.7
359.15088	0.8
361.09036	4.3
365.13757	1.5
369.13266	6.0
371.14835	8.0
379.05521	1.1
379.10190	17.6
385.16602	1.2
387.14362	39.1
397.11252	2.7
397.16019	0.9
413.16226	0.7
470.66898	0.8
545.46045	0.8
549.21295	2.6
619.52924	0.8
635.20416	0.9
850.28961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.6169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17104	0.5
68.05031	8.4
70.74516	0.7
83.06108	2.2
83.08626	1.3
84.04499	3.4
86.06068	100.0
86.09699	8.9
87.06409	0.5
100.11266	1.1
101.07137	1.5
103.08700	1.3
118.12285	3.4
128.10677	1.1
129.06590	2.5
130.04897	0.5
171.14928	0.9
172.09863	0.6
199.14418	91.4
200.14680	1.2
202.11621	0.4
210.16063	2.5
211.14381	3.9
214.11879	2.1
224.57286	0.4
226.15536	1.3
227.13904	66.6
228.14603	0.7
228.17072	10.3
229.15457	9.4
246.18167	5.2
268.26358	4.9
284.19727	1.4
296.25836	14.4
312.19165	76.0
313.19324	0.7
313.22369	2.6
314.20551	0.7
329.21829	0.8
331.23462	1.1
355.19788	0.6
409.30615	24.3
410.30856	0.7
412.25366	1.0
423.22424	0.6
440.25015	22.3
494.39462	1.5
522.39044	37.8
523.39032	0.8
539.35571	5.7
540.33618	2.1
557.36578	41.1
558.36584	1.1
607.44293	42.3
608.44275	1.4
834.60681	7.9
835.59186	3.6
852.61737	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.5
61.04342	0.5
67.05505	6.5
69.03447	2.9
71.04999	0.7
73.02917	3.9
75.16778	0.5
79.05504	1.8
81.03432	1.7
81.07059	3.1
83.08609	1.1
85.02900	5.5
91.03941	3.8
91.05492	1.2
93.07059	1.8
95.08615	2.9
97.02900	6.5
99.04471	0.9
101.02393	2.1
103.03962	0.6
105.07027	0.9
107.08624	1.6
109.02873	1.0
109.10154	5.6
113.00015	5.9
115.77036	0.5
119.08567	0.6
121.10155	0.7
127.03951	2.4
131.08609	0.6
133.10199	1.0
135.11696	0.8
137.09669	0.6
144.97984	0.6
147.92706	0.6
155.10643	0.7
169.02594	7.9
173.11786	1.8
195.09987	1.0
203.05293	0.7
229.14412	0.9
243.08556	2.2
253.44630	0.7
282.03506	0.6
282.12436	0.6
319.99228	0.6
335.25940	0.8
337.27527	0.8
347.09579	3.5
363.09204	0.7
365.10852	0.8
405.13608	6.1
413.17828	9.9
519.29260	6.2
575.23102	9.2
681.34357	5.2
691.40234	2.3
853.45490	100.0
854.46191	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.1
65.03924	0.4
67.05512	4.9
69.03431	3.8
69.07094	0.9
69.90736	0.3
69.91077	0.9
71.01371	0.8
71.05007	0.6
73.02917	4.3
75.86531	0.3
79.05499	2.2
81.03419	2.2
81.07061	3.1
82.89119	0.3
83.08635	0.7
85.02911	6.7
85.03408	0.4
87.04478	0.4
91.03962	4.6
91.05495	1.6
93.07055	1.9
95.04979	0.4
95.08607	1.9
97.02900	6.6
98.22775	0.4
98.23367	0.6
99.04493	0.9
101.02373	2.2
103.03966	0.5
105.07056	1.0
107.08630	1.0
109.02918	1.0
109.10161	3.4
109.10796	0.3
115.03900	0.7
119.08598	0.6
121.10178	1.1
127.03932	2.2
133.10196	0.5
135.11729	0.7
137.34431	0.3
145.04961	0.5
145.10136	0.3
156.90126	0.3
173.11771	0.7
173.13292	0.4
174.87659	0.3
185.04309	0.8
195.09988	0.8
203.05363	0.6
229.14461	0.5
243.08421	1.8
244.60730	0.3
251.12860	0.3
258.15472	0.3
335.25934	1.2
347.09448	2.3
363.09027	1.1
365.10504	1.6
405.13663	6.8
413.17822	5.7
519.29242	7.2
519.36261	0.6
575.23090	5.2
575.30853	0.4
579.39441	0.4
612.88361	0.3
655.90295	0.4
681.34583	7.7
691.40076	1.8
853.45526	100.0
854.45813	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.7
67.05504	41.2
67.05865	2.0
69.03425	10.0
69.07066	32.9
71.04987	4.8
79.05490	34.5
79.30835	1.2
81.03410	10.6
81.07053	37.3
83.04978	7.7
83.08618	10.0
84.38366	1.3
85.02888	2.7
85.06535	2.0
91.05476	25.5
93.07045	32.2
95.04971	10.6
95.08610	18.0
97.02893	9.1
97.06537	10.5
97.10168	12.8
99.04416	1.6
105.04513	2.4
105.07025	20.8
107.04931	8.9
107.08592	22.1
109.02876	2.0
109.06522	5.6
109.10145	10.4
111.08064	3.9
115.05506	1.5
117.07018	11.4
119.08574	16.6
121.06535	3.4
121.10152	10.7
123.08042	4.3
123.11721	2.0
125.09615	11.0
127.03926	2.5
129.07001	5.0
131.08540	12.8
133.06528	2.3
133.10118	13.5
135.08044	5.9
135.11725	6.4
137.09654	2.1
141.06985	1.2
142.07796	1.3
143.08562	4.6
145.06517	2.3
145.10080	11.4
147.08067	4.6
147.11627	5.9
149.09622	5.8
149.13284	6.7
151.11188	1.6
155.08618	1.7
157.10139	4.3
159.11630	8.9
161.09633	2.8
161.13202	2.7
163.11186	4.0
165.09102	2.6
169.10115	2.9
171.11662	3.8
173.04419	1.8
173.13313	3.9
175.11263	2.7
177.12740	4.2
179.14395	1.2
183.11636	1.6
189.11212	4.6
195.13763	2.5
197.13257	1.4
205.12181	1.5
223.13254	16.1
227.12823	8.9
233.15352	1.3
245.18802	1.5
249.14903	3.0
253.14322	1.3
255.15770	5.8
257.19019	6.2
267.15826	3.0
269.17496	15.0
273.18463	13.8
275.20081	21.2
291.19534	100.0
292.19699	1.8
293.21103	1.3
296.79031	1.2
339.18036	1.5
347.05563	2.3
347.22296	1.4
349.23743	17.3
363.08597	37.8
364.08865	2.2
365.23230	47.9
367.24884	2.2
395.85690	1.3
413.21420	1.6
519.33057	1.8
541.34937	3.7
543.36951	1.5
545.34741	14.8
559.36279	54.5
560.37341	2.1
639.42609	26.7
657.43091	3.0
854.45538	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.3
65.03938	4.0
67.05505	50.7
69.03431	13.3
69.07069	38.6
77.03920	1.5
79.05494	45.8
81.03426	10.6
81.07056	46.3
83.04980	10.4
83.08617	14.3
85.02902	3.6
85.06535	2.2
86.83004	1.4
89.61800	1.2
91.05483	37.9
93.07046	39.1
95.04979	16.2
95.08605	23.5
97.02897	12.3
97.06533	10.0
97.10176	15.2
98.23457	2.4
103.01337	1.4
103.05502	1.8
105.04519	2.6
105.07026	28.7
107.04964	12.6
107.08594	29.7
109.02885	2.9
109.06541	7.7
109.10143	12.0
111.04430	1.7
111.08099	4.5
115.05508	2.7
117.07018	15.3
119.08575	19.9
121.06503	5.8
121.10138	10.4
123.04333	1.5
123.08056	5.4
125.09611	11.5
127.03899	3.0
128.06189	2.2
129.07014	4.9
131.08571	15.9
133.06516	3.5
133.10126	15.3
135.08037	5.5
135.11716	11.2
135.29094	1.3
137.09615	3.4
141.07010	2.1
143.08527	6.8
145.10139	14.1
147.08073	6.3
147.11705	9.0
149.09593	7.4
149.13260	5.2
153.09009	1.5
157.10146	5.2
159.11731	10.6
161.09682	3.4
161.13266	2.6
163.11168	6.7
165.09129	1.9
167.08629	1.6
171.11710	2.3
173.13168	3.2
175.11176	3.5
177.12759	4.9
179.14316	2.4
183.11592	2.8
189.11264	4.5
195.13812	3.8
205.12300	2.6
207.13828	1.7
223.13286	23.2
227.12766	12.4
231.90265	1.4
245.18921	1.4
247.07408	1.9
249.14948	2.6
253.14281	2.9
255.15833	5.8
257.19025	6.2
263.07208	1.7
269.17499	14.7
273.18506	14.0
274.06372	2.9
275.07449	1.4
275.20062	17.0
291.19531	100.0
320.06812	1.9
331.22842	2.1
347.05472	3.9
347.22113	3.3
349.23721	19.7
358.42896	1.5
363.08606	39.3
364.09082	2.8
365.23254	45.3
377.06564	2.7
457.50754	1.7
461.28857	1.8
463.56412	1.4
519.32422	1.7
520.29608	1.8
541.35071	3.9
543.36951	2.2
545.34680	13.3
559.36243	44.5
621.41058	2.3
639.42590	25.5
657.43488	3.6
703.41461	2.5
854.45819	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	62.8
65.03932	1.9
67.05499	41.3
69.03431	6.6
69.07062	6.2
71.04993	2.6
73.02914	24.1
79.05486	23.4
81.03436	4.4
81.07052	47.8
83.04945	0.9
83.08625	3.9
85.02899	84.1
85.06535	1.5
91.03951	69.6
91.05468	15.0
93.07039	34.7
95.04955	2.9
95.08601	38.6
97.02250	2.0
97.02886	42.3
97.06533	2.6
97.10160	2.3
99.04440	4.7
99.08114	1.5
101.02379	1.5
103.03931	2.4
105.07021	11.0
107.08587	26.7
108.37039	0.8
109.02888	2.5
109.10159	21.2
111.08040	1.7
111.11723	1.0
113.09637	1.3
115.03908	4.2
117.06999	4.9
119.08573	11.0
121.10138	25.1
123.11686	12.5
127.03904	32.9
131.08556	14.7
133.10115	10.5
135.11681	17.8
137.09636	0.9
137.13248	5.6
139.11150	1.9
145.04951	45.1
145.10132	11.1
147.11696	8.4
149.13255	16.0
151.11140	1.2
151.14813	1.9
159.11687	10.1
161.13216	9.5
163.06007	100.0
163.14792	12.5
165.12766	2.7
173.13239	13.5
175.14845	2.6
177.12767	2.0
177.16409	5.1
179.14313	2.7
187.14781	7.8
191.14278	1.3
193.45384	1.0
201.16330	1.8
204.08817	1.9
205.15820	2.1
205.87682	1.0
215.17834	1.5
233.22626	2.8
243.21059	34.2
244.83638	1.0
261.22116	89.2
262.22470	2.2
263.23615	1.8
279.23215	1.7
307.09982	1.3
325.11285	8.5
335.25769	17.1
336.46460	0.9
353.26837	84.4
354.27252	1.9
365.78702	1.0
375.37177	1.0
497.31052	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03988	3.0
67.05506	71.4
69.03430	8.8
69.07072	39.7
69.58914	3.9
71.05016	5.2
75.24532	3.1
77.03958	3.2
79.05499	71.2
81.03418	13.8
81.07058	100.0
83.04985	11.2
83.08626	22.5
85.02933	7.0
85.06538	4.1
88.25251	3.5
91.05486	60.7
93.07052	67.4
95.04954	16.2
95.08602	38.9
97.02875	6.7
97.06533	23.8
97.10168	16.4
105.04494	3.8
105.07029	54.2
107.04950	15.7
107.08591	49.1
109.06529	12.0
109.10159	23.9
111.08044	6.5
113.06001	4.1
117.07037	29.4
119.08565	36.3
121.06535	5.5
121.10143	24.6
123.08102	4.6
123.11708	6.9
124.21936	4.0
125.09639	15.9
127.03960	4.9
129.06990	11.6
131.08571	26.5
133.10143	34.8
135.04434	3.7
135.08054	8.5
135.11688	20.5
137.09644	6.0
141.07004	3.5
143.08606	10.1
145.10173	26.0
147.11696	15.0
149.09636	19.4
149.13269	13.9
151.11192	4.5
155.08577	5.5
157.10199	9.3
159.05214	3.3
159.11697	22.2
161.13316	7.0
163.11238	10.7
165.12747	4.7
169.10097	4.9
171.11697	6.7
173.04494	5.3
173.11938	4.5
173.13330	12.8
177.12740	6.2
181.10092	3.6
181.12292	3.6
183.11734	5.7
187.11205	5.2
187.14832	4.0
189.11218	8.0
195.11877	4.0
195.13799	8.9
197.13263	4.0
215.03383	7.2
227.12802	21.2
229.14365	5.7
239.18086	6.1
241.19429	3.3
247.07423	4.2
247.20761	5.4
255.15982	10.5
257.19040	9.3
263.07095	3.9
267.15997	4.4
269.17474	42.5
273.18597	4.4
275.20059	54.4
293.21185	3.4
305.08075	12.4
313.31577	3.2
321.07797	5.7
349.07098	9.9
349.23749	48.6
367.24698	7.5
393.09601	14.3
449.29047	17.7
451.32211	5.8
457.18304	5.7
463.30551	20.8
525.35907	6.1
527.36768	3.5
529.35242	9.4
543.36993	44.3
623.42700	14.9
641.43188	6.3
785.46240	3.9
857.46039	11.3
878.79980	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.1
61.03241	0.1
65.03937	0.1
67.05489	0.2
69.03425	17.2
71.01353	1.0
71.04985	0.3
71.46095	0.1
73.02912	8.9
75.04469	0.2
79.05507	0.5
81.03414	2.5
81.07046	0.2
83.01330	0.3
83.04984	0.7
85.02901	6.9
86.03254	0.1
87.04462	3.6
91.03378	0.2
91.03952	3.4
91.05474	0.4
95.05000	0.5
97.02888	17.4
99.04447	1.3
103.03938	0.6
107.04950	0.4
109.02874	0.3
109.06499	0.1
111.04443	1.0
113.02374	0.4
115.03920	7.6
117.05479	0.8
119.04899	0.2
119.08714	0.1
123.04422	0.4
125.02287	0.3
127.03906	0.8
133.04948	3.6
135.04405	0.4
137.02324	0.2
137.05963	0.4
139.03882	2.4
143.03438	0.3
145.04976	0.3
147.04372	0.2
149.02371	0.2
149.04413	0.3
151.03893	0.4
153.05450	0.4
157.04950	2.8
157.06169	0.2
163.03896	0.4
165.05495	0.6
167.07004	0.2
169.04959	0.2
173.55511	0.1
175.06046	0.6
175.55225	0.1
178.07828	0.2
181.04921	0.5
182.99527	0.1
187.06003	0.3
189.06990	0.2
190.07726	0.1
191.08548	0.1
193.04993	0.6
199.05957	0.1
205.06453	0.5
206.07240	0.9
207.08047	0.2
211.06001	2.1
216.05630	0.2
217.06560	0.1
218.07263	0.4
219.08058	0.5
220.05013	0.1
220.08690	0.2
221.05956	0.3
222.06686	0.2
225.09009	0.1
229.07063	3.3
232.05179	0.2
233.05910	1.2
233.11659	0.1
234.06732	2.6
235.07545	0.9
236.08272	0.4
237.00641	1.0
244.05142	0.2
246.06734	0.4
247.07956	2.2
248.08308	1.1
249.05525	0.3
249.09076	2.0
251.06987	0.3
251.10669	0.6
253.08604	0.2
261.05426	0.6
262.06232	1.7
263.07010	1.7
264.07794	1.0
265.09125	4.5
266.09311	0.2
267.10092	0.3
274.06238	0.4
275.07010	0.4
276.07755	0.9
277.05505	0.4
277.08563	8.4
278.09235	0.8
279.06744	0.3
279.10083	2.0
280.07254	0.2
289.04868	0.4
290.05679	0.7
291.06503	2.4
291.09692	0.1
292.07181	0.8
293.04553	0.1
293.08035	0.3
294.08804	0.7
295.06525	0.1
295.09561	0.5
297.02792	0.1
302.05737	0.2
303.06339	0.3
304.07254	0.4
305.08044	9.8
306.05527	0.1
306.08667	0.4
307.06302	0.2
307.09616	2.4
308.06570	0.1
309.02875	0.1
309.07721	0.2
309.11127	1.8
318.05130	0.3
319.05948	2.7
319.08737	0.1
320.06793	0.5
321.07574	0.4
323.09143	1.7
325.10565	0.4
327.03769	0.4
332.06686	0.2
333.07544	12.5
334.07889	0.4
335.05478	0.2
335.09100	3.1
335.13153	0.1
336.06000	0.2
336.09827	0.2
337.10657	5.5
338.11328	0.1
348.06055	0.1
349.06970	0.3
350.08002	0.1
351.08594	8.4
352.08960	0.3
363.08591	11.2
364.08655	0.2
370.05725	0.1
374.10461	0.1
381.09637	100.0
382.10004	2.4
459.10431	0.2
495.12714	0.3
513.13843	0.9
522.41138	0.1
645.17682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71539	0.3
67.05507	3.0
69.07058	1.3
77.03940	1.0
79.05483	4.3
81.03410	0.5
81.07039	2.2
82.07383	0.3
83.04967	0.7
83.08617	0.6
85.02912	0.3
91.05474	2.1
93.07040	1.8
94.07370	0.5
95.04962	1.6
95.08605	1.2
97.02882	0.4
97.06493	0.4
97.10180	0.4
103.05456	0.9
105.03391	0.9
105.04517	0.5
105.07024	1.2
107.04947	1.1
107.08594	1.1
108.08832	0.3
109.10131	0.7
110.10526	0.3
111.08041	0.4
112.07581	0.5
113.06000	0.4
115.05450	0.6
117.07040	0.6
119.08562	1.1
121.06507	0.5
121.10141	0.9
123.08054	0.4
127.05423	0.3
128.06253	0.7
129.06990	1.3
131.04913	1.2
131.08585	0.7
133.10127	0.8
135.04405	78.0
135.11693	0.7
136.04776	0.3
137.05983	1.0
143.04918	2.2
143.05959	0.5
143.08665	0.3
145.06540	0.4
145.10117	0.7
150.06749	0.4
151.07535	8.9
155.04893	1.1
159.11719	0.6
163.07506	2.2
165.09120	2.7
167.07027	6.2
171.04372	1.1
177.09091	3.3
185.05968	100.0
186.06343	0.9
187.07463	0.5
189.09113	0.9
199.03841	7.0
199.05475	0.4
201.09114	1.2
203.10635	1.0
217.12265	1.0
219.08006	0.5
219.10078	0.5
229.04947	22.6
232.73906	0.3
233.11751	1.7
240.06511	0.2
267.06631	0.5
269.17529	0.9
272.12469	0.3
275.06973	0.3
275.20029	0.6
276.20618	0.7
277.08496	0.4
303.04980	1.2
304.05164	0.6
307.13068	0.6
308.14203	0.4
316.22733	0.3
339.15845	7.2
349.23795	0.6
350.24020	0.5
351.08594	6.3
357.70944	0.3
371.14020	0.5
371.18494	7.9
389.19348	0.6
435.68445	0.3
464.30569	0.3
498.42844	0.3
543.36090	0.4
544.36981	0.7
601.03613	0.4
640.10657	0.3
720.85718	0.4
792.68933	0.3
857.45245	1.1
858.46960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4814
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02923	2.6
67.05504	4.2
69.03426	2.7
69.07063	3.1
71.01339	0.4
71.05018	0.3
73.02908	2.9
74.07233	0.4
79.05492	2.7
81.03409	1.7
81.07053	4.7
81.07484	0.3
83.04981	0.6
83.08627	1.2
85.02898	3.1
88.90385	0.3
91.03953	1.5
91.05462	2.7
93.07033	2.3
95.04985	1.0
95.08592	1.9
97.02893	2.6
97.06551	0.4
97.10213	1.1
98.68904	0.3
99.04486	0.6
101.02412	1.1
105.07055	1.5
107.04969	0.7
107.08588	1.7
109.02904	0.6
109.06543	0.5
109.10178	1.4
117.07028	1.2
119.08607	1.3
120.23763	0.3
121.06512	0.4
125.09676	1.1
127.03945	0.9
129.07066	0.5
131.08603	1.0
133.10162	0.8
135.04437	0.6
135.08083	0.5
135.11766	0.7
143.53308	0.3
145.10136	0.8
147.11656	0.4
150.25476	0.3
159.11772	0.4
172.58087	0.3
185.04308	0.6
185.05951	0.3
185.13324	0.3
189.11308	0.4
203.05251	0.5
207.00301	0.4
223.13374	1.2
243.08379	4.0
258.39557	0.3
273.18546	0.5
288.21301	0.3
291.19568	1.1
301.09311	0.5
303.05167	0.4
306.22675	0.3
313.09329	0.3
315.10602	0.3
331.19022	1.3
333.20566	1.3
336.26407	0.4
387.21570	1.0
389.22833	0.5
407.54340	0.3
439.19659	1.1
453.21268	0.9
549.26709	4.5
551.28461	5.4
611.30707	0.4
859.48047	100.0
860.48260	5.2
871.53937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.0
67.05504	3.7
69.03422	2.1
69.07073	3.0
69.80260	1.0
71.04990	0.5
73.02914	2.7
79.05496	3.4
81.03407	1.8
81.07051	4.1
83.04983	0.6
83.08616	1.1
83.29914	0.3
85.02899	2.8
91.03964	1.6
91.05484	2.9
93.07040	3.7
95.04983	1.1
95.08620	1.8
96.94810	0.3
97.02896	3.2
97.06504	0.8
97.10168	1.1
98.22709	0.4
99.04477	0.8
101.02395	1.1
105.04498	0.3
105.07023	2.2
107.04977	0.4
107.08598	2.7
109.02872	0.5
109.06548	0.4
109.10181	1.4
117.07009	0.7
119.08613	1.3
121.10162	0.9
123.08076	0.5
123.11726	0.5
125.09646	0.8
127.03922	0.9
131.08585	1.0
133.10147	1.2
135.04485	0.5
135.11702	0.9
145.10168	0.7
147.11720	0.6
160.45293	0.3
161.13339	0.4
173.65616	0.4
185.04282	0.5
185.05933	0.8
200.65672	0.4
201.03699	0.4
223.13339	0.9
243.08426	4.2
263.12589	0.3
273.18729	0.4
291.19720	0.6
301.08896	0.4
313.09152	0.4
315.10425	0.5
331.18881	1.9
332.98495	0.3
333.20407	0.9
335.25970	0.4
387.21674	0.9
439.19574	1.4
453.21030	0.8
517.39276	0.4
549.26831	5.5
551.28314	5.8
552.28619	0.5
761.40430	0.6
850.29926	0.3
859.48059	100.0
860.48480	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15172	0.4
69.66237	1.4
78.69293	0.4
98.23373	0.8
98.44324	0.4
135.38478	0.4
203.05324	0.8
245.06592	0.4
269.36234	0.4
289.09079	0.5
291.19763	0.5
292.17975	0.4
301.20218	0.6
305.08682	0.4
311.93130	0.4
329.08652	0.4
347.09409	6.3
347.13275	0.4
365.10471	3.4
407.11572	0.8
421.13550	0.9
437.13113	0.4
451.14474	1.2
503.95676	0.5
509.14713	4.0
537.30243	5.4
694.85663	0.4
699.23016	0.6
699.35431	10.5
716.70813	0.4
735.93616	0.4
790.62189	0.4
861.40759	100.0
862.41284	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
67.05504	5.0
69.03422	2.2
69.07062	2.6
69.27753	2.9
71.05001	0.7
73.02909	3.4
79.05494	4.1
81.03423	2.1
81.07043	5.4
83.05000	1.0
83.08647	0.8
85.02899	4.1
91.03938	2.2
91.05479	4.0
93.07045	4.0
95.04991	1.6
95.08595	2.5
97.02895	4.2
97.06528	0.7
97.10172	0.9
98.22639	0.9
99.04430	0.6
101.02412	1.4
103.03996	0.6
105.04576	0.5
105.07051	2.0
107.07983	0.5
107.08578	2.5
109.02891	1.3
109.06471	0.6
109.10149	0.7
109.29538	0.5
111.08100	0.6
117.07001	0.5
119.08595	1.7
121.10168	0.7
127.03931	1.3
131.08585	1.0
133.10185	1.1
135.04404	2.2
135.11670	0.9
136.04790	1.1
138.17891	0.4
139.11047	0.4
145.10132	0.7
147.11731	0.6
159.11734	0.5
166.86438	0.5
185.04408	1.0
185.06021	2.5
186.06387	1.2
187.06593	0.7
219.56702	0.5
229.05069	0.7
230.05376	0.7
243.08391	3.5
306.84387	0.4
333.20258	3.1
389.23218	0.7
439.19299	2.5
453.21063	2.8
469.20639	1.2
539.97412	0.5
551.28198	11.3
637.30566	0.6
861.49585	100.0
862.49762	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.8
65.03947	0.5
67.05498	4.1
69.03437	2.0
69.07070	4.3
71.01344	0.4
71.46934	0.6
71.71548	0.5
73.02917	2.8
78.25987	0.4
79.05479	4.4
79.09916	0.4
81.03431	1.8
81.07056	4.1
81.54359	0.4
83.04959	0.6
83.08616	0.6
85.02899	2.6
85.06503	0.5
91.03937	2.2
91.05466	2.2
93.07044	3.3
95.04991	1.9
95.08613	2.1
96.12604	0.4
97.02876	3.4
97.06532	0.6
97.10149	0.9
101.02370	1.0
105.07057	1.5
107.04919	0.6
107.08597	1.7
109.06481	0.6
109.10175	1.3
117.07033	0.5
119.08588	1.8
121.06472	0.4
121.10180	0.8
125.09608	0.7
127.03934	0.8
129.07001	0.7
131.08614	0.8
133.10187	1.4
135.11705	0.7
136.48167	0.4
145.10136	0.5
147.11705	0.6
153.98354	0.4
185.04259	0.5
192.29028	0.4
243.08295	2.9
268.67731	0.4
283.96164	0.5
296.90256	0.5
301.09052	0.7
315.19296	0.6
324.81384	0.5
333.20273	3.3
439.19574	1.5
453.20972	1.5
465.44034	0.6
551.28192	10.6
579.17993	0.5
651.33472	0.6
668.89661	0.5
699.44080	0.7
746.57648	0.5
861.49530	100.0
862.49768	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12952	0.2
63.02370	0.2
65.03925	0.3
66.78642	0.2
67.05515	0.3
70.47720	0.3
71.04990	0.2
77.03902	0.2
78.04690	0.7
79.05493	1.8
81.07047	0.3
85.02885	0.2
91.05483	1.9
93.07029	0.6
95.04953	0.7
98.22740	0.3
103.05466	0.6
105.03373	0.3
105.04483	0.3
105.07018	0.8
106.04148	0.4
107.04951	4.5
108.05692	0.3
115.05450	0.6
117.06956	0.4
118.04166	0.2
119.04927	1.8
120.05742	0.2
121.06515	1.9
122.03609	0.5
123.04430	1.5
124.05210	1.0
125.05975	0.3
128.06241	0.4
129.06989	0.6
131.04912	0.5
133.02847	2.6
133.06448	0.5
133.10025	0.3
135.04408	0.5
136.05173	0.7
137.05977	4.4
138.06671	0.2
141.07010	0.3
143.04912	0.2
143.08568	0.4
145.06464	1.6
146.07233	0.8
147.04408	2.1
147.07933	0.2
149.06012	1.0
150.06726	0.6
151.03922	0.5
151.07538	12.7
152.04683	0.6
153.07014	0.6
154.07726	0.4
155.08504	0.4
157.06451	1.4
158.07259	0.6
159.04425	0.2
159.08064	0.5
161.05894	0.9
163.07541	0.4
165.05470	0.7
165.09114	4.2
166.06194	0.4
167.07028	31.4
168.05721	0.3
168.07268	0.2
169.06447	1.0
170.07281	0.7
171.08063	2.3
172.08827	2.6
173.05908	1.1
173.09599	0.4
174.06769	1.2
174.10370	0.8
175.07484	0.3
176.08281	0.4
177.05510	0.3
177.09109	3.5
179.06995	1.6
181.08601	3.0
183.08046	1.0
184.07297	0.4
184.08841	4.8
185.05930	1.5
185.09532	0.7
186.06578	0.3
187.07532	0.5
188.06606	0.2
188.08325	6.5
189.09097	8.9
190.09863	0.4
191.10616	0.3
193.08588	1.8
199.07536	0.6
200.08327	4.5
201.09079	2.9
202.09845	0.7
203.08765	0.4
203.10648	7.9
205.08728	0.9
205.12247	1.6
215.10663	29.8
216.07706	0.3
216.11032	0.5
217.08473	0.3
217.12196	0.5
218.09360	0.9
219.08037	0.4
223.84372	0.2
225.09111	0.2
231.08099	0.4
231.10181	1.0
233.09700	0.6
233.11714	13.6
234.06631	0.2
234.12193	0.2
235.11339	0.2
237.09238	0.2
245.09560	0.7
245.11746	0.6
246.10342	0.7
247.07504	0.8
247.11331	0.3
248.08490	0.3
249.08942	0.3
249.11288	0.4
251.10719	0.5
253.08670	0.3
255.09921	0.5
259.07532	0.3
261.09067	1.3
262.09863	1.4
263.10675	1.1
273.09106	0.4
274.09912	1.2
275.12762	100.0
276.13239	1.7
277.08646	1.2
277.12201	2.2
278.09473	0.4
278.12866	0.6
279.10175	0.9
283.09515	0.2
284.10184	0.2
289.08600	0.3
290.09363	1.0
291.09573	1.5
291.12445	0.8
292.10724	0.3
293.11780	0.3
294.09143	0.2
294.12476	0.8
304.10822	0.2
305.11676	4.7
306.12549	0.9
307.09689	0.8
307.13043	0.2
308.10321	0.3
309.11157	0.9
309.14838	1.7
315.12253	0.5
319.13245	0.3
321.11081	0.5
322.11929	0.8
323.12817	0.4
337.14325	8.2
337.18384	0.5
338.15137	0.9
339.15930	0.3
341.13660	0.3
354.14600	0.4
355.15320	0.2
355.19217	0.5
367.19235	0.3
369.16946	12.8
371.18628	0.5
397.16397	3.6
429.19312	0.9
457.18628	2.1
487.23209	0.8
489.21008	0.5
552.19592	0.2
695.02106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.6319
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95601	0.8
68.05028	9.3
72.08153	21.0
83.06098	4.3
83.08616	3.4
84.04506	5.6
86.06065	100.0
86.09697	13.2
98.23558	1.5
100.11256	2.5
100.71011	0.8
101.07157	2.0
117.10253	2.8
118.12288	7.4
128.10722	4.2
129.06609	4.1
131.13773	0.8
146.62914	0.9
162.99802	0.9
185.16441	2.0
199.14409	79.7
210.16043	3.0
211.14413	5.1
227.13893	42.8
228.13504	2.1
228.17082	11.9
229.15477	9.2
246.18103	3.6
268.26382	2.7
296.25806	7.8
298.21387	1.0
326.20731	21.7
327.23990	2.1
409.30548	12.3
454.26581	16.3
522.39087	20.2
553.37317	4.4
554.35663	2.9
571.38159	32.4
616.97931	1.0
621.45935	10.9
848.62006	4.8
849.61041	2.0
866.62384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49568	0.5
69.07075	3.4
71.08625	0.9
72.08138	1.0
83.08621	3.3
84.04482	0.5
95.08604	0.5
97.10173	3.6
98.23553	0.7
101.07160	1.0
107.08578	0.5
110.51335	0.4
111.11738	1.0
130.17961	0.5
134.98183	11.9
176.99347	0.6
209.01837	1.9
250.95700	0.5
264.97369	1.1
282.98257	1.3
311.25864	7.3
351.25229	1.8
407.71579	0.5
413.20523	1.0
427.22302	0.7
445.23282	100.0
446.23764	1.1
551.25964	0.5
569.42535	0.6
841.52899	0.5
867.49884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14443	0.9
69.14851	1.4
70.06625	0.3
84.73769	0.3
91.05489	0.7
95.01113	1.0
98.23441	0.8
103.05466	0.4
107.04958	0.5
113.02094	0.7
121.47103	0.4
133.02924	0.5
137.05966	0.4
151.07542	8.3
152.78030	0.4
163.07498	0.4
165.09190	0.4
167.07004	2.4
177.09161	0.5
185.04231	2.0
189.05222	20.6
189.09097	0.7
195.06287	8.4
201.09056	0.7
203.05420	1.3
203.10686	0.8
213.08945	0.5
226.04131	0.4
227.10475	0.7
287.12558	8.7
290.60086	0.4
437.15863	0.6
483.19995	0.5
497.17703	2.9
512.20410	1.5
513.20789	2.0
661.25977	3.2
871.33527	100.0
872.33826	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92271	0.3
69.29933	1.5
70.73655	0.2
74.54871	0.3
83.01112	0.5
84.01900	0.4
91.05463	0.4
95.01098	1.4
96.01913	0.5
107.04958	0.7
111.22089	0.2
112.01337	0.7
113.02129	1.8
120.46512	0.3
121.06546	0.4
133.02858	0.6
137.05946	0.5
146.07159	0.3
147.04410	0.3
151.07544	10.7
151.08720	0.6
157.04759	0.4
157.30467	0.3
159.08037	0.2
163.07547	0.2
165.05394	0.3
165.09206	0.5
167.03220	0.6
167.07022	2.9
173.09618	0.3
175.03781	0.3
176.04448	0.3
177.09026	0.7
185.04195	3.1
185.05673	0.3
187.07545	0.3
189.05217	27.1
189.09091	0.9
193.08621	0.3
195.06274	12.2
201.03773	0.4
203.05237	1.6
203.10730	0.7
204.11472	0.6
207.06354	0.4
213.09033	0.4
215.10878	0.3
227.10493	0.7
230.08073	0.4
267.91891	0.2
287.12543	11.4
305.11713	0.4
437.15652	0.5
453.18970	0.7
483.19791	0.4
497.17755	3.7
511.19943	0.4
511.27155	0.3
512.20154	1.8
513.20874	2.7
601.24084	0.5
661.25702	1.8
691.26617	0.4
811.31982	0.3
871.33490	100.0
872.33521	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02678	0.3
61.02934	3.8
66.94859	0.3
69.03431	16.6
69.59027	0.8
71.01337	1.2
71.04967	0.5
73.02920	9.1
75.44483	0.3
81.03421	2.4
83.04977	0.5
85.02911	7.8
87.04488	3.1
91.03961	2.9
95.04973	0.5
97.02896	16.8
99.04449	1.5
103.03933	0.8
107.04990	0.4
111.04431	0.6
113.02386	0.3
115.03936	6.8
116.06235	0.3
117.05477	0.6
123.04428	0.3
127.03922	1.0
133.04961	2.8
135.04353	0.3
137.05951	0.4
139.03925	2.7
145.04955	0.4
151.03897	0.5
153.05455	0.3
157.04953	2.4
163.03915	0.8
165.05508	0.6
169.04962	0.3
173.09531	0.5
175.06029	0.4
181.04977	0.6
187.11208	0.3
193.04984	0.4
205.06520	0.3
206.07303	0.7
206.49147	0.3
211.06078	1.7
229.07068	2.8
233.06105	0.9
233.11859	0.4
234.06688	2.3
235.07452	0.9
236.08438	0.5
237.00656	0.6
247.07968	2.1
248.08340	0.8
249.09073	1.2
251.10666	0.7
261.05389	0.6
262.06277	1.7
263.06992	1.2
264.07788	1.1
265.09161	4.4
270.43469	0.3
275.07098	0.4
276.07761	1.2
277.08603	9.0
278.09296	0.7
279.06961	0.6
279.10162	2.3
289.04874	0.3
290.05743	0.9
291.06384	2.5
292.07291	0.4
293.07922	0.4
294.08972	0.7
295.09604	0.8
304.07419	0.3
305.04947	0.3
305.08057	9.2
306.08456	0.5
307.09634	2.8
309.11258	1.8
319.05942	3.1
320.06448	0.3
322.08667	0.4
323.08997	1.7
327.03854	0.3
333.07584	12.5
334.07877	0.3
335.09125	3.4
337.10699	6.2
351.08618	8.3
363.08621	12.7
381.09677	100.0
382.09930	2.7
396.02609	0.3
406.63272	0.3
495.12811	0.7
513.13702	2.5
634.24292	0.3
645.18158	2.5
725.13934	1.7
749.30548	0.4
749.47601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81617	0.3
81.07050	0.3
88.16586	0.3
97.02850	0.7
98.22625	0.5
101.84365	0.2
120.21899	0.2
148.96175	0.3
187.89380	0.2
195.09909	0.3
245.40425	0.3
329.34488	0.2
331.18771	100.0
332.19281	1.4
403.07898	9.9
467.30310	0.3
577.13129	46.8
578.13501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89275	0.7
67.05506	2.8
70.98119	1.0
71.03022	0.8
71.37157	0.7
79.05504	0.8
81.07058	2.4
93.07069	1.2
95.04961	0.8
97.10221	1.0
98.91976	0.9
98.97581	25.9
108.06824	0.7
109.10170	2.0
116.98620	19.1
119.08608	1.2
125.09660	1.2
133.41360	0.8
134.99654	6.2
140.00192	1.8
147.55836	0.7
158.01302	1.1
173.11725	0.9
198.06932	0.9
227.12761	1.1
229.14320	1.2
238.98152	0.9
257.13809	1.7
284.15808	0.9
301.16492	2.3
337.03864	2.8
347.02216	1.4
347.09061	1.2
349.03857	1.8
351.05450	1.0
352.02609	1.7
352.06467	0.9
353.03131	1.9
355.04810	1.1
363.01385	1.6
365.03287	7.2
366.04160	1.1
367.04834	2.3
368.01901	1.0
371.04565	1.7
377.03091	2.3
378.04141	1.3
380.01788	2.2
380.05627	3.7
381.02753	3.0
381.06891	1.0
383.04361	4.2
391.01373	1.7
392.06015	2.3
393.02689	1.2
393.07190	1.0
394.03223	1.0
395.04410	5.5
396.05289	1.4
398.02618	1.6
398.06821	2.7
399.03772	2.6
404.02136	2.9
409.02292	3.2
410.06827	17.3
411.03516	1.5
413.05579	2.7
418.04172	1.0
419.04443	6.5
421.02426	3.1
422.03064	1.6
424.04681	1.3
425.05322	2.5
427.03314	1.6
428.07819	10.3
433.01953	0.9
433.07712	1.0
434.06836	3.2
436.04391	1.3
437.05692	5.8
439.03348	7.5
448.04630	1.0
450.02612	4.2
451.09357	1.0
452.07718	2.7
454.05740	4.9
455.06375	2.0
457.04340	6.6
463.03308	4.6
468.03436	2.2
472.06863	3.7
478.05692	69.6
479.06262	1.7
481.04025	4.1
493.08023	48.5
494.09052	1.3
496.06747	26.2
511.09116	100.0
512.09070	2.1
519.08435	6.3
529.10199	3.9
534.10730	18.7
535.10626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91800	0.5
71.46627	0.5
71.71228	0.5
79.05502	0.6
117.07019	0.6
231.48662	0.6
289.17471	0.5
297.96252	0.6
528.18311	0.7
677.23877	0.8
887.30859	100.0
888.30896	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16650	0.5
91.65103	0.6
113.72389	0.5
179.04243	1.0
233.09007	0.7
264.36603	0.5
316.58499	0.6
320.19376	0.9
367.23260	2.5
421.24289	0.8
430.30640	0.7
448.25479	1.0
448.31500	0.7
448.94830	0.6
474.32986	1.1
477.17862	0.6
480.32089	0.7
490.30682	0.6
516.37689	17.4
593.36676	2.3
615.44556	10.3
642.45923	1.3
660.46698	2.8
743.50348	5.7
870.59930	1.3
888.61359	100.0
889.61755	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22290	0.7
69.03432	12.4
70.06605	0.8
71.01355	0.7
71.04964	0.6
71.22185	0.6
73.02914	8.4
79.05470	0.9
81.03403	2.4
85.02904	5.0
87.04461	2.1
91.03950	2.8
95.04966	0.7
97.02891	13.6
99.04428	1.2
105.07060	0.7
115.03936	5.8
133.04951	2.4
138.22484	0.6
139.03896	1.9
144.70760	0.8
151.07613	0.7
157.05025	1.0
177.84573	0.6
211.05917	1.7
219.07942	0.7
220.63387	0.7
229.07071	1.9
234.06754	1.7
247.08044	1.4
249.08992	1.2
251.10626	0.7
262.06342	1.4
263.07120	0.9
265.09143	6.3
277.08566	6.6
278.09482	0.9
279.10175	1.4
291.06497	1.4
295.09744	1.0
305.08109	7.8
307.09613	2.0
309.11090	1.4
319.06018	1.7
323.09140	1.3
333.07562	10.9
335.08975	1.9
337.10709	6.2
351.08582	6.7
352.08777	0.8
363.08621	10.6
381.09662	100.0
382.10034	3.2
513.13928	2.8
534.29260	0.8
645.17932	6.8
725.13715	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.6847
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80704	0.2
65.79970	0.2
67.05519	0.5
69.07070	0.4
69.54679	0.5
69.55074	0.4
70.06586	1.2
71.41888	0.2
81.07053	0.6
82.06580	1.9
83.04996	1.0
83.08629	7.5
84.08141	0.7
85.06535	0.7
91.05486	0.3
96.08114	0.4
97.06528	0.3
98.09703	1.2
100.07629	2.5
100.11260	44.9
101.11583	0.3
110.06058	2.0
111.04445	5.6
111.05170	0.4
112.07621	1.5
112.11217	0.2
117.13909	1.1
126.09171	0.8
127.08673	1.5
128.07091	4.4
129.05479	0.2
137.06026	0.3
139.08664	3.3
140.07088	1.9
147.11719	0.4
148.77946	0.2
149.13232	0.3
155.26521	0.2
164.14436	0.8
166.15952	0.7
168.13924	0.4
177.05518	0.2
181.04936	0.2
182.15413	20.3
184.20865	0.2
192.13924	0.8
207.06636	0.6
209.16501	22.0
210.14900	26.5
226.19156	4.2
227.17572	1.7
228.15967	3.2
245.18570	0.3
308.27057	0.9
309.25235	1.5
326.28027	4.5
335.24295	0.6
336.22824	4.3
337.21109	1.5
343.30630	1.7
434.35135	0.3
435.33383	2.4
436.31790	0.8
452.36026	2.7
453.34494	1.5
534.44110	0.4
542.95630	0.2
552.44678	1.8
562.39502	0.3
569.47791	0.3
661.50079	3.1
679.51166	100.0
680.51642	2.4
703.37659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46683	0.4
72.31278	0.3
91.05492	0.4
95.01125	1.1
105.07014	0.5
107.04979	1.3
113.02148	0.8
121.06523	0.7
131.04945	0.3
137.05971	0.4
146.08017	0.3
151.07533	10.4
162.79712	0.3
163.04028	0.4
165.09190	0.8
167.07048	4.2
177.09163	0.8
179.07190	0.4
185.02898	0.4
185.04202	1.6
189.05212	27.9
195.06281	10.0
201.09093	0.4
203.05301	1.7
203.10741	1.0
204.11462	0.6
205.72974	0.3
215.10779	0.5
217.12335	0.4
217.70247	0.4
217.93863	0.3
227.10567	0.7
232.07076	0.5
233.07965	0.8
264.13638	0.5
287.12527	11.0
437.15845	0.5
453.18774	0.6
497.17706	3.0
511.19479	0.5
512.20013	2.1
513.20728	2.1
607.21851	0.6
631.25543	0.7
683.38385	0.4
691.27283	4.1
721.28058	0.9
901.34528	100.0
902.34497	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27690	0.3
69.44733	0.8
69.45123	0.7
79.83807	0.3
83.21315	0.4
88.54726	0.3
91.05498	0.5
95.05025	0.4
107.04977	1.4
113.02191	0.3
151.07544	9.0
151.08733	0.5
163.04005	0.6
167.03217	0.4
167.07045	3.7
170.99300	0.3
173.21727	0.3
177.09201	0.5
179.07367	0.3
181.08617	0.4
185.04266	1.5
189.05223	20.5
189.09209	1.0
195.06281	7.9
203.05339	1.1
203.10809	0.5
215.10754	0.5
222.92505	0.3
227.10558	0.6
230.07896	0.5
231.10628	0.4
232.07143	0.5
247.38045	0.4
276.95190	0.3
286.48001	0.3
287.12503	9.2
287.15399	0.6
331.43866	0.4
338.80615	0.4
453.19116	0.4
497.17810	2.5
511.19412	0.4
512.20557	1.8
513.21039	2.2
607.22052	0.6
631.25183	1.0
691.27222	3.7
721.28156	0.8
901.34534	100.0
902.34857	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17271	0.1
69.03425	10.9
71.01342	0.4
73.02911	3.8
75.04480	0.3
81.03416	0.6
81.07047	0.2
83.01358	0.2
83.04986	0.3
85.02901	6.8
87.04465	5.6
87.05006	0.2
90.90845	0.1
91.05495	0.2
93.83931	0.1
95.04962	0.2
95.08620	0.1
97.02885	10.4
99.04459	0.3
103.03948	0.2
109.02862	0.4
111.04433	0.4
115.03107	0.3
115.03922	6.1
123.04411	0.2
127.03899	0.6
131.08595	0.1
133.04962	4.7
137.05965	0.1
139.03893	0.4
145.04936	0.3
149.06024	0.1
151.03925	0.3
157.04982	0.3
163.04025	0.2
165.05534	0.3
175.06067	0.1
193.04956	0.2
205.06551	0.4
206.07251	0.6
207.08093	0.2
208.08786	0.2
211.05977	0.4
216.05748	0.2
217.06548	0.2
218.07269	0.1
219.07971	0.4
220.05251	0.1
220.08887	0.3
221.06042	0.2
222.06746	0.2
229.07124	0.5
232.05199	0.1
233.05962	1.0
234.06725	2.6
235.07562	0.8
236.08301	0.5
239.10638	0.1
245.06053	0.1
246.06708	0.3
247.07712	1.1
248.08359	1.0
248.18408	0.1
249.05426	0.2
249.09081	1.5
250.06313	0.1
251.07135	0.4
251.10735	0.5
253.08522	0.2
259.08142	0.1
261.05481	0.4
262.06235	1.9
263.07034	1.8
264.07770	1.0
265.05252	0.1
265.08771	0.6
266.09290	0.3
267.10193	0.4
274.06262	0.5
275.06961	0.6
276.04813	0.1
276.07846	1.0
277.08578	9.2
278.06693	0.1
278.09302	0.8
279.06900	0.3
279.10107	2.0
280.07413	0.3
280.10306	0.1
289.05057	0.2
290.05740	0.7
291.06461	2.1
292.07083	0.8
293.08020	0.5
294.08716	0.7
295.06595	0.2
295.09665	1.0
302.05759	0.3
303.06531	0.2
304.07300	0.5
305.08054	10.6
306.08630	0.5
307.06134	0.2
307.09589	2.3
309.07867	0.2
309.11185	1.8
318.05026	0.2
319.05988	2.9
320.06708	0.5
321.07632	0.4
323.09100	1.7
325.10696	0.4
331.05963	0.3
332.06625	0.3
333.07547	12.2
334.08105	0.5
335.09149	2.7
337.10672	6.6
349.07019	0.3
351.08603	8.0
353.10046	0.2
363.08588	13.2
364.09064	0.2
366.07574	0.2
374.10428	0.1
381.09644	100.0
382.10001	2.4
495.12784	0.4
513.13910	5.1
514.14032	0.2
645.18030	1.2
675.19232	3.1
681.13354	0.1
755.14319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2655
Annotation	Ciliatoside B
Peak:m/z	Relative Intensity
67.05486	0.4
69.03426	17.4
69.60168	0.3
69.80519	0.9
71.01350	1.1
71.04994	0.3
73.02911	6.8
79.05485	0.4
81.03412	1.5
83.01325	0.9
83.04961	1.0
85.02902	7.1
87.04462	3.5
91.03945	0.5
91.05472	0.4
95.04958	0.8
97.02888	20.9
99.04449	1.6
103.03929	1.2
107.04948	0.5
109.02847	0.6
109.06515	0.4
111.04465	1.9
113.02340	0.7
115.03925	10.9
117.05515	1.0
120.84023	0.3
123.04403	1.0
127.03893	1.6
133.04965	4.4
135.04417	0.7
137.05977	0.9
139.03868	1.7
145.04988	0.7
149.04483	1.0
151.03923	1.0
153.05446	0.5
157.04958	3.5
163.03903	0.6
165.05540	0.4
166.96898	0.3
169.04945	0.8
175.06000	0.8
181.04945	0.8
189.06888	0.4
193.05040	0.8
206.07317	0.4
211.05989	4.2
218.54871	0.4
219.07953	0.4
229.07053	5.8
233.06010	0.6
234.06757	1.6
235.07460	0.6
247.08052	3.4
248.08394	0.7
249.09093	1.4
251.10638	0.7
261.05533	0.5
262.06216	1.1
263.07047	1.5
264.07837	0.5
265.09109	3.4
274.06149	0.4
275.07077	0.5
276.07806	0.7
277.08557	6.3
277.11331	0.3
278.09338	0.7
279.10141	1.4
290.05670	0.3
291.06470	1.3
293.08429	0.3
295.09836	0.4
305.08044	8.0
305.11533	0.5
306.08801	0.7
307.09543	1.6
309.11133	1.3
319.06049	2.5
320.07083	0.5
323.09134	1.3
325.10468	0.4
327.93082	0.4
333.07571	8.7
335.09155	2.5
337.10663	5.1
351.08600	7.1
363.08594	10.0
381.09656	100.0
382.09958	2.1
399.09329	0.4
477.71732	0.3
495.12701	0.4
513.13763	1.8
645.18152	2.5
909.36987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67967	0.3
71.40376	0.3
71.95251	0.4
85.29384	0.3
98.97546	0.7
110.97572	0.7
116.98608	0.3
128.98578	1.2
131.00133	0.4
137.02701	0.4
139.00677	0.4
146.99683	0.6
149.01122	0.4
153.02191	0.5
161.01244	0.5
164.92087	0.4
167.03792	0.3
171.03281	0.9
181.05319	0.6
183.03229	0.4
184.04041	0.4
185.04849	2.9
189.04353	0.5
199.06425	5.1
203.05928	2.9
205.01747	0.4
205.07455	1.1
208.04065	0.6
210.01967	0.8
211.06406	0.6
213.08031	0.5
217.07477	5.4
219.03285	1.1
223.02721	1.9
223.06285	0.5
223.08473	0.4
225.07968	0.6
226.05133	1.7
231.06847	0.5
231.34169	0.3
237.04344	2.9
237.07996	0.6
238.05136	0.8
239.09534	0.6
243.09061	0.4
245.10489	0.3
249.07913	0.4
251.05989	0.6
252.06631	0.4
253.11098	1.2
255.05397	0.3
261.07855	0.3
262.08813	1.5
267.09082	2.5
267.11975	0.3
271.12338	0.3
279.08783	1.4
280.09842	3.5
281.10651	1.1
285.10089	0.8
289.14783	0.6
293.10873	0.5
293.14008	0.3
298.10861	1.1
299.11716	0.6
303.11172	0.5
303.16266	0.4
307.12646	0.4
307.15686	1.8
313.14807	0.5
319.15549	0.4
325.17017	0.5
331.15778	30.2
349.16870	100.0
350.17029	0.8
367.17889	2.5
372.18469	11.5
373.18576	0.4
406.19046	0.6
623.36182	90.0
624.36621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06610	0.5
65.03925	0.7
67.05165	0.6
67.05505	9.8
69.03426	15.4
69.07066	6.2
71.01353	1.7
71.04995	1.2
71.53119	0.4
73.02917	18.7
79.05489	3.4
81.03424	2.8
81.07053	18.6
83.04956	0.5
83.08608	3.4
85.02902	31.0
87.04473	1.2
91.03947	0.9
91.05474	4.0
93.07043	10.8
95.04990	0.6
95.08602	45.8
97.02887	25.3
97.10156	2.8
99.04447	1.4
105.07021	8.6
107.08589	21.0
109.02879	2.8
109.10152	45.0
111.08088	0.7
111.11721	3.0
115.03923	13.9
119.08573	13.1
121.10141	23.4
123.07972	0.5
123.11702	12.2
125.09595	1.1
125.13400	0.5
127.03907	8.8
127.11201	1.2
131.08574	1.3
133.04971	3.0
133.10127	8.6
135.11684	13.3
137.13246	4.6
139.11098	0.5
145.04956	10.4
145.10117	4.3
147.11679	11.9
149.13266	9.1
151.14825	1.1
153.12602	0.4
153.30003	0.5
159.11685	7.0
161.13248	15.1
163.06009	5.5
163.14807	12.5
165.12672	1.1
173.13260	2.6
175.14818	6.5
177.16362	7.3
179.14310	1.4
179.17972	0.8
187.14812	9.9
189.16379	11.6
191.17934	28.6
193.19435	0.5
199.14795	0.6
201.16429	2.7
203.17957	10.2
205.15802	0.4
205.19514	6.0
207.17430	15.3
213.16443	0.7
215.17941	2.6
217.07106	0.5
217.19504	43.2
218.19832	0.5
219.17455	2.1
219.21104	1.3
221.18987	3.5
223.05978	1.7
227.17986	0.5
229.19571	1.3
231.21056	1.7
233.19028	2.0
235.20543	26.5
241.07024	2.9
243.21155	1.2
245.22751	1.7
247.20589	1.7
257.22742	0.9
259.08112	3.8
259.24118	0.7
261.22180	1.2
271.24295	1.0
295.10211	10.6
297.25812	3.0
299.27350	1.2
311.27252	1.4
313.28909	1.8
315.26791	5.3
325.11279	5.1
329.28387	3.2
341.28461	0.6
393.09647	3.9
397.38321	1.0
407.36719	25.6
409.37814	0.5
423.36368	0.6
425.37753	100.0
426.38263	2.2
443.38858	21.6
491.34296	0.6
557.42017	1.4
569.42102	0.5
587.34393	0.8
587.43109	11.5
605.88831	0.5
949.69714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.0
69.03407	2.2
69.69994	6.2
71.04982	8.2
77.74857	1.7
81.07076	2.5
83.08608	4.2
84.75728	1.6
85.02898	13.5
90.17831	1.5
91.05476	2.1
93.07036	4.2
95.08579	5.0
111.42566	1.4
129.05515	2.2
143.55743	1.6
151.03902	5.3
185.12924	1.6
215.49725	1.6
275.20163	2.7
280.35312	1.6
302.04019	2.5
313.06934	2.8
314.04361	1.8
317.06503	26.5
325.07056	2.8
329.06534	12.4
338.04242	2.5
341.06592	2.1
353.06488	17.6
355.08160	10.0
367.08124	3.5
395.11285	5.8
409.02121	1.8
424.04504	5.5
437.15692	4.5
439.07205	3.8
442.05722	5.1
451.07013	19.5
457.08011	23.1
465.15408	23.1
469.08139	19.0
475.09204	2.3
480.09433	2.7
481.18671	2.6
483.16476	4.2
492.09628	5.1
591.25665	15.2
609.26910	100.0
610.27271	2.7
675.27179	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	9.3
71.01357	0.8
71.04996	0.4
71.46094	0.1
73.02910	2.6
79.05497	0.2
81.03406	1.6
81.07059	0.2
83.01329	0.2
83.04962	0.6
85.02899	11.6
87.04467	2.2
95.04944	0.5
97.02887	11.6
97.51978	0.2
99.04450	3.8
101.57359	0.1
103.03944	4.3
107.04938	0.3
109.02873	1.2
111.04453	0.9
113.02367	0.3
115.03925	6.5
115.82092	0.2
123.04430	0.3
125.02273	0.2
127.03905	5.3
133.04964	1.8
135.04451	0.3
137.05933	0.2
139.03888	1.3
143.03372	0.4
145.04938	1.9
149.02339	0.2
151.03897	0.3
153.05473	0.2
157.04982	1.6
161.04478	0.3
163.03923	0.2
163.06010	1.3
165.05492	0.4
169.04979	0.2
175.06001	1.3
178.52220	0.2
189.88736	0.2
193.04936	0.4
199.49808	0.2
205.06505	0.3
206.07217	0.5
208.08751	0.2
211.06046	0.9
218.07249	0.2
219.08107	0.5
220.08754	0.2
223.05956	0.2
229.07101	1.7
233.06007	0.5
234.06770	1.3
235.07512	0.5
236.08321	0.2
241.07016	0.3
246.06776	0.3
247.07864	1.3
248.08315	0.9
249.05556	0.2
249.09033	1.0
251.06902	0.3
251.10669	0.4
253.08385	0.2
259.08163	0.4
261.05432	0.3
262.06265	1.0
263.07043	1.2
264.07828	0.8
265.09106	0.9
274.06168	0.3
275.07199	0.3
276.07767	0.7
277.08643	8.4
278.09238	0.8
279.07016	0.2
279.10123	1.6
280.07077	0.2
289.09137	1.6
290.05646	0.6
291.06506	2.0
292.07245	0.5
293.08109	0.4
294.08936	0.7
295.09705	0.4
302.05975	0.2
304.07254	0.2
305.08051	8.9
306.08582	0.4
307.09680	2.0
309.11212	1.5
319.06006	2.1
319.09650	0.2
320.06714	0.4
321.07571	0.2
323.09189	1.1
325.10687	0.4
333.07559	10.1
334.07941	0.2
335.05426	0.2
335.09171	2.1
337.10675	5.5
349.07074	0.3
351.08594	6.3
353.10284	0.2
363.08609	11.3
373.11511	0.4
381.09650	100.0
382.09955	1.4
391.12256	1.3
415.11520	0.2
459.10455	0.3
465.78793	0.2
477.11548	0.2
495.12939	1.3
513.13898	10.6
563.45660	0.2
645.18060	3.6
699.59711	0.2
771.21179	0.5
789.22986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5262
Annotation	Carnosifloside III
Peak:m/z	Relative Intensity
67.05510	5.3
67.57524	0.8
69.03426	13.9
69.07057	4.4
69.14829	5.2
71.01341	0.9
71.04990	13.7
73.02912	13.0
75.04476	72.8
79.05500	4.0
81.03413	4.9
81.07049	10.1
83.04975	23.5
83.08622	1.0
83.26417	0.9
85.02897	95.9
85.06554	0.9
87.04462	3.2
91.03951	4.1
91.05458	4.5
93.07037	7.9
95.04972	1.7
95.08596	14.6
97.02885	21.0
97.06502	1.2
97.10164	3.9
99.04456	4.7
101.05502	0.8
101.06023	7.8
103.03967	0.8
105.07016	13.4
107.08591	14.7
109.02870	7.6
109.06491	1.4
109.10151	11.7
111.04430	14.9
111.08065	2.0
114.25819	0.8
117.06994	3.6
119.08560	9.5
121.10133	10.5
123.11703	3.6
124.20420	0.8
127.03902	25.7
128.06223	0.9
129.05466	15.7
129.06963	1.7
131.08560	6.8
131.63406	0.7
133.10100	6.2
135.11697	6.2
141.07005	1.0
142.07755	0.9
143.08578	8.3
145.04950	41.9
145.10109	14.4
147.06508	14.9
147.11674	10.6
149.13258	7.6
151.11148	1.8
155.08560	6.1
157.10136	8.6
159.11685	7.6
161.13274	5.1
163.06001	18.6
163.14778	2.8
165.12718	1.1
169.10121	6.2
170.10759	0.8
171.11673	7.2
173.13232	9.7
175.14815	5.8
177.12729	1.3
177.16330	2.2
179.14270	1.3
181.10083	0.8
182.10878	0.9
183.11670	3.9
183.24725	0.8
185.13263	3.4
187.14801	22.7
189.16380	3.1
193.15852	1.7
195.11687	1.3
197.13234	3.5
199.06038	2.8
199.14877	4.0
201.16397	8.9
203.17946	1.3
205.15858	9.5
209.13197	1.1
211.14816	3.9
213.16345	9.7
215.18008	4.3
217.07036	4.4
217.15898	1.5
223.14897	1.0
223.16919	1.9
225.16269	4.4
227.17921	6.1
229.19450	1.1
231.17442	1.3
233.18832	1.1
237.07591	2.9
237.16351	1.7
239.17851	5.4
241.19496	6.8
243.17325	1.3
243.20894	1.0
245.18929	2.8
251.17950	3.9
253.19484	7.1
255.08624	3.9
255.21284	1.5
259.20541	3.1
263.20148	1.2
265.19443	1.8
267.21069	8.3
269.22690	1.4
271.20532	1.6
273.09705	9.2
281.22684	1.6
283.20438	1.9
285.22098	3.4
291.10742	3.1
299.23495	1.0
309.11862	5.0
325.11343	5.3
361.28775	2.1
379.30081	1.0
389.31802	1.6
401.31857	3.7
407.32935	6.6
419.33047	22.7
437.34116	100.0
438.34354	1.9
455.35159	79.8
456.35809	1.4
599.39026	1.2
601.40814	1.2
617.40735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.2
68.26187	0.4
69.03434	11.0
69.07067	4.3
70.06592	1.4
71.01358	0.5
71.04997	12.2
72.08160	0.6
73.02921	11.4
75.04482	63.0
79.05496	3.6
81.03419	4.2
81.07059	8.2
81.07499	0.7
83.01345	0.5
83.04981	18.0
83.08619	1.7
85.02907	81.1
86.09683	1.0
87.04475	2.3
91.03966	3.2
91.05473	4.6
93.07042	8.1
95.04995	0.8
95.08612	14.3
95.09220	1.0
97.02894	17.6
97.06555	0.6
97.10188	1.4
99.04440	2.8
101.06020	6.6
105.07029	10.8
107.04946	0.5
107.08594	13.3
109.02861	5.6
109.06522	0.8
109.10153	8.3
111.04445	11.9
111.05169	0.8
111.08100	1.6
115.03929	0.8
117.05525	0.6
117.07011	2.8
119.08586	10.0
121.06538	0.6
121.10144	9.2
123.08066	0.8
123.11700	2.7
125.09597	0.6
127.03914	20.7
128.06273	0.7
129.05476	12.9
129.06921	2.5
131.08569	7.8
133.10121	7.3
135.11678	3.7
135.64684	0.5
137.05981	0.8
137.09653	0.7
139.11060	0.5
141.06999	1.6
142.07780	1.1
143.08586	6.5
144.09300	0.6
145.04967	32.9
145.10123	14.6
145.11220	0.9
147.06529	11.5
147.07634	0.8
147.11681	7.5
148.11188	0.7
149.09619	1.0
149.13268	5.8
151.03902	0.7
151.11224	0.9
155.08556	5.9
156.09369	1.4
157.10129	7.1
158.10866	0.6
159.11713	8.1
161.09798	0.6
161.13263	4.3
163.06021	13.4
163.11172	0.6
163.14821	2.0
169.10144	5.4
170.10902	0.6
171.11703	7.0
173.13266	11.8
175.11227	0.6
175.14803	5.1
177.05423	0.6
177.12840	1.0
177.16383	2.3
179.14423	0.6
181.04977	0.8
181.10138	1.2
182.10979	0.6
183.11710	3.9
185.13254	4.6
187.14825	27.0
189.16428	2.9
193.15950	0.5
195.11656	1.1
196.12479	0.7
197.13289	3.4
198.13985	0.6
199.06068	2.6
199.14827	4.2
201.16391	9.0
203.14323	0.6
203.18062	1.8
205.15875	5.3
207.17575	0.7
209.13249	1.3
211.14815	3.8
213.16405	10.9
215.17953	5.2
217.07022	3.8
217.15913	1.3
219.17381	1.0
223.14845	2.0
223.17070	1.6
225.16399	4.2
227.17928	6.2
229.16031	0.7
229.19728	0.7
231.17528	1.1
233.19026	1.6
237.07634	1.7
237.16434	2.5
239.17909	3.6
241.19521	7.7
243.21114	0.6
245.18997	1.5
251.17915	2.3
253.19507	4.2
255.08655	3.2
255.21149	1.2
257.18951	0.6
259.20544	3.0
261.18610	0.6
263.17847	0.6
263.20331	0.6
265.19617	2.1
267.21088	7.2
269.22684	2.2
271.20569	0.6
273.09711	5.6
277.21918	0.7
279.21170	1.3
281.22723	2.2
283.20694	0.8
285.22177	2.3
287.23840	0.7
289.09332	0.8
291.10709	2.9
291.21143	0.8
299.23581	0.7
302.20749	0.5
305.22546	0.6
309.11789	4.8
319.24197	0.7
325.11325	3.4
349.29156	0.8
361.28729	2.2
379.29758	1.1
389.32269	1.0
391.33810	0.7
401.32101	3.5
407.33182	5.8
419.33102	17.8
425.34207	1.4
437.34161	100.0
438.34708	1.6
439.35782	1.4
455.35202	30.0
565.39117	0.7
583.40039	0.9
599.39612	0.6
601.41077	0.9
617.40350	2.1
763.46411	0.9
855.89996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01085	0.0
70.06590	4.6
70.70598	0.1
71.07343	0.1
76.52148	0.1
77.03909	0.1
78.04675	0.1
79.05489	0.2
85.37264	0.1
91.05469	1.4
91.06047	0.1
95.04964	0.1
97.07646	0.2
103.05465	0.3
104.06241	0.4
105.07029	3.1
107.04952	0.1
108.76870	0.1
115.05475	0.1
116.06250	0.1
117.06998	0.2
118.06544	0.4
125.07077	0.4
130.06512	0.2
130.25510	0.1
131.04916	0.1
131.07295	0.1
132.04453	0.1
132.08078	1.2
133.08865	10.7
134.05945	0.1
134.09200	0.1
136.07576	0.2
137.05960	0.1
137.07057	0.1
144.08086	0.2
146.06026	0.1
146.09634	0.4
147.04457	0.1
147.10474	0.1
148.11200	100.0
149.11563	0.6
155.08208	0.1
157.09683	0.2
162.05524	0.1
165.05423	0.1
177.05338	0.1
182.09299	0.1
183.07652	0.5
183.96582	0.1
185.09178	0.2
188.07001	0.1
193.06082	0.1
210.08746	0.1
211.07132	0.1
215.11742	0.1
231.11188	0.1
243.11298	0.1
248.10732	0.1
259.10733	0.1
261.12302	0.2
269.11264	0.2
271.10736	0.2
279.09845	0.1
321.16034	0.1
348.15817	0.1
366.16586	1.1
377.14401	0.1
392.14566	0.1
404.15652	0.1
406.17578	0.1
432.15521	0.2
455.39011	0.1
456.38797	0.0
470.18796	0.2
508.21896	0.1
534.20142	0.1
624.26752	0.1
643.24994	0.1
728.25208	0.1
742.47021	0.1
769.30530	0.1
797.31335	3.5
830.29816	0.1
899.35938	0.7
944.41937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.2
68.78960	0.1
69.75973	0.5
72.08149	1.5
76.46530	0.1
84.08139	100.0
85.08466	0.3
86.09705	0.5
96.68065	0.1
112.07603	11.1
113.16850	0.2
119.37325	0.1
126.09148	41.7
127.09510	0.1
129.06616	0.2
131.11812	0.3
140.06180	0.1
140.07053	5.6
154.08621	63.8
155.08961	0.3
167.15437	0.3
171.14905	0.3
180.10162	0.7
183.14920	7.3
185.12860	0.5
197.12866	0.5
210.16019	0.3
211.14409	7.3
214.11813	0.5
239.13895	8.9
240.13503	0.4
242.14983	0.6
268.20160	0.2
282.18149	0.2
296.19672	9.2
299.20715	0.6
308.19717	0.2
327.20294	0.9
339.20248	0.2
350.20721	49.6
351.21045	0.8
353.21686	0.2
381.24515	0.2
381.28922	0.2
409.27985	1.9
412.25647	1.1
449.27576	5.9
494.32919	0.2
497.30875	0.4
534.32874	16.7
535.32935	0.4
537.33887	1.8
601.95917	0.2
622.39258	2.6
647.41205	7.0
707.32690	0.3
707.44513	5.2
708.44543	0.2
718.44922	0.7
732.83807	0.2
775.47101	5.7
792.49939	1.1
860.52344	7.2
945.57465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	8.5
69.03431	12.3
69.07069	6.2
69.20354	2.7
71.04989	0.9
73.02924	2.3
73.89026	0.5
79.05497	4.7
81.03418	4.9
81.07061	19.6
83.08639	3.7
84.08172	0.9
85.02910	77.0
87.04465	1.3
91.03958	3.5
91.05441	2.8
93.07047	10.5
94.76508	0.5
95.04997	0.6
95.08611	46.2
97.02897	20.8
97.10186	2.4
98.22768	1.1
98.23422	1.1
99.04450	2.6
100.43365	0.5
103.03954	1.3
105.07027	9.1
107.08597	22.0
109.02883	7.7
109.10161	49.8
111.08144	0.9
111.11719	2.9
119.08588	13.4
121.10151	22.8
123.11720	13.4
125.09643	1.1
127.03922	18.8
127.11212	0.9
131.08589	1.1
133.10121	9.6
135.11711	13.2
137.13252	4.9
145.04968	28.0
145.10120	3.8
147.11690	12.6
149.13264	8.3
151.14816	1.2
154.08679	0.7
157.10106	0.6
159.11702	7.6
161.13266	14.0
163.06023	15.9
163.14813	12.4
165.12817	0.9
173.13318	2.5
175.14835	6.5
177.16406	6.3
179.14297	1.3
179.17957	0.6
187.14841	11.4
189.16403	11.4
191.17955	28.1
193.15891	1.0
201.16463	3.1
203.17966	9.3
205.19563	5.5
207.17444	12.8
215.18015	2.4
217.19522	41.0
219.17520	2.9
219.21120	1.0
221.19017	3.6
227.17915	1.0
229.19644	1.6
231.21112	1.0
233.18970	1.5
235.20573	25.3
241.19601	0.7
243.21054	0.8
245.22717	2.4
247.20686	1.1
257.22650	1.0
261.22238	1.4
271.24173	0.7
289.09174	2.5
297.25858	2.2
299.27655	0.9
311.27441	1.3
313.28986	1.9
315.26880	5.8
325.11301	16.2
329.28409	3.8
407.36734	25.5
414.55011	0.6
425.37796	100.0
426.38101	1.6
443.38873	24.5
491.33215	0.8
507.30005	0.6
587.43079	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.4
69.14716	1.6
97.02895	46.1
117.13350	0.3
117.81966	0.3
131.63191	0.3
140.27104	0.3
153.05466	1.7
175.06001	1.5
178.07816	0.4
180.77437	0.3
205.06664	0.5
206.07310	0.6
218.07300	0.3
233.06006	1.1
234.06779	1.9
235.07529	1.0
246.06827	0.4
247.07593	1.0
248.08325	0.7
249.09161	1.3
251.10693	0.8
261.05417	0.3
262.06241	1.8
263.07056	1.6
264.07822	0.8
265.08554	0.5
267.10074	0.5
274.06210	0.5
275.07053	0.5
276.07880	0.9
277.05447	0.5
277.08585	8.8
278.09390	0.8
279.07281	0.3
279.10120	1.7
280.07382	0.4
290.05688	0.6
291.06509	2.4
292.07202	0.8
293.08054	0.6
294.08990	0.7
295.09406	0.4
305.08054	10.6
306.08673	0.8
307.06326	0.6
307.09702	2.0
309.11249	2.0
319.05991	2.8
320.06723	0.6
321.07581	0.8
323.09225	1.9
325.10657	0.5
333.07565	10.7
335.09082	3.2
336.10107	0.4
337.10666	5.3
351.08624	7.3
363.08582	13.0
366.07507	0.4
381.09683	100.0
382.10028	2.5
458.46539	0.3
469.55243	0.3
537.13861	1.1
555.14990	13.2
556.14740	0.5
740.04327	0.3
982.17743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	50.5
69.03430	2.3
69.07068	9.4
69.11932	5.3
69.12338	9.3
71.05035	2.5
73.02923	2.8
74.91787	2.1
77.83536	2.0
79.05491	24.2
81.07047	50.7
83.08620	5.7
85.02905	11.6
90.36945	2.2
91.03961	10.1
91.05473	16.2
93.07036	39.0
95.04977	5.9
95.08595	38.0
97.02906	6.5
97.10178	3.9
98.23531	3.6
101.02329	1.9
102.48701	2.0
105.04498	2.1
105.07018	17.1
106.23238	2.2
107.08591	21.5
109.10154	21.2
117.07016	4.7
119.08560	11.4
121.10133	20.8
123.11744	7.5
127.03895	5.0
129.07001	2.1
131.08586	11.0
133.10129	13.4
135.11685	15.3
137.13293	3.9
145.04956	6.7
145.10149	10.1
147.11667	11.3
149.13268	8.6
150.84053	2.2
159.11694	8.1
161.13261	5.7
163.06053	8.7
163.14729	3.7
164.20483	2.1
171.11670	3.5
173.13310	4.9
175.14725	3.5
185.13223	3.3
187.14772	4.4
192.28732	2.0
225.40184	1.9
241.19606	3.8
243.21225	3.6
259.20621	7.6
261.22168	19.3
317.24771	3.6
333.24170	6.8
335.21689	4.7
335.25772	100.0
337.27448	14.6
396.47058	2.0
538.02747	2.4
562.67175	2.3
595.39606	2.1
595.47223	19.1
613.48077	25.5
636.31873	2.8
720.05450	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	9.1
70.53285	0.3
71.01344	0.4
73.02915	3.2
75.04450	0.3
81.03405	0.7
83.01339	0.2
83.04958	0.3
85.02899	6.4
87.04461	5.1
87.67599	0.1
93.07026	0.1
97.02886	10.4
99.04424	0.5
103.03898	0.2
109.02872	0.3
111.04441	0.7
113.02397	0.2
113.15649	0.1
115.03921	8.0
123.04398	0.4
125.02333	0.1
125.05962	0.2
127.03911	0.7
133.04953	4.5
135.04404	0.2
137.05998	0.2
139.03897	0.6
142.22697	0.1
145.04942	0.6
149.02322	0.2
151.03909	0.3
153.05389	0.2
157.04948	0.7
163.03909	0.2
165.05473	0.3
169.05006	0.1
175.05994	0.2
193.04889	0.3
199.05922	0.2
203.07002	0.2
205.06461	0.3
206.07257	0.4
211.05940	0.9
218.07275	0.2
219.08119	0.3
229.07043	1.1
232.05295	0.1
233.06007	0.6
234.06734	1.5
235.07568	0.4
236.08279	0.2
246.06755	0.2
247.07777	0.9
248.08282	0.8
249.05229	0.2
249.09143	0.8
251.06972	0.2
251.10645	0.5
259.07968	0.2
261.05405	0.3
262.06241	0.9
263.06952	1.1
264.07813	0.6
265.08994	1.3
266.09378	0.2
267.10205	0.2
274.06143	0.3
275.07022	0.2
276.07776	0.7
277.05487	0.2
277.08582	6.9
278.09335	0.6
279.06949	0.2
279.10092	1.5
290.05704	0.6
291.06497	1.9
291.09735	0.1
292.07178	0.5
293.08133	0.3
294.08908	0.5
295.09879	0.6
303.06332	0.2
304.07370	0.3
305.08047	8.3
306.08676	0.5
307.09689	1.9
309.07791	0.2
309.11102	1.3
312.79935	0.1
319.05963	2.7
319.09387	0.1
320.06818	0.5
321.07526	0.5
322.08255	0.1
323.09137	1.4
325.10684	0.4
331.06082	0.2
332.06735	0.2
333.07559	10.6
335.09094	2.7
336.06262	0.2
337.10669	5.3
338.11075	0.2
349.07089	0.4
351.08597	7.3
353.10031	0.3
363.08597	12.5
364.08752	0.2
381.09641	100.0
382.09976	1.7
405.09906	0.2
495.12708	0.4
513.13892	7.4
645.08105	0.2
645.18066	2.9
675.19067	4.6
676.19543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.56
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.8
69.07085	0.9
69.12099	0.6
69.12520	1.2
71.01369	0.8
71.05009	0.5
73.02913	5.3
79.05489	3.4
81.03394	2.1
81.07058	4.0
81.74841	0.3
83.04994	0.6
83.08636	0.5
85.02899	6.2
85.03396	0.3
91.03953	3.7
91.05468	2.6
93.07037	3.3
95.04978	0.6
95.08617	2.8
97.02891	7.5
97.03465	0.5
97.06558	0.4
97.10226	0.3
98.22836	1.3
98.23525	0.7
99.04478	1.2
101.02387	1.8
103.03946	0.4
105.07021	1.9
107.08620	1.7
109.02926	0.8
109.10204	0.9
115.03963	0.6
117.07054	0.8
119.08634	1.0
121.10194	1.2
127.03879	1.7
129.07048	0.3
131.08589	0.4
133.10188	0.5
135.11728	0.8
145.05003	0.6
145.10153	0.5
147.11722	0.3
149.13339	0.4
157.35924	0.3
173.13362	0.4
185.04166	1.4
201.03722	0.4
203.05252	0.7
231.92323	0.3
243.08376	2.5
333.20297	2.7
335.26050	1.0
347.09503	2.9
351.32571	0.3
363.09192	0.7
365.10721	1.2
389.23135	0.6
405.13638	8.8
413.18036	0.4
453.21127	0.6
493.23996	0.4
519.29254	8.0
551.28137	4.5
652.47522	0.3
681.34534	9.1
713.33417	3.7
829.49664	1.4
991.55963	100.0
992.56494	2.4
999.91492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68287	0.9
71.01379	20.0
72.99316	0.5
73.02945	3.7
81.03439	0.8
83.01385	2.8
83.05002	0.5
85.02949	10.2
87.00864	0.9
89.02444	10.2
95.01383	1.4
97.02940	1.2
98.22602	0.5
99.00884	0.7
99.04505	2.0
101.02441	14.3
103.04017	0.4
109.02955	5.3
113.02460	6.9
114.68040	0.4
119.03504	4.4
125.02418	0.4
127.04040	2.7
127.24362	0.4
131.03467	0.5
145.05083	4.1
159.02946	0.6
161.04549	2.2
179.05591	0.9
206.83086	0.4
289.09317	0.5
439.32190	1.1
471.34747	0.6
581.38586	0.6
610.37427	0.4
617.40533	7.2
779.31500	0.8
779.45789	15.8
941.51129	100.0
942.51324	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	12.0
76.12534	1.3
83.01404	1.5
83.78678	1.1
85.02957	6.9
89.02441	4.3
90.36264	1.1
98.22680	4.0
101.02440	11.4
113.02441	3.8
119.03515	1.7
145.05058	2.3
172.10991	1.2
223.13318	1.8
617.40704	6.0
779.45935	100.0
780.45868	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29994	0.3
71.01381	26.4
71.01761	0.9
71.62300	0.3
72.01724	3.0
72.99268	0.9
73.01754	1.0
73.02943	5.2
74.03249	0.6
75.03329	0.4
81.03447	1.7
81.88873	0.3
83.01389	3.6
83.05006	0.4
84.01692	0.3
84.02154	0.3
85.02948	12.5
86.03271	2.8
87.00858	1.8
87.03337	0.6
89.02443	13.0
90.02779	1.6
91.02846	0.8
95.01385	2.2
96.01696	0.5
97.02894	1.3
99.00880	1.9
99.04504	2.9
100.04816	0.6
101.02445	18.7
102.02769	3.2
103.02864	1.5
109.02966	5.8
110.03293	1.5
113.02451	9.3
114.02776	2.1
119.03501	3.9
120.03823	0.6
121.03869	0.4
125.02406	0.4
127.04029	3.7
128.04286	0.9
131.03435	0.7
143.03448	0.8
144.03775	0.4
145.05055	4.0
146.05330	1.1
147.05490	0.6
159.02888	0.8
161.04553	3.1
162.04834	0.8
163.04932	0.3
174.58797	0.3
179.05525	0.6
214.21616	0.3
242.68568	0.3
281.81000	0.4
292.64490	0.3
439.32230	0.6
440.32391	0.9
441.32651	1.0
472.34970	0.5
597.20703	0.3
617.31653	0.3
617.39941	1.6
618.41040	3.8
619.41064	4.1
620.41357	2.5
739.63086	0.3
779.46344	2.2
780.46143	5.8
781.46429	13.2
782.46637	10.1
920.87146	0.3
941.50940	3.1
942.51538	8.2
943.51764	48.2
944.51984	100.0
966.59882	0.3
1004.50714	48.5
1005.50000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
52.40938	2.5
55.01876	69.6
57.03448	43.8
58.00595	4.6
59.01383	52.0
63.35557	2.9
64.58793	2.9
68.45164	2.7
69.45726	10.0
70.20825	2.2
70.83440	2.4
71.01386	12.5
73.02946	100.0
77.02487	2.9
78.03263	2.8
83.01411	17.0
83.72068	2.6
84.04539	6.1
97.13320	2.9
100.93373	8.2
100.94614	41.9
101.02444	75.9
102.02814	3.8
102.05608	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.5
73.02946	0.5
75.00898	0.5
79.95739	20.9
80.96515	1.5
83.01374	0.3
85.02953	0.9
87.00882	0.4
94.98083	0.4
95.95242	12.3
96.96014	100.0
101.02435	1.1
110.97591	0.6
122.97588	1.2
129.01956	0.3
138.97081	0.9
150.97055	2.2
152.98642	6.9
180.98125	2.1
196.98383	0.3
213.00832	0.4
225.00713	3.4
241.00240	20.4
242.91530	0.3
243.01732	0.5
256.99744	0.8
259.82504	0.3
271.01254	1.5
273.05484	0.3
280.46472	0.3
289.04996	0.6
290.05853	0.6
291.06555	0.3
299.00888	1.6
304.04169	0.4
319.06146	1.8
322.89899	0.3
364.05911	0.5
366.07733	0.3
379.08185	2.0
637.13019	2.4
1017.21918	48.4
1018.22546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.0
72.99297	0.6
73.02941	3.2
75.00841	0.2
81.03448	0.7
83.01385	2.2
83.05053	0.3
85.02945	9.3
87.00883	1.0
89.02443	9.3
92.18581	0.1
95.01385	1.7
96.95982	0.2
97.02937	0.8
98.22523	0.2
99.00864	1.3
99.04516	2.2
101.02440	12.4
103.03992	0.3
105.31225	0.2
109.02943	4.4
113.02445	6.3
115.04021	0.2
115.24294	0.2
117.00697	0.2
119.03492	2.8
125.02410	0.5
127.04008	3.1
131.03503	0.3
131.67470	0.2
143.03482	0.6
145.05077	2.2
156.68903	0.2
159.02991	0.5
161.04556	2.2
179.05588	0.4
221.06711	0.2
289.09186	0.3
290.87119	0.2
344.86951	0.2
407.29474	0.3
422.38931	0.2
437.30322	0.3
438.43091	0.2
439.32162	2.0
451.32181	0.4
453.33716	0.4
457.33127	0.6
469.33023	0.3
471.35120	1.4
487.34064	0.3
489.35916	0.2
599.39417	0.6
617.41473	0.3
635.41547	5.8
651.41376	0.2
797.34955	0.3
797.46906	17.1
959.52179	100.0
960.51837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74905	0.5
71.01379	5.7
73.02946	3.1
73.80740	0.3
83.01372	1.7
85.02941	4.0
89.02428	0.9
94.02908	0.3
95.01364	0.6
99.00865	0.8
101.02435	6.7
113.02447	3.2
132.19452	0.3
142.41666	0.3
159.03008	0.6
161.04591	1.6
181.32411	0.3
225.81285	0.3
233.05945	0.6
234.06902	0.5
245.06189	0.4
247.03943	1.8
247.07745	0.4
248.08435	1.6
248.89548	0.4
249.05440	0.5
249.09273	1.5
258.03244	1.0
260.04776	1.5
261.05591	1.9
262.06290	1.3
263.07144	0.5
273.05493	2.4
274.06284	1.0
275.03528	4.4
275.07013	0.9
276.04254	2.3
276.07721	0.8
277.05051	1.8
277.08643	1.0
288.04138	0.6
289.01874	0.6
289.05048	9.2
290.05841	9.5
290.09052	0.5
291.06674	4.0
291.18124	11.0
292.07346	1.5
293.08151	0.5
304.03751	10.0
304.07376	4.7
305.04535	4.0
305.08188	2.9
306.08856	0.5
306.34177	0.3
308.06754	0.6
319.06107	21.7
320.06863	2.9
321.03751	0.3
326.14743	0.4
333.19150	4.8
334.08435	3.1
335.08978	0.6
336.06400	0.7
338.07935	0.6
364.01230	0.3
364.05829	6.2
366.07382	4.2
379.08200	100.0
380.08652	1.3
409.04706	0.3
643.16626	1.0
717.64954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	4.8
73.02944	3.0
83.01397	1.5
85.02947	3.6
87.00864	0.4
89.02426	0.6
89.97424	0.3
93.94313	0.3
95.01386	0.5
99.00875	1.0
101.02449	6.7
112.25799	0.3
113.02432	2.9
127.05254	0.4
151.22046	0.3
159.02992	0.8
161.04568	1.8
161.88133	0.3
169.10103	0.4
219.04398	0.4
245.06096	0.6
247.03952	1.6
248.08388	1.8
249.09254	1.1
258.03134	0.4
260.04800	1.8
261.05475	2.0
262.06311	1.3
263.07040	0.6
273.05624	2.3
274.06360	0.8
275.03488	3.8
275.06717	0.5
276.04260	2.1
276.07953	0.9
277.05084	1.7
277.08517	0.8
288.04346	0.5
289.05063	9.2
290.05859	9.5
291.06668	3.5
291.18152	10.4
292.07401	1.2
302.05865	0.6
304.03757	9.4
304.07397	4.9
305.04517	4.1
305.08176	3.1
308.06845	0.8
319.06091	18.8
320.06860	2.2
333.19205	4.7
334.08420	3.0
335.89362	0.4
336.06360	0.6
338.07864	0.6
364.05920	5.0
366.07419	4.3
379.08206	100.0
380.08633	1.0
466.92670	0.4
643.16754	1.2
678.55475	0.4
784.62183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.8
96.96005	1.2
98.22598	2.1
150.06895	2.1
161.13354	19.1
162.60956	0.9
170.62558	0.9
173.04602	0.9
175.07619	0.9
199.52943	0.8
205.12337	95.6
223.13414	7.1
248.08405	1.8
249.09207	1.2
249.11375	9.9
260.04669	1.9
261.05490	1.9
262.06268	1.3
265.14374	4.0
267.12378	4.9
273.05664	1.9
275.03558	4.9
275.06741	0.9
276.04367	2.2
276.07660	1.1
277.04953	1.4
289.04999	8.5
290.05927	8.9
291.06656	3.0
304.03732	7.8
304.07468	5.2
305.04465	3.8
305.08157	2.2
308.06870	1.6
309.13477	23.4
319.06119	20.3
320.06921	3.1
326.23862	0.9
329.13885	1.4
334.08530	3.6
334.75858	0.9
364.05856	5.5
366.07312	6.8
370.00174	0.9
379.08246	100.0
380.08340	1.9
673.17755	13.0
1006.10272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	32.6
72.99304	1.8
73.02943	10.0
81.03465	2.6
83.01379	7.6
85.02945	19.5
87.00872	4.8
89.02446	21.7
95.01409	3.3
97.02943	2.5
99.00878	2.5
99.04520	7.1
101.02439	28.0
109.02962	8.6
111.00871	1.2
111.09215	0.9
113.02452	15.7
119.03497	7.2
120.13860	0.9
125.02439	2.1
127.04031	6.9
131.03461	1.0
133.07007	1.0
143.03484	4.1
145.05025	4.6
159.03082	1.0
161.04565	5.1
179.05586	3.5
289.09283	6.4
353.00858	1.0
439.32254	3.4
581.38312	1.9
617.40588	12.7
743.43701	1.5
761.44873	4.6
779.45886	22.4
821.46869	13.6
893.79785	1.0
923.50116	41.5
941.51172	50.8
983.52234	100.0
984.52380	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.534
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00866	0.9
76.06553	0.3
85.02954	0.3
88.75311	0.3
89.02451	0.4
101.02419	0.6
103.00372	3.1
103.01498	100.0
113.02433	0.4
144.19984	0.3
195.41953	0.3
259.68219	0.3
260.08582	0.3
307.84604	0.3
617.94995	0.3
655.87396	0.3
779.45966	1.1
941.51215	7.3
1045.53174	1.2
1052.16748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01076	1.3
59.01380	24.7
60.15678	0.8
60.28961	0.9
60.44882	0.9
60.73154	0.8
68.08099	1.1
69.91010	1.8
72.99310	38.4
73.75385	0.8
75.00874	45.6
77.90870	0.9
99.28975	0.9
105.01939	100.0
106.02275	2.2
120.55785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
75.94158	0.2
80.16334	0.2
83.80423	0.2
85.02943	2.4
89.02447	0.7
99.00867	0.3
99.04516	1.1
101.02456	1.2
103.94625	0.2
104.30175	0.2
113.02428	1.4
125.02437	0.4
131.03516	0.8
143.03438	0.2
161.04553	0.8
169.90038	0.2
206.79486	0.2
219.04636	0.4
232.05083	0.4
233.06143	0.7
234.06854	0.6
245.06177	0.6
246.06818	0.5
247.03972	3.0
247.07706	0.5
248.04839	0.3
248.05673	0.3
248.08391	3.4
249.05650	0.8
249.09175	2.4
253.05055	0.4
258.03241	1.5
260.04749	3.5
261.05551	4.6
262.06317	3.0
263.07291	0.9
264.07748	0.3
273.05533	5.3
273.08279	0.4
274.06332	1.4
275.03510	9.4
275.07028	1.5
276.04248	3.9
276.07867	1.6
277.05066	3.3
277.08646	2.0
287.00150	0.2
287.03537	0.3
288.04141	1.0
289.05054	19.0
290.05841	17.4
291.03296	0.5
291.06619	7.6
292.07376	2.2
293.04657	0.3
293.08218	0.4
302.05789	0.7
303.06461	0.2
303.52390	0.2
304.03748	17.6
304.07388	9.1
305.04517	8.8
305.08182	6.5
306.05185	0.6
306.08862	0.9
308.06839	1.1
319.06091	43.0
320.06860	6.2
321.04007	0.5
334.04434	0.3
334.08423	6.9
335.09247	1.8
336.06470	1.4
338.08002	1.3
364.05847	12.5
365.06555	0.6
366.07394	10.8
379.08200	100.0
380.08545	0.7
395.11765	0.8
527.16351	0.6
775.20630	2.0
889.24023	7.9
907.25122	45.8
908.25415	0.8
949.26196	7.6
989.29132	0.8
1051.29321	23.1
1052.30115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
85.74921	0.1
98.21792	0.2
98.64639	0.1
119.40808	0.1
122.88813	0.1
167.03726	0.1
191.05127	0.1
195.80836	0.1
219.04535	0.2
232.05258	0.1
233.06076	0.4
234.06859	0.4
245.05991	0.2
246.06706	0.2
247.03987	1.7
247.07663	0.4
248.04585	0.3
248.08389	1.6
249.05716	0.5
249.09180	1.2
253.04945	0.2
258.03244	0.8
260.04730	1.6
261.05551	2.3
262.06357	1.4
263.07080	0.5
264.07843	0.1
273.05551	2.4
274.06332	0.8
275.03513	4.4
275.07034	0.7
276.04230	2.5
276.07864	0.9
277.05026	1.8
277.08664	1.3
288.04205	0.8
289.05060	9.7
290.05829	9.6
291.03238	0.2
291.06607	3.5
292.07382	1.3
293.04559	0.2
293.07983	0.2
301.40634	0.1
302.05832	0.4
303.06586	0.3
304.03741	9.9
304.07379	5.4
305.04514	3.8
305.08157	3.4
305.10931	0.1
306.05359	0.2
306.08960	0.7
308.06857	0.8
319.06091	21.2
320.06863	3.0
321.03964	0.3
334.08420	3.7
335.09268	0.8
336.06329	0.7
338.07874	0.6
349.03427	0.2
352.05936	0.2
364.05869	6.5
365.06409	0.1
366.07416	5.3
379.08206	100.0
380.08542	0.6
455.27628	0.1
532.69019	0.1
547.10095	3.6
786.60748	0.1
799.66772	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.262
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	0.3
107.01400	0.7
135.00940	0.3
140.29971	0.3
145.02916	0.4
147.00836	0.3
151.00362	2.5
163.00403	0.3
164.01163	0.3
171.04538	0.3
178.99855	0.3
183.04506	0.7
187.03990	0.4
198.03374	0.2
199.03990	2.2
201.01973	0.3
211.03978	0.3
212.78723	0.2
215.03464	1.0
216.04309	0.3
226.02625	0.3
227.01204	0.4
227.03481	10.0
242.02202	1.4
243.02972	13.0
244.03709	0.4
254.02274	0.5
255.02969	16.2
256.03644	0.9
257.04568	2.1
270.01657	2.4
271.02475	20.1
272.03287	1.3
284.03253	10.1
285.04031	5.4
286.04736	1.3
287.05609	0.9
299.01959	27.5
300.02713	10.2
313.03354	0.5
314.04312	38.9
315.05106	23.3
357.06223	0.6
447.09274	13.2
623.16156	100.0
624.16498	1.6
678.46844	0.2
689.44421	0.2
953.17773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22611	28.8
98.64257	13.8
113.02464	12.3
121.21474	13.3
123.39867	13.8
289.05063	16.6
291.06104	19.8
304.03787	18.0
305.04248	19.7
319.06070	31.5
321.06705	17.1
379.08237	100.0
380.08484	76.4
381.08920	35.2
401.74115	13.7
427.60468	16.1
470.24475	16.1
574.12219	75.7
653.67633	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	0.7
83.01376	2.5
85.02951	6.9
87.00868	2.5
87.04469	0.4
89.02444	7.8
93.03449	0.3
95.01396	1.6
96.81168	0.3
97.02958	3.0
99.00871	1.8
99.04497	0.6
101.02440	17.4
103.41730	0.3
109.02946	1.0
111.00862	0.6
113.02448	8.2
119.03496	4.2
125.02435	3.6
127.04010	1.0
131.03497	1.5
137.02412	0.5
141.01964	0.5
143.03522	2.2
145.05086	1.7
149.04549	0.3
159.02946	0.6
161.04539	5.6
179.05629	1.7
201.07175	0.3
203.05511	0.7
221.06650	3.2
245.06662	1.9
263.07663	1.1
266.32947	0.3
283.15359	0.3
299.89301	0.3
301.23572	0.3
383.11938	0.9
485.15170	0.5
617.40576	1.7
631.20435	0.4
703.94623	0.3
779.46100	0.8
805.29797	0.3
885.86902	0.4
923.49622	1.7
941.50745	3.9
1023.42786	0.4
1099.07141	0.3
1103.56323	100.0
1104.55530	1.4
1132.63965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11538	0.1
79.95737	3.4
80.96527	1.1
92.94731	0.1
140.87335	0.1
154.55544	0.1
168.20778	0.1
193.06639	0.1
217.06477	0.1
221.06041	0.7
222.06880	1.1
229.88956	0.1
232.05344	0.1
233.06137	0.3
235.07635	0.1
236.08530	0.2
237.05428	0.1
245.06020	0.3
246.06885	0.5
248.04816	0.4
249.05545	8.2
251.03435	0.3
260.04773	0.1
261.05603	0.6
262.06467	0.5
263.07086	2.5
264.07910	0.4
265.05002	0.7
266.05908	0.2
267.06586	0.1
274.06381	0.6
275.03467	0.3
275.06982	0.5
276.04260	0.6
277.05042	11.2
278.05457	0.1
279.06714	0.1
281.04544	0.2
282.35541	0.1
289.05032	0.1
290.05771	0.3
291.06635	4.0
292.07309	1.1
293.04535	6.2
303.03030	1.3
304.03714	0.3
305.04602	0.2
306.05252	0.2
307.06073	0.7
308.06927	0.3
309.03995	1.2
317.04266	0.1
318.05307	0.3
319.06042	0.4
319.99384	0.2
320.03226	6.8
321.04013	11.6
332.10327	0.1
335.05591	23.7
336.06369	22.9
337.07047	0.2
339.53149	0.1
351.08713	87.4
352.08975	0.7
379.08179	0.5
416.02020	0.1
431.04373	100.0
432.04846	0.6
451.65103	0.1
473.64847	0.1
1043.36475	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
82.14520	0.1
91.16940	0.1
98.22585	0.3
103.94597	0.1
110.24346	0.1
113.37181	0.1
153.45370	0.1
164.15901	0.1
201.17259	0.1
204.05812	0.2
219.04401	0.8
219.07928	0.2
221.06058	0.2
232.05315	0.6
233.06081	0.8
234.06833	0.7
235.07611	0.1
237.05643	0.2
245.06015	0.5
246.06705	0.2
247.03973	2.6
247.07658	0.5
248.04680	0.7
248.08440	2.5
249.05536	1.0
249.09203	2.0
253.05002	0.4
258.03235	1.0
259.03925	0.2
260.04742	2.5
261.05563	3.5
262.06363	1.7
263.07147	1.0
264.07846	0.2
267.44666	0.1
273.05566	3.3
274.06339	0.8
275.03516	7.0
275.06982	0.7
276.04263	5.1
276.07867	1.2
277.05066	2.0
277.08664	1.4
287.03540	0.2
288.04327	0.8
289.05054	12.2
290.05829	12.4
291.03354	0.3
291.06616	5.4
292.07416	1.5
293.04535	0.3
293.08185	0.6
302.05597	0.6
303.06622	0.2
304.03760	16.2
304.07401	5.6
305.04538	5.6
305.08170	2.9
306.05392	0.1
306.08917	0.5
308.06873	0.9
319.06094	29.2
320.06863	3.1
321.04126	0.3
334.08453	3.6
335.09268	0.4
336.06305	0.9
338.07944	0.4
349.03778	0.1
352.05896	0.1
364.05878	6.5
366.07428	4.5
379.08197	100.0
380.08554	0.6
388.76382	0.1
512.16284	0.1
789.90820	0.1
875.72876	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.8
57.03445	18.6
58.03793	0.7
61.53019	0.6
66.03478	2.4
68.99564	9.4
69.03451	5.5
70.02975	1.3
70.66208	0.8
70.66553	0.7
71.01373	1.7
72.00888	0.8
83.01371	2.4
84.02165	8.7
85.02947	57.5
86.02480	0.7
86.03295	2.7
95.01343	1.5
96.00872	0.7
113.02443	8.1
113.03556	3.8
114.03042	2.0
114.05603	100.0
131.44595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0561
Annotation	L-Proline
Peak:m/z	Relative Intensity
59.01339	0.7
61.16734	0.5
66.03477	1.8
69.91587	1.1
70.02995	0.5
71.01379	7.8
72.00877	0.7
86.02480	0.9
86.03294	0.8
98.98025	0.5
114.05605	100.0
115.00381	1.1
115.05931	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.19899	2.7
54.67056	2.3
60.63654	2.3
71.01382	100.0
71.18189	2.8
73.63888	2.3
84.86170	2.4
86.32607	2.7
91.16057	2.5
95.47951	2.4
95.92666	2.7
114.75133	2.4
115.00375	13.8
115.05964	8.1
116.02528	6.2
134.87404	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
66.94809	0.7
71.01368	1.8
71.05024	0.8
71.32364	0.9
73.02946	100.0
94.97658	0.8
99.00878	8.6
99.92592	10.7
104.89616	0.8
115.92082	1.4
116.02567	1.5
116.07178	78.9
116.92859	32.9
116.93693	1.3
117.01937	16.1
117.07522	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94820	0.2
55.01875	0.6
57.19452	0.2
57.67203	0.2
59.01375	0.9
59.35394	0.2
61.65750	0.2
70.25947	0.4
71.01389	1.3
73.02947	100.0
74.61611	0.2
91.20493	0.2
99.00881	9.0
99.92587	0.3
101.00232	0.2
102.32500	0.2
115.92088	0.3
116.07181	34.6
116.92867	0.9
117.01944	16.0
117.07506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.5
83.01382	1.4
85.02953	5.0
87.00883	1.5
89.02447	7.2
93.77409	0.2
95.01383	1.0
97.02949	1.2
99.00886	0.9
99.04531	1.0
101.02444	12.2
109.02971	1.2
111.00869	0.4
113.02455	5.8
119.03506	3.8
125.02446	1.8
127.04015	1.2
129.02028	0.2
131.03499	1.3
137.02400	0.3
141.01961	0.4
143.03508	1.2
145.05072	2.1
149.04543	0.3
159.02991	0.5
161.04559	2.6
173.04552	0.2
179.05598	1.8
220.42252	0.2
221.06673	1.5
229.61191	0.2
245.06677	0.8
262.77814	0.2
263.07690	0.3
289.09198	0.3
323.09906	0.9
401.14297	0.2
439.32214	1.0
449.30276	0.2
617.40546	5.2
629.52155	0.2
732.29950	0.2
779.45850	6.0
779.59540	0.4
783.35217	0.2
941.51282	5.9
1049.58740	0.2
1103.56396	100.0
1104.55981	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.6676
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.7
83.01370	1.4
83.05020	0.3
85.02950	4.5
87.00886	0.5
89.02449	3.4
95.01390	0.9
97.02946	0.4
99.00862	0.7
99.04506	1.1
101.02443	7.3
109.02932	2.2
113.02457	3.2
116.18913	0.2
119.03506	1.8
125.02444	0.2
127.04005	1.6
143.03520	0.3
145.05067	2.3
159.02937	0.3
161.04498	1.2
174.54626	0.2
186.13197	0.2
225.14946	0.6
249.10135	0.3
285.56287	0.2
307.24323	0.2
439.32230	0.7
455.62363	0.2
471.34976	0.5
490.02603	0.2
581.38239	0.4
617.40533	6.4
779.31384	0.5
779.45862	12.2
941.51117	100.0
942.51123	1.9
1051.23389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01874	1.1
68.00345	0.4
69.23183	2.6
72.00919	0.8
73.02943	100.0
74.02458	1.3
74.03277	2.5
78.71136	0.4
88.48882	0.4
98.21933	0.8
99.00871	9.0
99.92580	0.7
116.92841	0.6
117.01937	15.2
117.07533	0.5
118.02286	1.0
118.05119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1170.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
245.13121	85.9
379.07990	93.2
570.43054	100.0
576.87280	82.3
1050.33423	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	1.4
83.04990	0.2
85.02950	5.1
87.00861	0.5
89.02448	4.1
95.01385	0.9
97.02924	0.7
98.22613	0.4
99.00910	0.8
99.04509	1.3
100.07117	0.2
101.02441	9.3
109.02953	3.0
113.02454	4.2
115.03999	0.3
119.03497	1.8
125.02440	0.2
127.04007	1.7
131.03545	0.2
143.03464	0.5
145.05072	2.9
147.76422	0.2
149.04526	0.3
159.03004	0.4
161.04568	1.8
179.05606	0.3
196.64238	0.2
203.98332	0.2
211.13403	0.4
350.57590	0.2
419.20276	0.2
439.32132	1.3
471.34677	0.7
541.35303	0.2
581.38367	0.3
617.40576	8.2
618.41357	0.2
779.45819	14.8
870.04395	0.2
941.51135	100.0
942.51251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03950	0.4
69.22180	0.2
69.33683	0.4
69.34108	0.7
74.73395	0.2
75.26586	0.2
91.01904	0.7
92.02678	1.8
93.03478	1.8
94.03001	0.8
108.02184	1.6
120.02174	1.7
121.02956	100.0
122.02465	0.5
122.03286	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0972
Annotation	1,5Z-Octadien-3S-ol
Peak:m/z	Relative Intensity
57.03443	29.4
69.03442	11.3
71.44340	5.2
73.23721	4.4
80.02666	5.8
81.03455	6.0
82.02997	7.4
91.33434	5.7
95.03321	5.7
95.05019	12.8
97.02945	8.9
97.06586	77.8
99.44459	5.5
100.13643	5.4
123.08150	61.2
125.02441	23.6
125.03574	5.5
125.09716	100.0
126.01967	6.8
126.10059	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23771	0.8
51.46693	1.0
55.01877	1.8
57.03452	7.4
58.02974	3.2
62.78959	1.0
67.01894	12.0
68.99822	1.2
71.01401	1.1
71.27280	1.3
80.37463	1.0
82.02977	2.8
83.01413	1.0
85.02960	9.3
101.02487	2.0
111.54984	0.9
115.66821	1.0
121.81240	1.1
128.03549	100.0
128.07210	9.6
129.01982	4.0
129.03873	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
50.82018	2.6
55.01869	6.9
56.43665	2.5
57.03447	27.8
59.01378	3.2
67.01891	40.7
68.99820	2.9
71.01363	3.8
73.02927	4.6
79.63840	2.8
83.01376	3.0
85.02950	54.0
86.06108	4.3
86.30305	2.7
88.04051	15.0
92.76960	2.5
97.78973	2.5
99.86655	2.2
101.02441	15.2
111.04463	2.5
112.04057	2.9
129.01964	19.1
129.03894	5.4
129.05583	3.1
129.07535	6.2
130.05110	5.8
130.08742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56556	0.1
55.01868	0.2
57.03446	1.2
58.02969	0.2
67.01888	1.6
68.99809	0.2
70.62697	0.1
71.01373	0.2
72.00911	0.1
72.99279	0.1
73.02930	0.2
80.05057	0.1
82.06618	0.1
83.01354	0.1
85.02942	0.8
87.00847	0.1
88.04028	0.6
101.02460	0.2
111.00841	0.1
112.04015	0.1
113.06102	0.1
128.90161	0.4
129.01936	0.6
129.03893	0.2
129.07533	0.4
130.08736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
52.03643	12.4
57.03442	100.0
65.98528	13.7
70.44845	30.7
77.17788	11.9
83.05032	53.5
85.06587	46.5
98.21922	16.3
111.04460	12.7
129.05597	65.6
130.08723	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
55.01860	8.9
57.03450	75.3
70.97012	15.4
83.05028	52.4
85.06606	46.1
95.33782	12.3
111.04501	21.5
113.56908	9.4
129.05609	100.0
130.08711	28.3
143.19606	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78699	0.9
57.03434	1.4
58.02975	5.2
62.56419	0.8
64.54280	0.8
70.02975	31.3
71.01367	1.8
71.02499	7.9
72.00906	11.3
73.02948	2.7
82.06596	1.3
84.08229	1.0
85.02947	4.7
85.99316	0.9
86.55167	0.9
87.04491	1.1
88.04035	8.8
95.02509	14.9
111.01991	2.6
113.02407	1.9
113.03575	33.8
114.01966	57.2
130.05064	1.8
130.08736	100.0
131.04622	10.0
131.08228	2.1
131.09064	3.3
131.57278	0.9
137.60013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37366	0.5
67.55013	0.6
75.03246	0.6
75.62018	0.5
98.08333	0.6
130.08734	100.0
131.09093	5.6
147.83942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
52.26204	0.8
57.03436	2.0
59.01379	100.0
60.01707	1.4
62.17002	0.8
68.67375	0.8
68.99814	2.9
70.02960	1.3
70.13876	1.9
71.01399	1.6
73.02947	9.0
76.25913	0.8
85.02954	5.4
85.06614	6.1
87.04018	1.5
87.04520	18.2
88.04028	2.1
97.20120	0.8
101.02472	0.8
113.02464	2.2
113.03608	1.4
113.96870	0.8
114.01978	1.5
124.97037	0.8
125.87783	0.8
131.03519	4.0
131.07147	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
56.87987	0.9
57.03447	1.4
59.01384	4.7
66.32280	0.9
68.45664	0.9
68.99831	5.1
69.03439	1.9
69.78731	3.0
69.79092	1.6
70.02963	1.6
71.01361	3.7
72.99286	1.4
73.02943	13.6
75.00863	1.3
85.02512	0.8
85.02939	5.7
85.06590	100.0
86.06936	4.0
87.04510	23.2
88.04056	1.0
101.02410	1.5
113.02476	2.4
113.06086	1.7
114.01959	2.3
129.05597	1.1
131.03534	5.7
131.07143	53.9
132.07449	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05061	0.7
59.01374	1.3
69.55539	0.8
71.01380	67.3
71.31293	0.9
72.01716	1.3
72.99306	15.5
75.76119	0.7
77.00249	0.7
87.00914	1.1
89.02437	7.5
101.54838	0.7
107.03635	2.9
110.28056	0.7
115.00371	100.0
116.00713	3.0
133.01430	24.9
134.04729	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01385	2.0
63.24820	0.7
63.98241	0.9
70.95496	0.9
71.01376	66.4
72.01726	1.3
72.99299	16.3
84.55190	0.9
86.65710	0.8
87.00862	1.1
89.02432	8.1
115.00367	100.0
116.00728	2.8
133.01430	22.8
134.01787	0.9
154.43716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
54.42891	1.4
62.71121	1.9
65.00322	2.8
69.29544	2.7
69.29890	8.0
71.01376	12.8
72.99297	2.9
77.03961	18.7
89.03970	7.3
92.02544	2.1
95.05023	25.9
96.05347	2.5
105.03458	69.2
106.03793	2.1
106.76581	1.6
107.02470	1.9
107.03645	7.4
115.00368	17.7
123.04525	4.6
132.02164	15.7
132.86807	5.4
132.89993	3.0
133.02954	100.0
134.03653	9.9
134.04733	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
52.28501	1.1
57.03433	1.3
59.01366	2.2
60.11740	1.0
69.82488	2.8
71.01380	100.0
72.01738	1.6
72.99310	15.1
73.71663	1.1
75.00868	2.1
78.67935	1.0
87.00873	18.4
87.04520	6.6
89.02438	18.0
92.02543	4.1
98.21848	2.2
107.03639	17.6
115.00372	78.2
116.00722	1.8
121.56193	0.9
133.01436	19.9
133.05074	42.5
134.04724	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27070	0.9
51.65770	0.6
53.71181	0.6
56.47657	0.6
59.01378	2.1
71.01385	100.0
72.01706	1.9
72.99312	14.0
85.11304	0.7
85.58764	0.7
87.00880	15.7
87.01388	1.4
87.04507	5.4
89.02447	18.8
92.02554	1.9
95.45296	0.8
106.86630	0.7
107.03642	8.8
115.00379	84.4
116.00721	1.6
133.01443	21.7
133.05080	38.5
134.01820	0.9
134.04729	35.5
152.73250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87909	0.3
65.01453	0.7
65.29982	0.3
68.02544	0.4
69.04964	0.3
69.53846	1.4
69.54221	0.6
71.84668	0.3
92.02544	6.5
107.03635	29.8
108.03330	0.4
108.03986	0.7
134.04729	100.0
134.89458	0.5
135.05220	2.6
151.62866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66104	0.1
65.01447	1.1
68.02528	0.5
70.77554	0.2
70.77895	0.2
80.02552	0.2
83.50487	0.2
89.90324	0.2
92.02541	6.7
99.80762	0.1
99.81613	0.2
107.03635	28.4
108.03360	0.2
108.03985	0.8
134.04733	100.0
135.03101	0.5
135.05206	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41335	3.8
69.41728	4.9
85.81851	2.0
92.02682	21.7
92.05066	42.1
93.03465	23.9
93.04638	2.1
93.05359	2.7
94.03812	2.9
95.01380	7.2
98.21784	2.2
99.92580	3.1
108.02177	82.2
109.02472	3.0
131.93951	2.1
135.89525	10.8
136.01668	100.0
136.04004	6.4
136.04929	4.5
136.86247	3.2
136.89178	28.8
137.02515	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69436	0.4
54.39813	0.3
65.03958	0.5
70.30004	0.4
71.26821	0.5
77.36613	0.4
81.03453	2.6
91.01897	0.7
93.03455	40.8
94.03793	2.1
99.92546	0.6
108.02177	4.9
109.02957	2.7
119.01334	0.6
136.01668	8.7
136.88353	0.3
136.89180	11.4
137.02448	100.0
137.89159	0.4
138.01933	0.8
138.02794	5.3
138.05577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13040	0.3
65.03955	0.6
69.56711	1.2
71.91229	0.4
73.61061	0.4
81.03459	2.7
91.01889	0.4
93.03455	14.0
94.03811	0.4
98.21880	0.3
108.02167	5.5
109.02975	2.8
109.38324	0.3
119.01369	1.1
119.33474	0.3
136.01657	10.0
136.89200	4.7
137.02441	100.0
138.01874	0.4
138.02779	4.5
138.05627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
50.34865	0.3
65.03964	0.5
65.37753	0.3
70.66679	0.4
79.66931	0.3
93.03458	100.0
94.03791	5.3
96.22096	0.3
99.48625	0.3
108.02189	1.0
113.72629	0.3
125.42227	0.3
129.15193	0.3
131.07942	0.3
136.89168	2.7
137.02444	21.4
138.01903	1.5
138.02759	0.7
147.43558	0.3
158.65108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0608
Annotation	1-(4'-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
50.15807	0.9
59.01381	8.8
64.01894	1.0
77.94807	0.9
81.03442	2.5
93.03450	45.7
93.04530	2.3
94.02938	1.8
94.03799	2.2
99.92566	5.9
106.04233	11.4
107.05010	3.9
108.02173	15.3
109.02934	3.7
119.05012	9.9
122.03730	1.9
133.97530	0.9
135.04575	1.0
136.01677	3.4
136.86292	22.7
136.89172	100.0
137.02446	45.0
137.03470	2.5
137.06070	37.3
137.89172	6.0
138.01958	22.8
138.02905	1.6
138.05482	1.6
138.06390	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.53477	0.4
53.39958	0.5
55.26741	0.4
57.50534	0.4
69.94173	1.0
82.90368	0.4
91.09135	0.5
92.02682	0.6
98.21790	0.5
108.02175	54.0
109.02520	1.9
138.01973	100.0
139.02335	4.0
147.59761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.035
Annotation	Triacetate
Peak:m/z	Relative Intensity
55.01875	10.2
57.03453	7.6
58.02954	17.2
59.01105	7.9
59.01376	80.9
60.01690	5.4
61.98827	38.1
63.25825	4.7
69.03437	22.6
69.99870	10.6
70.00204	7.4
71.01381	100.0
71.04994	8.9
72.99305	13.3
73.02940	16.6
78.35325	5.1
83.01376	18.2
85.02953	80.8
87.00872	54.9
97.02955	23.6
99.04511	28.4
100.04043	6.5
100.07687	16.6
101.02423	10.2
101.04358	5.2
102.05606	37.1
105.39499	5.4
111.00832	8.8
115.03078	5.0
115.04012	13.8
119.90499	5.3
124.98763	6.7
125.02435	13.8
142.99869	9.2
143.02502	10.5
143.03516	41.9
144.03009	8.1
144.04507	9.9
144.06638	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
56.57776	1.4
57.03431	3.6
59.01384	1.9
69.03458	4.3
69.25488	7.7
71.01391	9.2
71.05020	4.5
72.99307	50.3
75.04396	1.6
75.39848	1.4
80.75452	1.9
83.01373	3.3
85.02947	6.3
89.01459	5.4
97.02976	2.0
97.06593	45.7
97.07209	3.1
99.04518	18.2
99.08163	4.4
102.05593	1.8
115.03295	1.5
115.03998	9.2
116.02560	6.2
125.02462	2.0
125.06084	100.0
126.06413	5.4
143.02495	6.4
143.03583	18.2
143.07138	28.5
143.10797	5.2
144.04572	29.7
144.07506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
59.01397	0.5
61.98822	1.3
69.96267	1.3
71.01393	0.5
72.04530	0.3
73.02926	0.5
73.71141	0.4
74.71171	0.3
81.03465	0.5
83.01376	0.5
83.05003	1.9
98.22010	0.8
98.22551	0.5
99.92593	1.5
100.07671	0.7
101.06094	1.8
116.05034	1.7
117.04596	0.5
123.99095	0.3
126.03519	0.8
127.05157	0.5
142.03020	0.5
144.04553	100.0
144.11139	0.6
145.04955	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
58.87621	0.2
58.89353	0.2
70.06593	0.3
70.06908	0.3
70.88659	0.2
73.02956	0.2
83.05009	0.3
97.06581	0.2
99.08155	8.5
108.81745	0.2
116.05067	1.8
117.03432	0.2
126.03526	0.8
142.03021	0.2
143.03833	0.2
144.04549	100.0
145.04903	7.1
145.08701	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0619
Annotation	glutamide
Peak:m/z	Relative Intensity
51.40677	1.6
52.28972	1.3
57.03443	5.0
58.02972	5.7
62.36160	1.6
67.03020	1.6
68.63859	1.4
70.02975	2.0
71.01382	4.1
72.00901	2.8
73.02934	3.2
74.02475	16.7
82.02979	3.3
83.01385	2.2
84.04546	20.8
85.02976	1.8
86.02503	2.4
87.00857	2.0
88.04039	1.4
89.70820	1.6
98.02480	3.2
99.00880	6.4
99.05646	1.9
101.02435	22.4
101.07177	8.3
102.05608	100.0
109.04080	22.4
115.00300	2.6
125.03568	5.1
127.04210	3.1
127.05135	45.7
128.03537	59.0
128.49060	1.9
145.01440	2.0
145.06189	30.3
145.09845	3.0
146.04597	18.8
146.08136	2.2
149.29863	1.4
151.50221	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
60.13564	0.8
62.49292	0.8
69.13729	1.4
69.14130	2.9
71.01385	0.9
83.01424	0.8
83.05004	1.1
91.09794	1.0
92.19985	0.9
97.06574	1.9
99.08153	100.0
100.08450	3.9
101.06056	2.2
102.03455	1.5
118.02982	1.4
127.07650	2.0
137.99971	0.8
144.96451	1.2
145.03006	1.2
145.03952	1.0
145.04907	3.0
145.08699	44.6
146.02484	6.1
146.09044	2.8
164.08980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
67.69326	0.5
71.44493	0.6
84.52842	0.5
97.06599	1.9
99.08158	100.0
100.08481	4.4
118.02979	0.7
126.56081	0.6
127.07639	0.8
141.17055	0.6
143.07088	0.8
145.03113	0.9
145.04924	17.7
145.08707	47.9
146.02489	1.3
146.05240	0.7
146.09045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98819	1.8
70.51342	2.4
74.02463	3.6
83.32629	1.0
85.02957	1.7
88.17014	1.2
98.21972	1.5
102.05608	100.0
102.62103	1.1
103.05923	3.2
128.03532	40.8
129.03908	2.5
146.04601	19.4
163.41135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.046
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
52.13469	0.9
59.01373	1.4
67.77377	0.8
70.76442	1.0
71.01385	1.1
74.02483	1.3
76.74055	0.8
81.11276	0.9
82.02966	1.0
85.02962	2.0
101.02422	1.4
102.05613	100.0
103.05930	2.4
106.31203	1.0
106.36223	1.0
128.03545	42.2
129.03842	2.1
133.79996	1.1
134.26927	1.0
146.04604	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0661
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
56.36923	2.3
57.03445	27.3
59.01377	8.5
70.98428	4.4
70.98790	3.6
71.01363	7.4
73.02931	6.3
75.00860	3.5
85.02950	100.0
85.03467	5.3
86.03260	4.3
92.15952	3.0
99.00874	8.0
101.02431	30.7
101.06075	11.5
103.04018	46.6
106.77950	2.6
114.49141	2.8
118.50579	2.5
119.05019	3.9
147.01991	3.9
147.04495	9.2
147.06621	77.3
148.06940	4.2
163.85811	2.7
165.20763	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0665
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
50.50340	1.2
51.36623	1.1
54.50486	1.2
57.03452	24.6
70.50704	1.8
71.01404	1.4
71.04994	2.3
72.99343	1.1
73.02946	7.8
83.19575	1.1
85.02952	100.0
86.03291	2.3
101.02448	33.1
101.06085	13.3
103.04012	40.2
147.06638	77.3
148.06993	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-Xylose
Peak:m/z	Relative Intensity
53.14367	0.9
59.01376	23.3
69.03451	3.7
69.48418	3.9
71.01378	10.1
72.99306	12.1
73.02942	11.0
75.00869	100.0
76.01211	1.3
83.01439	1.1
85.02927	1.3
87.00875	4.1
89.02442	35.9
91.78754	1.0
98.22603	1.6
103.04018	3.9
118.09603	0.9
131.03493	10.3
149.04544	41.3
150.04866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0562
Annotation	O-Methyl anthranilate
Peak:m/z	Relative Intensity
50.01098	1.1
50.60078	1.3
51.33667	1.1
63.67736	1.1
66.03495	1.1
69.85687	1.1
71.01377	2.1
89.02391	1.3
90.03498	10.6
91.04283	52.3
92.02711	2.0
92.05063	100.0
93.05380	3.1
94.03020	1.6
94.99301	1.8
95.01341	1.3
107.05027	2.4
108.02157	5.6
108.04582	1.9
118.03004	14.4
120.04560	43.9
122.06113	2.7
123.04512	2.6
132.03693	1.6
132.04544	9.3
135.03276	61.1
136.01668	81.0
150.00192	2.5
150.05615	55.4
151.02760	2.1
151.04016	11.5
151.06056	1.9
151.13942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	2-METHYL-3-HYDROXYETHYLENEPYRAN-4-ONE
Peak:m/z	Relative Intensity
59.88653	0.4
65.69312	0.4
69.03456	0.5
69.17747	2.2
70.00607	0.4
71.01379	1.0
72.67878	0.4
74.18818	0.4
82.00607	1.8
89.02462	0.5
91.01906	0.9
92.02676	41.2
93.03008	1.4
95.01389	9.4
96.22798	0.4
101.02413	0.4
107.05016	1.0
108.02171	10.6
119.01396	1.1
121.02944	0.8
123.00887	1.7
132.14903	0.4
136.01665	91.6
137.02019	2.8
151.04010	100.0
152.04402	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.09008	0.2
52.24493	0.2
55.54480	0.3
69.21730	1.4
90.45043	0.3
92.02673	2.3
93.68694	0.3
95.01405	0.4
95.23056	0.3
98.21790	0.6
108.02177	4.0
136.01666	100.0
137.02022	3.8
151.04015	10.3
152.04326	0.5
156.32928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0613
Annotation	L-Arabitol
Peak:m/z	Relative Intensity
51.05870	0.7
55.01883	6.7
57.03437	2.1
58.00582	0.9
58.52413	0.8
58.91778	0.7
59.01382	72.0
66.41731	0.8
69.03436	0.9
70.76423	1.0
71.01386	100.0
71.21449	0.8
72.01694	2.1
72.68441	0.9
72.99297	1.6
73.02950	43.5
75.00868	1.5
76.82867	0.7
77.01300	0.9
78.13490	0.7
83.01398	4.6
85.02962	9.9
87.00857	1.2
89.02451	54.2
91.04017	2.5
95.01405	0.7
97.02944	1.3
98.14040	0.8
101.02451	68.8
102.02810	1.2
103.04005	1.0
107.05020	1.9
108.02132	4.5
108.04584	1.2
113.02443	2.1
115.03998	1.5
117.01937	6.8
119.03510	10.2
123.04507	0.9
131.03502	3.6
133.05046	6.7
136.01669	33.5
149.04567	1.5
151.02658	2.8
151.04019	6.1
151.05174	1.9
151.06126	46.3
152.03456	1.0
152.06467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
53.85285	0.2
54.15621	0.2
69.46184	0.9
70.14473	0.2
71.41975	0.2
77.62206	0.2
105.03455	0.2
105.30724	0.2
106.04266	0.5
109.02979	0.3
121.02939	0.8
122.03738	36.5
123.04066	1.3
137.02005	0.3
152.03529	100.0
153.03889	3.4
162.08749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48791	0.4
70.14005	0.6
78.03465	1.0
90.86105	0.3
106.02972	0.7
107.03767	4.5
108.01565	0.4
108.02239	0.5
109.02964	0.8
121.02966	0.4
122.02402	0.9
122.03735	26.8
123.04065	1.0
125.11706	0.3
135.03291	0.7
137.02002	1.4
152.03529	100.0
153.01958	0.5
153.03885	3.0
153.05028	0.4
153.05588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
50.40421	0.4
58.54876	0.4
65.03961	15.7
66.04269	0.5
66.83817	0.4
67.01886	7.3
69.36988	1.1
69.37382	1.3
86.98924	0.4
91.01884	5.6
91.20757	0.4
93.04583	1.1
109.02951	100.0
110.03288	2.8
135.00891	29.7
136.01195	1.1
145.90187	0.4
153.01941	80.1
154.02304	2.8
154.06241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
52.75183	2.6
53.37934	2.1
57.03444	4.4
58.00587	9.3
59.01374	85.7
60.51910	2.8
60.95802	2.2
68.99809	2.4
70.94689	3.4
71.01378	14.8
71.05019	2.8
72.02157	6.4
72.99314	5.4
73.02948	5.0
81.03481	2.7
81.07088	4.7
83.01406	6.0
83.05023	16.7
84.02154	12.1
84.04550	3.1
85.02956	3.3
85.06561	2.9
86.00088	17.7
93.03467	2.4
95.01357	3.4
95.05022	52.8
96.00929	4.2
96.05328	3.3
96.96017	16.7
97.06584	15.3
99.08149	48.4
101.57000	2.3
107.05028	100.0
108.02127	2.9
109.06586	8.0
110.00096	2.7
111.04494	10.1
111.08150	8.4
112.01672	5.3
113.03509	2.2
113.06081	21.4
114.05634	11.9
119.05043	3.1
125.06072	36.2
127.07636	34.0
127.68969	2.5
137.06026	6.9
142.76283	2.2
154.86859	7.3
154.90527	4.0
155.02623	4.7
155.04579	3.3
155.07161	22.8
155.86568	17.4
156.06693	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
59.01383	1.5
67.01871	1.3
69.37315	1.3
71.04979	1.0
71.41790	1.1
83.01371	5.5
83.05009	1.5
84.00922	1.2
85.02946	1.4
87.32192	1.1
96.00931	1.8
111.00896	5.0
111.04533	2.1
111.08130	2.9
113.02341	1.1
114.05641	2.6
114.42898	1.1
137.09682	1.5
154.99940	1.6
155.03456	1.1
155.10779	100.0
155.86632	1.6
156.11110	3.5
160.19786	1.1
161.02841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03291	0.3
58.02206	0.3
59.01377	100.0
60.01711	0.9
69.42544	0.3
69.76117	1.0
71.02505	0.9
72.78676	0.3
86.06125	0.4
95.39390	0.3
97.00428	6.3
114.03101	4.0
133.84331	0.3
157.03683	0.4
157.08659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.3
58.75702	1.0
59.01377	52.9
66.44792	1.1
66.55979	1.1
67.05519	2.5
69.03461	1.7
71.01382	14.0
71.04951	1.7
84.99303	6.4
87.00856	1.1
93.07094	1.3
97.93132	2.7
99.00902	1.1
109.06596	8.3
111.08160	5.0
112.95493	1.5
113.06065	1.8
113.09727	1.4
114.93423	6.8
115.00362	1.8
116.07169	1.4
121.06615	2.4
127.00388	3.0
127.07656	38.4
128.07993	1.3
136.04138	1.1
139.07648	27.6
140.08067	1.2
155.07199	1.3
156.89545	1.7
157.08705	100.0
157.12361	4.0
158.09032	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
57.03419	1.3
58.75702	1.0
59.01377	52.9
66.44792	1.1
66.55979	1.1
67.05519	2.5
69.03461	1.7
71.01382	14.0
71.04951	1.7
84.99303	6.4
87.00856	1.1
93.07094	1.3
97.93132	2.7
99.00902	1.1
109.06596	8.3
111.08160	5.0
112.95493	1.5
113.06065	1.8
113.09727	1.4
114.93423	6.8
115.00362	1.8
116.07169	1.4
121.06615	2.4
127.00388	3.0
127.07656	38.4
128.07993	1.3
136.04138	1.1
139.07648	27.6
140.08067	1.2
155.07199	1.3
156.89545	1.7
157.08705	100.0
157.12361	4.0
158.09032	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	CIS-3-HEXENYL METHYL CARBONATE
Peak:m/z	Relative Intensity
57.03436	0.6
59.01378	100.0
60.01711	0.7
60.31111	0.4
69.93964	0.4
71.01390	0.4
84.99316	3.6
87.00888	0.7
87.09154	0.4
97.06592	3.7
97.93170	0.6
99.00880	0.6
102.00978	0.5
111.08165	0.8
113.09737	0.8
114.92756	0.3
114.93397	2.2
115.00397	1.1
116.49254	0.3
127.00389	1.1
128.98315	0.6
140.46916	0.4
156.89417	0.7
157.08691	11.2
157.09912	0.8
157.12312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
54.48998	0.3
59.01353	0.8
68.21731	0.4
68.99794	0.3
69.31163	1.7
69.77060	0.4
71.01385	0.6
71.10890	0.3
73.02943	3.4
85.02944	0.5
87.00867	1.1
98.22705	0.7
99.92575	1.8
101.02419	1.0
111.00879	1.4
111.08173	0.8
113.02450	1.1
113.09728	20.5
114.10034	0.6
114.94933	1.6
116.92855	7.2
118.48287	0.5
123.08153	0.5
129.01917	1.3
141.09206	1.4
145.53256	0.4
157.08688	1.5
158.93925	0.8
159.02983	2.7
159.10263	100.0
160.10587	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
50.56009	0.1
51.74230	0.1
52.53111	0.1
52.84852	0.1
55.01877	0.2
55.32270	0.2
57.03436	0.6
57.82839	0.1
58.00610	0.1
59.01376	5.8
62.66292	0.1
65.00314	0.4
69.03439	0.2
69.65968	0.5
71.01376	3.1
71.05016	2.7
72.99298	0.5
73.02941	9.2
75.00867	0.4
77.03959	0.2
80.02313	0.1
81.03448	0.8
83.01375	1.1
85.02946	5.9
87.00875	0.6
87.04507	1.4
89.02450	1.1
89.03965	1.1
95.01370	0.2
95.05016	1.0
97.02950	0.4
99.04514	3.3
101.02430	0.8
101.92427	0.2
105.03439	0.4
113.02463	1.1
115.04005	1.6
115.07635	0.4
116.92843	1.0
116.95403	0.1
117.03471	2.6
117.05574	4.0
117.92899	0.2
118.92692	0.5
123.04518	3.6
124.04886	0.2
125.02442	0.2
131.03519	2.3
133.02954	16.3
134.03313	0.4
143.03543	0.4
160.84158	0.6
160.89297	0.3
161.02438	100.0
161.08183	6.6
162.02821	3.8
162.08540	0.3
176.88153	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01868	4.7
57.03449	23.1
57.06453	1.4
58.00585	1.4
58.02959	3.0
59.01377	72.7
61.98821	5.3
62.35905	1.2
69.03453	4.1
70.59853	2.7
71.01380	100.0
71.05024	9.8
72.99290	4.3
73.02943	78.0
74.02472	1.9
75.00859	3.6
81.03452	7.9
81.23352	1.5
83.01389	16.9
84.02193	2.6
85.02949	94.4
86.03282	2.0
87.00870	9.9
87.04528	3.7
88.04060	2.4
89.02437	12.8
89.04353	2.3
95.01376	20.5
97.02940	8.4
99.00890	10.3
99.04514	18.8
101.02428	16.8
113.01696	2.6
113.02451	34.8
115.03993	6.2
117.05569	12.9
125.02417	1.8
131.03516	25.5
131.04477	3.0
137.37100	1.6
143.03502	6.5
149.50638	1.7
161.03423	2.7
161.04579	24.8
161.08209	11.9
162.01984	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.03527	0.2
69.20193	0.7
91.05553	0.2
93.03452	1.0
100.45982	0.2
119.05026	100.0
120.04563	0.4
120.05350	3.5
134.67781	0.1
162.83929	0.2
163.00339	0.2
163.03998	8.9
164.04433	0.2
167.03465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01381	3.9
69.45714	1.7
71.01382	0.9
73.02943	2.7
85.02945	0.9
86.33132	0.5
91.01903	0.7
91.05516	0.5
92.05051	1.1
93.03466	2.3
101.02441	100.0
102.02764	2.2
107.05027	0.8
117.03502	0.8
118.99249	1.0
119.01329	0.5
119.03609	1.1
119.05030	25.5
120.04558	1.1
120.05376	0.8
121.02952	1.1
121.04181	0.6
135.04514	1.2
145.14772	0.5
147.04539	0.9
162.83913	10.9
162.89268	3.2
163.00336	1.8
163.01479	0.7
163.04117	7.3
163.06125	30.5
163.07504	1.9
164.03568	1.3
164.06425	0.7
170.93205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0607
Annotation	6-deoxy-alpha-L-mannofuranose
Peak:m/z	Relative Intensity
56.31385	0.4
57.03446	2.2
59.01382	2.1
65.69166	0.4
70.70359	0.6
71.01379	0.7
73.02940	1.9
85.02946	0.8
88.26485	0.4
91.01908	0.6
91.05517	0.8
92.05050	0.5
93.03461	2.1
99.31536	0.4
101.02441	100.0
102.02782	1.9
117.03481	0.5
119.03543	1.2
119.05025	25.3
120.04567	0.6
120.05357	1.0
121.02961	0.7
124.29836	0.4
145.01430	0.6
147.04510	1.1
162.83902	6.0
162.89285	2.7
163.00323	1.8
163.02576	0.7
163.04117	7.5
163.06128	28.5
163.07501	1.0
163.29160	0.4
164.06401	0.6
171.15385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0612
Annotation	6-deoxy-alpha-L-mannofuranose
Peak:m/z	Relative Intensity
57.03445	1.1
59.01375	4.4
61.98827	9.5
65.36987	0.5
70.25231	0.8
71.01365	2.0
72.99287	0.7
73.02943	10.1
75.00862	1.3
79.95734	0.7
83.01379	0.5
85.02947	1.0
87.00871	0.7
87.70940	0.5
89.02424	1.9
90.55112	0.4
91.05517	1.0
99.04514	1.3
101.02439	100.0
102.02773	2.0
103.00352	1.3
103.03991	0.5
117.05593	0.8
119.03492	1.7
119.05019	1.0
145.05038	2.3
163.06117	35.9
164.06461	1.0
178.58047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01443	5.8
90.74995	1.8
96.84623	1.6
106.22076	1.7
116.04321	1.7
118.99267	3.1
133.65358	1.7
162.83926	14.2
163.00348	2.0
163.11295	100.0
164.11632	4.3
169.24261	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1121
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
65.01434	6.1
96.36507	1.5
118.99273	6.0
119.05030	5.2
162.83942	18.1
163.11285	100.0
164.11601	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
62.31944	0.6
69.84265	2.1
72.00909	36.7
91.05539	4.0
96.51218	0.7
103.05527	5.5
113.36897	0.9
118.06683	0.7
133.00114	0.7
147.04520	100.0
148.04848	4.2
164.07161	51.0
164.09195	1.0
178.45129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalate
Peak:m/z	Relative Intensity
55.01876	0.6
57.03437	0.4
59.01376	3.0
61.98822	1.3
71.01378	1.8
72.99316	1.5
73.02956	0.4
75.00871	24.8
76.01189	0.3
77.03962	4.9
85.02966	0.8
87.00876	5.5
88.98798	0.3
89.02449	1.0
93.03459	0.4
98.22602	0.4
99.00878	2.0
101.02470	1.1
105.01939	3.2
111.00862	0.3
119.03509	0.3
119.04957	0.2
121.02956	100.0
122.02462	0.4
122.03268	2.5
123.05653	0.2
129.01050	0.3
129.01947	3.4
135.04543	0.2
135.24132	0.2
136.94006	0.3
136.96684	0.5
137.02443	0.3
147.02994	1.7
149.00940	0.3
150.03201	0.6
159.66714	0.2
164.83588	2.6
164.89548	4.9
165.01917	6.0
165.04039	15.4
165.07762	0.4
166.01501	0.8
166.04239	0.2
184.84160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
55.01868	3.5
57.03442	1.8
59.01376	10.9
71.01374	5.7
72.99303	4.1
73.02945	2.0
75.00871	100.0
76.01224	0.9
85.02946	1.6
87.00873	34.9
89.02445	3.2
99.00882	9.2
101.02433	1.9
105.01929	26.9
111.00885	0.9
114.42362	0.6
117.01936	1.8
129.01941	11.4
147.03000	7.3
154.06357	0.5
165.04041	62.1
166.04376	1.7
175.13324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09343	0.6
58.02973	0.8
59.01379	4.9
61.98841	1.2
69.98557	1.4
69.98895	0.7
71.01382	1.7
72.99279	0.7
75.00871	7.9
75.10563	0.7
77.03963	2.4
77.32890	0.7
77.50874	0.6
80.80203	0.8
87.00878	1.6
93.03455	8.4
96.95997	0.6
98.22495	1.0
101.02469	1.1
101.03908	0.7
105.01928	1.1
107.05039	1.1
108.02125	1.0
108.04553	3.7
109.02943	1.1
121.00957	3.7
121.02953	50.1
121.06583	2.7
122.03756	23.6
124.04099	0.6
129.01939	1.3
133.02975	0.9
135.04504	2.2
136.01657	2.8
136.93993	2.9
136.96794	2.5
137.02443	2.1
138.05634	4.0
147.04474	0.6
147.69220	0.7
148.04921	0.6
149.00958	2.4
149.02441	3.7
149.74016	0.8
150.03221	100.0
151.03568	2.7
164.83606	16.2
164.89546	4.0
164.99849	0.9
165.01918	3.2
165.04050	4.4
165.05568	10.9
165.06648	0.8
165.07776	0.9
165.09198	1.3
166.01477	3.2
166.05092	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62486	0.9
57.03447	5.1
59.01372	0.9
60.93634	1.0
61.98832	1.8
67.08086	0.9
68.61997	1.1
69.03440	1.0
71.05015	1.8
76.77821	1.0
77.03973	3.0
83.05032	1.3
85.55019	0.9
93.03451	2.6
100.50083	1.0
101.89094	1.0
107.90244	0.9
108.02159	2.1
109.02909	1.6
111.08186	4.7
121.02958	66.0
121.06574	3.1
122.21216	1.3
123.00904	1.2
124.58891	1.0
136.01645	2.9
137.02435	3.3
150.03207	2.6
153.81514	1.0
164.83611	100.0
164.89737	3.4
165.01929	8.9
165.04031	1.1
165.05536	2.6
165.06752	1.3
165.09215	1.4
165.11534	1.7
165.12843	22.7
165.83626	1.8
166.01433	8.2
166.02498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
56.67468	0.2
62.17501	0.2
87.56988	0.2
93.03453	0.5
93.99363	0.3
95.01377	0.3
96.33528	0.2
98.22774	0.4
108.02182	1.0
121.02957	10.0
122.02518	0.3
122.03313	0.7
122.06100	0.2
123.00880	0.3
123.04542	0.5
123.60181	0.2
124.05180	0.2
124.98421	0.6
136.01671	0.8
136.05295	9.7
145.12047	0.2
151.02748	26.8
152.01172	1.3
152.03058	0.8
166.01476	4.0
166.05092	100.0
167.03560	0.5
167.05417	3.1
183.01706	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44582	0.2
58.00233	0.2
59.47431	0.2
66.03460	0.4
69.95331	0.7
108.02175	0.7
122.02502	0.3
122.03292	0.5
124.98418	0.3
127.77840	0.2
129.23183	0.2
135.04509	0.8
136.01653	0.6
136.05301	25.4
137.05620	0.5
139.59917	0.2
151.00476	0.4
152.01167	0.7
166.01471	2.3
166.05098	100.0
166.83376	0.5
167.03575	0.4
167.05440	2.6
182.00047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
62.99783	0.2
65.99850	0.2
66.03485	0.3
67.01862	0.2
69.19724	0.2
69.56484	0.7
73.83131	0.2
77.78285	0.2
92.02660	0.2
92.05090	0.8
93.03455	0.7
95.01384	0.3
105.02186	0.3
106.04219	0.2
108.02177	1.2
109.02991	0.3
118.03001	0.3
120.04530	0.3
121.02938	0.4
121.05344	2.5
122.02454	0.4
122.03272	0.5
122.06113	0.2
123.00885	0.4
123.04557	0.5
124.04113	0.2
124.98421	0.7
133.01753	0.2
135.04532	1.0
136.01714	1.2
136.04170	0.8
136.05301	19.7
137.05641	0.5
140.02509	0.2
151.00398	0.6
152.01163	1.3
165.83594	0.2
166.01468	4.9
166.05098	100.0
166.83308	0.4
166.99522	0.3
167.03548	0.6
167.05486	2.6
167.06924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.74183	0.3
53.42618	0.3
59.62807	0.3
67.01882	1.2
69.61352	0.4
70.00601	0.4
71.26045	0.4
83.01389	1.7
91.01871	0.4
95.01380	3.2
96.04568	0.4
107.01405	1.1
108.02174	39.7
109.02494	0.8
111.00878	7.3
123.00897	4.8
123.04514	1.9
123.08115	0.4
124.01737	5.2
124.98454	1.1
135.00868	1.0
139.00360	1.6
144.80495	0.3
150.01926	0.3
152.01166	36.7
153.00526	2.4
153.01730	0.6
167.03496	100.0
168.02824	0.9
168.03836	3.0
168.10246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
56.60491	0.4
65.00332	1.0
68.37438	0.4
72.43868	0.4
79.07265	0.4
80.02689	1.5
83.01390	0.4
90.75897	0.3
91.01894	6.4
91.02428	0.6
92.70327	0.4
95.01383	0.9
98.22268	2.7
108.02174	47.4
109.02483	1.0
111.00875	0.5
115.24100	0.4
123.00917	0.8
123.04520	21.8
124.01717	1.0
124.98454	0.4
130.26610	0.4
152.01152	100.0
153.01535	3.0
167.03496	21.0
168.02914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	2,6-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
51.46942	0.9
57.62309	0.7
58.02957	3.0
59.01365	0.9
61.24859	0.9
61.98837	1.0
67.01868	1.5
68.99817	0.9
69.03424	1.0
69.52218	1.0
71.01373	1.0
72.56964	0.8
78.95899	3.7
81.03453	3.6
82.95418	0.9
91.01914	1.9
92.80083	0.8
93.03460	9.2
95.01388	29.7
95.05035	8.9
96.04566	1.4
96.95996	1.2
97.06574	1.0
101.67758	0.8
105.03493	1.0
108.02172	18.0
109.02944	8.7
109.06603	1.4
111.08150	2.8
112.01677	1.7
121.02974	8.2
121.06590	1.0
122.03758	5.6
123.00909	19.2
123.04527	100.0
123.08141	2.4
124.01658	3.8
124.04850	3.6
124.98446	2.9
126.02005	1.1
132.86797	6.3
136.01729	0.9
137.02420	3.4
139.04013	15.6
139.07620	6.5
140.02483	1.3
144.66452	0.9
149.02455	8.0
149.06085	3.5
150.01982	1.2
152.01164	29.0
153.00601	5.2
166.83327	4.9
166.93318	1.9
166.99788	3.6
167.03503	90.2
167.07150	5.6
168.02966	7.4
168.07808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0715
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
57.03427	2.8
64.58710	1.4
65.00315	2.0
67.01910	2.2
68.99832	2.3
69.03458	5.9
69.74986	4.4
71.01393	3.4
71.05019	1.5
72.00549	1.3
77.79030	1.5
78.95894	6.1
79.05543	2.0
80.02688	3.1
81.03461	3.6
82.03014	1.5
82.95383	1.8
83.05021	6.7
84.02163	5.6
85.02954	6.1
91.01908	2.4
93.03476	11.0
93.07077	2.9
95.01391	22.8
95.05039	14.9
96.04573	3.3
96.96016	3.4
97.02962	8.1
97.06583	10.2
98.03728	4.7
98.22598	1.6
104.97372	1.4
105.07095	5.3
106.04268	2.5
107.05060	2.0
107.24882	1.5
108.02183	31.7
109.02992	8.3
109.06590	13.7
110.02525	1.7
110.03744	9.0
111.00932	2.1
111.08165	48.5
112.01666	29.1
121.02970	8.1
121.06603	21.7
122.03752	4.5
123.00927	15.6
123.04532	100.0
123.08174	12.0
124.01673	27.4
124.05233	1.6
124.98458	4.8
125.03521	2.0
125.06104	1.6
131.04961	1.8
132.86801	10.7
134.03740	4.6
137.02454	5.9
137.06114	3.7
138.03194	3.3
139.04039	13.0
139.07660	80.6
140.02570	3.2
140.08022	2.1
141.09238	1.5
149.02444	8.2
149.06090	53.5
150.01942	2.2
152.01167	58.5
152.04729	1.9
153.00688	8.3
166.83305	13.3
166.93329	3.5
166.99673	3.4
167.03519	84.7
167.05772	3.2
167.07153	52.7
167.08557	2.9
168.02985	9.3
168.07658	2.4
168.10339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallic acid
Peak:m/z	Relative Intensity
54.81453	0.3
61.98827	1.5
65.99863	0.5
68.99811	2.4
69.03453	5.0
79.01892	1.7
81.03453	4.5
83.01395	0.8
85.00433	5.1
95.01389	0.4
96.96050	0.4
96.99325	0.7
97.02946	6.0
100.33392	0.3
107.01400	0.9
122.89368	0.3
122.92150	0.3
124.01656	1.2
125.02444	100.0
125.09701	0.5
126.00971	1.0
126.02788	2.3
126.03575	0.4
132.86790	8.4
134.86543	26.3
135.70905	0.3
146.34377	0.3
150.62094	0.3
151.00383	1.0
157.83006	0.3
168.98981	1.9
169.01419	33.7
169.83415	4.1
170.01770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.6
62.04814	1.8
65.00334	1.9
68.99821	1.9
69.03458	8.3
69.34664	1.3
71.05021	29.1
77.48153	1.4
78.46010	1.5
81.03468	2.6
83.01412	1.6
83.05020	5.3
96.25874	1.5
97.02952	4.2
97.06596	2.2
111.27546	1.5
117.18113	1.4
123.08165	8.5
125.02448	56.0
125.06083	1.8
125.09722	100.0
126.10057	3.9
126.98197	2.8
132.86819	1.6
134.86583	5.8
140.03540	1.6
151.00400	1.6
154.01042	3.2
168.83652	13.7
169.01407	20.5
169.06264	2.9
169.08725	13.0
169.83325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1233
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
59.27698	0.5
63.52630	0.4
70.51118	0.9
81.03455	0.5
92.04446	0.4
97.02969	0.5
97.06580	0.5
120.58205	0.4
125.02445	5.3
125.09708	1.7
133.37589	0.4
154.01013	0.9
168.83601	2.4
169.01450	2.9
169.12337	100.0
169.86812	0.5
170.12675	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0459
Annotation	Cetoniacytone B
Peak:m/z	Relative Intensity
59.01379	3.0
60.65254	0.5
62.47749	0.5
66.03463	0.7
69.03467	1.6
69.43028	2.2
71.01386	1.2
78.95910	1.7
79.70303	0.4
80.79786	0.5
81.03465	1.2
84.04539	2.9
85.70054	0.4
94.02994	5.7
96.00938	0.8
96.04562	1.1
97.01707	1.7
97.02965	1.9
99.98903	0.6
101.26369	0.5
107.03648	1.6
107.74860	0.5
109.02957	1.9
110.02483	10.6
111.71767	0.4
112.04042	7.5
117.00443	2.8
122.02484	5.9
124.04028	4.2
125.01186	29.3
127.11370	0.6
127.99007	1.1
128.07169	0.5
129.00433	0.6
134.04730	44.2
135.05106	0.8
135.19116	0.5
138.01970	16.2
139.02760	11.2
140.03540	100.0
141.03899	2.6
141.99965	18.3
143.00116	0.6
151.98936	0.9
152.03540	2.3
168.03033	1.6
169.99698	1.2
170.04590	73.7
170.83272	2.4
170.97855	1.2
171.02031	2.6
171.04939	1.6
171.10252	6.1
171.13879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01878	2.1
56.35836	0.8
57.03438	4.4
58.02955	2.8
59.01371	1.8
67.00788	1.1
69.03461	1.3
70.08694	1.4
71.01373	1.7
71.05021	22.2
73.45457	0.9
83.05023	3.8
97.06599	2.9
99.00886	3.2
99.08154	58.1
99.92582	2.4
100.08462	1.0
123.08115	1.0
125.09723	23.0
127.07646	10.7
127.11290	49.6
128.11626	2.3
153.09232	11.0
170.83342	11.1
171.01993	24.4
171.10268	100.0
171.13890	2.9
172.10530	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
54.99567	0.4
55.01868	1.2
58.02966	0.9
59.01358	1.8
65.00315	0.7
65.01443	0.5
83.05014	0.5
89.02449	2.1
96.95992	0.7
97.06583	0.5
99.00880	2.1
99.08140	1.0
99.92573	2.1
103.01476	0.7
109.06598	0.4
123.08159	0.5
123.95575	0.4
125.09704	3.0
127.07655	3.5
127.11288	6.4
129.03011	0.6
134.86563	3.5
136.86282	3.3
143.03671	0.4
152.98293	0.4
153.09204	1.6
155.69388	0.4
170.83299	3.9
171.01990	12.5
171.10262	100.0
171.83182	0.9
171.91071	0.4
172.10625	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
56.58820	0.4
63.71550	0.4
66.87745	0.4
69.06484	1.0
69.06889	2.1
76.36740	0.4
96.28959	0.4
125.09724	2.1
127.07638	0.6
127.11292	5.2
133.21974	0.4
138.22005	0.4
153.09186	1.4
170.83379	0.6
171.01973	1.1
171.10263	100.0
172.10614	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71330	0.3
58.02972	1.8
59.01399	0.6
67.01917	0.9
69.10326	0.9
69.10751	1.3
71.01410	0.5
83.01432	0.5
85.02989	1.2
85.06644	0.4
93.03457	3.8
93.03911	0.3
98.21826	0.4
99.92579	3.0
111.00878	7.4
111.04510	0.6
116.05114	0.4
128.08000	0.7
128.10817	4.8
130.08737	100.0
131.08244	0.4
131.09084	2.4
144.04532	3.8
145.02914	0.3
154.99821	1.1
169.92155	0.3
171.90930	0.4
172.02516	0.5
172.04005	2.9
172.09741	16.9
172.13362	1.5
172.82977	1.1
173.00850	0.5
173.02290	0.6
173.04555	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
51.71330	0.3
58.02972	1.8
59.01399	0.6
67.01917	0.9
69.10326	0.9
69.10751	1.3
71.01410	0.5
83.01432	0.5
85.02989	1.2
85.06644	0.4
93.03457	3.8
93.03911	0.3
98.21826	0.4
99.92579	3.0
111.00878	7.4
111.04510	0.6
116.05114	0.4
128.08000	0.7
128.10817	4.8
130.08737	100.0
131.08244	0.4
131.09084	2.4
144.04532	3.8
145.02914	0.3
154.99821	1.1
169.92155	0.3
171.90930	0.4
172.02516	0.5
172.04005	2.9
172.09741	16.9
172.13362	1.5
172.82977	1.1
173.00850	0.5
173.02290	0.6
173.04555	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
57.96102	0.5
59.01373	1.3
59.72050	0.6
67.01888	5.3
69.71545	2.0
72.99306	5.1
81.55165	0.5
83.01379	4.5
85.02954	16.8
93.03461	2.4
98.22627	0.7
99.00897	2.1
101.02435	2.5
108.90690	0.5
109.31545	0.5
111.00880	100.0
112.01228	2.6
120.62853	0.6
122.06454	0.5
129.01968	2.6
129.09229	1.7
131.07114	1.0
131.08197	0.6
141.37100	0.6
151.60034	0.5
154.99866	15.0
173.00906	7.1
173.02379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08555	0.6
59.01371	0.5
65.01737	0.6
67.01894	7.2
69.17780	2.9
71.01387	1.0
72.99313	5.3
73.02940	0.9
83.01381	3.9
83.05026	1.1
85.02951	18.6
93.03466	6.5
99.00870	2.0
100.92641	0.5
101.02452	1.8
103.17725	0.5
111.00883	100.0
111.04521	1.4
111.08162	6.8
112.01231	1.8
119.07935	0.5
129.01927	2.0
129.09230	0.8
131.08295	0.9
131.29250	0.5
135.05875	0.5
145.02966	1.3
145.04962	0.6
146.73241	0.5
154.99870	13.7
164.77147	0.5
172.83060	1.4
173.00906	6.9
173.02455	2.1
173.04480	2.0
173.08173	4.0
173.09416	0.7
173.11832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0244
Annotation	Juglone
Peak:m/z	Relative Intensity
59.01376	0.3
67.01892	0.7
69.03465	0.3
70.12463	0.2
71.01352	0.3
73.02949	0.4
73.95728	0.2
78.31204	0.2
85.02946	0.6
93.03449	2.0
97.14238	0.3
97.48075	0.2
101.03960	2.2
111.00864	1.5
111.04551	0.3
111.08175	0.5
129.09213	0.6
144.85655	0.2
145.02960	86.2
146.03317	2.6
172.83202	0.2
173.02446	100.0
173.11841	0.9
174.02812	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58430	0.5
57.03442	2.2
59.01380	6.4
59.16872	0.5
60.99302	2.0
67.01891	17.6
69.03471	2.6
71.01381	7.5
71.05039	0.5
72.99311	2.7
73.02937	1.3
75.00898	0.5
77.93916	0.6
81.03460	2.2
83.01389	2.3
83.05036	3.0
85.02953	10.1
87.00870	0.8
93.03458	74.7
93.60090	0.6
94.03785	1.2
99.00875	1.3
99.04569	0.6
101.02460	1.5
109.02965	1.9
111.00883	51.7
111.04514	10.7
111.08163	1.7
112.01212	0.8
113.02443	1.1
115.04044	0.6
127.03962	0.7
129.01947	2.0
129.05511	0.8
130.08762	1.1
130.99297	0.6
131.07158	1.5
131.08270	1.6
131.09079	2.2
135.05618	0.5
136.29004	0.5
137.02361	1.1
145.02943	1.2
154.98727	0.9
154.99869	7.4
155.03502	2.6
172.83084	1.6
173.00946	2.7
173.04547	100.0
173.11893	1.3
174.01855	0.8
174.04936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	FO 6903A
Peak:m/z	Relative Intensity
52.58430	0.5
57.03442	2.2
59.01380	6.4
59.16872	0.5
60.99302	2.0
67.01891	17.6
69.03471	2.6
71.01381	7.5
71.05039	0.5
72.99311	2.7
73.02937	1.3
75.00898	0.5
77.93916	0.6
81.03460	2.2
83.01389	2.3
83.05036	3.0
85.02953	10.1
87.00870	0.8
93.03458	74.7
93.60090	0.6
94.03785	1.2
99.00875	1.3
99.04569	0.6
101.02460	1.5
109.02965	1.9
111.00883	51.7
111.04514	10.7
111.08163	1.7
112.01212	0.8
113.02443	1.1
115.04044	0.6
127.03962	0.7
129.01947	2.0
129.05511	0.8
130.08762	1.1
130.99297	0.6
131.07158	1.5
131.08270	1.6
131.09079	2.2
135.05618	0.5
136.29004	0.5
137.02361	1.1
145.02943	1.2
154.98727	0.9
154.99869	7.4
155.03502	2.6
172.83084	1.6
173.00946	2.7
173.04547	100.0
173.11893	1.3
174.01855	0.8
174.04936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03445	5.0
58.02967	0.5
59.01387	1.7
67.01887	1.4
69.03490	0.3
71.01343	0.8
72.99333	0.7
73.02969	0.8
81.03463	0.9
83.01399	0.3
83.05023	12.6
84.97816	0.3
85.02948	1.6
93.03452	4.8
99.00816	0.4
99.04520	0.3
109.06592	3.3
111.00880	6.9
111.04532	1.0
111.08157	100.0
112.08515	2.6
129.01884	0.5
129.08220	0.3
129.09209	7.1
130.06619	0.4
131.07132	0.9
131.08263	2.1
145.02971	0.9
154.99838	1.1
155.07130	0.9
161.81940	0.3
167.89835	0.3
172.83092	1.0
173.00967	0.5
173.02451	1.2
173.04549	1.0
173.08173	41.9
174.05573	0.7
174.08510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.093
Annotation	N-alpha-Acetyl-L-ornithine
Peak:m/z	Relative Intensity
50.03638	0.5
58.02973	28.2
59.01362	0.8
61.59526	0.5
62.95403	0.5
67.01891	0.7
67.72864	0.6
69.64040	1.9
69.64413	1.0
71.01413	0.7
72.99310	1.1
73.02950	1.6
83.05020	0.9
83.06145	1.9
84.04539	2.6
84.60944	0.6
85.02960	1.8
86.06094	1.2
92.92902	0.6
93.03464	4.8
96.04562	1.2
100.07677	4.0
101.57540	0.5
111.00883	1.8
111.04531	1.4
112.07004	0.6
112.07674	3.1
113.07226	4.8
113.07941	0.8
114.05610	3.7
125.07226	3.6
127.08743	4.3
128.07166	7.1
129.10352	7.9
129.40112	0.6
131.08261	100.0
132.06648	1.0
132.08620	1.5
137.02507	1.0
139.56737	0.6
155.03471	0.8
155.08293	1.3
156.89406	0.7
173.04541	2.1
173.09305	85.0
174.07715	6.8
174.09653	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.39966	0.2
59.63420	0.2
69.29685	1.0
76.55280	0.2
93.03459	0.4
125.09690	0.5
127.11288	12.0
155.10776	1.6
171.10245	0.8
173.11818	100.0
174.12160	3.6
187.09778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
57.03436	1.3
59.01378	48.8
68.78705	0.6
69.03442	0.8
69.90631	2.0
71.01363	1.9
71.05016	2.3
72.99277	0.9
77.50157	0.6
85.02929	1.4
85.06586	26.2
87.00872	100.0
87.04509	7.4
88.01231	0.9
99.04500	0.8
101.02442	8.3
113.06084	19.8
115.00355	1.6
115.03995	2.8
129.05579	1.2
129.09224	1.2
130.99303	0.8
131.07133	2.3
132.98181	13.3
147.04448	0.7
157.05017	1.9
157.08673	1.3
171.42288	0.7
174.82840	20.3
174.88994	0.8
174.99312	5.0
175.06119	34.3
175.09761	8.7
176.03477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0976
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
57.03449	8.7
57.05814	0.9
59.01378	52.2
65.72720	0.9
65.91120	1.0
69.82032	1.1
69.82346	1.9
71.01375	4.5
71.04641	1.7
71.05019	22.7
73.02937	1.3
75.15881	1.1
78.42156	1.1
81.03452	2.7
85.02937	1.4
85.06576	2.6
87.00859	1.9
87.04503	2.9
99.08155	7.5
101.06102	2.1
105.32671	0.9
111.08157	1.9
113.06086	4.0
113.09650	1.1
115.00366	1.5
115.04025	4.9
116.92858	1.3
129.09218	10.9
131.07112	1.1
132.98193	12.0
135.04520	1.6
147.04492	1.2
157.05052	1.5
157.08699	13.5
173.08191	6.7
174.82826	36.1
174.86052	2.0
174.88945	1.8
174.99281	5.5
175.02568	1.1
175.03885	1.5
175.06177	3.2
175.09749	100.0
176.03528	1.6
176.10097	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
58.02987	0.8
59.01379	100.0
60.01714	0.7
61.98840	1.0
64.33916	0.5
64.69396	0.5
67.01914	0.6
70.59406	0.7
71.01382	9.9
72.99310	0.9
73.02952	1.5
74.02482	0.7
74.99117	0.5
75.00869	5.0
83.01386	1.4
85.02957	3.8
86.02483	0.7
87.00867	2.3
87.04531	0.8
88.04029	0.6
89.02465	2.2
99.00872	8.3
99.01447	0.7
101.02450	1.0
102.05627	0.8
105.01933	0.7
111.00869	1.3
113.02455	0.5
116.03557	2.5
117.01961	0.8
123.29748	0.5
128.07227	0.8
129.01947	7.2
133.05042	0.5
135.04523	0.7
147.02925	1.3
162.03226	0.9
176.06761	0.5
176.08232	1.3
177.01999	0.6
177.07764	0.8
179.03520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.15170	0.2
52.21732	0.2
55.16724	0.3
59.01366	1.2
60.21702	0.2
67.58049	0.2
69.61412	0.5
71.01379	0.3
77.03947	0.9
81.03454	2.2
89.03970	7.4
93.03471	1.1
95.05033	1.1
99.00855	0.4
105.03461	13.0
106.03748	0.4
107.01386	0.7
109.02950	0.5
114.66931	0.3
121.02938	0.8
133.02959	25.7
134.03328	0.5
134.23904	0.3
139.04051	0.4
139.75247	0.2
145.04979	0.2
149.02437	3.8
162.03215	2.1
177.01929	100.0
178.02266	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
51.02368	0.4
53.75287	0.4
59.01363	1.5
65.00311	0.7
69.41349	1.5
71.01363	0.8
72.86954	0.4
77.03966	7.6
81.03419	0.4
89.03968	3.3
93.03458	0.7
95.05032	14.0
99.00883	0.4
104.02695	0.5
105.03461	40.0
115.63304	0.4
118.92859	0.4
121.02959	1.1
123.04562	3.3
132.02187	2.3
133.02963	100.0
134.03825	5.6
134.45457	0.4
137.02472	1.6
139.04034	0.8
149.02364	0.7
162.03227	5.3
162.06818	0.5
177.01939	5.6
177.05528	4.2
178.02562	0.9
191.34187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Daphnetin
Peak:m/z	Relative Intensity
57.03429	0.3
59.01384	2.2
71.01374	1.0
75.00869	0.4
77.03975	0.7
81.03459	1.9
85.02940	0.4
87.00870	0.3
89.02454	0.4
89.03967	6.9
93.03454	1.2
95.05018	1.8
99.00879	0.7
105.03458	14.1
106.03794	0.5
107.01415	0.5
109.02954	0.4
121.02974	1.6
123.04514	0.6
129.01949	0.7
132.97183	0.3
133.02959	27.1
134.03377	0.4
139.03981	0.5
145.02969	0.3
147.02960	0.2
149.02452	3.6
162.03220	5.1
162.06844	0.4
169.59625	0.2
177.01923	100.0
177.09198	1.0
178.02278	3.3
178.05077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0557
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.58277	0.2
52.77795	0.2
56.12634	0.2
77.64941	0.2
80.20942	0.2
93.03465	0.2
105.03447	0.8
106.20947	0.2
117.03465	28.5
118.04256	25.2
118.05152	0.3
119.04565	0.8
121.02956	11.9
122.03268	0.2
123.04527	3.5
131.58598	0.2
133.02979	1.9
133.06613	0.3
133.79759	0.2
134.03737	1.4
135.52823	0.2
145.02951	50.1
146.03291	1.5
147.04532	0.4
151.75253	0.2
162.03223	8.2
163.03589	0.3
177.05563	100.0
178.05928	2.9
184.59332	0.2
189.70917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10008	0.2
59.01369	0.4
61.98823	0.2
70.88377	0.4
87.00865	0.3
95.95174	0.2
107.97605	0.2
119.89285	0.2
119.93723	4.3
123.73065	0.2
130.98645	0.2
132.92543	0.2
134.96086	41.6
135.96158	2.1
136.94005	100.0
137.94069	5.1
151.92714	8.9
152.92845	0.4
161.04556	0.3
178.95052	70.7
179.05663	0.3
179.95178	3.5
195.57207	0.2
196.96040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
55.01857	0.2
58.00592	0.3
59.01382	13.8
63.02385	0.7
65.00334	0.5
65.83598	0.2
69.03467	0.3
69.46914	0.9
71.01385	6.2
72.48121	0.2
73.02943	0.8
75.00856	0.5
77.03957	0.2
83.01382	0.8
85.02959	1.6
87.00883	5.1
89.02442	2.2
91.01884	0.4
91.91938	0.2
92.02682	0.2
93.03452	0.2
95.01405	0.7
96.96014	0.5
97.02927	0.4
98.21883	0.4
99.00884	1.2
101.02451	1.3
107.01382	1.1
107.05013	0.4
108.02183	0.3
113.02478	0.7
117.01961	1.2
118.99315	1.6
119.03471	0.2
120.02181	7.3
121.02963	100.0
122.03295	2.8
123.03455	0.3
125.02457	0.5
135.00861	0.3
135.04552	1.8
136.01672	0.5
141.01949	0.3
151.00388	1.3
151.04007	0.4
151.07672	0.4
159.02974	0.4
159.40651	0.2
161.04593	2.6
163.99753	0.2
164.01183	0.7
168.40295	0.2
169.01488	0.3
173.44939	0.2
177.03931	0.3
178.84402	0.5
178.99892	0.9
179.01497	0.7
179.03525	8.4
179.05629	4.3
179.07224	0.6
179.10783	0.5
186.42979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.01878	1.0
55.33027	0.6
56.36163	0.7
56.94214	0.7
58.00588	1.8
59.01375	55.3
60.45535	0.8
61.98830	1.7
64.26772	0.8
68.00663	0.8
69.46624	3.4
71.01376	30.6
71.05014	3.0
72.01711	0.8
72.99306	8.8
73.02943	7.8
73.16042	0.8
75.00868	100.0
76.01232	1.0
81.03449	4.7
85.02951	5.3
87.00881	8.3
89.02440	14.0
97.02916	0.9
99.00876	8.0
99.04510	1.8
101.02438	2.5
105.01917	1.0
111.79816	0.9
113.02428	2.6
117.01939	0.9
119.03491	0.9
123.77418	0.8
125.02433	3.4
143.03488	8.2
161.04538	13.7
179.05605	77.6
180.05922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1441
Annotation	5-(1-Methylethyl)-2-propyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.01848	0.8
57.03448	15.2
58.86852	0.8
59.01377	41.6
62.04604	0.7
63.02392	1.9
65.00300	1.0
69.03449	3.6
69.04253	0.8
69.54600	2.0
71.01380	19.1
71.05016	5.3
71.07545	0.8
72.99303	1.5
73.02937	2.2
77.73349	0.7
79.01868	0.8
83.01386	3.0
83.05006	1.5
85.02964	4.6
85.06594	1.7
87.00874	17.4
89.02444	9.8
91.24061	0.9
93.03468	1.5
94.02993	0.9
94.91344	0.8
95.01369	1.2
96.95992	3.8
97.02934	1.0
97.06602	1.6
99.00867	3.6
101.02453	3.3
107.01384	3.2
107.08698	1.4
108.02179	1.0
108.05840	1.5
111.08160	1.1
113.02464	1.9
117.01942	3.3
118.99279	1.3
121.02921	2.0
121.23396	0.8
123.08194	1.1
125.02447	2.1
125.09699	2.9
127.41877	0.7
129.02002	0.7
135.00871	1.0
135.04578	4.0
135.08217	0.8
135.11784	1.6
136.01736	0.9
136.93980	0.9
141.01987	2.0
141.86804	4.6
143.86497	7.5
151.00378	4.7
151.07677	2.5
159.02950	0.9
159.87930	0.9
161.04556	10.5
161.09752	0.9
161.13344	1.4
161.87546	2.2
164.01175	2.9
169.01465	1.2
178.81461	2.2
178.84377	1.4
178.85851	2.0
178.99855	7.6
179.03502	3.3
179.05595	13.4
179.07172	3.5
179.10896	2.9
179.14407	100.0
179.84229	3.8
179.85587	1.0
180.02925	1.1
180.06598	1.8
180.14769	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0668
Annotation	Lysichitalexin
Peak:m/z	Relative Intensity
52.22986	0.2
59.01378	1.6
60.01724	0.6
65.23980	0.3
66.03501	0.9
69.38352	1.3
71.01395	1.1
72.01738	0.5
78.58092	0.2
80.05062	1.6
87.00894	0.4
89.02492	0.4
93.03448	0.4
94.02998	1.5
94.06639	2.5
96.04568	0.4
96.96017	0.3
98.21895	0.4
101.02449	0.4
106.06649	0.9
107.03770	2.1
107.67364	0.2
108.04584	0.3
110.06969	0.3
111.37797	0.3
120.04546	0.7
121.02982	0.5
121.05326	4.4
122.02455	0.5
122.06135	7.7
123.03262	0.6
134.06128	2.9
135.03273	9.2
136.03984	0.4
136.04913	0.5
137.02469	1.5
137.04845	1.3
138.00285	0.4
149.04834	4.6
150.02011	2.8
150.05615	39.4
151.00400	1.5
151.05940	0.9
162.05621	14.5
162.10071	0.3
163.05957	0.6
164.03560	0.8
164.98926	0.6
165.01974	1.6
166.02692	2.4
167.02280	1.1
180.06668	100.0
181.01315	0.3
181.03755	0.8
181.05132	0.6
181.07022	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
53.89969	0.4
59.01376	1.5
67.01886	1.0
71.01353	0.6
85.94450	0.5
88.61208	0.4
95.01389	0.6
98.22720	0.8
108.49162	0.4
114.52760	0.5
123.00884	14.4
141.99127	0.5
151.00369	80.9
152.00711	2.0
161.84357	0.5
165.01935	1.9
166.02711	100.0
167.03027	3.5
173.57120	0.4
181.05064	18.1
181.06802	1.0
182.05391	0.8
187.71313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1233
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
57.03437	1.0
59.01376	17.6
63.42950	0.8
65.00322	5.3
67.08575	1.1
71.01379	8.3
73.02939	2.7
83.05006	1.5
85.02955	1.3
89.02433	5.3
93.03442	4.3
94.02975	1.1
101.02446	5.3
108.75253	0.9
109.02955	1.4
109.06594	1.0
110.02449	1.5
119.03513	1.3
123.00868	3.3
136.98795	1.9
137.02441	3.0
143.86426	1.5
151.00366	17.2
163.06296	1.2
163.11293	9.4
166.02721	25.3
167.03151	1.4
168.04837	1.1
180.81161	0.9
181.01341	2.2
181.05043	4.0
181.07237	7.4
181.12349	100.0
181.92915	2.0
182.12651	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
51.76448	0.5
55.01854	0.8
57.03442	1.9
59.01374	8.1
59.50240	0.6
61.98829	0.8
64.64382	0.6
65.00328	4.2
69.03445	2.6
69.08525	2.2
69.08945	2.4
71.01375	7.5
71.05020	2.4
73.02946	4.9
81.03445	1.3
83.01370	0.7
83.05032	1.8
84.02182	4.7
85.02940	2.0
89.02438	4.3
93.03464	3.5
96.08059	0.7
96.96017	1.6
97.02953	3.0
97.06583	2.2
98.03745	1.1
98.21858	1.4
101.02442	4.9
108.02137	0.8
109.02885	1.2
119.03512	0.7
123.00892	1.9
123.08177	1.0
125.09724	9.1
135.08145	1.3
136.98775	2.2
137.02414	1.7
137.09753	1.2
138.01974	0.7
143.86513	1.9
145.10245	2.2
145.86217	1.4
146.86746	0.6
151.00349	9.1
151.11273	6.6
153.12845	12.5
161.09731	3.2
161.87560	0.8
163.06165	1.1
163.11290	15.6
164.11589	0.7
166.02716	13.0
166.39163	0.6
179.10773	23.3
180.84312	0.7
180.85922	4.4
181.01289	1.7
181.05064	2.3
181.07196	5.9
181.12341	100.0
181.83821	2.5
181.92976	4.5
182.12631	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	25.7
59.01380	7.9
62.98177	0.9
65.00334	1.8
65.68565	0.7
67.69118	0.7
68.96495	0.8
69.03461	10.3
71.01388	4.9
71.05011	2.5
73.02932	1.6
80.02651	1.9
81.03465	15.2
84.02173	1.0
89.02455	2.9
91.05510	0.7
93.03491	2.6
95.01414	1.8
95.05025	28.2
96.02182	2.2
97.02950	100.0
98.03746	19.8
98.04343	1.6
99.04521	7.9
101.02443	3.3
107.01392	9.8
107.05031	1.2
109.02950	1.0
109.06598	1.3
111.04520	2.6
111.08166	2.1
112.05280	1.2
113.06092	17.4
120.98890	2.0
123.00880	4.2
123.08141	5.9
124.05314	1.1
125.02434	2.9
125.06120	1.4
135.08209	1.6
137.09712	6.9
151.00371	30.4
151.01550	1.7
152.00775	1.0
153.01921	1.0
159.41780	0.8
163.11279	15.4
166.02711	76.9
166.09996	1.7
167.03012	1.3
168.02855	0.9
180.84140	0.9
180.85838	1.0
181.01189	1.4
181.05086	13.7
181.07172	2.6
181.08688	1.6
181.12338	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
57.03437	1.3
63.91836	0.5
67.01899	0.8
68.99551	1.9
69.03452	3.4
71.44527	0.6
72.86232	0.5
75.53343	0.4
83.05019	3.7
85.06593	7.3
95.01384	0.8
95.05021	1.1
97.06592	8.4
111.00872	2.1
111.08155	1.6
112.98540	2.1
113.69827	0.6
123.00895	0.6
123.08178	4.1
137.09760	1.1
139.00395	0.6
139.11288	100.0
140.11620	2.8
154.02907	0.4
165.09236	0.7
167.99384	1.7
182.86163	0.8
182.99135	0.5
183.00500	1.2
183.03180	0.6
183.06654	0.5
183.10240	7.3
183.13872	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1025
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
55.50481	4.2
57.03442	28.9
59.01388	6.2
67.01898	10.1
68.99550	21.3
69.03450	71.7
71.05012	27.7
74.02518	4.8
83.05016	8.4
98.22633	7.7
107.05066	5.0
109.02927	4.6
111.00877	18.4
111.08151	33.4
112.98565	20.1
113.06064	11.2
123.04499	4.8
123.08132	8.6
137.09744	5.5
139.00363	10.2
139.07620	6.9
139.11285	61.3
140.37117	4.7
155.10776	7.3
164.98308	11.1
165.09215	7.5
167.99377	15.6
168.00664	6.5
183.00426	7.7
183.03003	7.0
183.10254	100.0
183.13866	7.3
184.01004	6.5
196.43855	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	trans-1,2,trans-1,5-2-(1-Formylethyl)-5-methyl-cyclopentanecarboxylic acidNepetalic acid
Peak:m/z	Relative Intensity
57.03444	33.1
62.36556	3.3
67.01856	4.6
68.99556	9.3
69.03455	100.0
69.39289	18.4
69.47909	3.5
71.05019	32.5
76.77721	4.3
83.05000	3.7
86.51283	4.0
89.40069	4.1
111.00863	5.6
111.08157	35.3
112.98563	14.3
113.06075	11.8
120.15893	4.0
123.08207	7.9
139.11276	48.1
142.14821	4.3
155.10776	3.6
164.98373	3.9
167.99388	7.2
183.00395	4.0
183.10258	85.6
183.13818	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
60.43128	0.1
61.97276	0.1
68.99542	0.1
69.78528	0.3
69.78843	0.1
70.44279	0.1
73.36391	0.1
88.84603	0.1
112.98557	0.2
118.98051	0.1
124.75819	0.1
177.32291	0.2
183.13885	100.0
184.14214	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.5
70.49279	10.4
87.97623	4.3
134.79472	4.6
140.02061	44.9
141.99898	6.4
156.10886	4.8
184.00996	100.0
185.01073	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.2
69.53077	6.0
69.53468	9.4
83.11854	3.8
140.01068	5.5
140.02051	37.8
175.70917	3.6
184.01030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.072
Annotation	Deoxyvasicinone
Peak:m/z	Relative Intensity
54.29586	0.3
54.84782	0.4
56.41763	0.3
59.01369	0.6
62.19143	0.3
66.03475	2.6
68.94020	0.4
69.03444	0.7
69.17341	0.9
69.17750	0.9
71.01405	0.4
76.81499	0.3
79.95734	4.2
81.95306	1.1
87.00880	2.2
95.06128	0.4
97.06604	0.8
100.59827	0.3
106.68650	0.3
111.08208	0.4
112.98814	0.3
114.09211	0.6
123.08167	0.9
123.42667	0.3
141.03792	0.3
141.09181	0.9
142.08736	0.5
144.04536	0.6
145.04063	0.6
159.05637	10.2
176.91031	0.3
182.04828	2.2
183.05629	45.4
184.05933	2.0
185.07187	100.0
186.07524	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
60.25160	0.4
69.03455	0.6
69.22968	1.7
69.23378	1.1
71.05550	0.4
72.68636	0.4
92.03606	0.4
107.25053	0.5
112.98795	0.9
122.84923	0.5
139.11269	1.3
141.09207	1.3
141.12856	0.9
149.09734	1.1
155.10782	7.7
156.11122	0.5
167.10777	15.9
168.11043	0.5
183.10272	0.8
185.00977	0.9
185.11836	100.0
186.12158	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03435	0.5
58.00578	0.8
59.01375	1.3
71.43952	0.4
72.88640	0.3
85.57977	0.4
95.06234	0.5
97.06557	0.5
103.01437	0.5
107.36349	0.4
112.98784	0.5
123.08175	0.9
125.09733	1.7
127.11311	3.4
137.09727	1.1
139.11272	1.7
141.09206	1.6
141.12862	2.3
146.37730	0.4
155.10753	5.0
157.12341	1.0
167.10759	4.0
185.11823	100.0
186.12173	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.15537	0.3
57.03424	1.1
59.01367	1.6
60.48449	0.4
66.79469	0.4
69.03445	0.8
71.43468	0.4
83.05007	0.4
87.95033	0.4
97.06577	0.4
99.92418	0.3
103.01493	0.5
111.38152	0.3
112.98810	0.8
125.09719	0.9
139.11319	0.9
141.09180	0.7
141.12859	2.6
147.93317	0.4
167.10730	0.8
175.42432	0.4
185.01047	0.5
185.11826	100.0
186.12154	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18097	0.6
58.02959	0.7
58.63848	0.5
59.01375	66.7
61.98827	7.5
71.01409	0.6
74.02467	5.0
83.05023	0.8
90.79768	0.6
97.06584	0.7
99.08125	0.7
115.02525	3.5
116.03590	0.5
117.00447	7.4
125.06066	1.7
125.09678	2.0
127.87071	1.6
131.08249	3.1
141.00453	0.7
142.89371	4.0
143.01985	2.3
143.07080	1.4
143.11899	4.8
144.99892	1.1
159.01486	100.0
160.01605	3.8
186.88303	0.7
186.98489	1.0
186.99171	0.8
187.00980	13.6
187.02629	1.3
187.06126	1.9
187.10918	8.2
188.00543	1.0
188.03439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0764
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
56.63379	0.3
59.01381	1.7
60.59406	0.4
61.98835	2.9
69.47601	0.7
69.47987	0.7
71.01382	0.7
75.02780	0.4
88.38525	0.3
90.62403	0.4
99.92586	1.1
115.00414	0.4
115.92146	0.4
125.09708	4.3
141.86824	6.1
142.89392	0.5
157.06516	0.6
159.01462	0.4
159.87839	3.0
168.97792	0.4
172.05296	28.9
173.05646	1.0
185.09625	0.3
187.07639	100.0
187.11247	3.4
188.07994	3.7
194.45204	0.4
204.04291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03447	4.1
59.01376	1.3
70.49571	0.7
70.49902	0.8
79.56719	0.6
82.83304	0.6
85.55019	0.7
95.05041	0.9
95.28767	0.7
97.06587	11.6
104.49931	0.6
109.09118	0.6
123.08178	5.3
125.09722	100.0
126.10057	2.1
143.10774	2.1
145.08730	2.3
169.08730	2.5
187.09756	50.1
188.10149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.0
61.98821	3.7
71.01360	1.4
81.03381	1.1
87.00886	1.1
89.28499	1.0
93.07092	4.3
93.53591	0.9
95.05027	2.0
97.06586	1.6
107.05013	3.4
120.05793	7.9
125.06071	1.8
125.09733	12.9
133.06552	2.1
141.86819	10.8
152.04831	1.5
157.06593	9.2
159.11755	1.4
159.87837	2.9
164.43341	1.0
169.10214	4.1
170.07344	1.7
171.08156	3.8
172.08916	11.6
185.09756	7.7
187.02669	1.1
187.09772	8.4
187.11275	100.0
188.11603	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.15099	0.4
59.01377	1.3
61.98822	0.9
89.62238	0.4
93.84635	0.4
96.99319	0.6
97.06552	0.8
125.09727	5.8
141.12872	6.1
141.86829	1.6
159.01616	0.6
159.28256	0.4
159.87941	0.8
169.12308	2.3
185.11771	0.9
187.01035	0.5
187.09937	3.5
187.13399	100.0
188.13702	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
57.17724	0.3
59.01376	2.0
60.06264	0.3
61.98823	3.4
72.20647	0.3
78.78287	0.3
81.48627	0.3
93.20816	0.3
99.92586	3.7
102.03498	0.7
115.92113	0.4
116.92827	0.8
127.07661	0.4
129.05591	0.5
132.04573	0.5
141.85672	0.5
141.86810	14.6
144.04547	100.0
145.04924	2.9
159.03287	0.4
159.87868	5.7
160.01724	0.3
160.04042	1.5
168.57899	0.3
176.76501	0.3
187.86136	1.0
188.03516	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03451	2.1
58.20227	0.4
59.01388	3.5
73.02954	0.6
83.05025	1.2
85.06572	0.8
98.40373	0.4
99.08165	23.4
100.08456	0.5
120.04551	0.7
127.07659	28.7
129.05585	100.0
130.05910	1.7
143.07143	0.6
143.10744	0.8
145.08693	4.3
146.02486	0.6
151.74893	0.4
160.97705	0.5
161.56612	0.5
171.06602	6.2
189.03052	1.4
189.07690	43.1
189.11317	2.0
190.07976	0.7
199.18558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56880	0.3
57.03451	5.0
58.18575	0.4
59.01377	3.3
65.16533	0.3
67.01886	2.9
71.01389	1.2
72.99308	1.0
73.02573	0.4
73.02929	2.1
73.29767	0.4
75.02399	0.5
81.03458	0.5
83.04996	0.4
85.02948	36.5
86.03265	0.5
87.00875	44.0
91.01895	1.0
93.03449	3.7
96.65416	0.5
98.22669	0.8
99.00850	0.6
109.02962	0.9
111.00880	100.0
112.01203	1.9
116.92854	0.4
117.01978	0.5
118.99317	0.8
119.01366	1.2
121.02993	0.9
127.03999	2.1
129.01947	6.3
130.99876	0.5
145.86266	0.7
147.00908	2.0
147.01958	0.7
147.02994	0.6
147.04590	0.5
148.92409	1.0
154.99850	1.2
163.00360	1.3
165.01918	0.8
171.03015	0.8
173.00912	3.1
173.04539	1.0
176.01096	0.4
190.99921	1.4
191.01993	13.2
191.05603	52.4
192.05997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.6
59.01376	3.4
60.36291	0.3
66.23270	0.3
67.01893	4.3
68.49303	0.3
69.03440	0.3
70.24448	0.6
71.01378	1.9
73.02948	0.8
76.28298	0.4
81.03478	0.5
83.01400	0.3
83.05030	0.4
85.02950	40.5
86.03295	0.6
87.00875	51.2
88.01220	0.3
93.03459	3.1
99.00875	0.9
99.04521	0.3
101.02451	0.5
109.02972	0.7
111.00881	100.0
111.04495	1.0
112.01206	2.0
127.04027	2.2
129.01944	6.3
129.41515	0.3
130.99919	0.8
147.03061	0.3
154.99892	0.8
167.74100	0.3
167.75665	0.3
171.03056	0.5
173.00862	1.5
173.04543	0.7
188.83421	0.3
190.69762	0.3
191.01993	11.4
191.05617	45.2
192.05934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.6
59.01376	3.4
60.36291	0.3
66.23270	0.3
67.01893	4.3
68.49303	0.3
69.03440	0.3
70.24448	0.6
71.01378	1.9
73.02948	0.8
76.28298	0.4
81.03478	0.5
83.01400	0.3
83.05030	0.4
85.02950	40.5
86.03295	0.6
87.00875	51.2
88.01220	0.3
93.03459	3.1
99.00875	0.9
99.04521	0.3
101.02451	0.5
109.02972	0.7
111.00881	100.0
111.04495	1.0
112.01206	2.0
127.04027	2.2
129.01944	6.3
129.41515	0.3
130.99919	0.8
147.03061	0.3
154.99892	0.8
167.74100	0.3
167.75665	0.3
171.03056	0.5
173.00862	1.5
173.04543	0.7
188.83421	0.3
190.69762	0.3
191.01993	11.4
191.05617	45.2
192.05934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Anemonin
Peak:m/z	Relative Intensity
57.03432	1.2
59.01369	1.8
59.66644	0.3
59.92090	0.4
67.01907	0.4
71.43569	0.4
73.02932	0.5
79.18225	0.4
80.44294	0.4
82.21010	0.3
85.02944	5.7
87.00876	7.4
93.03499	0.6
94.99348	0.4
111.00883	18.3
112.01237	0.5
118.99313	5.8
119.01326	0.4
119.05021	1.1
121.02957	100.0
122.03299	2.3
129.01952	1.3
133.24878	0.3
137.00363	1.1
139.30829	0.3
146.98776	0.6
147.04515	6.5
154.99956	0.6
163.00508	0.3
173.00934	0.5
176.01131	0.6
190.97847	2.2
191.01912	2.0
191.03535	8.0
191.05609	4.9
191.07181	0.3
191.10815	0.5
210.77042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01379	2.8
61.11716	0.2
67.01895	1.4
69.03445	0.6
70.50387	0.3
70.76871	0.6
71.01382	2.1
72.99348	0.2
73.02938	0.7
81.03448	0.8
83.01405	0.5
83.05007	0.8
85.02950	23.1
87.00877	12.1
93.03458	5.6
94.03820	0.2
99.00880	0.4
99.04513	1.0
108.48222	0.2
109.02927	1.3
111.00885	20.2
111.04514	2.4
111.80059	0.2
112.01218	0.4
115.04056	0.2
117.53418	0.2
125.02431	0.3
127.04012	4.3
129.01939	1.6
137.02470	0.3
149.53290	0.2
155.03523	0.5
171.02991	0.9
173.00876	0.3
173.04515	1.8
191.02075	3.3
191.05611	100.0
192.05943	2.3
194.01472	0.2
212.35506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.07495	0.2
57.03439	0.7
59.01373	4.3
60.99294	0.3
67.01884	1.4
69.03439	0.9
70.08971	0.6
70.09315	0.3
71.01378	2.4
73.02935	1.3
81.03448	1.1
83.05012	1.2
85.02944	28.4
86.03281	0.3
87.00875	7.3
93.03452	8.5
98.99050	0.2
99.00879	0.3
99.04538	1.2
108.02118	0.3
109.02950	2.7
111.00875	4.8
111.04501	2.8
113.02451	0.4
125.02488	0.5
127.04005	5.2
129.01955	0.4
137.02460	0.6
153.01987	0.3
155.03427	0.3
160.56792	0.2
171.02959	1.6
173.04517	2.0
185.56842	0.2
191.05598	100.0
192.05933	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Scytalone
Peak:m/z	Relative Intensity
54.07829	0.2
57.76498	0.2
69.21435	0.4
69.21845	0.6
79.26602	0.2
88.63650	0.2
93.03459	0.4
98.21905	0.4
99.19696	0.2
106.04245	0.6
108.02118	0.2
111.00876	0.2
121.02958	1.5
129.17973	0.2
132.02223	0.3
133.02957	16.1
134.03746	31.2
135.04094	0.4
136.01654	0.4
137.02444	7.1
139.04015	2.0
141.45535	0.2
149.02443	0.4
149.06029	0.3
150.03214	0.7
161.02441	26.1
162.02783	0.8
165.01903	0.3
178.02727	4.1
189.02577	0.2
193.05052	100.0
194.05408	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
55.92524	0.4
63.45340	0.5
106.04256	0.7
115.04174	0.5
117.03480	0.5
121.02937	1.3
133.02983	4.2
134.03740	100.0
135.04111	2.3
137.02455	6.4
139.04031	2.1
149.06085	18.3
150.03308	0.5
150.06393	0.5
154.11580	0.4
171.70355	0.5
178.02713	52.4
179.02972	0.8
193.05046	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64497	0.6
59.01379	100.0
67.45679	0.6
69.39431	2.2
75.00885	0.9
79.63515	0.7
107.03769	8.4
107.04461	0.8
118.03029	0.7
121.02961	1.0
122.06116	10.4
122.51304	0.7
134.02492	2.1
135.04109	1.6
136.01692	2.2
150.03186	0.9
150.05614	16.8
150.06790	1.3
151.04073	1.0
152.07170	12.1
152.91806	1.9
164.07079	0.7
179.02133	4.1
180.04440	1.1
192.06631	1.2
194.04675	2.7
194.08228	3.7
194.92834	1.1
195.06653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0298
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.22033	0.4
61.45849	0.4
62.79662	0.4
67.01873	1.0
68.99813	0.5
69.44315	2.0
75.00875	1.5
83.01378	1.7
93.03432	0.4
95.01385	1.9
102.27103	0.4
103.66840	0.4
107.01397	3.2
107.04979	2.0
108.02173	44.5
109.02497	0.7
111.00872	9.8
113.64513	0.4
122.03723	1.9
123.00885	18.5
124.01664	19.3
129.01907	0.6
135.00896	2.7
136.01659	9.2
136.04303	0.9
137.02493	2.1
139.00372	1.7
142.39568	0.5
145.01137	0.4
149.02446	1.5
150.03220	10.9
151.03984	2.7
152.01187	4.2
152.91769	0.5
153.03055	0.7
163.04028	0.4
164.04823	0.4
165.01927	0.8
165.05573	9.5
167.03473	7.3
168.03833	0.4
180.02815	0.4
180.04277	1.9
195.02977	100.0
195.10136	0.9
196.03325	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
56.94063	0.9
57.03440	4.6
59.01377	23.4
69.82471	1.7
69.82825	1.7
71.01377	14.3
72.99307	4.0
75.00870	100.0
77.65715	0.8
79.26169	0.8
80.66320	0.7
81.61040	0.8
83.01364	2.2
83.85896	0.7
85.02969	8.9
87.00874	24.5
89.02431	7.7
96.96017	4.5
99.00883	19.3
101.02435	2.5
105.01928	19.9
111.00869	2.8
117.01975	1.1
129.01942	48.1
141.02016	1.2
147.03017	7.0
150.03122	0.9
152.91637	0.8
158.35982	0.8
159.03044	4.0
177.04042	11.1
195.05087	87.5
196.05453	2.4
201.93422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
67.01900	0.7
69.23595	0.7
69.23982	1.0
75.00881	1.1
93.03484	0.6
95.01417	0.4
109.02972	2.1
113.38430	0.3
121.02886	0.3
122.03737	0.3
123.04516	0.7
129.01964	0.7
136.18129	0.3
137.02452	19.1
150.03203	1.8
151.03983	1.2
152.91808	0.7
152.94482	0.4
165.01935	86.7
165.05545	1.7
166.02242	1.9
179.03494	1.5
180.04289	100.0
181.00188	0.7
181.04619	2.7
194.70581	0.3
195.05235	1.2
195.06635	25.5
195.10312	1.0
196.06949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.11942	0.2
59.01376	3.5
59.08643	0.2
61.48918	0.2
69.63174	0.9
79.97648	0.2
83.05059	0.4
94.88584	0.2
96.95981	0.3
97.06599	0.5
98.22569	0.5
102.56562	0.3
150.03258	0.5
151.11299	0.5
153.25244	0.2
160.84212	8.6
173.78838	0.2
177.12859	3.9
195.13893	100.0
195.81085	4.7
196.14252	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.85565	0.2
69.87705	0.5
70.38083	0.2
76.30297	0.2
80.32693	0.2
81.08801	0.2
81.58118	0.2
94.04248	0.2
109.06590	3.7
111.08157	3.4
122.03708	0.4
125.09720	0.7
135.11807	0.4
138.06851	2.7
139.07660	0.4
150.03136	0.2
151.11179	0.5
160.84209	7.6
167.14413	5.8
168.14809	0.2
176.89517	0.3
179.10764	4.7
180.11330	0.3
194.90556	0.9
195.13892	100.0
195.81087	6.1
196.14227	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.93090	0.2
59.01377	3.6
64.31305	0.2
70.76295	0.5
72.31011	0.2
83.05025	0.4
150.03241	0.4
152.91733	0.3
160.84210	5.4
177.12820	3.7
194.92819	0.2
195.13892	100.0
195.81090	2.7
196.14243	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0615
Annotation	N,N-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
59.01371	0.8
59.81467	0.8
61.98812	3.5
62.86037	0.7
67.64554	0.9
67.90796	0.7
70.46348	0.7
71.41360	0.8
80.05053	2.3
83.01383	20.6
94.02982	7.3
96.04518	0.9
103.92036	1.2
108.04548	11.1
116.92905	1.1
120.04547	0.9
121.01669	2.3
121.02953	3.5
122.02488	16.9
123.00954	1.7
135.00861	1.5
136.04039	8.6
137.02379	1.0
152.03577	3.6
153.01903	0.9
154.05099	4.7
154.06128	0.8
160.84232	17.0
164.03531	15.4
165.04314	2.3
166.05078	2.2
166.99789	0.9
181.00156	3.5
182.02211	2.0
195.01337	0.7
195.81073	8.0
196.02519	4.4
196.06145	100.0
197.04666	1.1
197.06494	2.2
197.11801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
57.83597	0.8
59.01372	1.5
61.98830	0.9
65.01472	0.9
65.99841	2.4
68.99805	1.0
76.01920	1.9
78.03473	2.3
81.03481	0.7
89.00268	0.7
92.01436	0.9
94.02975	1.1
94.72382	0.9
95.01386	2.2
104.01419	2.0
107.06172	1.3
108.02177	1.1
109.02950	3.1
112.01658	0.9
116.92835	1.4
120.00916	2.5
121.02953	1.9
122.02505	1.2
123.00875	3.6
125.02428	0.9
126.90486	3.4
132.00919	1.0
133.01668	2.6
136.00481	1.1
137.01181	1.2
137.02452	1.4
138.01965	2.4
138.03186	1.3
145.71909	0.9
150.01952	6.5
151.02725	1.9
152.95990	1.2
153.05551	1.5
160.84193	8.7
161.14439	0.8
161.84239	1.9
162.83914	24.0
163.01500	1.3
166.99835	3.3
167.02216	2.2
167.99399	6.2
168.01743	1.2
179.01027	3.5
180.01726	6.2
182.02184	6.0
183.01724	7.2
197.02025	100.0
197.11804	13.1
197.80800	8.9
198.02414	1.7
198.04146	2.1
203.48077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Syringic acid
Peak:m/z	Relative Intensity
63.24301	0.6
68.74149	0.7
70.21034	0.8
70.21355	1.5
71.35079	0.7
75.63152	0.7
78.01111	2.1
82.02966	0.9
83.01389	0.8
84.70782	0.6
89.00311	4.2
91.01896	1.5
95.01379	12.2
106.00636	3.9
107.06096	1.0
109.02935	0.9
116.92834	1.6
121.02956	39.6
123.00884	61.9
124.01237	1.2
135.08182	0.7
137.02383	1.1
138.03226	18.1
141.10336	1.2
146.22289	0.6
153.05569	30.3
153.09204	1.3
154.05899	0.8
162.83934	2.4
164.47487	0.7
166.99858	42.8
167.99355	2.2
179.03510	0.8
181.01366	1.6
182.02206	100.0
183.01663	2.2
197.04547	39.1
197.08189	1.7
197.11630	2.1
197.13272	4.0
197.80785	1.0
198.04926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
58.40914	0.6
61.98827	1.0
66.71977	0.7
69.03453	1.1
69.48752	1.7
71.05009	1.7
77.07231	0.6
95.05019	0.9
97.06586	11.0
99.08137	3.3
121.02990	1.1
122.03771	3.2
123.00876	2.3
126.03220	1.2
126.90511	3.5
134.86578	1.0
137.09752	1.1
138.03261	0.8
143.42273	0.7
149.07175	1.0
153.01926	0.8
153.12851	84.4
153.61845	0.6
154.13158	2.4
159.05434	0.7
160.84221	36.0
161.84239	5.3
162.83914	100.0
166.99881	2.1
167.99362	4.1
169.12300	1.2
175.30809	0.6
178.99861	1.1
179.10773	18.6
180.11148	1.0
180.85951	1.0
182.00708	1.0
182.02199	5.2
183.01749	5.8
183.11359	0.6
196.81175	2.1
196.91135	1.0
197.02010	2.3
197.04564	1.8
197.11826	17.6
197.15477	2.3
197.80800	54.7
198.04076	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.54528	0.2
52.93214	0.2
56.76325	0.2
58.07573	0.2
59.01374	0.6
69.03456	1.8
75.24110	0.2
83.05020	1.1
85.21979	0.2
97.06567	0.3
113.88320	0.2
123.00884	0.4
123.08171	0.4
125.09748	0.3
141.09181	1.0
150.74544	0.2
151.11258	0.8
153.09270	1.1
153.12833	3.6
160.84207	3.3
161.84216	0.4
162.83907	8.2
169.12338	15.0
170.12679	0.3
179.10738	2.0
182.02278	0.4
183.01723	0.5
197.11821	100.0
197.80762	4.4
197.82617	0.2
198.04002	0.3
198.12163	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79993	0.3
59.01363	0.4
69.03448	1.6
69.31014	0.6
69.31410	0.8
73.12105	0.3
81.03429	0.4
81.17888	0.3
83.05022	1.2
87.70548	0.2
107.06132	0.3
116.10699	0.3
118.33695	0.3
123.00874	0.4
123.08085	0.3
125.09627	0.3
125.93559	0.2
126.90513	0.7
138.03252	0.3
141.09193	0.9
151.11255	0.5
153.09215	1.2
153.12851	3.4
154.13248	0.3
160.84219	2.6
162.83896	7.0
167.99376	1.0
169.12340	16.0
170.12704	0.3
179.10791	1.8
182.02185	1.0
183.01711	0.8
197.11819	100.0
197.80777	6.0
198.04097	0.3
198.12100	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.69625	0.5
59.01384	0.8
69.03453	1.7
71.01392	0.6
80.96520	0.7
83.05019	0.7
86.37551	0.5
93.43824	0.5
95.93922	0.5
104.59243	0.7
107.06142	0.6
112.01656	0.7
123.00883	2.1
125.02439	0.8
126.90490	1.8
153.01913	0.6
153.09189	1.1
153.12830	3.9
160.84213	4.2
162.83897	8.7
166.99878	1.6
167.99385	3.5
169.12335	16.0
178.99825	1.0
179.10779	2.1
182.02191	3.2
183.01695	3.4
191.39526	0.5
197.08084	2.2
197.11829	100.0
197.80782	5.4
198.12192	2.1
201.38460	0.5
219.66733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
58.39610	0.4
59.01346	0.7
61.35219	0.4
65.00307	0.4
69.03447	1.4
69.70639	1.6
83.05029	0.8
97.06551	0.5
107.06133	0.5
109.02961	0.5
116.92899	0.5
121.02966	0.4
123.00873	1.4
126.90531	1.7
138.03256	0.5
138.72397	0.4
141.09262	0.7
153.05605	0.6
153.09222	2.1
153.12851	3.3
160.84221	4.5
161.84201	0.5
162.83908	11.5
166.99808	1.5
167.99364	3.7
169.12338	15.7
178.99768	0.6
179.10767	1.7
182.02191	3.5
183.01723	3.0
185.79263	0.4
197.04530	1.3
197.11823	100.0
197.80800	5.6
198.04022	0.7
198.12163	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35086	0.5
52.09702	0.6
59.01404	0.8
69.03444	2.4
69.48927	1.3
69.49313	1.2
71.86530	0.6
83.05037	1.0
95.01366	0.9
97.06655	0.6
107.06174	0.8
112.01642	1.4
123.00890	2.1
126.90493	2.1
136.51987	0.6
138.03270	0.7
141.09233	0.8
153.05585	0.9
153.09210	1.6
153.12837	4.4
160.84245	2.8
162.83920	7.7
166.99896	1.0
167.99417	3.1
169.12358	14.9
172.45566	0.6
178.99908	0.6
179.10776	1.7
182.02228	5.2
183.01733	4.0
197.04594	1.3
197.08096	2.2
197.11838	100.0
197.80811	5.8
198.03932	0.9
198.12207	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.7
65.97330	0.8
70.34030	1.4
87.84104	0.6
89.41597	0.9
105.46488	0.7
125.87312	1.9
127.93150	84.9
129.92323	1.8
138.77504	0.7
139.87274	0.8
139.92233	0.5
139.93149	36.2
154.95496	100.0
155.87108	4.7
155.93890	0.8
155.95662	1.0
162.83937	2.2
164.83621	2.4
198.94472	22.4
199.13385	1.0
199.80563	1.5
199.98732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.8
71.43243	0.4
73.02945	2.5
83.05014	0.9
88.94207	0.3
99.00830	0.6
108.00680	0.3
111.00883	0.4
127.00387	0.3
127.93156	2.8
134.73439	0.3
135.08157	1.0
137.08731	0.6
137.09714	8.1
139.93156	0.6
144.61327	0.3
154.51932	0.3
154.95494	2.9
155.10773	100.0
156.11089	2.0
169.12331	0.4
181.08733	0.8
182.25908	0.3
184.02019	0.5
198.94490	0.6
199.09758	11.7
199.13376	5.3
199.17065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01382	0.7
67.01916	0.4
68.15676	0.4
73.02935	1.5
83.05037	0.8
99.00902	1.0
99.08185	0.6
102.63883	0.4
106.37033	0.4
111.00938	0.4
114.45229	0.4
123.03461	0.4
127.93153	3.7
135.08134	0.9
137.09727	9.4
139.63983	0.5
139.93181	0.9
141.88176	0.4
154.95486	3.2
154.99820	0.4
155.10785	100.0
156.11140	2.3
159.35617	0.5
168.99631	0.5
169.12378	0.7
181.08708	1.2
184.02133	0.8
184.93246	0.5
198.94507	0.8
199.09766	13.1
199.13403	8.5
200.10007	0.5
206.06024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03432	0.4
59.01363	0.5
69.03449	0.3
70.35562	0.3
80.61098	0.3
98.21864	0.7
99.00867	0.4
99.08125	0.5
127.93165	1.9
137.09718	6.1
139.93167	0.6
141.12862	0.6
153.11954	0.3
154.95485	2.0
155.10779	100.0
156.11095	2.9
157.93979	0.3
169.12358	1.0
181.08669	1.0
198.94316	0.4
199.09760	9.5
199.13393	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
55.40459	2.1
57.03439	2.2
58.00589	10.9
59.01367	7.1
61.98827	3.3
67.01861	2.4
68.99812	3.8
69.03453	3.8
69.22190	11.4
71.01374	4.7
71.69774	1.9
72.99310	2.4
73.02946	25.5
83.01385	4.3
84.02156	4.3
96.99686	2.2
99.00877	8.1
99.08144	3.0
107.88892	2.3
111.00867	7.9
123.08173	3.3
125.06075	9.1
125.09753	14.4
125.87407	2.6
127.00359	8.8
127.11297	12.0
127.93166	17.9
135.08168	6.4
136.98860	2.9
137.09715	17.1
139.93077	2.5
143.10811	4.7
149.82318	2.2
151.07660	3.3
153.09177	9.2
154.95471	18.4
155.10808	11.4
155.87120	2.8
161.84229	3.8
162.83910	82.5
163.07521	3.1
163.83914	12.1
164.82217	3.8
164.83614	72.9
168.99736	5.0
171.10275	55.3
181.08719	7.8
184.02069	6.2
198.80850	5.7
198.98917	2.6
199.04474	2.6
199.09752	100.0
199.13380	17.8
199.80475	68.7
200.10042	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03443	2.0
58.00591	8.5
59.01381	6.1
61.98808	1.7
62.13980	1.2
67.01833	1.2
69.03439	5.2
69.42241	4.7
71.01371	4.8
72.99300	1.6
73.02945	23.8
83.01379	2.1
83.05014	2.3
84.02163	3.6
97.06561	1.7
99.00872	3.3
101.06114	1.3
109.06634	1.5
111.00874	3.4
119.08669	1.8
123.08194	3.0
125.06049	7.0
125.09729	15.4
127.00362	4.4
127.11265	7.6
127.93142	11.8
135.08159	2.1
137.09731	13.6
139.93159	1.8
141.09180	3.7
142.06955	1.2
143.10759	4.9
151.07654	3.9
153.09225	6.2
154.95496	12.3
154.99844	1.6
155.10782	10.1
161.84256	3.1
162.83913	56.0
163.07730	1.7
163.83948	7.3
164.83607	45.7
171.10265	53.5
180.49605	1.2
181.08739	7.4
184.02055	2.1
185.15842	1.3
198.80789	4.6
198.94432	2.3
198.98709	1.3
199.09755	100.0
199.13455	8.0
199.80484	40.6
200.10072	1.6
210.07082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03430	1.1
57.33789	0.5
59.01385	1.2
61.70813	0.6
67.01873	0.8
69.03477	0.6
69.74758	1.6
83.01390	0.9
99.00874	4.2
99.08139	1.8
109.64969	0.6
111.00874	1.6
127.00377	0.9
127.93148	11.6
137.09747	0.7
139.11279	1.2
139.93195	2.9
141.12788	0.8
154.95476	12.3
155.10793	1.9
155.14412	2.1
162.83911	13.1
163.83949	1.1
164.83607	11.9
168.99733	1.3
169.12375	1.3
181.12282	0.7
184.02068	2.0
191.13123	0.6
198.94420	2.2
199.09610	2.7
199.13380	100.0
199.80469	10.6
199.98819	0.9
200.13637	3.1
202.43352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.09818	0.2
58.00613	0.3
63.45899	0.3
69.61880	0.3
69.66199	0.3
71.05019	0.7
98.21809	0.6
114.06419	0.3
125.09754	1.5
127.11305	3.3
127.93152	1.0
131.88637	0.3
139.93126	0.4
153.12825	1.2
154.95503	1.3
155.14372	0.7
163.11287	0.7
181.12349	1.0
182.45296	0.3
197.11783	1.5
199.13383	100.0
200.13745	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.36783	0.4
55.63687	0.4
59.01368	0.6
69.70781	0.8
69.71138	0.7
78.38694	0.4
85.06698	0.4
127.93143	0.8
144.74496	0.4
147.44485	0.4
154.95508	0.8
163.11288	0.8
169.12344	5.0
181.12341	21.1
182.12685	0.4
184.01965	0.4
197.11833	1.7
199.13385	100.0
200.13718	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10961	0.3
53.20766	0.3
55.65168	0.3
59.01379	100.0
60.01701	0.5
71.13248	0.4
80.67751	0.3
104.98608	0.4
113.04668	0.5
136.90833	0.4
157.03558	6.8
159.01518	1.9
167.17444	0.3
167.85660	0.4
195.00545	0.3
201.02545	13.9
202.02792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.3
69.54029	0.9
88.04018	0.6
98.22694	0.3
115.02573	0.3
126.98531	0.3
157.03558	6.4
159.01488	1.6
201.02541	15.0
201.12367	0.5
202.02707	0.4
221.90282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.75908	0.5
56.83726	0.5
57.03454	6.4
59.01377	3.4
67.20390	0.5
99.92595	1.0
111.08150	4.7
137.09718	1.7
138.72566	0.6
139.11298	93.4
140.11626	2.2
141.47725	0.6
141.93248	1.6
147.84090	0.6
157.12347	1.6
176.89330	0.6
183.10269	47.9
184.10616	1.3
187.19597	0.6
201.11330	100.0
202.11713	2.8
219.91998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.00669	0.3
57.03442	0.9
58.00599	1.7
59.01383	8.9
69.03452	0.4
69.15535	1.0
71.05029	0.5
72.99296	0.3
73.02941	0.7
75.00883	0.3
87.04506	0.5
97.06585	0.5
97.89767	0.3
99.92579	1.2
108.59825	0.3
113.02422	0.3
116.84595	0.2
123.08151	0.4
124.46274	0.2
125.09731	5.9
127.11297	9.2
128.20940	0.2
137.09726	1.7
139.11282	1.9
141.93153	1.9
155.10793	4.4
157.12315	0.6
159.01505	0.3
165.09229	3.4
166.09512	0.2
171.10258	3.8
183.10274	2.6
183.98592	0.3
199.09749	3.5
201.02657	1.2
201.11331	100.0
202.11681	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.05630	0.4
57.03456	2.7
59.01381	32.1
67.01893	1.4
69.03468	0.7
69.38779	0.4
69.94951	1.0
69.95281	0.5
71.01384	1.3
71.05022	1.4
73.02924	0.6
80.02715	0.4
83.05019	2.0
84.02187	0.7
85.02953	3.2
85.06615	0.5
87.04500	0.8
89.94965	0.4
95.05026	1.8
97.06590	16.3
99.08162	11.3
99.92574	2.0
103.03996	0.9
109.06598	0.9
111.08125	0.6
113.50843	0.4
115.07614	0.4
125.09760	0.7
127.11298	3.9
135.08186	0.5
137.09753	1.4
139.07657	1.7
139.11293	7.2
141.93201	2.3
143.07124	1.7
144.37952	0.4
155.10753	1.8
157.03563	0.8
157.08725	1.3
157.12318	0.8
159.01523	0.9
165.09224	1.0
181.08704	2.0
183.06703	0.4
183.10278	10.2
201.02632	4.0
201.05542	1.3
201.11328	100.0
202.11649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.72403	0.4
57.03446	2.8
59.01379	32.8
69.03443	1.2
71.05013	0.8
71.25053	0.6
71.52543	0.5
72.99310	22.0
73.02948	2.5
75.27929	0.4
78.23248	0.4
83.05029	0.8
85.02940	0.6
91.92818	0.5
97.06573	0.5
99.92576	2.7
102.94310	0.5
107.08654	1.5
109.10231	1.5
111.08160	0.8
114.55337	0.5
121.10228	0.6
125.09711	4.8
127.11301	3.0
135.08165	0.4
137.09750	1.3
139.11322	3.2
141.93092	3.7
147.04506	1.1
155.10789	9.5
157.03555	1.1
157.08679	1.0
157.12323	0.8
157.43213	0.5
159.01457	0.9
165.09189	1.4
170.25461	0.5
171.10272	0.6
183.10255	32.3
184.10535	0.8
199.09688	1.5
201.02591	5.0
201.11320	100.0
202.11644	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03448	5.4
58.00588	2.9
58.50301	0.5
59.01378	11.4
69.03469	2.3
69.27821	2.4
71.01366	1.3
71.05021	6.1
71.76637	0.4
73.02952	1.2
83.04997	0.7
85.02948	2.3
87.04512	9.0
96.95994	2.4
99.92565	0.7
101.02419	0.8
113.02464	5.4
118.43251	0.5
120.14956	0.5
121.10235	2.8
125.06015	0.4
125.09727	6.6
127.07597	0.4
127.11297	8.4
131.03477	3.5
137.09714	2.0
139.11278	6.7
141.93095	0.7
155.10754	4.9
157.03561	0.7
157.08675	0.5
157.12312	1.0
165.09200	5.6
171.10277	3.6
180.20862	0.5
183.10263	15.5
199.09677	3.5
201.02528	1.1
201.11317	100.0
201.61151	0.5
202.11653	2.1
215.88065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.81723	0.2
57.36044	0.2
58.86782	0.2
59.01375	2.3
61.62284	0.2
62.99533	0.2
69.28582	0.2
69.38553	0.5
69.38943	0.5
90.76694	0.3
99.92573	0.6
103.28042	0.2
105.34634	0.2
134.70178	0.2
141.93166	1.5
153.12837	0.3
155.14426	5.2
183.13882	2.0
199.13388	0.8
199.50723	0.2
201.14961	100.0
202.15289	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.20562	0.7
54.28564	0.7
55.95028	0.8
59.01371	3.8
69.33566	0.6
69.96983	2.0
72.00504	1.1
72.00905	18.5
73.02950	1.1
74.02470	38.4
77.22747	0.8
85.73061	0.7
89.09730	0.7
89.20825	0.6
89.55995	0.6
93.44135	0.7
116.05061	100.0
117.05415	2.0
129.05806	0.9
130.06621	2.6
142.06618	26.5
157.07701	1.0
159.09265	17.9
161.04831	0.9
174.99249	1.5
186.05595	3.1
202.98650	0.9
203.08255	72.0
204.08557	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.08407	0.2
57.03445	2.6
58.98343	0.3
59.01380	6.6
63.55080	0.2
69.03456	0.3
69.35023	1.1
71.04977	0.2
72.05983	0.3
85.02958	0.3
87.04498	0.7
97.02975	0.3
97.06573	1.0
99.08157	5.4
100.92610	0.4
104.97762	0.4
125.13200	0.3
127.11295	2.2
132.98161	0.5
137.09734	0.4
139.11295	0.7
142.93695	0.4
143.07114	1.5
143.92780	0.4
155.10727	0.5
157.12376	1.4
160.97685	1.0
167.10785	0.5
174.99214	3.1
185.11812	4.7
201.11369	3.5
202.94121	0.5
202.98721	1.1
203.12871	100.0
204.13225	2.7
213.33650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.4
60.01711	8.2
61.01800	2.0
61.98829	100.0
62.02134	0.4
70.02270	0.5
70.51559	0.2
71.01390	0.6
72.99326	0.4
73.02956	0.5
85.02971	0.5
86.98077	0.2
87.00907	0.3
88.04071	0.3
104.92825	0.3
111.00928	0.9
116.01756	0.3
132.06737	0.4
143.86624	1.1
145.24165	0.2
160.03773	0.6
161.01292	0.3
161.04581	0.4
161.87634	0.3
161.97237	0.7
162.01631	0.5
175.99632	0.6
203.98241	0.5
204.00020	0.6
204.02699	4.1
204.08859	0.3
205.15985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.3
57.03447	15.2
58.02994	2.8
58.92429	2.4
59.01380	75.2
60.01719	3.1
60.99297	7.9
61.01796	11.8
61.98829	100.0
67.01885	10.3
67.61957	2.7
68.99828	4.6
71.01377	53.6
71.40903	2.9
72.98893	3.6
72.99307	66.7
73.02954	15.9
73.51122	3.2
74.00069	3.4
75.00869	46.0
83.01391	34.2
85.02948	32.9
87.00884	16.4
89.02448	24.8
89.96136	2.5
99.00877	47.6
100.98806	11.6
101.02455	9.4
111.00869	40.5
115.00380	35.4
125.02419	3.9
127.04033	4.3
129.01949	40.8
129.11110	3.0
130.08737	7.2
131.04657	3.7
131.09164	4.5
133.01418	15.7
142.99886	11.0
145.01419	7.9
159.05566	3.0
178.06781	2.6
187.05089	10.7
205.03191	4.1
205.06741	4.6
205.16010	24.9
214.93646	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1233
Annotation	(plusmn)-Ibuprofen
Peak:m/z	Relative Intensity
64.13806	1.3
73.05026	1.0
93.07088	3.6
105.07089	3.1
135.11786	4.3
150.06873	21.1
161.13351	22.5
205.12331	100.0
206.12660	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.82868	1.0
58.02973	49.2
59.01365	4.0
59.03600	0.8
69.37099	4.3
70.02976	13.6
72.00900	6.2
72.35613	0.8
91.05533	19.9
98.21844	2.0
101.75630	0.9
103.05492	1.1
107.93275	1.0
135.04507	2.6
147.03319	1.9
147.04517	37.1
148.04886	1.1
149.02499	1.0
162.09151	1.5
163.00439	1.4
163.03999	1.1
164.07161	100.0
165.07513	1.8
177.01953	1.6
190.99826	1.9
192.00623	2.7
192.04318	1.3
206.08199	47.1
207.08508	1.1
215.26666	1.1
219.01712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10939	0.6
51.63314	0.7
55.01861	1.0
58.00584	4.1
59.01379	42.5
61.98830	1.7
68.99813	0.7
71.01377	9.0
72.99305	2.2
73.02942	4.7
75.00832	0.7
75.19456	0.7
83.01392	2.2
85.02937	0.8
87.00884	1.6
88.36880	0.7
89.02448	6.9
94.80391	0.6
95.63816	0.7
99.00876	2.5
101.99598	1.5
108.90139	0.9
108.93753	1.0
113.02438	1.0
115.00353	4.5
115.03993	1.0
117.01941	100.0
117.05605	1.7
118.02241	1.1
120.99641	3.4
129.01958	1.8
131.04565	0.9
133.01434	9.4
135.11139	0.7
145.02934	1.6
147.02919	0.8
161.04555	0.9
164.92735	1.2
177.01892	1.9
189.04080	1.8
192.04298	2.5
207.05054	5.5
210.21426	0.7
225.40181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
58.00579	4.2
58.68234	1.0
59.01384	29.5
63.61462	1.1
69.55718	1.7
71.01386	7.2
72.99316	1.2
73.02946	3.9
79.96950	1.1
83.01382	1.8
89.02451	5.9
98.21902	1.4
99.00870	2.8
101.99574	2.4
113.03527	1.2
114.01983	1.9
115.00390	1.2
117.01949	100.0
125.27503	0.9
131.04594	2.7
133.01404	2.3
189.04150	1.4
207.05052	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03429	1.5
58.00599	4.7
59.01378	48.6
60.64960	0.7
61.98837	4.5
64.36280	0.8
71.01381	10.0
72.99291	3.5
73.02942	6.2
75.00846	1.6
76.94473	0.9
78.59129	0.7
83.01385	3.3
85.02939	2.3
87.00861	1.4
89.02436	7.3
99.00896	4.0
101.02477	1.3
101.99580	1.5
106.02264	1.1
108.90212	1.7
108.93688	1.1
111.00824	0.9
113.02426	1.1
113.03568	3.4
114.01975	2.6
115.00354	2.6
115.04005	1.3
117.01938	100.0
117.05574	1.6
118.02292	1.5
129.01920	5.7
131.04639	5.0
133.01433	4.5
133.05119	2.0
134.57715	0.7
145.02948	3.6
147.02943	1.6
164.92725	1.4
177.01949	1.6
189.04041	1.5
192.04378	1.7
193.08107	0.9
207.04962	5.9
222.41576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0661
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
56.82611	0.3
59.01397	0.4
69.46243	0.3
69.46585	1.0
77.03977	0.5
95.05003	0.5
105.03450	3.9
133.02956	33.3
134.03282	0.7
145.17583	0.3
149.01326	0.4
149.02417	1.7
164.04803	2.6
177.01927	11.5
192.04276	100.0
193.04596	2.5
199.42998	0.3
204.63376	0.2
207.06613	21.4
207.13791	0.4
208.06924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1026
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
59.01381	38.1
61.98841	2.6
65.90459	2.4
70.43382	4.9
78.91895	3.1
80.02672	2.9
80.91679	5.0
81.03450	9.0
83.05037	7.8
89.97601	2.2
91.01891	5.7
93.03424	2.6
97.02922	6.1
99.00859	2.6
106.04240	2.6
107.05046	3.8
109.06594	100.0
110.03756	3.0
119.01381	3.8
121.06593	5.2
121.46667	2.0
125.87280	2.3
133.06639	2.9
135.00819	6.2
135.08182	14.1
136.05287	3.8
150.98824	2.6
161.09679	4.9
163.00356	5.1
163.11284	41.1
177.01920	5.3
178.99870	5.7
179.10672	3.0
188.26791	2.4
192.04265	9.6
206.78917	3.6
206.99358	5.2
207.02808	2.3
207.06580	3.0
207.10258	64.7
207.13821	15.0
208.13649	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
56.07310	0.2
57.86359	0.2
59.01376	0.4
69.37163	1.4
73.02882	0.3
73.14853	0.3
77.03963	0.3
79.95737	0.3
81.75040	0.3
85.02938	0.3
91.01890	0.6
97.71289	0.3
102.14774	0.2
120.02171	10.6
121.02955	100.0
122.03282	1.5
133.02948	4.1
136.01636	0.3
161.02359	0.3
165.05811	0.3
177.01907	0.4
179.03487	0.4
194.05797	0.5
209.04529	15.2
209.08200	0.7
209.11774	3.1
210.04767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.55735	0.9
57.03439	4.1
59.01374	9.0
64.20531	0.8
69.03454	21.5
69.79531	2.4
69.79881	0.9
71.05025	2.2
76.83989	0.9
80.82402	0.9
81.02378	0.9
81.03457	0.9
81.08041	0.8
83.05002	3.2
85.56760	0.9
91.34940	1.0
93.03453	1.4
95.05027	2.2
97.06557	1.5
98.22665	1.1
108.05827	2.4
109.06593	1.5
111.08150	5.8
117.74754	1.0
121.02955	2.1
121.10233	2.4
122.25325	1.0
127.07634	1.3
135.08118	2.3
147.11876	2.0
153.09230	7.2
163.11255	2.8
165.09193	3.9
165.12831	21.6
173.09650	1.4
181.12344	21.9
191.09169	1.9
191.10785	24.9
209.11823	100.0
210.12143	2.3
211.12810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.13714	0.3
54.85785	0.3
55.01872	3.2
56.72578	0.3
57.03444	1.9
59.01368	0.4
69.03446	0.8
69.56667	0.7
69.57026	0.5
71.05006	0.5
74.74598	0.3
80.02678	0.6
81.03458	4.2
83.01383	26.3
83.05031	3.7
84.01696	0.3
84.02148	1.1
93.03468	0.3
95.05040	1.2
97.02935	0.3
97.06577	4.4
99.04487	0.5
106.04219	0.4
107.87307	0.3
108.02148	0.4
109.06561	0.6
110.03718	0.3
111.08160	0.6
120.02193	0.9
121.02962	6.2
123.08174	2.2
125.06065	0.5
125.09718	22.4
135.08167	2.0
145.10246	0.3
147.11784	1.0
149.09709	0.4
151.02731	0.4
151.11302	0.4
151.31013	0.3
153.12848	0.5
163.11282	10.1
164.11525	0.4
165.12834	3.7
167.38614	0.3
173.09718	0.5
181.12363	1.7
191.10771	7.4
191.12285	0.3
206.94026	0.3
209.11816	100.0
210.12126	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.79952	0.6
57.03448	7.0
58.00583	1.5
59.01366	2.4
69.03454	2.2
70.07907	1.5
71.01012	1.2
71.01381	16.5
71.01775	0.9
71.05016	1.0
73.02956	1.7
75.77048	0.7
80.02676	2.1
80.23054	0.7
81.03459	2.2
83.01382	2.1
83.05025	5.1
84.02142	1.9
85.91140	0.7
93.03423	0.9
95.05008	3.4
97.06585	4.8
107.05029	1.2
108.02170	0.7
109.06577	1.9
111.08164	3.8
112.01659	1.4
120.02131	1.7
121.02949	13.0
123.08170	1.1
125.09724	6.5
134.03735	0.9
135.08177	1.3
137.09711	1.6
138.57851	0.6
145.10272	2.1
147.11775	3.2
148.70033	0.8
149.09720	1.6
151.10071	1.4
151.11276	26.4
152.11568	0.7
153.09184	1.2
153.12793	3.5
157.39886	0.8
161.09660	1.1
163.11295	8.8
165.09203	0.9
165.12836	24.6
167.10722	1.6
168.86398	0.7
173.09677	2.6
179.10707	4.4
181.12335	39.3
182.12656	1.4
189.85217	0.7
191.10770	17.1
209.11816	100.0
210.12151	2.8
217.81299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03452	2.6
59.01379	100.0
63.70433	0.4
64.99558	0.4
66.15305	0.5
71.45026	0.5
81.03429	0.9
81.37476	0.5
86.62951	0.4
96.59052	0.5
97.06580	2.7
104.22444	0.5
107.08601	0.5
109.06591	4.6
121.02960	5.4
148.63896	0.5
149.09685	0.4
165.12886	3.9
174.78291	0.4
209.09818	1.0
209.11829	19.7
209.15279	1.0
210.12120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66663	0.3
56.97930	0.3
57.03448	3.4
59.01377	100.0
60.01710	0.5
69.39771	1.8
80.02677	0.5
81.03452	1.2
97.06591	2.6
107.08659	0.6
109.06591	3.8
120.02161	0.8
121.02950	6.3
124.07936	0.4
130.87111	0.4
149.09712	0.7
165.12816	4.2
209.11824	16.8
209.15279	0.8
210.12161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0977
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
53.89125	0.8
54.97461	0.8
56.18282	0.9
59.01385	9.3
61.09896	0.8
61.75002	0.7
70.97221	1.2
79.99624	0.7
83.05006	0.9
95.01388	2.1
123.00846	1.1
149.09737	8.8
164.98305	1.7
165.12791	0.8
167.10777	100.0
168.11255	1.7
179.44167	0.9
183.13889	6.6
193.12393	2.0
211.09943	2.1
211.13411	59.3
212.13756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
69.03446	1.3
70.14532	1.1
71.65491	0.4
83.05024	0.6
100.10423	0.4
152.15564	0.5
155.10852	0.4
167.10832	0.4
167.14383	1.2
181.12352	1.0
183.12337	0.8
183.13893	12.5
193.12303	4.2
211.13390	100.0
212.13683	3.1
220.83311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73287	0.4
61.26282	0.4
66.80670	0.5
69.03434	1.0
70.27760	0.5
70.28104	0.9
100.98404	0.4
111.17287	0.5
130.51822	0.4
155.10843	0.5
167.10770	0.5
167.14392	1.5
183.13889	12.5
193.12288	2.7
211.13388	100.0
212.13786	2.6
226.33824	0.4
229.30388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04870	0.3
56.49179	0.3
60.33139	0.3
69.03460	0.6
69.12635	1.9
76.50822	0.3
83.05038	0.4
98.22621	0.7
123.97792	0.3
154.77116	0.3
165.12820	0.5
167.10771	0.9
167.14372	0.9
183.13899	12.7
193.12340	3.2
211.13383	100.0
212.13762	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.21626	0.3
59.01379	0.4
65.00334	0.4
66.94281	0.2
68.18945	0.2
69.03445	0.6
69.25941	1.2
71.16146	0.3
83.05045	0.7
95.01369	0.3
96.10682	0.3
97.06625	0.3
98.22664	0.5
112.63942	0.2
121.85163	0.3
139.00385	0.3
151.00325	0.4
152.45978	0.2
153.64137	0.3
155.10767	0.5
164.12704	0.2
164.98264	1.5
165.12819	0.5
167.10751	0.8
167.14389	1.4
169.12143	0.2
181.01466	0.4
182.99402	0.4
183.13895	11.6
184.14252	0.5
193.12346	3.1
196.03700	0.7
211.13388	100.0
212.13731	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78819	0.8
65.26414	0.7
69.56909	2.0
95.34335	0.7
98.21741	0.7
138.92880	0.7
167.14461	1.0
180.77080	0.8
183.13908	14.0
193.12305	3.4
211.13388	100.0
212.13718	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Traumatin
Peak:m/z	Relative Intensity
51.67095	0.6
57.03435	1.3
59.01370	1.2
61.98808	1.4
65.16776	0.6
69.93237	1.7
71.01386	0.7
73.02939	1.1
83.05019	1.3
85.00426	11.2
93.02173	0.6
93.04519	0.6
95.01360	2.3
97.06562	0.7
98.03714	0.7
105.08896	0.6
121.02932	0.9
139.00386	0.9
139.11259	2.2
141.86815	3.3
142.87599	0.8
153.12868	6.0
155.14381	2.1
156.93924	0.7
159.87854	1.6
162.40611	0.6
165.12738	1.5
166.99992	0.8
167.10893	0.6
167.14394	4.0
181.12347	2.5
183.13889	100.0
184.14223	2.5
193.10822	0.6
193.12294	3.5
197.11606	0.7
211.13388	76.6
212.13731	2.6
229.14465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.91882	0.3
69.03432	0.5
69.11275	2.2
83.05011	0.4
106.82372	0.4
141.64024	0.4
147.29189	0.4
165.12776	0.4
167.10735	0.6
167.14407	1.0
183.13899	11.5
184.14471	0.3
189.65195	0.4
193.12360	3.4
211.13391	100.0
212.13757	3.4
224.48036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03446	0.2
61.40643	0.1
67.01888	2.3
69.03459	0.3
69.29018	0.8
76.15359	0.1
83.05023	0.6
85.00437	0.3
85.06586	0.4
95.01405	0.2
97.06583	0.5
98.22630	0.2
99.97440	0.1
100.49207	0.1
123.08161	0.3
125.09730	4.4
139.11235	0.1
141.86818	0.2
151.11346	0.3
156.93854	0.2
167.14397	3.1
175.11272	0.3
183.13927	0.9
193.12321	0.5
207.86452	0.1
210.91374	0.2
211.13391	100.0
212.13728	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.092
Annotation	(-)-Platyphyllide
Peak:m/z	Relative Intensity
50.36252	1.2
52.42987	1.3
59.01374	2.4
65.18734	1.3
69.43632	5.3
73.46230	1.2
79.83546	1.4
81.55733	1.4
98.22637	3.1
101.03964	45.8
123.05624	2.8
169.10223	39.2
169.12354	4.0
177.90276	2.7
183.13882	6.2
185.11781	1.4
195.13808	7.8
197.99332	1.6
202.35202	1.4
213.01656	1.6
213.09239	36.1
213.11328	2.8
213.14963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0921
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
56.25388	0.1
59.01365	0.6
64.78085	0.2
69.74877	0.4
85.02972	0.1
98.21886	0.2
123.05612	0.3
123.08133	0.3
125.09717	0.6
127.11306	0.2
139.11279	0.3
141.60069	0.1
145.02950	9.9
151.11281	0.2
155.10791	0.5
158.03722	8.8
167.10791	0.5
169.12360	0.2
171.04503	0.5
185.11789	1.4
190.02705	4.5
191.03014	0.2
195.08118	0.5
195.55728	0.1
197.06078	7.8
197.99144	0.2
198.06845	18.1
199.07210	0.5
211.07619	1.6
213.09201	100.0
214.09537	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
54.61671	0.4
56.83234	0.4
57.03442	3.6
58.00594	0.9
59.01376	3.0
65.33768	0.4
69.03460	0.8
71.05052	0.6
83.05013	1.4
85.02980	0.4
85.06606	1.5
87.00869	0.4
97.06611	0.7
109.06621	0.5
111.08147	2.0
120.29195	0.4
120.72862	0.4
123.08163	34.3
124.08541	0.8
125.09717	5.8
127.11290	1.9
137.09727	6.9
139.11288	60.1
140.11623	1.3
149.09749	0.9
151.11285	11.0
153.09239	1.2
155.10814	2.3
157.12286	0.6
167.10788	3.6
169.12357	6.2
185.11821	7.9
195.10269	0.9
213.11311	100.0
213.14787	3.0
214.11688	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03463	0.7
59.01412	1.2
68.17215	0.4
68.99856	1.7
69.45997	0.6
69.46386	1.1
71.01414	1.2
83.05064	1.1
97.02962	0.6
98.21945	0.7
101.06097	1.0
113.04256	0.5
123.05711	0.7
123.08137	0.6
125.09734	1.2
126.09244	0.4
127.11308	0.7
137.09654	0.4
139.11290	2.1
141.12872	1.6
145.02905	0.6
151.11282	1.8
155.10823	1.1
157.12405	0.5
167.10802	3.0
169.12355	7.2
169.52930	0.5
185.11827	83.6
186.12170	1.7
195.10258	14.1
197.06108	0.5
197.99202	2.8
198.06837	1.5
213.01506	1.8
213.09303	6.9
213.11305	100.0
214.11673	2.5
214.14529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
51.22515	0.3
56.23970	0.3
57.03440	0.3
59.74574	0.3
76.68864	0.3
95.46075	0.3
97.06592	0.7
98.22713	0.4
114.09637	0.3
149.14644	0.3
151.11290	13.3
152.11627	0.4
169.12337	100.0
170.12712	2.6
195.10332	0.7
199.20969	0.3
213.11317	14.9
213.14786	0.8
214.11732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95113	0.3
52.97838	0.3
57.03471	0.5
59.01399	0.3
61.78630	0.3
69.28728	1.1
72.35157	0.2
85.20903	0.3
97.06586	0.7
131.84520	0.3
151.11279	13.1
152.11607	0.4
169.12331	100.0
170.12674	2.8
195.10240	1.0
213.09247	1.5
213.11298	18.7
214.11595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1244
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
58.02973	100.0
59.01370	3.2
60.99142	1.1
61.98818	3.7
63.53361	1.2
69.90299	1.3
70.02959	2.7
70.94785	1.4
78.91896	1.2
79.41135	1.2
81.94765	1.3
87.61826	1.2
91.05424	1.4
96.00895	4.0
99.98381	1.3
122.35269	1.2
125.09695	2.3
125.87327	3.2
126.12888	17.4
128.17227	1.5
129.05533	1.6
131.04572	2.0
131.07138	1.4
151.07556	1.7
152.10832	8.5
152.98029	2.5
153.05536	1.4
168.91132	2.8
169.08629	1.7
169.13470	13.2
170.11862	7.5
177.90253	3.5
179.21095	1.2
196.09776	3.5
197.99097	1.6
213.06650	1.4
213.12691	7.4
213.14819	6.6
213.18578	3.7
226.03513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57796	0.4
61.58277	0.4
69.74241	1.2
89.65834	0.4
96.53383	0.4
111.61388	0.4
165.12584	0.4
172.65691	0.4
183.13884	24.4
184.14279	0.6
186.29417	0.4
186.90465	0.5
195.13893	21.1
196.14223	1.0
197.84642	0.5
211.13425	0.8
213.14949	100.0
214.15308	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
56.63417	0.5
64.00676	0.5
65.14130	0.5
70.22031	1.1
79.47954	0.5
117.39063	0.6
133.09160	0.6
167.14349	1.4
177.12897	0.7
183.13905	6.0
195.13889	15.7
211.13416	1.4
213.14960	100.0
214.15250	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.5
63.60164	1.8
65.00314	4.3
75.00864	2.9
84.99335	3.4
87.08098	2.0
99.00847	6.0
99.92588	2.5
103.01483	3.6
114.93429	2.9
116.92873	9.2
121.93140	1.9
122.89434	6.1
136.08354	2.3
144.00920	14.5
153.35916	2.1
156.97780	5.4
172.10358	1.9
197.85629	5.5
214.85983	3.0
215.00983	100.0
215.12752	2.5
220.77005	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1287
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
52.12917	0.5
57.03432	1.2
64.98231	0.5
92.03092	0.5
93.94942	0.5
105.79137	0.5
111.70212	0.5
118.41159	0.5
125.09678	0.8
127.96615	0.5
144.00868	3.4
153.12851	44.2
154.13159	1.2
171.01959	0.6
171.13878	1.1
172.05283	0.5
197.11833	54.8
198.12204	1.6
200.04811	5.6
215.00999	28.5
215.07141	19.9
215.12874	100.0
216.13243	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03450	0.6
58.66358	0.3
69.74368	1.1
71.01376	1.2
71.05009	0.5
72.02160	0.8
73.02937	1.1
78.84439	0.3
86.02339	0.3
94.17836	0.3
95.32838	0.3
97.06581	0.3
98.21902	0.5
125.09712	1.5
127.11327	2.8
141.12869	1.4
143.10805	0.8
144.00888	1.6
151.11281	0.6
153.12865	0.8
155.10748	1.8
158.03745	0.4
169.12346	1.1
171.10268	13.4
172.00328	0.3
179.10788	1.4
185.11794	2.0
197.11830	6.2
213.11322	4.6
215.00981	13.5
215.12872	100.0
216.01318	0.3
216.13228	2.7
237.59842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.165
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
58.85866	0.2
62.00395	0.2
68.54051	0.2
69.23741	0.2
69.52901	0.7
80.75262	0.2
81.49340	0.2
86.44067	0.2
95.88348	0.2
98.21855	0.4
144.00879	0.4
167.14404	0.3
169.15982	4.6
170.16348	0.2
197.15448	1.9
213.14938	0.8
215.00980	4.0
215.16508	100.0
216.16830	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0776
Annotation	2-HYDROXY-L-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.50646	0.8
59.01380	3.3
63.69715	0.6
66.17095	0.6
70.78193	0.9
72.00016	0.6
72.00907	8.5
74.02480	42.6
115.11812	0.7
130.06642	1.1
131.03784	3.5
132.04562	69.2
133.04959	1.5
144.04558	100.0
145.04942	1.3
157.05330	2.1
157.07671	3.9
158.06123	14.5
173.07260	1.0
175.08772	9.6
202.05081	2.6
219.07750	74.9
219.17406	1.0
220.08067	2.3
237.08794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.1
60.01674	0.5
61.98832	8.2
64.86185	0.6
73.02946	1.5
79.75048	0.5
83.01400	1.3
87.02728	1.9
92.05067	8.0
103.92043	2.3
104.28958	0.5
116.05115	0.6
118.99281	0.5
128.03502	1.0
131.05388	1.3
133.06935	100.0
134.04762	0.8
134.07214	1.5
136.04059	5.3
146.34489	0.6
148.07677	1.2
161.00336	2.5
161.04614	1.1
165.95674	0.6
174.01930	0.7
176.03706	0.6
176.07133	1.2
177.05533	0.8
179.01427	0.6
202.05157	0.7
219.94698	1.9
219.99809	0.7
220.06210	3.7
220.10080	6.9
221.02484	2.2
221.09338	1.1
233.43417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.34531	1.5
59.01378	100.0
69.03436	1.7
71.01382	22.8
71.44442	1.6
72.99304	2.1
73.02946	49.0
73.03567	2.0
75.00864	2.2
79.54150	1.3
83.01396	9.0
85.02940	7.1
89.02441	7.3
96.95999	3.0
101.02430	20.0
102.80669	1.8
106.99295	1.5
113.02442	17.2
124.41912	1.4
131.03508	6.2
161.00415	2.9
161.04486	3.0
177.70280	1.5
178.98524	1.6
199.15605	1.6
206.19458	1.5
221.02359	1.7
221.11734	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01378	1.1
63.82656	0.1
64.13151	0.1
68.27227	0.1
69.59081	0.2
73.02946	0.1
127.07642	0.1
130.44800	0.1
137.55240	0.1
148.05243	0.3
149.06081	0.5
151.07533	0.1
164.08420	1.9
165.09143	0.2
177.12958	0.1
178.98555	0.2
205.12321	1.5
206.12650	1.2
207.13855	0.2
220.12479	0.1
220.14677	3.4
221.15437	100.0
221.84232	0.1
222.15782	3.8
235.13356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42811	0.5
59.01380	100.0
60.01719	1.4
64.60372	0.6
69.61260	2.1
71.01384	4.0
73.02959	0.6
73.49643	0.5
82.18465	0.5
83.01393	0.6
85.02969	2.4
89.02444	3.5
101.02457	2.4
102.05612	1.3
110.02592	0.6
113.02471	1.5
117.05614	0.5
119.03504	0.8
121.03024	0.5
135.04872	1.1
146.04596	0.8
150.01913	0.5
151.02779	2.0
161.04552	0.7
166.05159	1.7
179.05621	1.3
180.06664	1.0
190.05228	0.7
207.91820	0.5
208.03717	0.8
222.07684	1.1
222.09853	0.7
223.02815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01382	100.0
60.01725	3.2
61.98838	1.4
64.95249	1.8
70.24148	1.4
71.01380	8.3
72.01753	1.3
72.99314	1.6
73.02965	2.8
74.03304	1.3
75.00896	1.0
83.01392	1.6
85.02962	7.2
87.00908	2.2
88.19509	0.6
89.02438	3.9
95.46040	0.7
98.21848	0.8
99.00893	1.0
101.02464	4.1
102.02810	1.1
108.10445	0.8
111.00957	0.7
113.02483	1.9
114.02802	1.0
119.03503	0.6
122.02549	1.3
123.76103	0.6
125.01361	0.6
134.04675	0.7
135.04895	2.4
137.82216	0.6
138.05591	0.8
138.22020	0.6
161.04581	1.2
162.04973	1.5
179.05685	0.7
191.01974	0.9
222.04541	1.0
222.07597	1.6
223.08278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0282
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01365	0.7
59.96716	1.4
60.70978	0.2
69.03458	0.3
69.44604	0.2
69.44941	0.6
74.99068	16.7
75.99024	0.2
82.22009	0.2
84.37782	0.2
90.80478	0.1
93.00136	4.7
93.84283	0.2
98.21857	0.3
118.96195	0.2
130.07442	0.1
141.01697	0.2
141.72339	0.1
149.00955	10.5
150.98915	0.8
153.78897	0.2
167.10738	0.5
170.90138	0.2
179.14429	0.4
195.13823	0.9
205.12392	0.6
206.99696	4.4
223.02823	100.0
223.13370	3.0
224.02864	4.7
225.00763	0.3
241.03854	1.3
242.41457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01383	8.1
61.98806	1.0
62.87403	0.9
69.85475	3.0
71.01371	1.5
77.51817	1.0
83.01130	1.0
85.02956	3.9
93.03453	12.6
101.02441	1.3
112.00045	0.9
121.02954	26.3
129.01953	2.0
135.04532	22.4
136.07652	3.7
137.02419	1.9
141.01689	1.6
149.02440	52.5
150.02721	1.2
151.04028	2.4
152.01160	12.0
163.00075	1.0
163.03976	17.6
164.04793	38.4
165.01942	11.8
165.05057	1.2
167.03470	1.9
169.01125	0.9
169.05061	4.6
179.03528	1.4
179.07033	15.1
179.08324	3.3
179.10670	1.5
180.07904	1.5
189.75607	1.0
193.01414	67.4
207.03018	1.1
208.03770	100.0
209.04083	3.0
223.02599	4.6
223.06110	66.1
223.13361	3.0
224.06526	1.8
226.73323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
61.55942	0.4
65.00328	1.0
66.48468	0.4
67.59113	0.4
69.03424	0.6
69.12868	2.1
74.08991	0.4
80.02677	0.5
90.90226	0.4
95.01398	0.7
96.02190	1.0
96.96010	6.0
97.02950	1.3
98.21857	1.0
123.00883	0.7
124.01657	14.2
125.06088	6.9
138.03250	0.4
139.03989	3.0
141.01654	0.5
145.88164	0.5
148.05223	0.5
152.01151	44.7
153.01497	0.7
162.06909	0.7
165.01906	3.5
166.02631	0.5
175.03957	0.5
178.99840	0.5
179.03461	1.2
179.10780	1.5
179.14345	0.8
180.04276	1.3
180.25006	0.5
190.06357	1.7
191.07147	1.2
193.01360	1.0
193.05028	1.5
195.13905	1.3
205.08653	4.7
205.12299	1.2
208.03676	1.5
208.07393	18.9
223.02702	1.3
223.09749	100.0
223.13115	16.4
224.10017	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03438	1.5
57.86908	0.2
59.01378	6.8
61.71549	0.2
69.03452	6.4
71.01370	0.7
71.05029	2.2
71.43166	0.2
80.02696	0.3
81.03456	0.4
83.05022	1.2
85.06596	1.2
93.03461	0.5
95.04994	1.0
97.06583	0.5
107.01405	0.2
107.08642	0.3
108.05804	0.9
109.06606	1.4
111.08154	0.4
123.08150	0.7
125.09705	0.9
127.07646	0.2
135.11783	0.9
141.09221	0.9
141.86836	0.4
147.08078	0.3
149.08713	0.3
149.09734	1.7
151.11223	0.4
153.09230	0.4
161.09769	0.2
161.13393	1.2
164.83627	1.5
167.10773	8.8
173.79497	0.2
176.83650	1.0
176.98303	0.3
177.12891	1.4
178.99886	0.2
179.10817	3.8
179.14406	10.6
180.14662	0.3
187.11343	0.4
193.12311	0.4
194.99252	0.3
195.13899	26.1
196.14352	0.9
205.12320	20.6
206.12639	0.7
208.03757	0.4
214.45944	0.2
220.82889	0.2
223.02852	0.7
223.13387	100.0
223.84955	0.2
224.13712	3.8
224.15793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.08607	1.0
57.03444	1.3
59.01377	5.9
68.12061	0.9
69.03449	5.6
69.86091	2.0
69.86451	2.0
71.05012	2.0
82.12196	0.9
83.05035	1.2
85.06594	2.1
104.95516	1.0
111.08139	1.3
111.43631	0.9
125.09734	1.4
141.09145	1.1
149.09677	1.6
155.17719	1.0
167.10793	9.6
177.12846	1.5
179.10799	2.2
179.14391	10.2
195.13902	27.3
205.12315	20.6
223.13385	100.0
224.13727	2.1
229.71416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.22061	0.3
57.03436	0.3
59.01377	100.0
60.01698	0.4
63.39915	0.3
71.05019	0.8
74.99052	0.4
87.00868	0.9
111.95262	0.3
147.98622	0.3
153.32599	0.3
161.13304	1.5
163.11276	0.7
165.01854	0.5
176.14360	0.3
177.12866	0.5
193.01360	0.6
208.03749	1.0
223.02812	2.3
223.06131	0.5
223.09814	0.7
223.13376	17.8
224.13739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.24771	0.7
59.01379	5.9
61.06508	0.6
68.99805	1.6
69.81525	0.7
71.43210	0.8
83.05052	0.9
86.30524	0.7
93.03436	3.6
97.02964	2.0
98.95587	1.0
101.02432	2.0
109.06598	1.2
110.03759	1.5
120.62187	0.7
126.90538	0.9
137.02490	1.9
163.11259	6.1
173.46097	0.8
174.50186	0.8
178.83356	0.9
181.12343	100.0
182.12682	2.7
197.12050	0.9
206.99458	0.7
207.10251	11.0
223.62303	0.8
225.00473	2.1
225.07823	1.1
225.11322	20.3
225.14774	4.1
226.11600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Stagonolide
Peak:m/z	Relative Intensity
59.01366	1.9
61.23873	0.4
64.37739	0.4
69.71019	1.5
71.05009	0.7
76.33673	0.4
79.12683	0.5
81.03468	0.6
83.05046	0.7
97.02959	9.7
99.00887	3.2
106.04238	0.5
109.06616	3.0
110.03747	5.9
111.04587	0.5
125.09761	1.1
135.00714	0.4
135.08151	1.7
136.05298	1.8
142.02725	1.2
142.73708	0.4
145.10237	1.0
161.09685	0.7
163.11314	11.8
179.10725	1.2
181.12350	28.3
182.12675	1.0
197.11835	1.5
198.20512	0.4
198.22565	0.4
207.10266	67.7
208.10594	2.0
225.11328	100.0
226.11685	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	Chloriolide
Peak:m/z	Relative Intensity
52.97117	0.7
57.03413	0.7
59.01376	5.2
65.00323	1.3
68.30080	0.8
68.99808	1.0
69.72619	2.7
73.02954	1.5
80.02647	0.9
81.03455	1.4
83.05034	1.0
84.02157	1.1
93.03448	3.3
97.02945	8.1
99.00906	1.7
101.02428	2.0
101.82256	0.7
109.06590	19.0
110.03719	6.8
121.06587	1.6
123.04551	1.0
131.80229	0.7
135.08191	2.8
136.05353	1.9
142.02684	1.1
145.10321	0.9
161.09709	2.1
163.11285	15.2
165.09048	0.8
178.83394	1.3
181.12332	13.0
181.15981	0.9
189.09261	1.1
207.10260	72.3
208.10561	1.8
225.00383	1.0
225.11322	100.0
225.14952	5.3
226.11642	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24877	0.5
51.36380	0.5
57.40179	0.5
59.01379	100.0
60.01727	0.7
69.14768	1.0
69.15171	2.0
81.03438	0.8
95.05049	0.6
97.06574	4.5
135.08176	2.1
147.08171	2.7
150.03230	1.0
151.11250	0.7
165.09232	1.8
181.12300	0.7
225.11327	30.0
226.11641	1.3
226.52528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40773	0.4
58.13914	0.4
59.01381	2.9
63.32810	0.5
69.42503	0.5
69.75799	1.2
69.76157	1.0
80.44107	0.4
83.05015	1.2
97.06604	0.5
98.21851	0.7
118.29257	0.6
163.14948	0.9
181.12350	1.6
181.16010	0.8
189.12758	0.6
191.24513	0.6
195.13911	8.2
197.15514	3.7
199.66861	0.4
207.13899	23.6
208.14284	0.7
225.14955	100.0
226.15338	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36615	1.3
59.01371	8.0
59.33517	1.4
65.00345	1.5
68.99802	5.0
69.17648	2.2
69.18046	5.6
72.33334	1.3
83.05035	1.8
84.51527	1.6
93.03436	3.2
97.02964	2.0
98.21896	3.6
100.18414	1.7
101.02421	7.9
103.84860	1.5
109.06574	2.8
123.32063	1.5
132.12688	1.3
136.98766	2.2
137.02449	3.3
163.11301	5.0
172.44167	1.6
178.83392	1.7
181.12305	3.7
189.09204	1.8
195.13855	10.1
197.15450	3.7
207.10323	11.5
207.13892	43.8
224.90425	2.1
225.07770	1.8
225.11470	28.3
225.14940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
52.56633	0.4
59.01377	1.9
68.99814	1.1
69.94696	1.1
70.51501	0.4
80.05069	0.5
81.03455	12.1
81.53164	0.4
82.06621	0.7
83.05023	74.8
84.05367	0.6
85.95999	0.4
88.23195	0.3
93.03448	1.5
94.17754	0.4
96.96010	1.5
98.22536	0.5
98.37205	0.4
101.02438	1.8
107.06152	0.4
108.04543	0.8
121.92236	0.5
123.04485	0.5
125.07195	2.9
137.09637	0.5
143.08269	1.9
145.08685	0.8
149.02368	0.5
163.07648	0.5
179.05658	0.4
181.05035	0.6
195.03011	0.9
195.06525	0.5
207.15022	9.8
210.05350	0.8
225.04369	2.0
225.07594	1.1
225.16074	100.0
226.16396	3.0
246.34183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33403	3.0
54.39020	2.9
57.03444	8.1
59.01376	10.3
59.18757	3.6
61.98834	6.8
62.60115	3.4
63.11966	3.1
67.01883	7.2
68.99812	6.2
71.01379	28.9
72.99310	5.6
73.02951	8.1
77.51564	2.8
82.03001	3.8
83.01383	11.1
85.02960	12.7
87.00877	3.5
96.96002	3.8
99.00877	79.4
101.02441	10.6
106.81001	4.0
111.00869	37.9
112.98807	100.0
113.03540	4.0
116.07144	3.8
117.00433	3.8
127.03988	11.2
129.01959	26.0
131.02022	3.4
139.07625	4.0
140.07066	4.3
142.99870	8.2
147.06613	5.8
160.27625	3.4
168.01518	5.2
173.00916	31.6
173.03000	7.9
183.11464	9.5
191.01949	9.7
204.19031	3.2
210.02586	6.5
219.05988	3.3
226.99643	10.8
227.10321	10.0
227.16731	3.9
227.20164	24.1
228.03554	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03452	2.1
57.35728	0.9
59.01375	1.8
61.70319	1.0
65.00332	1.5
67.01895	2.0
68.99828	1.9
70.58519	1.2
70.58851	1.8
74.02486	1.1
80.02690	1.7
81.03449	2.0
83.01392	1.5
83.05028	7.5
84.02168	4.2
95.01387	2.8
95.05036	1.6
98.21890	1.3
99.00875	1.4
101.02401	1.3
105.81023	1.2
111.00891	3.6
111.04536	1.9
139.00368	3.0
139.11301	4.8
153.14044	1.1
154.93962	1.0
163.11284	4.3
165.12846	3.9
181.12335	1.4
183.10168	1.0
183.13889	4.7
190.00494	1.1
191.10880	1.4
209.11829	100.0
210.12158	3.3
227.09122	1.2
227.12820	7.6
227.16426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
58.00589	6.5
59.01348	0.8
67.01866	0.4
68.99789	0.3
69.03422	0.4
69.24440	1.0
71.01364	0.6
71.04990	0.5
73.02940	1.1
81.07066	0.3
83.05019	0.4
84.02172	1.2
97.06561	0.4
99.14137	0.2
101.02418	0.5
111.08162	0.3
127.03981	0.7
137.09702	0.6
147.11815	0.2
151.11258	0.6
153.05548	0.4
153.09189	0.4
153.12857	1.8
155.10721	0.2
155.14424	1.8
163.11305	1.2
165.12842	3.2
169.12334	1.4
171.13869	2.2
179.10794	0.3
181.12347	2.6
183.13908	2.2
191.10757	1.2
197.15462	0.3
199.13382	47.4
200.13707	1.1
209.11827	10.5
210.12227	0.2
225.11276	0.2
227.12885	100.0
227.16257	15.9
228.13191	2.5
228.16847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.2
59.01376	0.3
66.55311	0.3
69.34119	1.1
69.51690	0.3
71.05020	0.3
80.02679	1.9
81.03451	1.6
83.01366	0.5
83.05027	7.5
84.02161	3.3
93.28519	0.2
95.05053	1.2
97.06576	0.5
98.21832	0.3
110.51199	0.2
112.28589	0.3
125.06042	0.5
125.09697	0.4
126.43967	0.2
127.11277	0.3
128.18806	0.3
135.08171	1.1
153.12912	0.3
155.14441	0.2
158.29608	0.2
163.11282	4.9
163.12512	0.5
164.11565	0.3
165.12852	4.1
181.12360	1.4
191.10829	1.6
195.01767	0.2
199.13335	1.2
209.11824	100.0
210.12151	2.3
227.12895	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.22681	0.6
58.00585	1.0
59.01371	1.0
60.05468	0.5
67.25763	0.5
70.04285	0.5
70.98244	0.8
76.99079	0.6
80.02667	1.6
81.03442	2.3
83.01385	0.7
83.05025	7.5
84.02167	3.3
84.88129	0.6
90.05287	0.5
95.05018	0.9
125.06042	1.1
125.09754	0.7
135.08150	1.2
163.11247	5.2
165.12865	3.4
181.12341	1.5
183.13899	0.6
191.10738	1.8
199.13377	6.9
209.11821	100.0
210.12135	2.9
227.12880	18.2
228.13187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.96743	0.4
55.01850	0.5
70.96870	0.7
78.17428	0.5
80.02677	2.5
81.03452	1.7
83.05031	6.8
84.02179	2.9
95.05010	1.1
110.45993	0.4
111.08147	0.5
125.06055	0.5
135.08144	0.8
163.11275	6.0
165.12842	3.5
181.12369	0.7
191.10652	1.1
209.11830	100.0
210.12155	4.3
227.12912	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36859	0.6
58.00589	10.0
59.01367	1.2
59.33439	0.5
69.03465	0.6
71.01377	0.7
73.02956	0.9
81.80112	0.5
83.05012	1.9
84.02160	1.6
95.15203	0.5
107.41986	0.5
111.08108	0.8
112.21664	0.5
125.09795	0.5
137.09694	0.9
139.29033	0.6
153.12799	1.6
155.14406	1.9
159.16219	0.5
163.11264	2.3
165.12860	3.9
169.12341	1.5
171.13890	2.0
176.31148	0.5
181.12340	3.5
183.13857	1.3
191.10764	1.6
197.95563	0.6
199.13385	50.4
200.13750	1.8
209.09814	1.0
209.11815	20.4
227.12880	100.0
228.13217	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.83419	0.9
69.30788	0.9
69.40979	3.6
82.85453	0.9
107.59204	0.9
111.08162	1.2
165.12825	18.2
183.13882	100.0
184.14264	3.6
209.11815	2.1
227.12863	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58665	0.4
68.85896	0.4
69.93488	0.8
69.93818	0.8
71.05019	0.5
80.02666	1.8
81.03442	1.6
83.01398	0.6
83.05027	7.8
84.02177	3.4
95.05028	1.1
98.22005	0.6
109.06604	0.4
110.68703	0.3
125.06068	1.0
125.09706	0.4
135.08141	1.0
137.65604	0.4
152.04718	0.4
163.11290	6.2
165.12845	3.8
181.12352	1.2
191.10786	1.6
199.13437	1.4
209.11833	100.0
210.12154	2.8
221.96796	0.4
227.12860	6.0
232.55066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
54.09846	0.4
57.03432	1.8
59.01374	1.3
62.37329	0.4
63.57626	0.4
67.01893	0.8
68.99834	0.5
69.60997	1.4
71.05003	0.7
80.02673	0.6
81.03437	0.8
83.05020	3.1
84.02131	1.1
92.12540	0.4
95.05015	0.6
96.80999	0.5
97.06592	2.0
101.02452	1.4
111.00897	0.5
111.08143	4.3
115.80384	0.5
127.03994	1.4
131.87387	0.4
135.08156	0.8
138.19405	0.4
141.12900	0.6
154.39928	0.4
154.56316	0.4
163.11276	2.3
165.12836	26.0
166.13126	1.0
169.12338	1.6
171.04588	0.5
181.12370	1.3
183.13901	27.8
183.35605	0.5
184.14214	1.1
191.10710	0.6
199.13403	5.7
209.11826	44.6
210.12166	1.5
227.12883	100.0
228.13223	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01360	0.3
60.10853	0.2
69.03445	0.3
69.10410	1.2
69.10822	0.5
74.02829	0.3
83.05022	0.2
111.08144	1.0
111.71558	0.2
119.69220	0.3
127.04015	0.3
143.87219	0.3
146.62030	0.3
153.79710	0.2
158.55736	0.2
165.12839	19.2
166.13145	0.8
167.10805	0.2
181.12416	0.3
183.13887	100.0
184.14235	3.1
191.10918	0.2
199.13344	0.5
207.05424	0.3
209.11797	3.7
227.12881	21.1
228.13148	0.6
231.37393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1652
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
58.00589	4.9
58.52772	0.4
59.01384	0.9
67.01891	1.4
68.99809	0.9
69.03476	0.4
69.59128	1.5
69.63263	0.3
71.05020	0.4
73.02945	0.8
81.07111	2.3
83.05040	1.0
84.02184	1.8
97.06561	0.8
101.02453	2.4
101.03021	0.4
111.08141	0.5
125.09743	0.6
127.03999	2.1
137.09792	0.4
139.11333	0.9
153.05585	1.9
153.12891	1.5
155.14415	1.2
163.11317	1.2
165.12856	3.0
169.12357	0.6
171.13907	2.0
179.10884	0.5
179.14510	0.5
180.83095	0.5
181.12389	2.8
181.15906	0.5
183.13896	4.3
191.10777	0.8
196.74806	0.5
197.15491	1.4
199.13383	30.8
200.13721	1.0
208.93481	0.9
209.11842	14.8
209.13699	0.8
209.15215	2.4
210.12222	0.6
225.15053	1.4
227.09315	1.4
227.12952	66.9
227.16489	100.0
228.13290	2.1
228.16850	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24757	0.4
57.03489	0.6
58.03014	0.8
58.03837	0.5
58.04149	8.7
59.01429	2.3
67.01934	0.5
68.99863	0.7
69.03487	0.5
72.97112	0.4
75.48833	0.4
76.24223	0.4
80.02721	0.9
81.03484	0.8
83.05034	2.9
83.06204	1.8
84.02242	1.4
85.07769	0.5
95.05076	0.7
96.93095	0.4
97.06620	0.5
101.02506	1.7
112.08813	7.4
114.09245	39.3
115.09573	0.4
120.11401	0.5
127.04066	1.6
129.10330	0.6
135.08186	0.6
156.13922	1.3
161.71761	0.4
163.11295	1.9
165.09225	0.9
165.12868	2.0
168.13974	3.6
171.33994	0.4
179.80841	0.4
181.12320	0.7
183.10268	1.8
185.16592	100.0
186.16962	3.0
191.10777	0.8
209.11830	41.2
210.12144	1.3
210.14258	0.6
210.16139	9.3
211.13448	0.5
227.09189	1.7
227.12880	10.8
227.16785	1.0
227.18718	21.0
228.15987	4.7
228.19075	0.9
229.15407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98827	0.8
67.60006	0.2
69.62734	0.8
71.01370	0.6
72.00892	0.9
73.02944	0.8
82.06645	0.3
83.35645	0.2
84.08176	0.4
87.00864	0.3
98.22591	0.3
110.02480	0.3
112.04044	0.3
117.00460	1.3
128.07184	1.8
129.04086	0.6
130.08739	100.0
131.09105	1.4
138.25012	0.3
168.01527	0.8
168.99968	0.4
185.06531	0.3
210.02603	0.9
211.04694	0.3
227.20129	0.3
227.97766	2.1
227.99893	0.3
228.03696	1.1
228.07068	0.6
228.20363	0.3
229.05731	0.3
245.98871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23704	0.7
56.37358	0.7
59.01378	2.0
67.38760	0.8
67.91250	0.7
71.01389	7.3
71.41829	0.9
72.99282	1.0
75.00848	0.8
83.05000	0.8
85.08749	0.7
88.04039	100.0
91.83881	0.8
95.05024	0.9
96.99313	1.0
112.07698	2.3
113.06081	6.8
114.01968	6.6
114.05630	1.5
115.00381	14.4
127.04019	1.0
132.03027	91.1
133.03333	1.0
166.13223	0.9
168.14653	0.8
184.09785	2.1
210.12154	10.1
228.08763	20.7
228.12439	1.0
228.15904	1.1
229.09747	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1604
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
59.01365	0.4
83.05050	0.3
84.04536	0.4
89.37941	0.3
97.06579	0.4
101.02431	0.4
114.43712	0.3
125.09733	0.8
127.11274	2.8
166.82385	0.4
167.14394	0.4
171.10284	2.9
183.13841	0.8
186.01939	0.4
209.11826	0.7
210.12219	3.0
210.14978	11.7
211.15369	0.5
226.14404	0.5
228.16026	100.0
229.02666	0.4
229.10793	0.8
229.16368	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.3
66.03481	1.5
67.64038	0.3
70.66110	0.3
102.03515	0.3
130.08716	0.3
133.04057	0.3
141.03775	0.4
141.09250	0.2
142.34477	0.2
143.11874	0.4
145.04057	0.6
159.05638	11.7
160.05969	0.2
171.05617	1.1
173.03555	0.9
182.04831	0.9
183.05627	30.8
184.05984	0.7
185.07193	100.0
186.07579	2.3
188.64064	0.3
199.05153	3.0
200.05930	1.9
204.40341	0.2
211.12422	0.3
213.27911	0.2
229.02580	0.6
229.06122	4.0
229.10764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0868
Annotation	Diorcinol
Peak:m/z	Relative Intensity
59.01374	0.8
62.00428	0.3
63.97223	0.4
71.43590	0.3
79.05527	3.7
80.14074	0.3
81.03453	2.4
103.01521	0.4
105.03457	5.3
122.02931	0.5
122.03704	2.8
123.04519	55.1
124.04829	0.7
134.43358	0.4
147.04527	4.7
159.08104	0.4
161.09644	0.6
170.07303	0.5
172.05281	0.4
183.13835	0.4
185.09715	1.5
187.07626	6.3
211.13470	0.7
229.08673	100.0
229.14456	7.7
230.09000	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03448	3.7
59.01372	1.5
69.03458	1.4
69.87635	1.4
72.99308	0.5
75.00876	0.6
83.05021	0.5
97.06585	0.6
98.21902	0.5
109.33968	0.4
111.08121	0.5
113.09665	0.4
123.08178	0.9
125.09715	3.8
127.11269	1.8
139.11296	1.3
141.12848	4.0
149.09697	0.5
155.10760	1.2
157.12341	0.8
167.10765	4.4
171.10307	0.8
185.11826	100.0
186.12144	3.8
201.11320	2.2
211.13377	2.4
229.02463	1.3
229.10799	19.2
229.14435	17.2
230.14777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03438	1.7
59.01374	2.3
67.65699	0.6
70.50834	1.1
71.05014	1.5
83.31386	0.6
87.36217	0.8
88.46650	0.7
96.96003	1.4
97.06593	1.6
125.06080	1.7
125.09726	4.6
127.11275	4.3
131.72337	0.7
135.08156	1.0
139.14967	0.6
142.53842	0.7
155.14305	1.5
167.14400	1.3
183.13846	2.8
185.11809	11.2
201.11212	1.4
202.89973	0.7
209.11842	2.2
211.07765	1.2
211.10162	1.1
211.13405	31.4
212.13759	1.4
229.02585	1.8
229.14423	100.0
230.14812	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.84707	0.1
56.93107	0.1
57.03444	0.2
58.00586	1.4
59.01376	0.5
70.67339	0.2
71.01400	0.2
73.02944	0.1
98.60753	0.1
103.01502	0.2
139.11221	0.1
153.12852	1.7
155.14417	5.5
156.14787	0.1
165.12872	0.3
167.14378	0.7
169.12376	0.1
171.13910	0.1
181.12260	0.2
183.13893	6.9
184.14246	0.2
185.15411	0.4
193.12364	0.4
199.13391	4.2
200.13728	0.1
209.11977	0.2
211.13396	5.5
212.13731	0.2
227.10629	0.2
227.12883	3.2
228.13289	0.1
229.14433	100.0
230.14764	3.2
237.99463	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.74556	0.3
57.03449	0.6
61.73428	0.3
70.01561	0.6
70.01921	0.5
85.08160	0.3
98.22563	0.4
105.90507	0.3
139.11298	0.4
165.12883	1.0
167.14404	36.0
168.14795	0.7
185.15469	0.7
211.13390	58.5
212.13739	1.9
229.14430	100.0
230.14801	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03456	1.0
65.36343	0.2
67.56361	0.2
69.34601	0.2
71.01396	0.2
71.05007	0.2
73.87528	0.2
83.05031	0.6
84.02174	0.4
84.33189	0.2
85.02958	0.6
91.30499	0.2
97.06584	0.3
101.48331	0.2
117.73147	0.2
119.89654	0.2
125.09741	2.2
127.11292	3.5
155.14415	1.1
163.11269	0.3
165.12799	0.7
167.14391	2.0
171.10289	3.6
173.76889	0.2
183.13879	1.6
193.12320	0.7
209.11807	2.7
211.13406	10.0
212.13777	0.2
219.35085	0.2
229.14447	100.0
230.14793	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.98479	0.2
63.16866	0.2
71.05019	1.0
71.08565	0.3
72.66650	0.2
83.05034	0.3
84.02171	0.7
85.02944	0.7
97.06591	0.6
100.96981	0.2
103.46671	0.2
123.08151	0.3
125.09711	4.4
127.11291	4.3
130.87405	0.2
153.12851	0.2
155.14418	2.6
156.54251	0.2
165.12849	0.7
167.14407	1.6
171.10303	0.4
183.13878	0.7
185.15413	0.3
197.28168	0.2
209.11829	1.5
211.13380	4.1
227.12933	0.3
229.14426	100.0
230.14751	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03454	1.0
63.52287	0.8
69.31944	2.7
83.05045	0.7
90.63515	0.7
95.44775	0.6
125.09727	2.3
127.11295	4.3
155.14424	1.6
167.14384	1.4
171.10268	2.8
183.13870	4.0
185.11835	20.0
185.13422	1.4
193.12433	1.2
199.13510	0.9
209.11894	3.1
211.13402	55.7
212.13777	1.6
229.14447	100.0
230.14801	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.98975	1.2
55.10348	1.1
59.01116	2.0
59.01380	24.2
64.01624	1.3
65.74133	1.0
70.50723	2.1
99.92595	2.3
103.01485	13.9
115.92002	1.2
116.26360	1.1
116.92879	1.5
117.88406	1.1
132.47714	1.1
145.87318	1.0
156.89388	1.5
167.14418	30.3
167.87094	1.7
211.13400	39.6
212.13799	2.0
229.02507	3.3
229.14430	100.0
230.14818	3.8
233.98251	1.3
238.47617	1.2
249.95041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1557
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
59.01376	1.9
69.92121	2.6
71.01367	1.6
74.85837	0.9
87.00890	1.1
97.02989	0.9
98.21988	1.1
99.92583	2.0
113.37044	0.9
115.08768	2.8
116.92870	2.1
130.08746	34.7
158.14146	0.8
185.16606	29.0
186.17062	1.0
214.85005	0.9
229.02567	3.6
229.10832	3.7
229.15582	100.0
230.15836	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
59.01379	31.3
59.52155	0.4
62.12540	0.4
69.41914	1.6
72.94318	0.4
75.00877	0.7
82.43676	0.4
93.73532	0.4
95.27664	0.4
96.96014	8.3
97.98354	0.4
125.09678	0.6
127.11298	1.9
137.13115	0.4
151.11299	3.8
155.10822	0.5
169.12338	26.7
171.10266	100.0
172.10611	2.7
185.11806	1.8
213.11310	10.2
231.12357	57.7
232.12718	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01369	0.3
69.72865	0.8
77.95430	0.2
96.06424	0.2
96.96013	5.7
98.22524	0.3
139.11298	0.6
141.12852	3.3
155.14421	1.1
159.04439	0.3
171.54207	0.2
174.03142	1.2
183.13911	3.3
185.11830	8.0
195.13936	0.6
197.06021	0.7
199.13373	1.1
211.13396	2.9
213.09204	2.8
213.11133	0.5
213.14990	3.7
231.16006	100.0
232.16284	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03445	1.1
96.96013	0.7
125.09705	0.3
126.21947	0.2
127.11282	1.9
142.26224	0.2
155.14432	0.6
167.14439	0.4
171.10262	4.0
180.87608	0.2
183.13913	0.6
185.11823	0.2
185.15482	0.3
195.13953	0.6
213.14964	3.9
229.14447	2.9
231.16003	100.0
232.16328	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.9
64.28257	0.4
69.62405	1.3
71.01387	0.6
71.05016	25.9
71.68790	0.4
72.00922	0.6
73.02947	2.9
75.00858	0.5
83.06153	1.0
87.92512	0.5
93.03436	0.5
97.40143	0.4
98.21935	0.8
99.04518	7.6
100.34545	0.4
112.91209	0.4
116.07182	3.4
120.04574	0.8
129.05580	1.4
139.97942	0.4
146.08229	100.0
147.08568	1.6
167.69473	0.4
173.04594	0.4
188.98569	0.7
191.11888	10.2
204.97765	0.5
216.11485	0.5
232.12068	1.9
232.15509	0.4
232.97453	0.8
233.06203	0.7
233.15707	6.1
248.47345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.8
67.02993	0.7
70.84509	0.4
71.01385	0.7
72.00911	3.6
74.35349	0.4
75.00876	0.9
81.55254	0.3
90.29898	0.4
93.03448	1.0
96.91981	0.4
96.96037	0.6
104.03558	0.6
128.95126	0.6
131.03755	1.4
132.04514	1.2
144.04573	2.2
145.00858	1.2
146.02473	4.2
147.03259	100.0
148.03587	1.8
153.06702	0.7
159.03249	7.4
160.04036	15.8
161.00307	0.5
162.05589	1.8
171.05641	1.0
172.04028	5.6
173.04793	11.0
188.98488	2.6
189.06688	38.7
190.07065	0.9
190.98657	0.4
232.97214	2.1
233.05666	7.6
233.10413	3.5
233.15451	17.5
233.97266	0.4
234.15889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59802	0.3
59.01379	0.7
59.96717	0.6
60.97508	0.5
69.03458	0.3
69.84980	0.7
69.85321	0.3
71.32441	0.3
74.99067	6.7
83.05063	0.4
91.02200	0.8
93.00129	1.8
93.03439	0.3
93.81593	0.4
98.22006	0.6
106.04249	0.4
107.95456	0.3
108.02204	0.4
118.96284	1.0
125.63637	0.3
134.99399	6.0
136.97302	1.8
143.05341	0.8
149.00955	62.8
150.00974	1.5
150.98889	0.7
159.08452	1.9
161.06355	3.1
205.15942	0.9
215.05635	1.2
215.09102	0.4
215.14502	1.0
217.07205	87.7
218.07394	3.0
233.10335	100.0
233.15392	25.1
234.10460	5.1
234.15718	0.9
235.08221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1408
Annotation	Benzoylagmatine
Peak:m/z	Relative Intensity
54.21447	0.3
54.53448	0.4
58.04097	4.8
59.01380	21.8
69.31755	1.4
71.14629	0.3
83.06149	9.7
85.07714	5.5
93.03455	0.8
98.21947	0.6
98.22616	0.8
104.15848	0.3
110.76411	0.4
120.04556	11.3
120.99648	0.5
129.06628	0.3
147.03264	0.4
153.53162	0.3
160.03949	0.5
173.04556	0.9
174.09245	0.9
188.98558	2.4
190.95219	0.4
191.11897	100.0
192.12265	3.1
208.47340	0.4
216.11406	4.2
232.97491	1.6
233.10336	0.7
233.13635	15.9
233.15735	5.6
234.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
69.29202	1.1
96.18219	0.2
103.43357	0.2
162.89293	0.3
179.07141	0.5
204.15208	0.5
207.13824	0.4
218.11867	1.3
219.12610	1.5
234.14970	100.0
235.15315	3.3
251.11674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1339
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
54.67764	0.5
59.01379	100.0
65.03963	1.2
68.77084	0.5
70.67184	1.3
83.05029	0.8
83.68726	0.6
88.38150	0.6
91.65775	0.5
91.79182	0.5
95.05050	1.4
97.06616	0.7
106.04152	0.5
109.06599	0.6
125.09760	0.8
147.04411	0.6
147.08095	0.8
149.09692	1.7
155.65688	0.5
163.11285	30.0
164.11588	0.7
170.53946	0.6
189.12921	0.8
191.14410	14.8
202.16426	0.7
207.13739	0.8
217.12329	3.5
235.13383	47.8
236.13695	1.6
246.77943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
53.99561	0.1
59.01377	4.1
69.26137	0.1
69.64559	0.3
71.01392	0.3
72.44650	0.1
81.03416	0.1
83.05022	0.7
97.06602	0.2
98.22588	0.2
143.93283	0.1
152.83582	0.1
163.14941	0.6
164.25108	0.1
166.42262	0.1
180.79832	0.1
186.18048	0.1
191.18042	2.3
192.11697	0.1
211.40195	0.1
215.14615	0.1
217.15988	1.3
219.13885	0.2
233.15495	1.1
235.17015	100.0
236.17355	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80049	0.1
57.00653	0.2
62.52290	0.1
70.47639	0.3
74.29340	0.2
94.12600	0.2
97.65328	0.1
103.49899	0.2
107.63731	0.2
134.03737	0.2
135.04500	0.2
136.05339	0.3
145.36964	0.1
148.05296	7.1
149.06055	0.5
149.09708	1.0
162.06874	0.3
175.07635	0.3
176.08339	0.4
176.69020	0.2
177.09203	36.0
178.09525	1.0
190.10020	1.8
191.10728	0.6
192.11552	29.2
192.42799	0.2
193.11974	1.1
201.09183	0.6
203.07152	0.6
212.77687	0.2
213.75314	0.2
217.08723	2.6
218.09457	7.0
221.08093	0.2
236.10522	100.0
237.10872	3.6
249.38545	0.2
249.86208	0.2
252.10120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0768
Annotation	Radicinol
Peak:m/z	Relative Intensity
59.01367	0.4
65.00328	1.2
69.33616	1.6
91.01887	0.4
92.02077	0.3
93.03421	0.4
95.05022	0.3
106.54379	0.3
107.05032	0.6
119.01384	2.7
121.02953	1.0
123.65371	0.4
123.88136	0.3
135.04512	0.9
136.01651	0.4
147.00885	14.1
148.01601	0.5
149.02426	1.3
151.04024	2.5
164.01115	1.7
175.00336	0.9
179.03493	39.7
180.03847	0.6
193.05054	0.6
194.08107	0.4
207.02979	100.0
208.03352	2.3
221.04604	1.7
222.05324	90.6
223.05704	2.7
237.07674	45.0
238.07982	1.8
244.51468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01377	1.0
69.60944	0.5
69.61288	0.1
73.02952	0.7
81.03466	0.3
83.05025	0.3
87.04525	0.5
88.41869	0.1
89.06083	1.2
93.03471	0.2
95.08668	1.3
96.96020	0.3
98.21943	0.3
99.00881	0.2
111.03335	0.1
112.61658	0.1
118.49696	0.1
121.02975	1.1
121.06600	13.4
122.06898	0.2
123.08176	0.3
137.09727	100.0
138.10077	2.1
149.06108	0.2
149.09648	0.2
150.11813	0.2
159.08138	0.4
163.11287	0.2
175.11287	2.4
193.05035	0.2
193.12337	1.0
205.00255	0.2
219.60524	0.1
237.07703	0.6
237.11334	5.9
237.15005	0.3
238.06898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
57.03171	1.5
57.03447	29.3
59.01384	6.5
60.22520	1.3
71.01344	1.1
76.76235	1.1
83.05026	3.3
96.96004	3.3
109.06601	1.2
121.02986	1.7
128.26964	1.3
135.80226	1.1
138.47643	1.0
140.57068	1.1
167.10754	2.5
177.12793	1.8
179.10771	4.6
193.15927	11.2
195.13882	3.3
237.11253	4.2
237.14935	100.0
238.15244	2.4
257.38245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
57.03448	0.9
59.01379	16.7
69.55214	2.1
69.55570	0.7
75.19282	0.5
80.02668	1.6
81.03455	4.9
83.49730	0.5
85.02932	0.7
87.04523	0.5
87.83249	0.5
93.03550	0.5
104.70996	0.5
109.06555	1.0
121.02971	0.8
122.03722	2.4
123.08166	5.9
125.09733	10.8
135.08136	0.7
137.09700	2.2
149.06085	0.6
149.09738	3.5
153.66676	0.5
163.07639	0.5
163.11253	1.7
165.12833	8.6
169.08707	1.1
173.52170	0.5
178.09892	1.5
179.10774	19.4
180.07985	0.7
187.77322	0.5
191.14447	1.4
191.49286	0.5
193.16005	2.3
219.13882	1.4
222.05261	0.6
237.14948	100.0
238.15242	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03169	1.0
57.03444	17.8
59.01379	4.3
61.98798	0.5
69.03422	0.6
69.18221	2.7
70.54129	0.4
83.05011	3.3
86.87659	0.5
98.22604	0.9
101.02428	1.2
109.06560	1.5
116.92857	0.6
123.08115	0.5
140.87929	0.5
141.09201	0.5
149.09720	0.5
149.92323	0.5
154.90509	0.5
167.10820	2.6
177.12831	0.9
179.10789	3.2
179.12309	0.6
193.15976	2.6
195.13899	4.4
195.91920	0.6
219.13931	0.8
237.14952	100.0
238.15286	4.4
249.31503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1449
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
52.03895	1.0
59.01377	9.7
65.43227	1.4
66.03496	1.2
69.03454	2.5
71.01369	4.8
72.02162	7.8
82.06642	5.8
83.03754	2.6
83.05051	1.4
84.02163	5.1
84.04527	3.9
84.08179	3.4
85.02944	1.7
86.06125	7.4
92.05066	1.5
94.06641	2.1
95.05065	1.6
96.04554	87.9
97.02983	1.2
97.05353	1.8
97.06590	26.3
98.02457	1.7
106.66375	1.3
107.05013	4.9
109.06568	2.2
110.03735	1.3
110.06075	7.4
111.08150	4.9
112.07687	69.1
123.08147	4.5
125.06085	100.0
126.06430	1.2
141.09229	28.4
149.08408	1.4
150.05565	2.7
150.09259	1.8
151.69574	1.2
161.04683	1.9
164.10774	5.0
165.99071	3.7
168.06656	7.5
168.10263	2.5
169.07529	1.9
171.10216	1.2
179.05635	6.0
202.12436	2.9
209.00917	4.1
220.13416	6.2
221.11925	1.4
224.03252	6.5
234.83099	1.3
238.14453	15.6
239.05203	1.9
239.07288	2.8
239.10590	1.8
239.12885	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96078	0.5
59.01377	100.0
60.01719	0.5
61.98815	0.5
69.60477	1.7
71.01399	2.0
73.02955	0.8
78.95924	2.0
85.02962	1.2
87.00870	4.0
89.02438	1.0
96.96036	0.9
99.00897	0.8
101.02460	0.5
108.74929	0.5
117.01964	1.0
125.02435	0.6
134.96089	1.2
136.93999	3.7
139.28360	0.4
146.05658	0.5
149.00134	2.1
159.03094	0.6
161.04564	4.1
178.94965	8.2
179.01144	0.6
179.05605	19.8
182.77985	0.5
189.77242	0.5
223.02750	3.3
238.96553	0.5
239.02966	1.1
239.05342	0.9
239.07484	0.9
239.10266	0.8
240.09889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11868	0.1
59.01382	1.4
59.96717	0.9
67.94233	0.1
74.99069	11.6
75.96199	0.2
78.64624	0.1
83.05015	0.3
85.02952	0.7
87.00861	0.1
91.02208	10.3
92.02161	0.2
93.00132	4.4
98.22647	0.2
101.66791	0.1
149.00943	5.0
150.98868	0.2
160.84166	0.1
161.04486	0.2
179.05609	1.2
195.13858	0.7
206.97806	0.2
206.99687	2.8
221.11784	0.4
223.02820	100.0
224.02867	4.5
225.00769	0.2
239.05893	0.9
239.12825	1.1
239.16608	0.2
241.03859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61060	1.4
59.01379	100.0
61.98835	7.6
69.22188	3.1
69.22592	5.5
71.01382	9.4
72.37106	1.5
72.99317	2.0
73.02931	2.0
85.02942	12.1
87.00873	17.2
89.02444	13.6
96.95991	1.7
99.00880	5.8
101.02459	4.4
113.02439	1.9
114.05577	1.5
117.01991	3.2
125.02511	3.4
130.76233	1.4
131.03481	3.8
134.04735	1.8
139.00148	2.2
141.01788	3.4
143.64709	1.4
154.97513	6.4
161.04559	13.6
165.04120	1.8
179.05611	67.2
221.06747	8.1
223.91988	1.4
239.05566	2.3
239.07744	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65879	1.9
58.99592	7.9
59.01074	4.9
59.01375	100.0
61.98825	27.3
69.03468	2.3
71.01376	21.7
72.99313	3.0
73.01170	4.3
73.02937	3.1
74.99061	2.6
80.96526	2.3
81.56779	2.0
83.01380	3.0
85.02940	14.9
87.00876	18.2
87.11698	2.3
89.02438	24.9
96.96001	3.7
99.00877	6.1
101.02431	10.7
112.17406	2.0
113.02421	4.4
117.01944	4.6
119.03526	2.8
125.02467	2.6
131.03514	6.2
133.03241	3.0
146.20776	2.1
151.04297	7.6
161.04565	12.9
179.05600	61.7
188.35596	2.2
207.04228	2.2
221.06648	15.1
223.02902	2.2
233.84587	2.3
238.37152	2.4
239.02354	2.7
239.05757	6.1
239.07729	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0925
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01378	100.0
69.06833	2.9
73.02962	0.4
81.03456	1.7
83.05049	0.7
85.02944	1.8
87.00891	1.1
93.03543	0.5
95.05035	1.8
96.96023	1.3
97.06589	3.3
109.02957	0.4
109.06584	3.1
122.23185	0.5
123.08128	0.6
133.10269	0.8
135.08142	2.7
138.48892	0.5
141.05592	8.9
151.11293	3.0
161.04524	1.5
177.05952	0.8
177.09244	3.1
179.05630	7.2
179.07114	1.0
187.78833	0.6
191.49030	0.5
195.10252	34.2
195.13921	1.6
196.10704	0.8
221.08168	1.7
223.02773	2.5
235.94200	0.5
239.09244	30.2
239.12918	1.2
240.09583	1.1
254.27921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.73311	0.2
54.25865	0.2
54.91311	0.2
59.01385	1.2
69.03464	0.5
80.99807	0.2
85.02993	0.3
95.05038	1.1
99.08167	0.3
100.00086	0.2
101.02457	0.2
101.06081	8.1
109.06589	4.9
111.08158	4.8
115.74606	0.2
116.92935	0.2
122.03759	0.6
125.09715	1.2
132.57925	0.2
135.11792	0.8
138.06876	2.9
139.04013	13.5
139.07574	0.3
151.11301	0.8
154.06358	32.3
155.06761	0.7
165.12871	0.3
167.14406	9.3
168.14732	0.2
174.50272	0.2
174.93674	0.2
179.05652	0.7
179.10771	4.8
180.11319	0.3
182.05872	3.1
185.15459	0.5
195.13892	100.0
196.14250	3.5
211.13402	0.4
223.02831	0.5
239.12872	9.3
239.16414	2.1
240.13368	0.3
248.58537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
69.54174	0.5
69.54561	0.7
83.05030	0.3
98.21922	0.5
104.67767	0.3
106.04276	0.3
122.98495	0.3
164.71107	0.3
177.11464	0.4
177.12778	2.1
179.05620	0.5
195.13887	100.0
196.14259	2.9
239.12924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.77611	0.8
59.01356	2.0
69.69104	2.6
80.98296	0.8
106.90174	0.8
107.74618	1.0
114.39300	0.7
125.30291	0.8
176.56499	0.8
177.12776	3.6
195.13901	100.0
196.14282	3.6
196.16026	1.0
204.63928	0.9
220.56123	0.8
239.12859	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Drummondol
Peak:m/z	Relative Intensity
51.64649	0.7
57.03443	4.9
59.01112	1.3
59.01379	12.6
65.03960	67.6
66.04288	1.2
67.01874	0.9
69.03456	1.0
69.13914	4.5
80.02676	1.9
81.03456	8.7
83.05022	29.7
85.02921	1.3
87.00867	2.8
95.05026	2.7
96.96008	14.0
98.22611	1.4
100.79269	0.8
109.06584	2.2
110.03711	3.5
111.04510	2.4
111.08154	67.0
112.08475	1.1
123.04528	0.9
149.09721	10.3
151.11281	5.1
159.11714	1.4
161.04555	1.6
171.10277	1.3
177.00542	1.0
177.09196	2.1
177.12822	1.5
179.05595	10.2
185.51447	0.8
193.12292	4.5
195.10255	100.0
196.10551	3.2
203.10823	1.2
221.11815	93.9
222.12059	3.4
223.02759	3.0
239.05670	1.9
239.10451	1.0
239.12840	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Drummondol
Peak:m/z	Relative Intensity
57.03450	1.1
59.01375	3.3
63.96026	0.3
69.78938	0.3
71.01387	1.4
72.99323	0.4
73.92419	0.3
87.00902	0.7
96.96028	0.6
99.85709	0.3
121.06583	5.8
122.81358	0.3
123.08172	0.6
134.97482	0.3
137.09720	91.1
138.10057	1.9
143.06076	0.3
149.09735	2.0
151.11305	1.3
161.04591	0.7
167.14400	1.3
175.11191	0.3
177.12840	0.4
179.05605	2.8
193.12312	0.6
219.10222	0.6
221.11778	0.8
223.02849	0.6
239.12874	100.0
240.13193	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1652
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.84930	0.7
59.01380	12.6
60.90292	0.7
69.49290	3.5
71.01367	1.0
74.99068	2.0
85.02919	1.2
87.00899	1.7
91.02216	1.6
93.00150	0.8
94.85524	0.8
102.29840	0.9
127.85648	0.8
128.10196	0.8
161.04498	2.0
177.16534	1.5
179.05609	10.8
183.13892	29.2
184.14220	0.8
189.87440	0.7
195.13889	3.7
209.15462	12.8
221.15459	59.3
222.15752	1.9
223.02826	17.5
224.02905	1.5
239.12637	2.7
239.16516	100.0
240.16800	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.03450	4.1
59.01378	11.5
59.46032	0.7
63.38910	0.7
69.92784	1.9
71.01398	0.8
87.00848	2.2
91.02185	0.7
95.23469	0.8
96.95999	1.1
97.06595	1.1
101.06071	1.3
103.15704	0.7
109.06601	1.1
111.08156	1.1
113.09724	14.5
123.08143	1.7
125.06047	1.3
139.04008	2.7
154.06400	4.0
159.77026	0.7
161.04572	1.7
167.14458	1.9
179.05620	7.7
179.10857	0.8
182.05856	1.2
193.15773	1.1
194.41028	0.7
195.13895	16.4
195.17513	4.8
211.17039	6.0
221.15469	4.0
223.02821	8.7
239.06769	2.9
239.12671	3.0
239.16521	100.0
240.16801	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2015
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
53.96283	0.6
54.53911	0.6
58.92081	0.6
59.01377	9.1
61.92054	0.6
68.99809	1.0
71.01367	0.9
71.44479	0.9
74.99075	0.9
75.00898	0.7
77.15129	0.7
79.01888	1.2
83.92877	0.6
85.02976	0.8
87.00874	0.9
91.02203	0.8
95.01379	1.5
95.05023	0.7
96.96003	1.0
99.00930	0.8
99.60695	0.7
107.01340	1.0
116.92949	0.7
123.00886	2.6
123.87375	0.8
133.22081	0.7
135.04485	0.8
139.04045	0.8
151.00323	1.3
151.07620	1.7
154.06342	2.4
157.43005	0.8
167.14413	1.4
179.05627	2.9
179.07014	0.7
187.37125	0.6
194.99234	1.0
195.13911	6.7
207.04036	6.3
209.06728	1.3
221.19054	0.9
223.02786	6.4
238.98351	1.3
239.06760	27.4
239.20154	100.0
240.07095	1.5
240.20445	4.1
244.49843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0829
Annotation	Thymidine
Peak:m/z	Relative Intensity
55.36419	3.6
59.01379	91.9
61.98843	16.8
66.36018	3.7
69.70426	11.4
74.72464	3.0
78.55201	3.4
78.95947	3.7
79.22381	3.8
95.05021	4.3
96.96000	7.1
98.21928	8.3
108.02197	4.5
125.03580	10.7
139.00366	4.7
151.05144	19.4
152.91795	5.8
162.78195	3.6
193.04979	4.1
196.98004	4.0
197.13062	3.7
216.52068	3.3
225.26703	3.6
226.06311	7.0
241.00233	6.8
241.08406	100.0
241.10791	5.3
241.12077	5.5
241.21667	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0871
Annotation	beta-Lapachone
Peak:m/z	Relative Intensity
54.45660	0.2
57.03457	0.2
59.01374	0.3
61.98819	0.3
67.47674	0.2
69.64596	0.4
69.64986	0.3
71.01389	0.7
85.20673	0.2
97.06577	0.3
113.72233	0.2
121.49724	0.2
125.09705	0.3
134.76999	0.2
134.89481	0.5
145.02942	0.5
151.11319	0.5
153.12839	0.4
158.03717	1.0
160.84283	0.3
163.11266	0.3
165.12817	1.3
173.02428	0.2
179.10771	1.2
181.12344	2.6
186.03218	72.2
187.03569	2.0
191.10750	1.1
195.08092	0.4
197.06108	0.6
197.15489	0.4
198.03262	0.6
198.06857	2.3
200.34438	0.2
205.06577	0.6
206.82364	0.4
208.05264	1.1
209.11844	3.0
213.09198	5.9
213.14873	1.5
218.02199	13.2
219.02625	0.4
222.06902	1.4
223.07634	3.3
225.05576	2.3
226.06357	4.8
227.06685	0.4
241.08693	100.0
241.18047	1.7
242.09016	4.3
255.06621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03448	5.9
59.01378	100.0
60.01711	0.7
64.41754	0.6
67.05537	1.8
70.37406	1.1
71.01353	0.5
71.05019	1.5
73.02947	1.9
78.21741	0.5
83.05037	1.2
87.00884	2.4
95.05072	0.6
97.06622	0.8
99.04514	3.6
119.08643	4.1
135.08176	1.7
135.11867	0.9
137.09724	8.8
151.11292	0.9
153.12827	1.1
157.02623	0.6
161.09654	0.9
163.07651	1.7
169.12334	11.4
174.21324	0.6
179.10764	5.3
181.08705	20.9
183.10435	0.5
195.10303	2.2
197.11826	47.0
198.12126	1.9
210.82510	0.5
223.09781	2.0
241.10797	26.5
241.14536	1.6
242.11243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.30209	0.4
57.03448	1.4
58.00602	0.6
59.01381	7.1
61.89112	0.5
69.03464	2.8
70.91415	0.5
71.01367	1.0
71.05015	3.7
71.27346	0.5
81.94910	0.5
83.05015	1.0
83.73366	0.5
87.00871	1.6
93.28998	0.6
97.06608	0.5
123.08190	1.2
125.09708	2.1
137.09711	0.9
137.95570	0.5
151.11282	1.2
153.12840	2.8
161.09738	1.0
169.12373	0.7
179.10759	5.1
181.08722	1.1
186.03233	2.9
197.11819	100.0
198.12166	2.9
213.14911	3.5
218.02165	0.7
223.07715	1.0
223.09743	6.7
223.13406	1.4
226.06364	1.5
241.08746	4.6
241.10814	62.0
241.14365	9.7
241.21634	0.9
242.11211	1.8
249.31688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03423	1.6
69.03449	3.6
69.28111	6.2
71.05047	5.9
71.05420	1.5
83.56632	1.2
87.04103	1.1
88.77207	1.0
113.32382	1.1
125.09738	2.9
125.18048	1.1
151.11284	1.2
153.12877	3.3
178.60754	1.2
179.10756	7.3
197.11836	100.0
198.12247	2.6
223.09706	3.3
241.10823	92.2
242.11118	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02932	1.7
59.01375	5.9
61.24379	0.6
61.98806	0.6
70.02970	3.9
71.05651	0.8
77.20345	0.5
82.02984	29.3
84.00882	0.9
84.04536	3.6
89.87324	0.5
96.04541	0.8
96.95936	0.6
98.22411	0.7
99.00842	0.8
101.87893	0.5
104.61119	0.6
109.04079	1.0
109.06553	1.6
110.02437	1.6
111.03251	1.7
111.64389	0.5
112.04045	10.0
114.05589	1.5
114.09207	2.3
121.06568	0.6
126.09228	2.0
127.05122	2.2
130.08739	8.0
135.08134	0.8
137.06076	0.9
141.10341	18.6
142.10678	0.6
153.09082	0.7
154.12335	1.6
161.02452	3.9
167.11900	0.7
168.09012	2.2
169.09802	2.0
169.13437	2.4
172.81644	0.5
179.10735	0.9
181.08614	0.6
186.28513	0.6
197.12956	93.1
198.13263	3.0
226.06273	1.6
229.13756	0.6
241.00334	1.2
241.11961	100.0
241.21768	2.0
242.12337	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96082	0.5
58.02969	1.3
59.01395	0.7
69.29477	2.9
70.02978	4.5
82.02984	22.4
82.06606	1.2
84.00917	0.8
84.04529	2.9
88.80357	0.5
96.04521	0.7
98.22601	1.2
99.00872	1.5
109.04063	0.9
111.03274	1.0
112.04047	7.3
114.09245	1.0
123.25594	0.5
126.09263	2.3
127.05125	4.3
130.08739	8.5
141.10349	16.7
147.69444	0.5
154.12410	1.1
167.11943	0.9
168.09035	1.8
169.09813	1.4
169.13441	2.0
180.10428	0.7
195.11380	0.7
197.12955	72.6
198.13199	1.3
226.06670	0.5
241.11937	100.0
242.12238	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Annuionone F
Peak:m/z	Relative Intensity
51.07396	0.5
57.03436	4.3
59.01375	1.8
61.80936	0.5
69.03465	0.7
70.37405	0.5
70.73499	1.0
71.05017	2.3
76.76382	0.5
77.19261	0.7
78.45179	0.6
81.03425	0.6
83.05018	0.9
85.06584	0.7
92.76509	0.6
97.06578	1.1
109.06556	0.7
111.08173	0.8
120.47916	0.6
123.08129	0.7
125.09705	1.9
177.12846	0.8
179.14406	29.7
179.31346	0.5
180.14694	1.0
195.13878	1.6
197.11739	1.0
197.15482	14.4
198.15714	0.7
205.12306	0.7
223.13383	29.8
224.13660	0.9
225.02342	1.0
226.06311	1.3
241.14447	100.0
242.14781	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1807
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
59.01394	0.9
60.08593	0.6
67.85384	0.8
70.74881	1.3
103.03149	0.7
110.90457	0.6
162.83867	0.8
165.12865	2.7
195.17552	1.2
197.15425	1.2
211.17020	2.6
222.91014	0.8
223.17032	9.0
226.06267	1.4
240.01198	0.8
241.08568	1.8
241.18080	100.0
241.79469	1.2
242.18472	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22274	0.7
59.01373	2.6
61.98828	100.0
69.47528	2.8
75.37534	0.7
80.46909	0.7
87.52624	0.9
95.96008	0.6
96.96042	1.4
109.70550	0.6
131.56815	0.7
168.03343	5.1
262.00226	0.7
264.22922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
59.01380	2.5
61.98838	11.4
66.03487	14.1
68.01412	2.8
71.01371	2.4
79.95741	4.3
82.02984	31.8
83.01391	1.6
84.04562	1.1
87.00873	5.5
87.31824	1.0
94.03005	2.1
96.04554	2.2
96.96003	1.3
99.00796	0.9
108.04554	2.4
109.01643	0.8
110.02479	100.0
110.06140	1.0
111.02022	8.2
111.02775	1.6
111.04550	0.9
117.01952	1.3
122.02483	7.6
124.04076	1.9
126.05589	1.0
127.05137	1.6
132.03008	1.1
140.03549	12.5
145.06161	3.7
152.03542	19.5
153.03049	14.2
182.04695	1.0
200.05646	42.4
201.06004	1.5
207.06644	1.5
217.73071	1.0
243.06241	37.6
243.08588	1.7
244.06606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
51.69621	0.6
51.72320	0.6
53.80404	0.6
55.01886	0.7
59.01374	0.9
66.03145	1.1
66.03484	14.9
68.01417	2.8
70.82081	0.9
71.01381	2.0
81.02162	0.6
82.02979	31.1
83.01389	1.2
84.04516	0.7
94.02981	2.4
95.38948	0.6
96.04575	1.6
108.04552	2.6
110.02474	100.0
110.29930	0.6
111.02002	7.0
111.02760	1.3
117.01923	1.1
120.04562	0.7
122.02489	8.2
124.04048	2.9
132.03041	2.0
138.01956	0.7
138.05659	0.7
140.03535	12.0
141.98769	0.6
151.80199	0.5
152.03534	20.1
153.03043	10.0
182.04599	1.0
200.05629	43.9
243.06189	33.9
243.08720	1.0
244.06673	1.3
255.82001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1026
Annotation	CHEBI:69074
Peak:m/z	Relative Intensity
51.73269	0.3
59.01366	1.0
61.79705	0.3
65.91662	0.3
69.27511	1.6
81.03465	0.4
81.37617	0.3
85.00452	0.7
89.82725	0.3
97.02966	0.3
100.00356	0.4
100.88183	0.3
103.53559	0.4
109.06588	2.0
110.02470	0.5
114.52642	0.3
116.92847	0.6
155.10748	0.4
156.05771	0.4
159.04485	0.4
163.11270	1.2
171.10303	0.6
172.05312	6.7
181.12343	0.8
183.08147	23.9
184.08908	6.9
187.07655	1.1
198.77771	0.4
199.11281	100.0
200.11627	4.2
201.05539	1.2
207.10260	3.1
211.13449	0.8
215.12796	0.5
225.11380	1.9
226.07288	0.4
243.10249	55.7
244.10579	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
58.00594	6.3
59.01383	49.3
67.01884	9.5
69.03439	5.0
69.48238	16.2
69.48615	8.9
71.01382	21.7
71.30482	4.3
73.02945	9.5
78.86165	3.9
80.02670	10.4
81.03452	23.7
83.05025	14.0
84.02149	11.3
85.00418	9.1
85.02965	8.1
93.03435	6.0
95.05013	8.7
97.02937	28.5
98.20969	4.4
98.21885	5.9
99.00871	8.1
99.04517	5.3
102.64101	3.9
109.06586	100.0
110.03727	20.4
111.00916	10.0
116.92919	4.7
121.06585	8.4
125.09727	14.2
127.11297	7.0
135.08142	24.0
136.05251	8.7
136.89186	6.8
142.02725	13.8
155.10767	16.2
156.40916	4.7
161.09717	16.5
163.11279	51.2
171.10266	17.4
177.58401	4.4
181.12411	22.6
183.10242	6.6
185.11833	15.7
189.33736	4.2
199.09738	44.9
207.10252	96.8
211.13287	4.8
215.12889	39.1
225.11296	59.9
243.12415	27.4
243.19704	9.4
243.79112	6.8
246.60184	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26378	0.7
52.72022	0.7
53.58593	0.6
61.71683	0.7
69.29755	3.2
71.05013	1.1
97.02949	1.5
99.00879	6.8
125.09716	1.9
132.87715	0.6
153.12924	1.2
155.14313	0.8
163.11287	2.9
169.12296	1.5
171.10092	0.7
181.12323	13.1
192.93425	0.7
197.11795	2.5
199.13393	37.8
200.13835	1.2
207.08464	0.5
207.10263	12.0
225.09109	1.5
225.11320	25.5
234.15913	0.7
243.12366	100.0
244.12659	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01874	0.5
57.03442	0.9
59.01365	1.6
64.56589	0.3
69.03436	0.4
69.14996	1.0
69.15390	1.3
69.24659	0.3
71.01381	1.0
71.05014	4.3
73.02938	0.5
79.07761	0.4
83.05032	1.4
85.45430	0.3
97.02942	7.0
97.06567	1.7
99.00877	19.7
109.06613	2.0
109.46037	0.4
110.03725	4.2
111.08165	0.4
121.06595	0.4
123.08147	0.9
125.09730	6.4
127.11294	0.9
129.93777	0.4
135.08168	1.5
136.05293	1.1
142.02701	0.6
145.10217	0.5
153.12827	1.1
155.10777	0.6
155.14435	2.2
161.09714	0.8
163.11290	10.6
168.70973	0.4
171.10249	2.7
179.10776	0.5
181.12337	24.7
183.10219	0.7
197.11838	1.7
199.13390	22.2
200.13670	0.5
207.10252	47.1
208.10602	1.7
215.12808	0.4
218.69374	0.4
221.11765	0.5
225.11308	82.8
226.11670	3.4
243.12347	100.0
244.12685	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03450	0.7
59.01375	4.8
69.30599	3.0
71.01370	1.0
71.05010	2.5
73.02934	0.9
83.04984	0.6
97.02947	2.5
97.06590	1.4
99.00872	10.5
100.01667	0.8
108.07806	0.5
109.06602	1.0
109.57444	0.6
110.03739	1.9
123.08213	0.6
125.09747	4.8
127.11318	3.2
139.11295	3.1
153.12825	0.9
155.14384	1.0
163.11267	4.6
171.10167	1.2
179.10788	0.7
181.12352	15.7
183.10248	3.4
197.11873	1.8
199.13388	41.3
200.13786	1.4
207.10257	26.9
208.10561	1.0
225.11320	54.8
226.11670	1.7
238.06639	0.6
243.12361	100.0
244.12727	2.4
249.05008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03431	1.5
58.00592	1.0
69.03468	0.8
70.06973	1.2
85.00417	0.7
92.15472	0.5
105.70390	0.5
139.11269	2.1
141.12895	0.7
147.73851	0.6
153.12805	0.8
155.14398	1.8
169.12378	1.7
181.12315	2.8
185.11765	0.7
197.11707	0.8
199.13390	100.0
200.13737	3.9
215.12868	1.9
225.11250	1.5
225.14970	1.2
243.12347	19.8
243.16005	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98344	0.5
57.16173	0.4
60.48880	0.5
69.03453	0.6
69.63902	2.1
73.99600	0.5
78.09926	0.5
80.15305	0.5
80.55254	0.5
81.88733	0.5
98.22600	1.2
102.20153	0.5
104.00775	0.5
111.08138	0.5
121.64215	0.5
167.14398	0.6
174.57060	0.4
183.13904	9.3
193.12314	1.5
211.13388	100.0
212.13756	3.1
226.34750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22845	0.6
69.03435	0.8
69.10519	0.5
70.50999	0.7
70.51321	0.6
83.05035	0.8
128.01538	0.5
156.30000	0.5
167.10857	0.5
167.14377	1.0
183.13898	9.4
183.15259	0.3
193.12392	2.9
210.04129	0.5
211.13390	100.0
212.13678	3.4
257.41013	0.5
258.31186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49571	0.4
57.03440	1.0
57.36502	0.4
57.95009	0.4
58.00623	0.4
59.01378	4.2
66.03492	0.4
68.99832	0.8
69.03452	0.4
69.32110	0.8
69.32516	1.6
71.05022	0.7
72.99306	0.8
73.02939	0.9
78.58150	0.4
82.06646	1.0
83.01392	0.5
83.05016	1.0
85.02961	1.0
87.04521	1.2
88.04026	0.7
95.05025	0.8
97.06559	0.5
99.04532	0.5
101.02444	6.1
112.07674	0.5
114.09248	1.1
119.08642	0.5
123.08170	0.5
125.06119	0.5
129.10339	3.7
130.08746	39.7
131.09108	0.7
137.09697	1.4
139.07597	0.5
145.01439	7.6
153.05548	0.5
155.10788	0.7
163.11311	1.3
181.12317	0.7
197.16710	0.5
199.09715	2.1
199.18164	22.4
200.18559	1.1
209.11909	0.7
225.11374	0.9
243.08934	2.3
243.12369	6.3
243.17140	100.0
244.17560	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0454
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
59.01376	0.8
69.67034	0.5
75.07693	0.1
98.22570	0.2
118.04264	0.3
119.05031	0.3
129.03458	0.5
131.05029	2.0
134.03760	0.2
145.06573	0.7
146.03735	0.6
147.04501	0.4
149.06081	0.6
157.02975	0.9
159.04524	0.9
161.02466	0.2
162.03247	0.3
163.07643	0.7
173.04578	0.3
173.06073	5.2
174.03212	4.7
175.04002	4.8
176.04248	0.2
185.02438	0.6
189.01947	0.6
199.13394	0.7
201.05594	0.2
202.02695	2.7
203.03485	1.8
217.05051	31.4
218.02342	0.2
218.05351	0.9
227.12975	0.2
245.04535	100.0
246.04863	4.0
264.33023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85424	1.0
57.03434	1.7
57.55891	1.1
58.00599	5.0
59.01376	30.2
71.01379	12.4
71.41566	1.2
72.02157	2.8
73.02940	2.7
74.02493	1.4
75.00898	1.3
75.28612	1.0
81.07099	2.4
83.05025	2.1
83.81149	1.1
85.02961	3.1
87.00869	18.4
89.02422	8.1
95.05048	2.3
97.06587	14.4
99.00926	1.4
99.04519	3.1
99.08160	10.7
101.02451	3.0
105.01895	2.3
107.05040	1.7
108.02152	3.0
109.06586	4.0
111.08115	1.3
112.01669	1.5
112.07664	1.4
113.03571	4.2
116.07146	1.0
125.06089	2.5
127.07648	100.0
128.07990	2.6
128.12013	1.0
128.12950	1.1
129.01952	2.9
129.09219	5.4
129.10233	2.3
130.08737	21.4
137.06079	6.9
139.07631	8.3
140.07162	2.7
141.10272	1.4
143.07138	1.4
147.02965	3.3
153.09200	1.1
155.07155	37.8
155.10576	1.0
157.08694	3.3
165.09169	1.2
167.07132	2.4
174.99202	2.0
183.11496	2.5
185.08194	4.2
210.07703	2.8
220.55171	1.0
227.10408	11.7
227.24931	1.1
245.04372	1.6
245.10207	12.1
245.12602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64795	0.6
57.03446	0.8
58.00582	1.5
58.97084	0.7
59.01395	0.7
69.52885	2.2
73.02964	0.7
77.14899	0.7
80.02689	1.1
81.03477	1.2
82.18533	0.6
83.05033	5.8
84.02195	3.1
111.08158	0.7
125.06072	0.8
125.09735	5.4
127.11300	9.0
135.08189	1.2
137.09773	1.6
138.50220	0.7
139.11298	1.3
155.10788	2.8
163.11322	4.1
165.09193	3.0
165.12863	2.6
171.10291	3.7
181.12372	0.8
183.10266	1.6
191.10741	1.5
199.09756	1.9
201.11334	89.7
201.90727	0.7
202.11766	3.0
209.11836	100.0
210.12112	3.4
227.12900	18.1
245.13943	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
54.49326	0.5
57.02126	0.5
57.03439	2.1
57.61498	0.5
69.13316	1.9
69.13729	1.1
71.05015	1.1
75.30791	0.4
83.05040	0.8
89.10394	0.6
96.65748	0.5
97.06597	1.5
99.00896	0.5
111.08157	3.6
125.09689	1.0
127.11304	0.6
151.49370	0.4
155.14355	2.3
155.22627	0.6
163.11302	0.9
165.12845	17.8
166.13252	0.8
181.12395	0.8
183.13890	19.5
184.14319	0.7
199.13361	1.1
201.14983	9.7
207.10197	0.7
209.09818	0.9
209.11812	16.8
225.11348	1.5
227.12877	46.0
228.13124	0.8
233.14951	0.6
234.34624	0.5
243.12440	0.7
245.13928	100.0
246.14320	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
59.01377	36.1
59.94337	0.4
69.33519	1.3
69.33911	0.6
141.12846	1.4
141.14011	0.4
146.03096	0.4
155.17146	0.4
163.19908	0.4
165.12836	4.1
166.05115	0.6
167.10730	0.5
183.13893	30.9
184.14217	0.8
185.11826	100.0
186.12172	3.4
199.13446	1.8
209.11821	1.2
212.75746	0.4
227.12906	12.2
245.13934	84.8
246.14275	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04226	0.4
58.00583	0.4
59.01374	2.0
71.43287	0.4
77.15910	0.5
83.05005	0.6
118.98110	0.6
141.12823	0.5
141.43410	0.4
151.11281	0.8
155.14462	0.9
165.12842	4.5
166.05106	1.3
169.12349	2.9
171.10255	0.5
181.12347	1.4
183.13889	25.3
184.14191	1.0
185.11847	0.7
199.13382	45.1
200.13753	1.9
201.14067	1.0
209.11810	4.4
213.11412	0.5
227.12878	9.1
229.18045	0.5
245.13921	100.0
246.14259	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94656	0.5
58.19006	0.5
59.01377	1.2
59.65152	0.5
67.78100	0.6
69.30342	1.1
69.30750	1.5
83.01395	0.7
83.05019	0.6
98.02475	1.4
98.22315	2.2
111.08164	3.6
128.05099	1.7
129.05850	2.9
129.79478	0.5
130.06628	58.1
131.03786	1.5
131.05048	6.1
131.07056	1.4
144.04546	3.2
146.06146	1.7
156.04631	1.0
158.06113	18.1
159.04477	0.6
160.04062	2.6
166.05923	0.6
173.08156	2.9
174.05609	100.0
175.05963	3.1
177.60844	0.5
202.05109	33.6
203.05418	0.8
203.97377	1.1
205.14835	0.6
246.01556	1.2
246.04070	19.7
247.11893	1.9
263.73077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98800	0.4
69.56425	1.5
72.00906	11.8
88.04016	0.4
91.05522	1.1
96.96926	0.6
99.92587	1.4
100.06660	0.3
103.05534	1.0
103.92057	0.4
108.02185	0.4
115.92042	0.5
121.02988	0.3
128.07956	0.7
130.08794	0.5
132.98251	0.4
147.04527	35.6
148.04874	1.1
164.07170	100.0
165.07503	2.7
174.01894	0.4
176.03551	1.4
186.95493	0.8
203.04549	0.5
203.97414	0.5
222.65564	0.4
246.07446	4.1
247.11435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.62734	0.1
53.40337	0.1
59.01381	0.1
67.08631	0.1
67.73737	0.1
88.08996	0.1
89.02425	0.1
121.02956	0.2
123.68169	0.1
174.99220	0.1
176.03526	0.1
179.06915	0.1
179.84091	0.1
186.95633	0.1
195.66093	0.1
204.15215	0.2
205.15932	0.3
216.12866	0.1
220.17044	1.0
231.13843	0.5
232.14502	0.1
242.94038	0.1
247.17014	100.0
248.17366	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51212	0.2
65.06113	0.2
65.07069	0.2
84.45441	0.2
86.02484	1.3
98.22659	0.7
113.09745	1.8
124.63916	0.2
159.08499	2.5
161.10063	100.0
162.10370	2.2
210.21169	0.2
211.91499	0.2
248.13257	11.2
249.13565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69105	0.3
59.01363	1.3
62.09581	0.4
66.42645	0.3
95.05038	0.4
105.73010	0.4
127.07626	1.0
141.09184	2.6
155.09483	0.3
155.10754	1.4
167.06860	0.9
169.08437	0.4
172.58183	0.3
179.10701	0.8
181.08496	2.9
181.12325	12.6
185.05769	0.3
187.07423	0.4
195.10112	0.7
199.07480	1.0
201.08952	4.8
203.10526	12.2
205.12216	0.5
217.08466	0.6
219.10007	0.6
221.11568	5.5
223.13136	20.8
224.13531	0.7
225.07326	0.5
227.54109	0.4
233.07860	1.7
235.09467	2.2
237.10913	0.4
241.14194	0.4
249.11069	100.0
249.15138	2.9
250.11386	3.4
250.14449	2.8
253.38200	0.4
255.57175	0.4
265.10498	1.5
267.12115	5.4
267.92490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1166
Annotation	CHEBI:83078
Peak:m/z	Relative Intensity
59.01377	1.8
64.09911	0.4
69.32207	2.2
73.07649	0.6
85.79189	0.6
87.00875	1.0
109.32726	0.5
113.09721	1.7
117.03429	0.5
159.08536	2.6
161.10063	100.0
162.10373	2.2
165.56581	0.5
172.19089	0.5
176.49876	0.5
205.15903	0.5
226.30896	0.5
248.97282	0.6
249.05823	2.5
249.11644	42.9
249.14825	3.4
250.12111	1.2
250.14445	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1344
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.31958	1.4
55.01881	8.2
57.03442	6.0
58.00585	1.4
58.80488	1.4
59.01381	86.0
59.32080	1.4
69.27346	6.0
69.27753	2.2
70.07946	1.2
70.41154	1.4
71.01385	69.5
72.36536	1.3
73.02948	37.0
81.09287	1.5
83.01382	16.3
85.02953	42.6
85.06600	2.7
86.00102	1.8
87.00883	4.3
87.08139	2.4
89.02448	8.2
95.01403	5.1
96.96018	5.1
97.02938	1.4
99.00875	11.6
101.02448	100.0
111.00882	2.8
113.02455	38.6
125.02517	3.1
129.01889	3.3
143.03456	4.5
145.87874	1.4
150.99525	1.6
159.03024	7.3
161.04555	24.8
165.95659	1.5
187.11334	2.7
190.47722	1.8
205.12369	2.1
207.96741	2.1
218.24973	1.3
248.97304	6.9
249.07910	11.2
249.11192	6.2
249.13435	37.6
250.14449	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
54.10673	1.3
54.23370	1.3
54.91466	1.4
59.01360	8.7
69.03453	32.2
69.96590	3.5
70.89508	1.6
83.04994	1.5
93.27235	1.4
95.05009	2.4
97.06547	2.6
107.08643	1.7
111.08161	2.0
134.07361	1.9
135.08160	1.6
149.13356	3.2
151.11266	1.5
167.10788	2.8
175.11301	1.7
179.10770	2.1
187.14922	3.7
193.12318	5.7
205.12318	7.7
205.15933	10.1
221.15469	16.3
221.17540	2.4
231.13892	31.9
249.14935	100.0
250.14912	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
58.02965	0.4
59.01385	2.9
69.54046	1.9
70.02961	0.7
71.01389	7.2
88.04040	81.5
89.04343	0.6
91.05534	4.8
98.22321	1.6
109.65967	0.5
114.01967	4.8
115.00375	13.4
121.02961	0.7
121.05022	0.5
130.94377	2.9
132.03027	100.0
133.03372	1.3
134.06105	2.4
135.04533	4.7
136.15086	0.5
136.20216	0.5
138.86691	0.4
145.96681	0.8
147.94640	0.6
165.95695	1.4
172.34390	0.5
188.07121	1.3
189.95668	1.0
200.12961	0.5
206.08171	2.9
207.96793	2.0
218.11917	0.6
232.06152	1.3
250.07210	25.3
250.14423	14.4
251.07591	0.9
251.14879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1035
Annotation	H-TYR-ALA-OH
Peak:m/z	Relative Intensity
59.01377	4.1
59.79415	0.5
70.76731	0.6
71.01381	4.2
73.02929	1.1
74.02483	0.9
82.02989	1.6
84.04549	3.8
85.02959	2.1
86.02469	0.7
92.05057	9.7
95.34080	0.5
97.70850	0.5
100.04055	0.6
101.02453	2.2
102.05605	28.7
103.05857	0.5
106.06647	0.9
113.02465	0.6
120.04553	18.4
122.06116	7.3
128.03537	100.0
129.03897	1.7
146.04593	35.0
159.09280	1.1
187.08760	1.1
233.09314	4.0
248.72237	0.5
251.10352	66.2
251.14676	1.8
252.10638	1.5
253.65178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49730	1.1
59.01374	2.8
59.81436	1.1
60.75554	1.2
67.16212	1.1
69.03436	2.2
70.11040	2.2
74.31016	1.2
91.01881	1.8
112.60650	1.4
119.01297	1.4
135.00897	1.7
141.51070	1.1
142.05473	1.3
143.91212	1.2
153.12801	1.5
163.00381	2.3
168.09450	1.1
168.99083	1.3
175.64117	1.2
183.94849	1.1
195.13898	8.7
207.13910	2.3
207.17590	5.9
223.17046	22.3
228.54622	1.2
233.15469	15.2
251.16574	100.0
252.16862	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
56.52003	0.4
57.03451	7.2
59.01369	0.8
69.03454	10.0
71.05024	4.0
83.05031	0.7
85.06584	1.8
98.03728	1.0
99.03905	0.9
99.04525	14.7
121.36761	0.5
142.43825	0.4
159.69511	0.5
165.59097	0.5
179.14389	0.9
181.12325	1.2
218.71457	0.6
251.16537	100.0
252.16896	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0513
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
58.26713	0.3
59.01373	1.8
64.75861	0.3
71.01378	6.0
88.04038	3.4
91.01895	1.7
93.03458	15.9
93.76202	0.3
100.48909	0.4
114.01931	0.4
115.00372	12.5
118.02988	13.7
119.03348	0.6
121.02980	1.2
121.42986	0.3
132.03020	3.3
135.04532	3.0
136.04039	100.0
137.02451	7.2
137.04349	1.7
139.41656	0.4
146.06117	1.6
162.05635	0.7
163.04004	1.7
164.07144	6.8
175.03989	1.1
190.05006	0.5
191.01746	0.7
208.06174	6.9
209.02771	5.9
209.06366	0.3
234.04053	2.3
247.56268	0.3
252.05113	31.6
253.05368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0717
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
50.58825	0.5
57.03446	0.7
59.01378	41.8
61.98901	0.4
69.16780	3.2
71.01379	0.8
85.29999	0.5
86.80346	0.5
92.02695	0.6
93.03454	3.0
96.95995	0.6
99.00869	0.5
101.02449	0.9
106.04247	7.7
107.47955	0.5
121.02970	7.4
130.04245	1.1
131.05026	26.4
137.02434	4.2
145.06616	0.8
146.08730	0.5
147.04517	1.2
147.08157	32.4
148.08482	0.9
149.06081	78.9
150.06418	2.4
163.07675	0.7
173.05978	0.7
183.62915	0.5
191.07140	25.5
192.07497	0.8
193.05063	5.4
193.06844	0.6
209.08197	14.0
209.11667	0.5
210.08427	0.6
224.94968	0.5
235.06131	2.1
253.07166	100.0
254.07469	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24569	0.4
58.50490	0.4
59.01382	3.7
66.14801	0.4
69.98165	1.4
70.94747	0.4
73.02930	0.7
115.20531	0.5
119.01370	1.1
133.02921	0.5
135.00879	29.8
136.01312	0.7
147.00880	3.5
153.01913	1.2
154.19073	0.4
161.02428	0.9
162.03221	7.4
163.00365	11.7
164.01045	0.7
167.03511	0.7
177.05554	8.1
190.99849	53.9
192.00218	2.0
195.02960	6.4
209.04471	0.7
221.04530	1.3
223.02460	96.7
224.02859	2.7
231.46719	0.4
237.03987	2.4
238.04808	100.0
239.05139	3.2
253.07147	73.6
254.07443	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01874	3.3
57.03447	1.8
58.00595	0.9
59.01377	100.0
60.01695	0.6
61.98830	1.5
67.77844	0.4
68.89303	0.5
69.03439	0.5
69.81343	1.6
71.01378	52.8
72.99314	2.6
73.02945	7.5
75.00858	1.2
83.01393	5.7
85.02946	10.3
87.00880	5.9
89.02440	53.4
91.04017	1.7
94.22601	0.5
95.01391	3.5
97.02962	1.9
99.00888	1.4
101.02438	50.6
102.02771	0.7
113.02445	25.9
113.60663	0.5
114.05588	0.8
119.03495	13.5
125.02443	1.7
131.03482	2.5
136.98570	1.2
143.03499	4.7
149.04565	1.8
154.99615	1.5
160.90782	0.5
161.04552	23.8
179.05605	10.1
216.16426	0.5
253.09267	89.4
254.09682	3.0
256.75357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Russulanorol
Peak:m/z	Relative Intensity
55.11278	1.4
57.03431	4.8
58.40707	1.3
59.01377	21.0
67.01885	5.6
69.03456	7.3
69.26005	1.4
71.01395	2.4
71.05011	5.3
72.83289	1.6
73.02956	1.9
80.02680	3.1
81.03454	72.1
81.03941	3.6
83.05025	47.5
84.02169	6.1
95.05018	13.0
97.02950	14.3
97.06576	6.8
97.58890	1.9
98.03700	4.7
98.21846	2.5
99.04517	76.0
106.04244	2.0
109.06561	5.4
111.04502	14.8
113.06030	2.0
123.08161	2.1
125.09697	3.2
137.09737	4.2
137.93872	1.6
139.07620	2.3
152.81236	1.5
153.09241	2.9
155.10776	4.5
163.11279	2.2
165.12833	2.4
171.10266	35.9
173.13121	1.6
191.14395	14.6
193.12331	42.0
207.13892	6.6
209.11798	6.8
209.15501	3.8
211.13356	3.7
217.12331	2.4
225.15102	1.7
235.13379	100.0
236.13750	3.6
236.72528	1.5
253.14421	95.6
254.14691	3.8
254.91035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Russulanorol
Peak:m/z	Relative Intensity
57.03433	3.8
59.01376	20.0
65.42955	1.1
67.01884	5.2
69.03443	7.9
70.99674	1.8
71.01365	3.0
71.05020	6.3
71.15262	1.1
73.02904	1.2
78.80122	1.1
80.02680	1.9
81.03455	63.8
83.01395	2.0
83.05023	49.3
84.02158	4.5
84.23832	1.3
86.80739	1.1
95.01402	2.1
95.05038	12.2
96.02165	1.9
96.10822	1.2
97.02952	13.4
97.06580	7.1
98.03726	3.7
99.04517	80.4
100.04884	1.7
101.06079	8.0
107.05039	2.0
108.02154	1.4
109.02945	1.1
109.06609	6.4
110.03741	1.2
111.00903	1.8
111.04517	14.6
111.08112	1.4
113.02464	1.1
120.78790	1.3
121.02902	1.5
123.04479	1.7
123.08119	1.4
125.09733	2.8
127.07634	1.5
135.08159	1.7
137.09683	2.5
145.81953	1.1
151.07607	5.3
153.09171	3.2
153.10437	1.3
155.10774	4.8
163.11266	1.9
165.12939	2.3
171.10257	35.9
175.11316	1.7
191.14377	16.4
193.12328	45.3
194.12753	1.9
196.07402	2.2
207.13885	8.3
209.10040	1.3
209.11864	5.5
209.15465	8.9
211.13376	2.2
217.12338	2.7
219.19803	1.2
225.14966	10.4
235.13383	100.0
236.13644	5.9
253.14429	89.1
254.14799	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
57.03465	1.3
59.01379	13.7
63.50506	1.2
67.01892	5.2
69.03448	2.9
71.01383	2.3
71.05028	4.2
81.03452	9.6
83.05039	4.1
84.14143	1.1
85.02977	1.6
96.75006	1.1
97.06609	1.6
99.04514	35.9
101.02429	1.2
113.06094	2.1
125.09692	8.2
137.09726	1.9
139.50824	1.2
153.09236	1.5
155.10762	1.4
171.10260	23.3
183.17610	1.5
185.11829	25.3
191.14458	6.2
207.13840	1.8
209.15465	100.0
210.15813	4.6
217.85136	1.4
225.14912	12.9
235.13371	12.9
253.14430	33.9
253.21646	1.6
254.14709	2.4
266.52866	1.2
268.28030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
50.43930	2.5
56.52003	2.4
57.03456	13.5
58.00596	4.4
59.01377	95.1
69.03453	8.2
70.26590	6.2
71.01369	10.1
73.02940	5.0
79.95753	16.3
79.96146	2.5
83.05026	8.7
91.67740	2.5
93.03455	4.8
93.07109	4.0
93.40033	2.8
95.05013	4.7
97.06602	16.0
98.22632	2.7
99.04520	4.1
109.06575	9.0
111.04552	2.8
111.08156	82.0
114.16236	2.6
120.08889	2.7
121.06583	8.3
123.08137	2.8
125.06067	5.5
127.07634	9.2
135.08171	11.9
137.06061	8.5
137.09734	4.6
139.07660	12.3
141.05577	97.7
143.07124	11.4
155.07149	21.9
155.10805	6.5
173.13321	16.6
191.14415	24.3
191.93372	3.0
193.07152	3.4
207.13907	10.2
209.11829	6.1
209.15466	5.9
211.13449	15.2
217.12329	4.0
225.14931	2.9
229.22755	3.1
235.13362	34.8
253.07455	8.3
253.14418	100.0
253.18008	10.4
253.21744	3.7
254.14778	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
57.03449	2.0
59.01371	10.6
65.03963	56.7
75.57595	1.0
80.02689	1.6
81.03484	6.0
81.48495	1.1
83.05031	15.8
95.05026	1.1
95.15216	1.0
97.06616	5.5
109.06639	1.1
110.03747	3.4
115.29603	1.0
123.08154	2.8
125.09722	42.8
126.10078	1.4
143.41066	1.2
150.83710	1.1
163.11279	4.0
165.12846	2.4
168.89091	1.0
177.89644	1.1
181.12259	1.7
189.88054	1.1
191.10858	1.1
207.13957	2.0
209.11833	77.1
210.12129	2.4
217.12230	1.8
235.13388	100.0
236.13718	4.3
244.24289	1.1
253.04871	2.1
253.09035	1.9
253.14450	8.7
253.21693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
57.03446	11.4
58.00619	3.9
58.16225	3.3
59.01375	100.0
66.82872	3.0
69.03463	11.4
71.01382	16.9
71.44382	3.6
73.02951	6.7
78.91750	2.9
80.38434	2.7
83.05029	10.9
83.82458	3.1
85.02985	3.8
89.02431	5.7
93.03465	3.9
95.05061	6.5
97.06599	18.1
101.02477	8.0
106.19918	3.1
107.01231	3.2
109.06616	11.9
111.08149	63.3
121.02953	5.2
121.10274	4.6
123.08175	4.6
125.06100	3.5
127.07648	9.5
133.03009	4.2
135.08139	14.1
137.02408	4.1
137.06090	6.5
137.09680	3.7
139.07674	12.1
141.05583	78.9
143.07132	12.0
149.09807	3.4
149.49808	3.0
155.07172	30.1
155.10828	3.6
163.11267	5.2
173.13344	8.9
189.13023	3.2
191.14394	20.8
193.07108	5.2
196.07359	3.3
207.13887	16.0
209.11974	3.7
209.15529	7.0
217.12323	4.5
223.02551	3.8
235.13348	31.1
238.05002	3.2
253.04810	4.2
253.09122	6.2
253.14458	81.3
253.21747	5.9
256.31000	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1809
Annotation	(+)-Epoxypuliglene
Peak:m/z	Relative Intensity
50.33105	0.8
59.01377	7.2
69.82904	2.4
83.05020	0.9
89.02409	0.9
125.09687	1.5
131.29019	0.9
171.10271	28.8
180.86037	0.8
191.18025	1.2
195.13925	4.4
209.15359	0.9
224.13228	0.8
235.17033	36.8
253.18082	100.0
254.18288	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.217
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01366	1.3
61.98827	0.6
70.03699	1.4
98.21941	0.9
101.02470	0.6
116.92838	0.6
121.02940	1.0
134.89455	0.8
136.98778	1.3
139.06993	0.5
203.57603	0.6
209.15431	0.6
217.84970	2.2
235.15054	0.5
252.99991	0.8
253.21722	100.0
254.21967	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
125.70339	14.7
253.21687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78124	0.5
51.06525	0.4
59.01379	4.0
63.99015	0.5
68.36488	0.5
68.99578	4.1
69.03449	1.0
69.47507	1.3
69.47890	1.1
72.99312	1.0
73.98838	0.5
75.76176	0.5
78.95892	0.8
94.02988	6.0
96.95979	0.8
97.20831	0.5
98.21826	0.9
99.98933	2.6
112.98582	3.7
113.02480	0.8
113.92326	0.5
114.05599	0.7
117.00488	2.5
119.58576	0.5
128.07155	1.9
130.08728	6.5
136.38976	0.5
141.99940	0.5
152.91768	2.9
154.99483	1.7
157.01044	0.8
159.01497	1.6
160.03960	0.6
161.01042	0.7
167.90494	0.8
169.03517	0.8
172.01039	1.7
194.92792	6.5
195.01619	0.5
210.06184	0.7
211.00974	0.8
211.05775	5.0
211.99213	1.1
212.93895	1.0
213.07327	10.3
214.07585	0.6
228.07298	4.0
230.08815	11.0
238.06844	1.4
255.08374	100.0
255.23293	37.4
256.08609	4.2
256.23566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0886
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
69.65305	0.6
73.98343	0.2
79.40772	0.2
110.41866	0.2
113.02414	0.3
127.63852	0.2
135.66429	0.2
144.08154	0.7
152.91768	0.2
157.07695	0.2
159.82414	0.2
169.06413	0.4
169.07689	0.2
184.08778	1.0
194.92786	0.5
196.07533	0.7
197.05936	6.3
211.09804	0.8
212.06235	0.4
212.08287	7.8
213.08589	0.3
222.01700	1.0
229.04997	0.2
237.04091	1.4
237.11409	0.3
240.06519	14.2
241.06821	0.6
255.08868	100.0
255.23270	9.9
256.09161	3.6
272.05457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32607	1.2
55.01858	1.8
55.08645	1.4
59.01365	5.4
67.01873	2.1
69.03457	3.7
69.38185	4.4
69.38570	3.0
71.04995	1.4
81.03445	2.7
83.01381	50.7
83.05023	7.9
97.06609	1.8
107.22044	1.3
109.06560	1.7
125.09720	5.0
137.09714	1.9
163.11261	2.2
165.12868	2.7
167.14421	2.9
169.12263	2.2
171.10269	36.9
175.11256	5.0
183.13826	5.7
193.12335	69.1
194.12595	2.6
211.13396	100.0
212.13733	4.0
237.11359	1.8
255.12369	44.5
255.15898	4.9
255.23233	16.2
256.12897	2.2
272.91672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16239	0.3
57.03437	0.9
59.01371	1.3
69.65824	0.9
69.66172	0.7
71.01365	0.5
71.05045	0.4
72.02164	1.6
97.38772	0.3
98.03754	0.6
101.49010	0.3
115.11237	0.3
154.55734	0.3
167.14417	4.7
183.13866	2.8
183.17439	0.4
193.15958	1.0
195.13904	8.9
209.15309	0.4
211.13342	0.9
211.16995	0.7
213.14964	0.5
219.13980	0.7
219.84500	5.7
237.14934	11.5
237.44913	0.4
238.15181	0.4
255.15996	100.0
255.23157	3.6
256.16327	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48203	0.7
57.03442	1.1
58.00594	7.9
59.01379	41.0
64.09955	0.7
69.03448	3.0
69.40141	0.7
71.01376	1.6
73.02949	15.3
80.58334	0.8
83.05002	1.0
83.26682	0.8
85.02927	0.9
87.00867	2.1
88.33645	0.8
95.05023	1.2
97.06589	3.8
109.06581	5.1
111.08158	5.8
120.05728	0.9
123.08163	7.9
126.95621	0.9
127.07659	39.2
136.85583	0.8
137.06085	0.8
139.07654	2.0
141.09242	8.0
143.69264	0.8
149.06085	0.9
152.91661	1.2
161.09735	2.4
163.07666	1.3
167.08679	1.8
175.14908	1.3
179.10803	2.1
185.08177	3.6
191.10770	1.2
193.12300	1.1
193.16026	2.7
194.92854	1.8
195.10216	1.1
211.13315	1.1
219.84491	2.7
223.09706	1.2
237.11304	1.0
237.14973	12.7
255.06892	8.2
255.12453	7.1
255.16031	100.0
255.23283	29.3
256.16339	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23318	0.6
52.94668	0.5
55.45158	0.6
57.03435	2.5
59.01375	3.0
69.84223	2.0
71.01378	1.5
72.02156	2.2
74.77345	0.7
80.47159	0.7
83.05022	0.9
111.08160	2.9
113.09689	0.8
129.09253	0.6
144.19568	0.6
152.91716	1.1
155.07172	1.6
167.14430	4.5
175.14975	1.7
180.07977	1.3
183.13875	2.9
193.15955	1.3
194.92839	1.9
195.13895	9.9
195.46613	0.8
198.08957	2.5
209.15364	1.1
211.13365	0.7
211.16948	1.5
213.14937	1.0
219.13931	1.1
219.84512	7.1
237.11316	1.2
237.14966	12.7
255.06564	3.1
255.16010	100.0
255.23241	19.1
256.13245	0.9
256.16354	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26796	0.7
57.03437	1.0
70.19122	0.9
70.19427	0.8
71.62299	0.6
122.04339	0.9
131.22282	0.6
138.38075	0.7
193.15973	29.2
194.16333	1.0
194.92792	1.6
211.17039	100.0
212.17366	3.8
219.84560	15.6
229.01501	0.8
237.15027	4.1
255.16017	56.0
255.23279	14.8
256.16360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2319
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
53.98242	0.3
59.01391	0.4
69.34567	0.8
69.34978	1.0
76.92621	0.3
80.97886	0.3
84.75298	0.3
95.01381	0.6
96.00932	0.4
104.36619	0.4
123.00894	0.5
140.35609	0.3
166.99841	0.4
193.35655	0.3
219.84575	1.7
255.06760	0.7
255.23296	100.0
256.23636	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0819
Annotation	Lunularic acid
Peak:m/z	Relative Intensity
51.68543	1.2
56.43108	1.3
59.01361	1.9
68.09790	1.7
69.12142	7.3
72.51046	1.3
81.66145	1.2
101.03964	51.1
112.39320	1.4
117.83941	1.4
129.07043	1.3
133.64865	1.5
135.45956	1.3
151.05411	1.7
169.10228	31.0
170.10548	1.7
213.09201	100.0
214.09570	3.4
219.52055	1.6
219.84558	8.6
220.84508	3.4
221.84209	18.2
225.14920	1.6
239.12692	1.4
256.23645	1.8
257.08279	2.1
257.11575	2.4
257.17606	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.0
59.09198	1.1
61.44883	1.0
71.43493	1.4
72.99307	1.3
83.05012	2.2
94.28484	1.1
94.56022	1.0
95.10648	1.0
101.02436	1.1
141.09254	1.2
153.12878	1.1
169.12344	8.1
179.10780	1.7
195.13885	36.5
196.14153	1.3
197.11819	100.0
198.12141	3.2
211.13525	1.3
213.15004	1.9
221.11835	1.7
239.12877	9.7
257.08319	2.2
257.13925	69.0
257.17401	2.4
257.23798	1.1
258.14252	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.2
58.89931	1.9
58.96525	2.0
59.01378	58.0
62.36056	1.9
69.03452	2.4
70.98172	2.0
71.01356	2.3
71.05020	23.5
71.44340	2.4
72.99308	4.4
78.12218	2.3
83.05032	6.5
97.02936	6.5
97.06584	16.5
99.00870	20.2
103.06094	2.5
109.06599	2.2
123.08183	9.9
125.09724	88.9
153.02969	1.8
153.09200	3.0
153.12857	2.7
163.11285	20.8
179.10776	6.3
181.12338	69.3
182.12595	2.8
195.13797	4.7
207.10263	38.7
211.13454	3.1
213.14990	3.9
225.11317	100.0
226.11595	2.0
239.12862	7.5
242.05972	2.6
257.13928	87.0
257.17371	13.6
264.09286	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1758
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
50.66287	0.2
52.59086	0.2
55.64970	0.2
57.03435	0.2
59.01359	0.3
69.72810	0.4
69.73217	0.4
70.51054	0.2
71.01373	0.4
72.02151	0.4
81.03474	0.2
94.68721	0.2
165.12845	0.2
167.14412	0.8
169.15997	1.4
183.17511	0.6
185.15448	0.5
195.13892	0.9
195.17503	0.4
197.15480	1.3
206.85905	0.2
211.16986	1.2
213.14948	8.5
214.15364	0.3
219.84543	2.0
220.84602	0.3
221.15439	0.7
221.84256	3.2
227.16522	1.5
229.18080	0.2
237.14984	0.4
239.16499	6.8
240.16814	0.3
254.24478	0.2
255.15985	4.0
256.16458	0.2
257.17569	100.0
257.94189	0.2
258.17883	4.6
273.19006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1758
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
57.03443	0.6
57.12477	0.3
59.01373	0.9
61.73700	0.3
70.66457	0.3
71.01350	0.4
72.02154	0.5
74.75040	0.3
83.05025	0.4
85.02979	0.3
95.42007	0.3
99.79195	0.3
106.16393	0.3
127.69424	0.3
139.11288	0.9
140.63704	0.3
148.45213	0.3
158.03680	0.4
167.14401	0.9
169.15971	1.0
175.06345	0.3
181.12454	0.4
181.69101	0.3
183.17534	0.9
185.15497	0.7
186.03239	0.5
187.03966	0.6
195.13873	1.1
195.17429	0.5
197.15434	1.3
211.16898	1.6
213.14963	8.8
214.15216	0.4
219.84511	2.2
220.84364	0.5
221.15466	0.9
221.84212	3.9
225.11366	0.4
227.16475	1.5
237.14897	0.5
239.16499	6.9
255.16003	3.7
257.08401	2.1
257.17566	100.0
257.94635	0.3
258.17902	3.9
258.66602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01380	3.3
64.71476	0.5
66.73254	0.5
71.01385	0.6
72.99313	1.9
73.02971	1.3
75.00870	4.5
85.02957	0.6
87.00874	100.0
87.27793	0.6
96.96018	2.7
97.06607	0.8
99.00865	1.1
120.59188	0.6
125.09692	0.7
127.11309	1.2
145.01407	1.5
169.12323	16.8
171.10274	9.7
179.07195	1.8
179.10786	0.8
185.11861	0.6
197.11836	15.0
198.15831	0.7
199.09758	5.1
201.11348	2.5
213.11264	0.7
215.12917	8.7
241.10828	22.7
242.11217	1.1
259.03055	1.2
259.11862	22.2
259.15689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42522	0.6
56.07619	0.7
56.67797	0.7
59.01376	3.5
62.20480	0.6
68.25692	0.7
68.78741	0.8
69.03452	2.3
71.01377	0.9
73.02929	1.8
73.08409	0.6
74.93881	0.6
75.00863	9.4
81.76344	0.8
83.05063	0.6
84.52678	0.7
87.00837	0.6
97.06592	0.9
125.09686	2.1
127.11295	1.3
137.09705	1.3
141.09233	0.8
149.09633	0.7
151.11302	1.3
153.09192	1.4
153.12854	1.8
155.10733	4.1
160.60110	0.7
161.09729	1.3
169.12329	12.6
171.10266	48.2
179.10667	3.2
181.08705	1.0
183.10266	2.7
195.62918	0.7
197.11816	100.0
198.12138	3.9
201.11290	1.9
213.11353	2.6
215.12849	13.6
216.13168	0.8
217.10927	0.7
217.13435	2.9
223.09761	4.5
241.10797	4.0
246.62665	0.7
259.09158	1.1
259.11819	17.5
259.15524	2.0
260.12222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.0
67.95512	0.5
69.03459	0.9
69.28495	3.1
72.99327	0.8
75.00875	1.3
81.11520	0.6
83.06178	1.1
85.07720	0.7
87.00913	0.9
98.01781	0.5
99.00893	0.7
122.03739	0.9
127.11292	1.1
141.09270	0.8
153.09215	1.2
153.12871	1.8
155.10780	5.3
166.24402	0.6
169.12332	10.6
171.10265	78.1
171.75714	0.7
172.10590	2.1
179.10812	0.7
183.10225	0.6
190.03873	0.6
197.11818	100.0
198.12167	3.1
199.09770	2.2
201.11313	0.6
213.11359	2.3
215.12814	0.6
217.10814	4.5
217.13441	9.1
241.10710	1.9
259.11609	14.6
259.15598	4.0
260.12424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15097	1.0
59.01368	3.7
59.33218	0.8
60.82009	0.8
70.06719	2.1
85.59364	0.9
88.51105	1.0
90.17542	1.0
95.54953	0.8
109.61198	1.0
125.40125	0.8
151.11230	1.4
169.12335	100.0
170.12628	2.9
171.10265	7.7
209.11839	3.9
213.11241	5.6
217.13530	1.9
231.12361	10.4
259.11862	1.8
259.15445	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
57.03432	0.6
59.01380	17.0
59.80106	0.7
69.03448	1.1
70.27436	1.3
71.01379	5.5
71.05020	5.8
72.99336	0.8
73.02947	8.8
75.00870	2.7
83.05023	3.3
85.06581	1.2
87.04476	0.9
95.05029	0.7
96.95982	0.9
96.98592	0.6
97.02936	1.3
97.06602	5.4
97.98111	0.6
98.22311	1.0
99.04526	2.8
99.23258	0.5
100.05292	0.9
101.06068	6.9
109.06567	0.9
113.02394	0.7
113.06097	5.6
115.04021	13.1
115.07630	1.8
120.01219	1.4
123.08167	0.8
125.06055	1.9
126.77921	0.6
130.08719	0.6
135.11766	1.9
137.09766	0.7
138.12849	0.7
139.71948	0.6
141.09213	1.0
145.01414	0.7
145.05045	4.3
151.11295	0.8
161.09718	0.7
169.12337	1.4
179.10744	5.9
181.08763	0.8
184.59546	0.6
185.08209	7.5
195.10266	2.1
197.11830	7.7
199.09773	1.2
209.59416	0.6
213.11346	1.1
215.12880	7.0
216.13258	0.8
223.09677	0.6
241.10805	10.5
259.11850	100.0
260.09750	0.7
260.12234	3.3
260.14774	0.8
273.53497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67644	0.5
69.52531	1.5
78.16241	0.5
90.41411	0.5
111.08151	1.2
165.12831	21.4
166.13190	0.6
183.13887	100.0
184.14230	3.8
197.15370	0.8
209.11842	1.3
227.12895	30.0
228.13222	1.3
239.76300	0.6
241.14487	2.4
259.15485	55.5
260.15808	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20037	0.6
52.42289	0.6
69.24871	1.4
69.25282	2.3
80.02667	2.0
81.03457	2.4
83.05019	6.1
84.02168	3.4
154.33179	0.6
163.11270	4.7
165.12836	3.1
181.12357	0.7
191.10857	1.5
209.11823	100.0
210.12212	4.4
227.12849	11.9
228.13557	0.9
246.31540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93657	0.4
57.03447	9.1
58.04089	2.5
59.01364	0.5
59.05004	0.5
67.01877	0.4
69.03452	24.9
69.66943	0.5
83.06142	5.9
83.75793	0.4
85.02944	1.2
85.07715	3.0
87.00903	0.7
87.04507	1.7
125.09730	0.8
127.11266	1.7
131.05022	4.9
146.06117	4.1
147.06487	0.5
153.09207	0.5
168.75800	0.5
171.10262	50.3
172.10576	1.4
176.44493	0.4
200.10721	0.6
201.11346	1.2
217.13446	53.8
218.13757	1.5
237.07756	0.5
241.14465	0.7
242.12973	3.9
259.15503	100.0
260.15829	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
58.02967	1.8
59.01380	2.7
60.55856	0.5
61.31258	0.4
70.02977	1.3
71.01356	0.6
71.05009	0.5
72.00900	1.1
72.04527	0.6
72.99301	0.5
73.02937	1.0
74.02472	6.2
75.00861	1.4
79.95714	0.6
82.02983	8.8
84.00903	0.6
84.04539	5.4
85.02946	1.0
85.04910	0.4
85.06583	2.2
86.02477	2.3
96.04581	0.6
96.96017	1.8
97.06606	0.6
98.02503	0.9
99.04527	0.7
99.05630	1.4
101.07178	2.8
109.04081	1.5
110.02425	0.9
112.04036	4.0
112.07728	0.4
113.06052	0.7
114.05582	1.8
115.04010	1.3
116.07185	1.6
125.03567	0.9
126.05586	1.0
127.05123	8.3
128.03539	34.0
128.10805	2.0
129.10368	0.9
130.08745	5.2
130.12376	0.5
135.04529	4.7
137.07190	0.9
139.08832	0.5
143.11899	6.0
151.81935	0.5
154.08731	0.5
154.12358	1.0
155.08247	5.9
157.09818	1.9
158.08241	1.0
170.11879	1.4
172.13457	0.6
179.03493	5.1
182.11890	0.4
183.07724	4.0
184.13441	1.0
197.11714	0.8
197.16640	1.0
213.16057	1.0
215.10477	0.6
215.12967	0.6
215.17737	0.9
223.14481	7.3
229.11923	5.6
239.14003	3.3
241.15569	44.1
242.15813	1.7
258.99094	1.5
259.01361	0.6
259.11908	9.1
259.16602	100.0
260.17065	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01743	0.5
71.01404	0.5
71.41735	0.6
73.02962	0.6
78.95924	1.1
79.95699	0.6
82.02985	1.1
85.02981	0.5
96.96042	0.8
96.97003	1.4
100.04028	0.7
103.92035	0.6
115.89270	0.5
127.05155	1.0
128.03575	2.1
130.08743	18.4
156.79054	0.5
157.13478	0.9
171.15092	1.4
176.98238	0.7
179.03523	1.0
191.73622	0.5
197.12944	3.8
199.15689	1.2
221.84262	1.3
223.84116	0.8
241.11905	7.7
243.28290	0.6
259.01529	0.6
259.08282	1.0
259.13113	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0766
Annotation	Terrestrol C
Peak:m/z	Relative Intensity
50.78305	1.7
55.01846	1.9
57.03425	2.5
59.01366	7.1
69.03445	4.9
71.43071	1.9
80.96514	3.0
83.05022	20.5
85.02940	2.1
91.08939	2.1
93.03454	3.7
111.04522	41.6
112.04866	2.4
115.05505	5.3
119.05030	8.7
121.02959	22.6
130.04253	5.7
131.05040	20.7
134.94801	1.9
143.08652	4.5
145.02966	5.8
145.06573	10.6
147.04527	5.5
147.08151	22.9
148.01701	12.6
149.02438	5.9
155.08659	23.4
156.05797	23.4
157.06595	27.7
158.03755	57.9
159.04520	77.3
161.09731	7.1
171.08154	89.1
172.08473	4.6
173.02472	17.2
173.05997	3.0
173.09656	4.0
174.06863	32.3
175.07655	10.5
175.13179	2.2
181.05104	4.1
184.05310	4.5
189.09196	36.0
199.07645	47.9
202.06380	4.7
217.08725	5.6
233.08310	2.9
261.07687	100.0
261.15082	2.4
262.08026	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.113
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
59.01379	5.3
62.67890	0.4
81.20322	0.4
103.01460	2.5
107.05018	0.8
118.94259	0.5
121.02910	0.5
125.09733	0.5
125.23443	0.5
127.26891	0.4
133.02948	14.7
134.03746	8.7
134.89403	0.5
135.04523	86.5
136.04810	2.4
136.93925	0.4
137.02477	2.9
139.04004	0.8
148.05263	1.4
161.02432	23.9
174.99303	0.4
178.02727	0.7
179.03490	42.6
180.03796	0.9
185.09790	0.5
217.00243	0.9
217.12228	0.4
260.87256	0.8
261.11295	100.0
262.11661	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
56.90288	0.5
57.03450	3.0
59.01387	2.5
69.03452	0.6
70.98235	0.7
71.01373	1.1
72.99297	0.4
80.24687	0.4
83.05035	0.7
91.03996	0.9
95.05029	0.5
97.06586	11.5
110.02460	1.5
123.08163	5.8
125.09723	100.0
126.10066	2.4
129.07372	0.6
134.37456	0.5
142.90802	0.5
143.10768	1.3
159.51199	0.5
169.08690	3.2
171.10255	2.4
187.09753	83.0
188.10074	2.0
207.10280	0.6
225.11349	1.7
261.13416	37.1
262.13797	1.4
263.11627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.61971	0.7
52.72422	0.7
55.01879	1.7
57.03433	1.8
58.00595	2.8
59.01378	100.0
70.24906	1.4
71.01380	47.1
72.01715	1.3
72.99316	2.4
73.02943	6.4
83.01387	2.4
84.25493	0.6
85.02946	11.7
87.00882	1.3
89.02443	45.8
95.01385	4.2
97.02984	1.0
99.00877	1.9
101.02441	21.0
111.00922	0.8
113.02448	15.5
119.03487	16.1
122.03827	0.8
124.11682	0.7
125.09698	4.8
127.11285	4.7
131.03526	1.3
133.06924	2.2
139.07645	0.8
139.11247	1.7
143.03473	0.8
149.04660	0.7
155.10753	3.3
157.12361	0.9
161.04597	3.3
163.11227	1.1
165.09238	2.2
166.02693	2.6
167.10815	1.0
168.78687	0.7
171.10246	2.8
173.13574	0.7
174.82240	0.6
179.10880	0.8
181.05090	2.9
181.12428	4.8
183.10266	0.8
185.11913	1.5
197.11824	1.4
199.09712	2.0
199.13411	7.0
201.11316	57.5
202.11743	1.2
207.10298	4.7
210.97362	0.6
213.72952	0.7
215.12895	2.9
217.14391	3.4
225.11308	21.3
226.11708	0.9
241.14810	0.8
243.12354	13.7
244.28990	0.6
261.00766	1.1
261.13403	54.1
262.13885	2.3
279.91974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20683	0.6
59.01370	3.4
61.98830	0.8
72.00910	11.9
75.00871	1.5
85.02975	1.3
91.05529	1.2
93.74209	0.6
94.14471	0.6
96.04570	1.3
103.92025	2.1
104.92825	0.8
111.44479	0.6
112.66301	0.5
112.98031	0.5
145.96738	1.0
146.08202	1.2
147.04523	37.6
148.04890	1.0
152.45184	0.6
161.96260	0.6
164.07159	100.0
165.07484	2.5
199.94035	0.6
234.04327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.32235	1.0
52.63204	1.1
55.01849	1.1
57.03439	3.5
59.01377	2.6
69.11964	6.5
71.01382	7.8
79.67241	1.2
80.02636	1.3
83.05017	3.0
83.86542	1.1
91.65690	1.1
95.05039	2.1
96.90742	1.0
97.02943	12.1
97.06612	1.4
102.08150	1.0
105.07104	7.9
107.05016	3.4
108.05819	10.1
108.56353	1.0
109.02919	6.8
109.06570	3.4
110.03748	1.1
111.04504	12.0
111.08154	2.1
111.38243	1.1
113.06099	11.0
119.08652	4.3
121.06586	3.2
122.03737	13.1
123.04546	1.4
123.08132	10.3
124.05303	1.6
125.06086	34.7
125.09743	1.4
135.08151	2.8
136.05299	14.3
137.06091	8.0
137.09692	1.6
138.06860	20.8
139.07651	37.5
147.08124	1.7
148.05287	9.6
149.06084	4.2
151.07642	73.3
152.04778	8.5
152.08432	34.1
153.09201	28.6
154.09482	1.1
159.11786	5.4
160.08711	1.1
161.09685	8.4
163.07622	14.1
164.08415	2.5
167.07152	4.3
170.05858	1.1
171.08203	1.3
185.09717	2.0
186.10471	4.0
188.08400	3.1
189.09215	5.8
201.09319	1.0
201.12854	32.6
202.13075	1.3
203.10753	23.0
204.11537	66.9
205.11835	3.8
219.13885	100.0
220.14183	4.3
229.92888	1.1
248.10484	1.9
260.98181	1.3
263.07050	1.3
263.12817	11.4
263.15369	1.2
263.16550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1499
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.17566	0.5
53.59378	0.6
57.03452	0.8
58.00592	0.7
59.01383	6.7
62.08622	0.6
69.03443	1.4
71.01375	0.8
71.05022	1.6
72.73598	0.5
72.99310	7.3
75.00876	100.0
75.78172	0.5
76.01230	0.6
81.03503	0.8
83.05026	1.2
85.02483	0.7
85.02931	3.7
87.04510	1.4
92.46767	0.6
96.95999	0.7
99.08183	3.4
99.08739	0.5
101.06086	1.5
116.93835	0.5
129.09271	3.3
135.04440	0.8
139.11307	1.8
143.10776	0.8
156.02026	0.6
157.12331	0.8
160.05200	0.6
187.13387	2.4
217.14429	0.7
219.06619	0.9
230.83055	0.6
245.13812	0.7
263.14990	99.2
264.15247	2.9
275.83817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01376	3.1
62.23512	0.5
64.58436	0.7
69.24718	1.9
69.25111	1.2
73.82606	0.6
98.21780	1.1
130.61633	0.6
153.03204	0.6
160.70883	0.7
217.40894	0.6
227.04984	0.7
245.19209	0.8
263.20151	100.0
264.20508	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0876
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
58.99589	2.3
59.01358	2.3
71.01379	26.4
71.43871	1.0
92.05068	1.2
96.96011	2.7
96.99294	1.4
105.07095	13.6
114.01960	1.5
115.00374	49.6
129.40730	1.3
148.07689	100.0
149.06082	15.0
149.07985	3.0
171.52690	1.0
174.09241	1.3
176.10783	7.5
178.05121	1.1
188.21872	1.1
202.08760	11.3
204.06657	1.1
214.00464	1.1
220.09779	66.0
221.10097	1.7
246.07829	6.8
264.08755	98.6
265.06979	1.3
265.09320	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.8
60.83624	0.6
61.98816	1.1
62.53663	0.7
71.01385	0.6
71.08846	0.9
73.04063	2.3
86.02474	6.3
89.28642	0.6
92.05055	2.1
110.73802	0.6
116.95688	0.7
123.00896	0.8
128.03516	2.3
129.09206	1.4
136.04039	2.6
150.04230	1.1
174.05576	1.2
177.09537	100.0
178.09862	3.0
204.08643	0.8
221.09309	2.3
264.09912	1.4
264.12747	28.9
264.15955	1.3
265.12430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0829
Annotation	Dinex
Peak:m/z	Relative Intensity
70.28804	1.7
70.29185	0.7
74.02470	2.0
79.95738	0.8
82.02989	2.7
84.04562	0.9
85.02956	0.8
86.02483	1.4
92.05058	83.7
93.05396	1.8
128.03537	100.0
129.03894	2.0
136.04041	96.3
137.04352	1.4
146.06155	1.4
159.05650	0.9
177.10310	1.7
183.05617	2.4
185.07181	27.5
199.05096	1.2
200.06012	1.4
203.08237	4.0
204.06659	1.8
221.09186	1.3
229.06155	11.9
247.07256	6.6
265.08282	36.4
266.08557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.77248	0.3
81.03476	0.4
85.68826	0.4
95.05022	1.7
98.21872	0.3
111.04472	0.5
115.05539	100.0
116.05873	2.8
125.56435	0.3
131.04990	0.6
159.04561	1.8
191.08676	0.5
206.07339	2.0
221.09807	1.9
235.07584	0.5
237.15030	0.8
247.13359	0.7
265.08472	1.7
265.12161	0.8
265.14548	5.9
265.18176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98026	0.7
58.99601	100.0
59.01395	0.7
59.99934	0.9
63.96232	2.8
67.41180	0.4
69.39162	1.6
72.99310	6.2
73.98313	2.1
74.99095	41.1
87.00880	5.9
87.74495	0.4
93.03501	0.8
93.76608	0.5
96.96007	6.2
98.95589	0.5
111.04556	0.6
117.97320	1.7
128.03551	0.7
133.02977	0.9
135.04526	1.2
135.98378	5.2
136.04137	0.6
136.99144	22.6
141.07494	0.9
147.01265	2.0
149.08122	0.6
159.08488	1.0
160.47066	0.6
173.04596	1.6
177.09570	9.2
178.09988	0.6
179.03531	0.7
179.07132	0.7
199.03299	0.5
221.10181	0.8
237.05592	0.6
240.45024	0.6
241.44260	0.6
247.10030	4.3
248.72394	0.5
265.07687	2.6
265.11142	42.9
266.11432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
57.03386	0.5
59.01372	5.4
70.61929	0.9
78.13632	0.4
81.12191	0.5
83.05015	0.7
92.09597	0.5
96.95969	0.9
98.52740	0.5
106.04179	0.6
108.12077	0.4
149.13324	1.0
177.16545	2.5
203.14415	2.2
204.14696	0.5
207.47424	0.6
219.13902	1.0
221.15454	100.0
222.15771	4.3
225.44264	0.4
247.13364	1.2
265.04816	0.5
265.12350	0.9
265.14471	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
57.03455	10.9
59.01371	6.3
65.03970	9.2
69.03455	3.4
69.49513	8.5
70.88079	1.6
71.01392	4.8
71.05015	2.4
81.03462	19.0
83.05029	17.5
93.03455	24.1
95.05036	33.5
97.06608	4.0
106.00172	2.3
108.02203	2.4
109.02958	5.8
109.06577	6.5
110.03725	6.2
111.04517	44.8
121.06585	2.5
123.04511	3.4
125.09727	8.6
128.25520	2.0
137.09756	3.3
139.11287	7.1
151.70219	1.9
155.10748	2.3
163.11330	5.5
171.10254	7.1
173.11855	1.7
173.35852	1.8
177.12854	6.9
179.14397	5.0
181.12431	2.1
193.12358	2.3
193.15982	6.4
201.12903	1.9
203.14398	5.8
207.10292	3.5
219.13910	6.2
221.05995	1.9
221.11807	17.4
221.15408	2.4
223.13396	39.6
233.11577	7.5
237.14958	39.0
242.26776	1.9
247.13405	26.2
265.14478	100.0
265.17529	3.1
266.14737	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Rugosal A
Peak:m/z	Relative Intensity
57.03436	5.3
59.01364	2.6
65.03961	11.8
69.03452	3.0
69.42387	6.4
71.01373	6.3
71.05034	1.9
74.96518	1.2
76.51525	1.1
80.02682	1.8
81.03456	29.1
83.05020	28.1
90.47440	1.2
93.03452	19.9
95.05019	9.2
96.96010	1.9
106.04213	1.7
108.02174	3.4
109.02940	7.5
109.06575	5.7
110.03745	7.8
111.04520	65.1
112.01041	1.2
119.05041	1.7
121.02981	2.8
122.03790	1.3
123.04472	3.5
130.75803	1.2
134.03729	1.4
137.09726	1.4
139.11284	9.7
148.16757	1.3
155.10805	3.7
171.10297	6.2
177.12813	9.0
183.10292	3.1
193.15994	13.5
203.14413	2.1
209.11826	2.9
219.13885	9.6
221.11795	22.8
223.13432	1.9
235.13113	1.6
237.14941	87.3
238.15338	4.1
247.13353	19.1
263.42230	1.4
265.14444	100.0
266.14798	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16258	0.3
67.98686	0.3
68.40935	0.3
76.36678	0.3
76.57322	0.3
79.95726	2.0
80.96532	0.5
92.05063	0.7
93.03419	0.4
95.05030	0.4
95.95196	0.4
96.96011	100.0
107.53461	0.3
110.03772	0.5
111.04527	0.4
121.02924	0.4
128.03520	0.6
136.04047	0.5
140.35583	0.3
177.01894	0.5
195.98730	0.3
209.20863	0.3
229.12373	0.3
237.14992	0.5
247.13383	1.9
265.14761	84.0
266.15140	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63252	0.3
59.60136	0.3
69.76513	0.9
79.95728	2.1
80.96479	0.3
95.95244	0.7
96.96008	100.0
128.03514	0.5
149.02478	0.4
150.17769	0.3
162.80975	0.3
164.89493	0.4
221.01030	0.4
265.14771	93.1
266.15094	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75494	0.5
69.83112	1.8
70.34010	0.5
76.30768	0.5
79.95758	2.3
92.05027	0.6
96.96009	100.0
133.02873	0.5
134.91121	0.6
136.03935	0.6
145.07037	0.6
189.46776	0.6
230.84016	0.7
265.14767	85.6
266.15140	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
69.77629	0.9
79.95719	2.1
83.12891	0.3
93.81456	0.2
95.95222	0.4
96.96012	100.0
98.22552	0.5
140.54185	0.3
147.27354	0.3
241.91014	0.3
265.14780	72.6
266.15054	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.37981	3.9
59.01379	20.3
61.33788	4.1
71.05025	4.6
73.30624	4.1
80.92609	4.2
83.05010	5.6
96.96004	11.4
110.37105	4.6
114.23409	3.9
127.68498	3.7
129.05536	11.2
168.92183	3.9
169.41191	4.4
171.10240	17.3
177.12656	4.3
179.82198	3.7
181.12328	4.9
184.00998	11.9
187.61604	4.6
203.10738	5.6
203.18013	9.7
207.13904	40.5
209.15387	6.6
247.13351	5.9
247.14493	5.3
247.17032	76.3
265.12219	10.1
265.14719	16.9
265.18039	100.0
265.20840	5.6
266.18326	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.63451	1.0
52.41471	0.9
54.67933	0.9
57.03425	1.6
59.01375	5.6
61.89329	1.1
61.98807	1.0
66.11908	0.9
69.03461	1.2
83.05045	1.0
85.02912	1.1
93.12379	1.0
95.05031	1.2
96.96006	3.5
97.06578	8.4
99.08106	1.6
106.04216	1.4
113.09734	1.3
121.10228	32.3
125.06062	2.9
126.08960	1.2
128.41882	1.0
135.91678	1.0
143.07129	55.5
144.07419	1.1
149.09744	2.2
149.13326	1.4
151.11249	1.7
151.61009	1.2
153.12863	1.2
157.08632	2.0
167.10756	3.3
177.12790	2.0
184.01025	2.0
202.92630	1.1
203.10811	1.3
203.18033	7.0
221.11836	1.4
221.19125	2.9
247.13303	3.7
247.17006	48.2
248.17351	3.0
265.14828	4.6
265.18063	100.0
266.18362	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.45720	0.7
52.18517	0.8
59.01376	1.2
71.43116	0.9
72.50938	0.8
92.05045	1.2
96.96011	32.3
110.24274	1.0
117.46920	0.8
138.99309	1.0
154.46709	0.9
175.40981	0.8
230.53247	0.8
247.13316	1.2
265.12332	1.7
265.14743	29.1
265.21710	100.0
266.15085	1.3
266.22076	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02034	15.7
51.95117	15.8
55.79011	17.2
56.78491	16.2
57.03444	22.4
60.26138	16.4
63.38969	15.3
67.12418	16.4
69.47648	27.7
69.48039	51.5
69.51543	18.0
80.66451	16.0
130.39388	20.5
130.57185	16.8
223.13339	100.0
249.14885	47.6
266.14819	47.9
267.16040	49.2
288.41302	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31282	35.9
59.01370	50.0
71.04786	47.8
73.52912	41.2
85.02959	44.5
85.45318	46.4
92.05039	69.0
100.43171	43.7
129.01952	66.2
136.04025	100.0
179.03522	44.4
235.31461	48.7
244.61209	43.3
266.06772	68.5
267.09085	52.8
267.12289	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03433	1.6
59.01370	4.2
62.01782	0.7
71.01371	1.2
71.43860	0.9
72.99304	3.0
73.02930	0.9
75.00862	5.3
83.01392	1.7
85.02943	0.8
86.55031	0.8
87.00870	9.2
96.96005	9.1
99.00877	19.2
101.02432	3.4
105.01931	100.0
106.02239	1.1
108.02144	0.9
113.02473	1.1
117.01936	5.7
121.02953	22.1
122.06071	0.9
133.02960	7.2
134.03801	1.4
135.04504	10.9
145.01425	44.0
146.03754	7.7
148.01688	1.5
153.05557	2.2
161.02440	37.6
161.06093	2.0
162.02887	1.1
163.04024	3.4
163.07616	0.9
164.04842	4.1
179.03485	5.0
179.07156	13.0
184.56435	0.7
193.05072	0.8
223.09785	0.9
237.07683	0.9
267.05240	5.2
267.08963	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
56.26943	0.5
57.03443	2.9
59.01379	18.6
68.99786	0.7
69.69018	1.4
69.69360	0.8
71.01016	1.2
71.01382	20.0
72.99298	2.8
73.02934	1.3
75.00871	9.6
82.85159	0.6
85.02949	26.9
85.03468	1.4
87.00876	9.3
89.02446	6.9
92.92801	2.5
93.03470	3.3
95.01392	3.2
96.56197	0.6
96.96009	8.3
99.00869	4.2
99.04560	0.8
101.02471	1.4
103.00365	1.1
111.00878	0.9
111.04499	1.2
113.02450	25.9
115.00315	0.9
117.01934	2.1
127.04002	2.2
129.01917	1.2
131.03545	0.7
131.04626	0.8
148.94948	1.1
150.94688	0.9
173.04576	1.0
175.02382	1.3
191.05602	100.0
192.05910	2.8
192.95822	1.5
193.06055	2.9
207.05026	1.3
249.06142	2.8
256.03467	0.7
266.98593	2.6
267.07193	66.0
267.76904	0.7
268.07547	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.091
Annotation	moclobemide
Peak:m/z	Relative Intensity
56.39517	0.5
59.01365	1.2
62.85762	0.4
69.77867	1.2
69.78210	0.8
79.95729	6.2
80.96548	0.4
87.00871	0.8
96.96008	100.0
98.22643	0.5
99.00862	1.5
101.02468	0.5
105.01938	2.9
117.01917	1.1
121.02963	3.0
122.06129	1.2
135.04494	0.7
145.01439	5.8
161.02451	1.0
163.03990	0.6
169.68568	0.5
179.07127	0.7
179.10764	0.6
207.94696	0.7
223.09766	0.6
233.60767	0.6
267.09061	88.4
268.09363	3.1
284.56390	0.4
288.26294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.51149	0.4
57.03449	2.8
59.01382	100.0
60.01731	0.7
60.99307	0.7
69.11776	2.9
71.05034	1.8
81.42845	0.4
83.05050	1.4
87.00896	2.1
91.15708	0.4
109.06646	0.5
138.28960	0.4
139.14737	0.5
147.64052	0.4
161.09691	0.8
161.13373	2.2
163.11357	1.9
169.00949	0.4
183.06390	0.5
187.11285	0.5
190.84399	0.4
195.06299	0.5
200.72211	0.5
205.12502	0.6
207.10281	3.3
223.13400	49.9
224.13857	1.5
249.15131	0.6
267.12469	4.2
267.15967	1.2
281.41797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.76285	0.3
57.03450	2.9
59.01382	100.0
60.01733	0.7
60.99303	0.4
64.21604	0.3
65.61544	0.3
69.56741	1.3
71.05038	2.2
83.05030	0.8
87.00907	1.4
95.04988	0.4
124.80792	0.3
161.09723	0.5
161.13374	2.2
163.11346	1.7
163.12634	0.4
187.11382	0.7
205.12334	0.4
205.15915	0.4
207.10210	2.9
220.99033	0.3
223.13402	44.8
224.13741	1.7
227.32631	0.3
235.28140	0.3
267.12439	4.4
267.16077	1.5
268.12872	0.4
272.00690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1599
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
57.03452	4.5
59.01365	1.1
59.98507	0.9
69.03458	5.5
71.44662	0.7
73.02934	2.8
81.07114	3.2
81.91547	0.6
83.05006	2.1
85.02955	0.7
87.04521	0.9
95.05005	1.8
98.03716	1.7
99.04503	1.7
113.06101	0.7
119.08678	0.7
125.09725	0.8
132.39789	0.6
134.03737	0.7
135.08185	1.1
135.11783	4.5
137.09755	1.3
153.08058	0.7
153.09210	10.7
174.88380	0.7
179.10767	30.1
180.11111	1.2
185.11856	3.1
207.09976	0.7
209.11800	5.8
216.38464	0.6
231.14012	0.7
249.14957	7.3
267.15991	100.0
268.16299	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
54.28119	0.8
55.36303	0.8
55.46078	0.9
57.03434	2.8
59.01368	4.0
69.03452	6.4
70.20013	0.8
70.67821	1.3
71.05008	1.4
73.02935	1.5
81.03438	1.1
81.07087	3.0
83.05017	2.1
85.02942	1.1
85.98416	0.8
87.04482	0.9
95.05025	1.6
96.96045	1.3
99.04523	3.6
107.04977	1.0
113.06073	1.3
119.08703	1.1
120.34863	0.8
130.91022	0.8
135.11807	5.1
137.09708	2.1
151.11288	1.0
153.09215	8.9
161.09793	1.2
179.10777	25.7
180.11198	0.9
185.11798	1.0
205.15932	1.8
206.54945	0.9
211.13423	3.2
223.13400	2.6
237.05518	2.6
249.14944	3.9
252.07878	1.0
267.16006	100.0
268.16272	3.8
270.20959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
61.98810	0.7
70.57520	0.9
92.03686	0.7
103.93701	0.7
105.48221	0.7
111.00909	0.8
124.18809	0.8
205.15952	12.3
223.17026	100.0
224.17386	2.5
231.13947	1.8
249.14941	7.0
254.79811	0.8
267.16000	62.6
268.16324	2.9
269.89377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
52.20459	0.2
57.03428	0.3
83.05019	0.8
98.22655	0.6
98.95618	0.3
99.08160	2.3
111.08077	0.2
165.12845	2.9
167.10753	0.5
223.20564	1.1
249.18633	0.5
267.19638	100.0
268.19998	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78994	1.0
56.30101	0.9
59.01369	3.8
70.03336	2.2
85.06578	1.5
96.95996	1.2
143.07130	3.9
171.10262	2.0
178.78822	1.0
179.14557	1.5
191.91324	1.2
195.13889	14.1
202.01477	1.0
209.04588	1.1
210.58539	1.1
249.18584	20.2
251.05876	1.7
267.19653	100.0
268.19980	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41644	1.5
59.01374	11.0
60.47616	1.4
68.12545	1.8
69.76576	5.3
77.05065	1.4
81.10882	1.7
93.94782	1.8
98.22622	3.1
121.02862	2.1
129.05579	6.2
132.25488	1.4
149.09737	2.4
167.10756	37.4
168.11110	1.7
231.17490	1.6
249.18590	30.2
267.19626	100.0
268.20010	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03437	3.2
59.01367	2.4
63.50236	0.6
71.83253	0.6
77.73097	0.7
91.83369	0.6
93.98100	0.7
95.05041	1.7
97.06586	7.8
99.08163	1.0
113.09723	7.1
121.02947	0.8
125.06076	2.0
127.07633	0.7
143.07140	30.5
143.13405	0.6
149.99850	0.6
151.11240	1.5
157.08653	0.8
205.19708	0.8
223.17224	0.7
223.20645	1.3
249.18584	29.3
250.18901	1.2
267.19638	100.0
268.20020	4.9
273.09232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29456	24.8
68.40790	28.3
69.70593	91.5
83.16631	28.2
93.05422	36.6
98.21854	34.7
126.10312	29.9
137.04420	38.4
141.88478	27.6
160.04085	34.3
268.09589	100.0
272.40140	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.15030	0.1
57.65899	0.2
58.97507	0.1
59.01363	0.1
63.02390	1.2
65.00320	3.3
68.16743	0.1
68.20378	0.1
69.33443	0.8
77.03975	0.2
81.03423	0.2
83.01385	1.6
93.03456	0.3
95.05005	0.2
105.03454	1.1
107.01383	6.0
111.45183	0.1
117.03460	23.8
118.03799	0.8
119.63586	0.1
121.02950	1.2
141.03502	0.2
148.01578	0.2
148.23082	0.1
149.02440	9.6
150.02769	0.2
151.00368	11.6
152.00786	0.2
157.06613	0.3
159.04527	1.8
169.06575	0.5
179.99564	0.2
180.05809	0.5
181.06580	1.6
183.04510	1.5
185.02425	0.4
196.05254	0.4
197.06076	0.6
201.05588	2.0
213.05571	0.2
224.04778	0.4
225.05533	4.1
225.15005	0.5
227.03511	1.9
241.05115	0.3
268.04013	0.2
269.04526	100.0
270.04883	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.72772	0.1
57.81381	0.1
59.01350	0.2
59.55784	0.1
63.02396	5.3
65.00319	3.0
66.81841	0.2
79.01888	0.2
82.10128	0.2
83.01382	0.7
85.12560	0.2
89.00329	0.2
93.03451	0.9
105.03468	0.6
107.01387	4.7
109.64750	0.1
117.03463	13.9
118.03784	0.3
121.02972	0.8
131.05035	0.2
135.04518	0.6
149.02438	3.7
151.00371	4.0
155.05087	0.3
157.06567	0.3
159.04510	3.5
161.02441	1.7
168.05846	0.2
169.06639	0.9
171.04536	0.3
173.06093	0.2
180.05771	0.4
181.06566	1.1
182.03699	0.3
183.04529	1.8
185.02403	0.2
196.05275	0.5
197.06032	1.2
199.04037	0.4
201.05580	1.4
212.94330	0.1
213.05592	0.3
224.04750	0.7
225.05530	2.7
225.14919	0.2
226.05902	0.2
227.03545	1.3
240.03979	0.2
241.05075	0.4
251.12921	0.3
254.01901	0.2
268.03879	0.2
269.04532	100.0
270.04877	5.6
270.07788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16372	0.4
54.20456	0.4
57.34452	0.4
59.01384	8.9
61.98821	0.5
69.99520	1.3
71.01385	6.8
72.99315	4.2
74.52470	0.4
75.00893	0.4
87.00413	0.5
87.00873	2.5
89.02445	100.0
90.02763	0.9
101.02440	1.6
113.02437	1.7
117.01917	0.4
119.03525	0.8
131.03534	0.5
143.03482	0.7
152.95967	3.1
161.04585	0.5
170.96985	6.0
179.05620	2.8
195.05139	0.9
237.83041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.1
57.03447	8.2
59.01379	78.2
67.01891	1.1
69.03409	1.3
69.43454	3.8
71.01381	100.0
73.02943	42.1
73.03358	1.9
75.00866	1.9
82.12527	0.9
83.01385	19.3
84.61008	1.0
85.02951	53.7
85.51115	0.8
87.00883	5.2
89.02449	4.6
90.84510	0.9
95.01395	7.6
96.96014	1.4
97.02945	2.9
99.00879	14.5
101.02446	81.3
107.04990	1.6
113.02451	38.4
124.07753	0.9
125.02422	3.3
129.01917	2.4
143.03485	1.8
159.02975	7.5
161.04555	27.9
251.12788	1.4
269.07434	1.9
269.10245	10.1
269.13846	4.2
269.21191	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.5
55.69311	0.8
57.03445	8.8
57.24886	0.9
58.00607	1.2
59.01382	70.8
69.03458	2.0
69.63020	3.5
71.01384	100.0
72.99324	3.5
73.02947	44.4
75.00869	2.2
75.70558	0.8
83.01392	20.6
84.02175	1.2
85.02956	56.1
86.00118	1.3
86.03205	1.1
87.00867	6.4
89.02455	3.9
95.01388	8.5
97.02959	2.4
98.22624	1.9
99.00885	16.4
101.02448	87.1
102.02776	0.9
107.05031	3.1
111.00885	1.4
113.02454	46.3
123.08244	0.9
125.02486	1.9
129.01932	2.1
135.04494	2.0
143.03503	2.7
159.03006	10.1
161.04561	32.6
162.04970	0.9
163.11345	1.0
166.06358	2.9
180.39302	1.0
181.08714	1.9
207.13899	0.9
209.04588	1.3
269.06744	3.1
269.10339	11.8
269.13589	1.4
269.21252	1.1
269.24832	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20442	1.1
57.03441	2.0
59.01377	100.0
62.09231	0.9
67.68131	1.0
70.42487	2.0
79.70824	1.0
83.05018	1.8
89.77594	0.9
99.04503	2.8
105.96282	0.9
109.06567	1.5
119.91293	1.0
125.09769	1.0
125.92651	0.9
126.00525	0.9
134.20094	1.1
134.82649	1.0
148.23920	0.9
148.93738	0.9
149.33392	1.1
165.12849	10.8
181.12337	1.1
181.16080	1.1
189.12923	1.7
191.10779	1.6
193.12459	1.0
197.42674	1.1
207.13873	15.9
209.11816	20.1
220.43736	1.0
225.14900	14.9
248.90056	1.0
251.12830	9.8
252.13016	1.2
269.13937	80.4
269.17334	4.8
269.21240	3.4
269.25000	1.2
270.14227	4.0
270.17157	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71893	0.3
59.01369	0.8
67.90818	0.4
69.52541	1.4
85.85041	0.4
87.49522	0.3
89.02406	0.4
106.59860	0.4
180.29433	0.3
185.11819	7.8
186.95558	1.1
193.52174	0.4
233.18997	0.6
238.75922	0.4
251.20160	16.2
252.20537	0.9
267.19632	1.1
269.08127	1.3
269.21204	100.0
270.21542	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
64.11137	0.8
69.43844	3.5
69.44193	1.1
84.83750	1.0
85.00377	1.1
85.06593	1.0
152.01151	2.2
183.13867	5.8
186.95656	2.2
211.50742	0.9
223.77365	0.9
229.14714	1.0
251.20132	10.3
267.19510	1.4
268.99011	1.1
269.08194	3.4
269.21210	100.0
270.21521	6.5
278.62891	1.0
280.60898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1135
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
52.49684	0.3
53.26300	0.2
59.01356	1.0
67.71299	0.2
69.34133	0.8
69.34528	0.6
73.42499	0.3
74.02440	0.2
79.52404	0.3
99.00862	0.3
108.02184	1.0
112.98788	0.3
115.95776	0.3
135.04524	3.1
147.03250	2.8
160.03976	0.5
161.04671	0.3
162.05603	100.0
163.05951	2.6
174.01709	2.1
174.38759	0.3
270.11346	9.5
271.11621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30338	31.5
59.01375	33.5
108.02171	100.0
125.63976	30.4
140.75238	34.2
142.91281	37.6
174.01665	45.6
253.59215	36.4
270.14157	34.2
271.11929	52.3
277.13803	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.55185	0.4
59.01379	2.7
63.02398	8.9
65.00325	16.6
72.94271	0.4
75.51907	0.4
83.01386	12.1
93.03461	14.4
93.71128	0.4
107.01388	27.7
108.02163	1.2
114.60664	0.4
119.05028	72.2
120.05363	1.5
121.02962	1.1
125.02457	1.2
137.02354	0.8
143.05034	0.9
145.02963	1.7
151.00369	66.0
152.00710	1.3
161.06079	1.5
165.01930	3.3
169.01396	1.7
177.01929	9.0
185.06068	1.5
187.04045	2.3
209.15402	2.1
227.03462	1.4
227.07054	0.5
227.16579	1.4
235.13432	3.9
253.05025	0.5
253.14426	5.5
271.06104	100.0
271.15506	9.9
272.06436	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Arbutin
Peak:m/z	Relative Intensity
55.01872	0.3
59.01377	1.7
67.15218	0.2
70.83015	0.2
71.01376	7.1
73.02937	2.7
76.40543	0.2
78.05264	0.2
81.03443	0.3
83.01365	0.9
85.02946	3.3
87.00872	0.2
89.02439	0.5
93.03460	0.2
95.01386	0.7
97.02955	0.3
99.00872	0.8
101.02439	4.9
107.04977	0.4
108.02171	100.0
109.02982	13.9
109.33461	0.2
110.03273	0.4
113.02440	3.7
121.02963	1.0
122.03753	0.2
123.04532	1.7
129.09384	0.2
130.08740	5.8
133.02974	0.8
134.03790	0.4
135.04518	0.6
143.03442	0.4
151.04007	4.2
151.05225	0.2
152.04430	0.2
154.69415	0.2
159.03021	1.1
161.04550	5.4
162.59491	0.2
163.04004	1.6
228.07355	0.3
230.08891	0.5
271.08127	1.0
272.09921	2.6
290.88403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Dehydrooxoperezinone-6-methyl ether
Peak:m/z	Relative Intensity
64.00053	0.4
69.11531	1.9
69.11932	0.9
70.71470	0.5
108.02179	3.5
109.02934	0.5
133.06578	1.1
161.06096	0.5
172.08876	0.7
173.06039	0.6
175.07642	0.9
189.01945	1.0
189.05571	3.7
200.08421	16.0
201.08846	0.5
203.07153	1.0
215.32884	0.5
216.07872	0.8
217.05066	4.5
228.07935	2.8
231.06659	0.6
241.05067	1.7
255.06580	0.8
256.07404	100.0
257.07690	4.8
271.09750	83.6
271.22809	4.6
272.10110	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52576	0.6
59.01379	33.6
69.03434	0.7
71.01393	0.8
71.05030	1.6
71.45347	0.6
73.02942	1.0
73.40925	0.6
83.05006	0.9
85.02943	1.3
87.00881	1.0
99.04510	8.3
108.02167	4.0
109.02950	0.7
117.80412	0.6
171.10278	8.8
183.13905	6.8
185.11810	1.0
191.14369	1.2
193.12372	1.9
195.12376	0.7
209.15468	49.9
210.15880	2.0
211.13397	76.4
212.13783	4.0
221.12029	0.8
227.16495	2.6
235.13367	4.2
239.12894	1.1
245.75462	0.7
253.14445	8.2
271.15509	100.0
272.15906	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36760	0.9
57.03428	2.6
58.00594	5.0
59.01375	31.1
69.03439	2.8
71.01370	2.1
71.05018	1.2
72.99297	1.3
73.02921	3.6
78.89838	0.9
80.93650	0.8
81.03427	2.4
83.05011	3.5
84.02173	1.3
85.02934	3.0
87.04510	2.2
97.06585	11.9
99.04502	1.8
99.08135	1.3
105.31902	1.0
108.02148	5.7
109.02900	1.2
109.06578	3.1
111.08156	29.3
113.06087	10.0
115.04025	3.0
121.06580	3.0
123.08140	1.8
125.06052	1.8
125.09690	0.9
127.07616	3.7
135.08171	6.5
137.06067	2.3
137.09706	1.1
139.07629	8.4
141.05571	10.2
143.07143	4.4
155.07123	11.4
157.42555	0.9
171.10310	4.6
173.08128	1.5
173.13364	3.2
185.05994	1.0
191.14436	2.5
195.04518	1.1
199.04008	1.5
201.11400	4.7
207.13963	1.2
213.05534	2.7
213.11307	1.8
215.03392	1.3
225.05667	1.7
227.03523	1.2
227.12840	3.6
235.13446	2.2
240.07861	1.3
241.05026	7.2
253.14522	7.1
256.07220	4.8
271.02502	13.2
271.09378	4.4
271.15488	100.0
272.02505	1.0
272.15768	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03445	1.9
59.01381	3.2
69.03461	1.7
69.31488	2.3
71.01347	0.8
71.05020	4.5
73.02940	1.1
73.61249	0.5
81.03451	27.9
83.01428	0.6
84.02159	3.5
85.02950	0.6
87.04521	2.6
97.02937	2.4
97.06613	0.6
99.04513	34.1
107.01447	0.5
108.02193	3.9
111.08138	0.6
119.05004	1.1
121.10216	0.7
125.09689	0.5
127.07672	0.9
127.11279	2.2
127.89109	0.5
139.07689	0.7
153.09190	0.6
161.82526	0.4
164.99893	0.5
165.09230	1.5
168.55000	0.5
171.10258	100.0
172.10597	2.8
191.14352	0.5
201.11307	6.5
209.11812	0.7
213.05537	1.3
213.11293	3.8
225.05608	0.7
226.89886	0.5
235.13434	1.5
241.04956	3.6
252.66426	0.5
253.14395	4.9
256.07297	2.8
271.02524	1.2
271.05960	1.3
271.09439	0.8
271.15469	19.3
272.15582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.62805	0.3
57.03444	0.5
59.01138	0.3
59.01377	3.2
69.03423	0.6
69.22437	0.4
71.01368	0.9
71.05004	0.7
72.60852	0.4
80.02658	1.6
81.03458	4.2
83.05027	11.6
84.02167	2.7
85.02953	0.7
93.03445	0.7
95.05024	1.6
97.02945	1.3
97.06578	0.4
106.04287	0.4
107.05029	1.0
108.02174	2.4
109.02924	0.8
109.05981	0.5
109.06590	4.6
110.03735	5.1
111.04467	0.6
121.06614	0.6
123.04496	1.1
123.08134	0.4
125.09665	0.4
132.83969	0.4
135.11792	0.4
136.05266	1.4
139.07613	0.5
139.11214	0.4
142.02686	1.2
149.09703	1.5
159.11821	0.7
171.04539	0.6
173.08191	0.6
175.11252	1.5
177.12833	11.4
179.10686	0.5
193.12338	1.5
195.13873	8.8
197.11607	0.5
203.10730	1.2
209.15421	0.4
211.13307	0.9
213.11302	2.6
221.11813	100.0
222.12138	4.6
237.00896	0.4
239.12868	38.0
240.13332	1.5
253.14589	0.7
256.13120	1.2
271.15491	24.1
272.15857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27223	0.7
59.01380	34.1
65.10349	0.6
67.01894	0.7
68.38901	0.6
71.01367	1.2
71.05022	1.1
71.44649	0.7
73.02927	1.2
83.05028	1.6
85.02946	1.0
88.59630	0.7
99.04508	7.0
108.02179	5.8
109.02901	1.1
111.04468	0.7
116.92802	0.8
119.08569	0.7
129.05612	0.6
131.36560	0.6
137.71635	0.7
143.33545	0.7
167.14462	1.0
171.10268	4.3
183.13889	8.7
191.14363	1.6
193.12372	2.6
197.16048	0.7
209.15474	50.3
210.15790	1.9
211.13393	83.2
212.13802	4.3
221.11900	1.1
225.15051	0.8
227.16545	1.7
235.13411	1.8
239.12955	1.6
253.14458	6.5
271.15515	100.0
272.15848	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03217	0.6
57.03450	4.7
59.01379	23.0
64.21994	0.5
67.01884	0.6
69.03451	2.9
69.13281	2.3
69.13679	1.6
71.01377	18.7
71.05013	5.3
73.02952	0.6
81.03451	1.9
83.05026	4.2
84.02184	0.8
85.02939	3.6
87.04507	2.3
93.03429	2.6
93.07028	0.6
95.05020	1.6
97.02916	0.9
97.06570	2.5
99.04513	0.9
99.08182	3.2
101.75319	0.6
108.02194	3.0
109.02957	0.8
109.06586	5.0
110.03703	1.3
111.04513	11.1
111.08163	11.6
113.06026	1.6
115.03998	5.0
117.07668	0.7
121.06615	3.7
121.10165	1.1
123.04500	2.6
125.06065	1.1
127.07636	2.8
129.05557	1.1
130.08742	7.7
137.06076	1.5
137.09680	1.8
139.07655	7.3
140.07172	1.1
141.05498	1.3
141.09175	0.7
153.05522	1.3
155.07144	12.4
155.10756	0.9
163.11217	1.2
171.06735	0.7
173.08157	3.0
174.01675	1.5
181.12306	2.1
183.06630	1.2
185.16570	5.6
189.12576	0.7
191.14395	2.1
195.10324	0.8
199.13318	1.0
209.11804	2.5
211.13361	1.0
227.12793	0.6
227.17731	0.7
235.13387	3.8
243.15808	0.7
253.10902	0.5
253.11603	0.6
253.14461	8.3
271.02393	1.9
271.15472	100.0
272.15802	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.29416	0.2
56.02995	0.2
60.58916	0.2
61.98813	0.3
69.93571	0.8
85.13612	0.3
98.21922	0.4
108.02148	1.8
117.26067	0.2
185.15833	0.2
225.22243	2.9
253.21693	1.9
269.21161	1.2
271.22772	100.0
272.23123	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46336	0.3
59.01376	11.1
70.48177	0.4
72.00901	0.5
97.94717	0.3
108.02201	0.4
109.02500	0.8
113.94288	0.3
117.00425	1.7
118.19826	0.3
122.92441	0.3
128.07164	0.8
130.08742	100.0
131.09109	2.1
153.22740	0.3
168.99995	0.4
172.00990	0.4
174.02797	0.4
212.07799	0.5
228.07214	2.4
230.08835	7.6
231.08994	0.5
272.09894	47.5
273.10056	4.1
274.81650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29256	0.9
57.03453	2.3
59.01375	4.9
69.36005	4.5
70.13403	1.0
71.01389	1.8
71.05030	1.1
71.60155	0.8
82.25686	1.0
83.01389	10.8
85.02930	1.7
85.75254	0.9
90.43008	1.1
101.02454	6.1
105.14132	0.9
108.04520	1.0
125.09690	1.8
136.07680	2.7
145.01437	2.6
150.73799	0.9
157.43037	0.9
158.24896	1.0
163.02528	1.1
169.12350	92.7
170.12703	2.9
171.10277	19.9
172.10780	1.0
173.44920	1.0
189.87201	0.9
193.05124	3.5
193.12402	3.0
197.11855	20.6
201.11388	3.3
201.42484	1.1
209.11943	2.7
211.13403	9.0
213.11302	1.7
219.10220	2.8
227.12912	2.2
229.09880	1.4
229.14459	5.2
237.11339	13.0
241.10826	100.0
242.11188	4.5
251.40729	1.1
255.12434	14.6
273.00797	1.4
273.13483	57.2
273.16931	4.1
274.13882	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06231	0.7
57.03436	2.6
59.01380	19.1
69.03448	1.1
71.01382	12.7
71.05025	5.2
79.95725	1.4
83.05027	5.0
87.04482	1.0
93.03487	0.9
95.04990	0.9
97.06557	1.0
99.04471	0.8
99.08158	8.6
99.92589	0.9
100.93356	1.0
101.06053	1.9
109.06573	2.2
111.04514	1.3
111.08165	12.7
115.92058	1.0
116.92856	4.4
127.07663	1.9
129.09218	6.5
137.06070	2.2
139.11253	1.3
145.71466	0.7
155.07144	20.5
155.10710	1.4
165.12886	1.7
169.12402	1.1
171.10306	1.3
173.08185	2.9
181.12259	1.4
193.15952	1.8
197.11882	2.1
200.04919	0.8
201.14957	2.8
211.13405	1.0
219.13829	0.8
229.08604	1.1
230.11890	2.2
236.49390	0.8
237.14966	4.3
241.10793	1.9
255.11392	3.6
255.16008	6.1
257.83685	0.8
273.04739	1.4
273.07919	5.2
273.17065	100.0
274.17444	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29211	1.7
59.01377	100.0
60.01705	1.5
69.83910	4.9
74.65794	1.5
80.67638	2.0
81.86565	1.5
83.54509	1.6
85.02918	2.1
88.04040	2.3
97.66470	1.6
98.22004	3.0
99.00899	1.6
99.76023	1.8
99.92513	2.6
134.03734	5.7
135.60919	1.7
144.04546	2.7
149.06078	1.7
158.27730	1.5
169.09833	1.9
178.02672	5.6
182.07156	1.7
193.05093	7.8
194.08154	3.2
249.13930	1.7
268.36096	1.6
273.00769	3.3
273.06491	1.7
274.03635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
55.83885	0.4
59.01389	1.4
69.14110	1.0
69.14514	2.2
69.50900	0.4
71.01393	0.5
73.21465	0.4
75.84624	0.4
79.95759	2.9
80.96520	1.3
84.39954	0.4
97.00614	0.5
98.21851	0.7
124.73141	0.5
130.04260	1.0
133.03000	0.7
134.03745	2.5
135.04518	1.0
146.03784	0.9
151.07652	1.9
158.03755	2.7
159.04477	4.1
159.08174	0.9
162.03201	0.8
171.10239	1.1
172.05315	11.9
172.99074	1.1
173.06070	6.6
174.06750	0.7
175.07581	0.7
177.01868	0.7
183.04446	0.7
187.04173	4.5
187.07635	100.0
188.01443	0.6
188.04660	0.6
188.08002	4.1
195.06598	3.7
201.05556	10.7
202.06355	17.3
203.06712	0.7
203.10809	0.8
204.04282	1.0
213.09196	3.0
215.07033	0.9
216.07817	2.3
231.10243	23.0
232.10481	0.8
243.12346	2.5
260.07095	0.5
275.02380	0.7
275.09375	18.9
275.18054	0.5
276.09671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01367	0.3
59.60059	0.2
63.29206	0.3
69.09055	1.5
92.60701	0.2
105.03512	0.2
109.06583	0.3
112.19624	0.2
133.02971	0.5
134.03725	1.1
135.04512	0.4
145.02951	4.7
151.79472	0.2
158.03737	6.4
159.04524	2.1
162.03157	0.4
162.72487	0.2
187.03966	2.4
189.01930	1.1
190.02692	1.6
197.06088	2.6
198.06848	10.1
199.07138	0.3
206.52577	0.3
211.07590	0.6
213.09201	100.0
214.09546	5.1
225.11375	0.7
231.10292	0.7
240.07590	0.3
274.76056	0.3
275.09213	4.2
275.18759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
67.03011	2.9
70.02972	1.3
72.00922	0.8
75.86250	0.4
78.35223	0.4
82.02988	4.1
91.05532	3.8
96.96010	3.2
98.02502	0.8
107.02522	0.9
109.04075	29.1
111.03278	0.6
112.04045	4.3
116.92867	0.5
118.06651	0.6
119.22265	0.5
121.40207	0.4
127.05134	100.0
128.05457	2.0
139.05162	1.4
147.04530	6.4
148.57343	0.4
164.07129	2.7
171.10274	0.7
183.44740	0.4
186.09200	0.9
214.08752	0.8
231.11397	3.8
257.09280	0.5
275.06216	2.3
275.10376	74.4
276.10724	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35117	1.9
59.01369	8.5
59.60675	1.9
69.24038	10.1
78.08895	1.9
98.22627	3.0
109.70930	1.7
116.92862	2.8
130.18549	2.0
178.11330	2.4
231.21216	8.2
275.20148	100.0
276.20486	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09839	3.5
69.11556	13.9
69.11962	5.6
87.24599	2.9
95.05725	3.1
98.44073	3.1
116.92820	4.2
130.48586	3.2
164.68300	3.1
231.21176	100.0
232.21620	4.8
275.20187	29.0
289.75552	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77934	42.7
70.09682	100.0
277.18228	46.6
277.21484	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32530	0.2
53.99282	0.2
60.81601	0.2
68.21342	0.2
69.37319	0.8
69.57227	0.2
77.75372	0.2
77.81297	0.2
78.95899	0.3
79.95731	0.9
96.96008	33.4
98.95558	0.2
132.99115	0.3
134.96135	0.5
134.97049	8.9
135.97122	0.3
136.94003	100.0
137.94087	4.8
151.58220	0.3
154.95160	0.3
176.98077	3.0
178.95052	2.3
189.22153	0.2
196.90817	0.6
198.81889	0.3
200.96059	0.3
209.69858	0.2
216.89664	91.1
217.89709	4.4
234.90720	22.5
235.90811	1.1
258.87582	0.3
276.88492	1.1
276.91769	2.3
276.98199	5.4
277.21683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79712	0.7
55.01893	1.0
57.03450	1.2
59.01380	100.0
61.20439	0.7
71.01378	6.5
73.02949	3.4
77.51822	0.7
80.96510	1.2
83.01403	1.9
85.02949	5.1
89.02424	1.1
95.01430	1.0
97.87490	0.7
99.00874	1.7
101.02442	6.6
113.02453	2.5
118.70204	0.8
121.02954	1.1
138.05594	1.1
141.10266	1.0
143.03378	0.8
145.01445	1.8
147.06644	3.0
148.05237	0.7
153.52945	0.9
161.04576	3.1
197.12965	2.2
228.71698	1.0
235.11880	12.6
237.35408	0.8
241.11909	4.6
277.07755	1.6
277.12842	1.5
277.16879	1.5
277.21725	26.9
278.22079	1.7
284.75958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91776	0.5
55.01868	0.7
59.01377	100.0
60.01718	1.0
68.67362	0.6
69.44778	2.5
71.01377	6.0
73.02940	3.0
82.08535	0.6
83.01394	1.5
85.02946	4.6
89.02482	0.9
96.96012	0.7
98.20090	0.6
99.00875	1.4
101.02441	8.9
113.02498	2.3
145.01503	1.5
159.83992	0.6
160.59859	0.6
161.04562	3.3
233.77182	0.6
235.11852	10.9
235.13965	0.9
259.19290	0.6
277.16864	1.3
277.21732	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1658
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
51.13794	0.4
52.73388	0.3
59.01388	1.2
69.67687	0.4
71.08110	0.3
103.02211	1.1
121.03264	3.0
133.59248	0.4
136.88220	0.4
146.99385	0.9
147.08473	3.8
149.00987	0.6
165.00426	10.9
166.00526	0.4
180.99965	0.5
189.04120	1.3
190.04832	0.5
191.05640	10.1
192.05692	0.5
205.07213	1.6
207.05103	0.4
217.07210	0.6
231.08722	1.5
233.10320	100.0
234.10481	5.9
259.15518	1.1
277.16562	93.2
277.21329	20.0
278.16690	6.5
278.21927	1.3
287.68457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1808
Annotation	Fenoksan
Peak:m/z	Relative Intensity
59.01377	0.9
60.18197	0.3
61.98820	0.6
65.53597	0.3
71.42970	0.5
86.49685	0.4
95.04985	0.4
96.37634	0.4
97.06530	0.5
111.06673	0.4
134.07353	1.2
134.89461	1.7
136.08920	1.3
149.09669	0.9
151.11276	19.7
152.11603	0.4
152.91756	1.0
163.11276	0.5
176.11960	0.5
177.12860	1.0
194.92734	2.0
194.95555	0.6
203.14331	0.4
205.15889	0.9
233.15511	0.5
233.19089	9.5
234.19414	0.6
241.79347	1.3
259.17010	6.4
277.18057	100.0
278.18420	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
75.98076	0.5
79.95721	0.7
121.02975	0.5
134.89435	0.9
185.18410	0.5
194.92732	0.7
194.95488	0.5
205.16016	1.0
214.20058	0.5
216.92059	0.4
233.15454	0.7
275.20145	1.4
277.18210	8.7
277.21695	100.0
278.22058	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01380	1.7
62.18280	0.3
62.70355	0.3
67.94496	0.3
71.01386	0.6
78.56575	0.3
83.05027	0.4
83.66877	0.3
217.78314	0.3
228.38765	0.4
233.22572	0.4
259.20270	0.3
262.12119	0.4
277.21704	100.0
278.22043	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Calendic acid
Peak:m/z	Relative Intensity
54.42603	5.3
64.93848	5.1
90.27374	5.1
105.46902	4.5
108.46899	4.8
109.53863	4.3
120.58796	4.9
149.91888	6.3
206.98093	4.6
209.22131	5.3
211.22597	4.9
231.21281	25.4
233.22719	55.9
247.20679	10.8
277.21713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01381	1.1
69.41702	1.8
69.42103	1.0
71.01369	0.6
98.22646	1.1
121.08932	0.5
217.48111	0.5
275.07632	0.6
277.21707	100.0
278.22015	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71169	17.3
59.01381	78.6
63.91235	14.4
69.73851	25.5
71.01384	43.3
73.02941	17.8
74.28674	15.3
85.02933	23.9
95.67104	14.9
98.22576	23.8
98.30648	15.5
101.02454	35.6
101.04299	52.4
108.18813	14.2
112.34773	15.6
113.02473	21.8
120.20098	13.7
121.02888	15.7
132.03012	56.7
134.89464	43.7
149.06430	93.6
161.04630	18.3
241.79427	21.3
277.21667	31.9
278.13507	24.7
278.22110	100.0
279.23206	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94298	16.8
59.01388	100.0
59.44770	18.2
61.98847	22.2
69.49660	28.4
69.49999	62.4
71.01382	67.1
85.02936	25.9
88.03994	19.5
89.02391	17.1
98.21870	18.8
101.02446	40.6
105.88631	18.6
111.17712	21.2
113.02446	36.2
131.07204	16.5
132.03001	39.3
133.93718	16.9
134.50905	19.6
161.04601	34.3
170.19661	23.0
190.05579	17.4
193.18727	18.6
201.13498	18.7
277.21829	21.2
278.22073	50.7
279.23352	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
57.03437	2.1
58.00592	1.1
59.01377	53.5
66.84690	1.0
69.57324	2.3
69.57708	2.8
71.01376	25.1
71.05017	7.8
72.99313	1.5
73.02956	2.1
82.02984	1.6
83.01379	1.5
85.02941	5.7
88.28762	1.1
89.02441	29.5
93.03499	1.2
95.01322	1.5
96.95998	2.7
98.21839	2.2
99.00924	1.3
99.04506	4.0
101.02437	14.8
101.06082	1.2
103.04006	1.7
103.92033	7.9
105.01908	1.5
110.02479	6.4
111.02003	8.7
113.02455	6.7
113.06065	1.7
116.07188	7.7
117.05570	54.2
119.03495	8.5
122.89427	7.1
129.01909	1.7
131.03490	1.2
138.93726	1.3
144.32050	1.2
147.06609	12.2
149.04552	1.9
152.03516	1.8
159.06602	1.6
173.04628	1.7
178.95100	1.4
180.94815	3.1
191.05611	1.9
195.05167	1.8
200.05663	5.2
207.68028	1.3
214.79716	1.3
243.06186	19.2
278.97546	1.2
279.04190	2.7
279.10837	100.0
279.23270	19.1
280.11166	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1963
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01363	1.5
63.10475	0.8
65.62943	0.8
69.31434	3.6
96.96008	2.3
98.22606	1.7
104.98273	0.7
111.08147	0.9
113.09718	8.1
134.89482	1.3
139.11282	2.9
153.09091	1.1
165.09207	1.2
177.12939	1.1
205.15962	1.2
214.88132	0.8
235.20628	2.6
243.17578	1.1
251.20151	31.6
252.20444	2.0
261.18588	12.8
272.85272	0.9
279.19608	100.0
279.22968	22.5
280.19955	6.8
280.22787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.72206	0.5
51.66640	0.6
54.86110	0.5
57.03438	0.6
58.83261	0.5
59.01374	1.8
61.79010	0.5
111.08150	1.2
113.09735	2.9
153.09271	0.6
157.08742	0.7
169.49600	0.6
177.12848	1.4
223.17033	4.9
227.92496	0.6
233.19272	0.7
235.17043	3.6
235.20651	4.2
249.87347	0.6
251.20160	16.2
252.20476	1.1
261.18594	10.0
262.18829	0.7
279.19650	100.0
279.23108	7.8
280.20050	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
53.03884	2.3
59.01369	6.9
66.94415	2.5
69.05103	16.3
73.68197	2.4
84.29913	2.3
104.31858	3.4
107.08658	15.4
120.31272	3.0
134.89511	6.5
136.89153	3.1
163.14790	2.7
171.10262	48.2
183.13908	3.5
185.11754	2.8
186.16588	2.2
193.34039	2.4
196.67198	2.6
217.19589	7.3
221.15469	9.4
235.16969	17.3
243.78983	6.5
261.18576	100.0
262.18900	5.7
268.20395	2.8
270.15973	2.9
279.16217	6.5
279.19632	70.3
279.23151	11.5
280.20016	4.4
301.07828	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
54.80132	1.2
59.01368	2.2
69.69517	4.3
72.72914	1.2
88.47052	1.1
91.02020	1.2
109.64320	1.2
134.89461	3.7
136.89189	1.8
169.99449	1.6
195.13901	11.8
223.13402	7.5
241.79373	2.2
243.78989	2.1
256.13177	4.7
261.18552	7.5
279.01575	1.2
279.19638	100.0
280.20056	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01353	2.9
71.18398	3.6
88.44476	3.0
134.89462	3.4
136.89084	3.9
161.59500	2.6
174.67366	2.6
177.12854	3.2
258.99994	2.9
279.23276	100.0
280.23541	5.6
303.07230	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.09555	0.6
69.93829	1.9
75.14022	0.6
98.33347	0.9
117.60737	0.7
121.10330	0.6
193.43767	0.7
274.74258	0.6
277.40927	0.6
279.23294	100.0
280.23642	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26662	0.6
55.01877	1.3
57.03450	3.2
59.01377	7.1
59.94056	0.6
69.81139	2.4
71.01390	2.4
71.51507	0.7
72.99301	3.0
73.02940	0.8
83.01378	2.4
84.78468	0.6
85.02950	1.4
87.00858	4.6
91.05525	9.9
94.42302	0.7
96.96013	6.0
98.21855	0.7
99.00880	31.5
101.02441	9.1
105.01939	2.8
117.01939	14.5
117.03460	1.3
119.05106	1.1
123.08184	0.9
125.09746	0.9
133.02972	1.0
134.03748	14.0
135.04555	3.2
145.01424	100.0
146.01762	1.8
149.06055	2.0
161.02551	0.8
163.02484	78.8
164.01241	0.8
166.09045	0.8
167.07777	0.7
178.02704	0.9
179.03510	1.9
181.05029	0.8
193.05057	17.6
193.06737	1.3
199.00836	0.8
201.11372	2.2
207.02995	2.1
223.02612	0.8
232.09930	0.8
237.11395	1.2
237.14903	1.4
251.01921	1.6
281.03372	5.7
281.06778	5.3
281.10379	2.4
281.13959	2.7
281.25037	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0878
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
57.03450	7.3
58.99602	12.6
59.01382	66.4
61.98827	4.3
69.17780	7.7
71.01382	47.9
72.99316	2.9
73.02952	3.1
74.99091	5.3
83.01369	3.0
83.95335	1.5
84.68092	1.3
85.02954	7.6
87.00889	6.5
89.02445	61.4
90.02808	1.4
93.03458	1.7
95.01361	2.1
95.93311	1.2
99.00880	2.1
101.02447	100.0
102.02777	1.8
103.03987	2.6
104.03505	1.6
108.02169	1.7
108.81624	1.4
109.02912	1.7
113.02477	11.9
119.03511	8.8
131.03525	2.5
133.01581	3.0
133.05090	20.7
134.36130	1.3
136.99181	3.1
143.03455	3.7
150.04224	7.8
153.01997	1.5
161.04535	5.7
179.05606	9.9
182.96992	6.6
183.01550	2.2
183.99977	8.4
199.01048	3.6
200.05499	1.4
221.06673	3.7
281.00711	1.9
281.10919	9.1
281.24829	1.6
282.08417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	100.0
59.01379	11.7
61.98830	93.1
63.96252	1.2
69.59332	1.2
69.59661	3.4
71.01369	1.6
72.29140	0.9
72.99290	3.9
74.99093	35.5
85.02953	1.6
87.00880	10.6
88.04066	1.1
93.84881	0.9
98.22614	1.9
106.37901	0.9
108.02161	3.2
109.02924	2.2
117.97296	1.3
134.03726	1.2
135.98367	3.1
136.99146	20.5
144.03093	2.1
147.01224	2.6
153.01909	3.3
157.06873	1.5
193.05011	3.5
193.09024	2.3
218.10277	2.5
263.09549	2.1
281.07660	1.9
281.10648	52.7
281.24908	4.7
282.10931	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78919	0.5
56.98027	0.8
58.99600	100.0
59.01374	5.9
62.23653	0.5
63.96230	1.1
68.24598	0.5
69.96860	1.4
70.40913	0.6
71.01383	1.0
72.99292	3.3
73.98309	0.7
74.99091	29.8
80.82671	0.6
85.01164	4.6
87.00872	11.2
96.96027	0.9
109.02952	0.8
117.97294	1.5
134.03737	1.0
135.98366	3.1
136.80452	0.5
136.99138	18.9
137.00162	1.2
144.03067	0.7
147.01230	3.5
164.04744	0.8
175.07974	0.6
184.67940	0.5
193.05069	1.5
193.09010	3.7
263.09570	2.4
281.10641	44.3
281.24777	4.8
282.10999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85148	0.5
55.73261	0.6
55.97980	0.5
56.98028	0.6
58.99601	100.0
59.01371	7.8
61.98828	23.7
61.99082	0.5
63.96238	1.9
65.66966	0.5
66.37707	0.6
71.01380	1.2
72.99306	4.4
73.98298	1.1
74.99093	37.1
75.78180	0.5
87.00875	10.4
88.04038	0.6
92.05024	1.2
99.02735	1.2
101.02454	0.8
108.02161	1.5
109.03020	0.8
117.97311	1.3
135.98373	2.5
136.99139	20.3
144.03035	1.5
147.01228	3.5
152.01132	1.0
153.01944	1.3
157.06943	1.7
175.07951	1.1
193.05016	1.6
193.09018	2.2
218.10301	0.7
263.09540	2.7
281.10657	49.9
281.24811	5.5
282.10980	1.3
286.84430	0.6
293.23871	0.6
294.78009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60273	4.1
59.01108	7.2
59.01380	75.1
64.98265	4.1
69.86945	10.0
72.99316	5.2
75.00867	4.6
76.89200	4.4
79.95716	6.0
80.96545	7.8
83.05016	8.3
86.36137	4.6
93.03441	4.4
95.04985	4.7
96.95993	8.9
98.21931	4.9
99.00858	7.4
101.02472	4.6
109.02898	9.8
109.06586	5.4
119.04940	5.1
133.02924	12.3
135.04532	36.6
145.01483	4.7
145.02957	8.2
161.02464	28.8
165.12733	4.5
179.03477	24.8
188.58183	4.6
201.11308	87.3
205.12361	5.2
207.07022	6.9
209.06027	4.5
209.11836	100.0
210.12212	7.8
219.13889	18.8
221.11833	6.3
225.11247	4.6
227.12891	74.4
235.13322	14.4
237.11304	5.0
245.11792	8.0
245.13954	99.5
246.14330	4.5
253.14359	16.1
263.12845	30.3
265.04950	6.2
266.05811	38.3
267.06503	6.9
281.06540	22.9
281.13956	70.1
281.24817	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20176	0.5
57.95547	0.4
58.99594	2.6
59.01379	100.0
60.01734	0.7
60.99175	0.6
61.98836	3.0
70.22161	1.4
71.01375	2.5
71.42160	0.5
73.02945	0.7
74.99097	1.2
82.61714	0.5
85.02951	1.4
87.00889	0.9
96.96046	0.8
99.00858	0.6
101.02460	2.1
108.02198	1.7
108.93776	0.6
109.02968	1.0
113.02461	0.5
131.47281	0.5
135.03131	3.2
144.03085	1.5
147.04559	1.6
147.06674	1.3
147.95526	0.5
147.96634	2.0
150.04303	0.9
152.01250	0.9
153.01987	2.3
161.04576	1.7
164.07196	3.1
192.99522	0.6
195.02985	0.6
196.67729	0.5
199.59566	0.5
200.19354	0.5
214.96170	0.5
221.10271	2.8
244.95876	0.8
274.85889	0.5
281.03302	0.8
281.08740	1.5
281.11469	2.1
281.24835	3.7
282.03867	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12846	1.4
57.03433	2.2
57.38806	1.3
59.01379	100.0
61.86930	1.3
63.14407	1.3
69.28135	2.6
69.28522	3.8
69.52103	1.2
70.04910	1.3
71.05028	3.9
73.02946	3.5
77.69345	1.4
81.03458	2.5
86.65153	1.4
87.00872	19.9
95.05032	1.8
103.63833	1.4
107.05017	3.7
120.05827	4.1
127.16685	1.8
143.32275	1.4
146.07323	1.9
159.11807	3.3
161.09705	27.8
161.13362	6.4
177.93866	1.4
187.11292	56.1
188.11552	1.6
189.09210	9.1
205.12291	5.7
219.13908	18.7
221.11893	2.1
249.11281	1.8
267.12167	1.6
281.14230	7.5
281.17371	3.3
281.21164	9.2
281.24286	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31660	1.0
53.94625	0.9
54.41674	1.0
57.03464	1.2
59.01378	100.0
61.98812	1.0
66.32231	0.9
70.20332	2.5
71.05021	3.9
73.02925	4.7
79.94791	1.0
85.92083	1.1
87.00872	19.0
92.44431	1.0
93.03416	1.3
95.05006	1.7
97.06592	1.8
107.05010	3.7
113.06116	1.4
117.57951	1.3
120.05783	3.8
121.06601	1.6
121.39231	1.1
132.26419	1.1
135.04501	3.0
143.07127	1.6
146.07332	1.7
157.06616	1.4
159.11743	3.0
161.08429	2.1
161.09706	29.6
161.13354	9.5
162.10052	2.0
165.09171	1.2
171.10287	1.2
185.09708	1.6
187.11282	54.9
188.11594	3.2
189.09230	10.6
193.12511	1.3
195.14125	1.2
199.13426	1.2
203.10776	1.2
205.12289	7.3
219.13914	20.8
220.14095	1.4
221.11884	2.7
237.14886	1.3
249.11365	2.3
251.16515	1.2
263.16528	4.3
267.12204	2.1
281.14386	8.1
281.17130	7.7
281.20459	1.9
281.24823	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01873	2.1
55.25705	1.0
57.03445	13.3
59.01373	7.3
65.03957	2.0
68.91425	1.0
69.03446	1.0
69.32859	3.3
71.05009	2.0
81.03448	1.4
83.05019	12.9
85.02986	1.4
87.00870	16.9
91.05544	1.3
93.03464	1.6
95.05013	4.3
96.55463	0.9
96.96007	2.0
97.02934	1.4
99.00879	2.9
101.02474	1.8
105.01925	1.5
109.02987	1.0
111.04515	4.2
111.08150	3.6
112.82021	1.0
117.01929	2.1
119.08678	1.5
121.06586	7.7
123.08158	34.0
124.05293	3.2
124.08488	1.3
125.09726	1.1
134.03735	3.9
135.04507	1.4
135.08160	2.0
137.06180	1.3
137.09697	3.9
138.06866	1.5
139.07657	5.5
145.01443	15.7
145.10201	3.2
151.07634	4.4
153.09184	3.7
163.02477	9.8
165.09142	1.4
169.08751	2.2
169.10127	2.4
171.11786	36.1
172.12083	1.7
178.02795	1.3
179.03493	1.4
189.12866	12.3
193.05026	4.4
201.12877	11.8
207.13870	6.9
219.13869	7.3
234.11545	1.0
237.14949	52.0
238.15317	3.1
244.80077	0.9
258.41165	1.1
259.08615	1.0
260.47937	1.0
275.05020	1.0
281.13922	100.0
281.24774	2.9
282.14340	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2124
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
59.01382	3.9
60.89436	0.6
69.51997	2.7
71.05031	0.6
72.17428	0.7
86.40270	0.6
91.57006	0.8
99.08181	2.1
134.43039	0.6
143.07179	1.0
177.12866	0.8
179.14372	1.2
195.13898	17.5
195.15703	1.0
237.99377	0.9
263.20117	18.0
268.10843	0.7
281.21222	100.0
282.21588	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
57.53728	0.4
64.08155	0.4
71.20708	0.5
79.50035	0.4
129.35129	0.4
280.05899	0.5
281.24854	100.0
282.25150	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01377	2.5
61.98849	0.2
66.00982	0.6
69.76317	0.2
69.76631	0.4
82.04105	1.0
93.79042	0.2
98.22218	0.5
98.99370	0.2
99.75614	0.2
101.00964	0.2
101.02425	0.2
107.03641	4.1
108.02038	8.3
126.03095	4.6
127.03423	0.2
130.08713	0.8
133.01559	28.9
134.01881	0.5
140.70221	0.2
141.00436	0.6
150.04208	100.0
151.02701	0.3
151.04636	1.8
151.11060	0.2
151.78563	0.2
153.01920	0.3
164.05746	0.2
184.00992	0.9
201.02538	2.0
282.08420	30.6
283.08728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79342	0.5
59.01378	100.0
61.98832	8.6
71.42455	0.7
78.95349	0.7
98.51076	0.7
110.92677	0.8
112.92307	3.8
121.02965	1.3
121.42140	0.6
134.89468	1.0
138.92093	0.9
138.94571	1.1
139.94249	4.5
140.91827	5.1
140.94266	1.2
141.93973	0.9
141.98964	1.1
141.99980	13.1
142.30150	0.6
152.93709	1.0
154.93335	4.5
157.03572	5.8
159.01477	3.4
179.73737	0.7
181.95242	2.0
182.95416	0.9
184.01038	4.1
201.02547	95.3
202.02678	6.1
223.08205	0.9
246.14273	0.7
282.25009	1.1
282.95551	2.6
283.26431	19.0
284.01126	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.061
Annotation	Biochanin A
Peak:m/z	Relative Intensity
50.97299	0.3
59.01363	0.5
63.02370	1.1
63.38217	0.3
65.00324	0.4
69.27188	1.8
83.01377	0.9
98.22596	0.7
107.01368	1.8
114.98502	0.3
117.03482	0.5
148.01662	0.6
149.02063	0.3
149.99487	0.8
151.00380	3.2
169.01398	0.3
171.04477	0.4
172.05269	0.7
183.89641	0.3
184.05283	0.4
186.65082	0.3
195.04440	0.5
196.05330	0.7
200.04726	0.7
211.03970	1.6
212.04752	1.0
239.03502	3.5
240.04227	4.3
251.54807	0.3
267.02866	2.0
268.03751	100.0
269.04056	5.3
283.06104	81.9
283.26443	1.3
284.06436	5.0
289.01163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Acacetin
Peak:m/z	Relative Intensity
59.01400	0.2
63.02391	1.2
65.00040	0.2
65.00340	0.6
69.13042	1.3
83.01392	0.9
98.21809	0.4
100.79836	0.2
107.01406	2.3
117.03472	0.5
132.02299	0.3
148.01622	0.7
149.99564	0.8
151.00385	2.9
152.91481	0.2
158.03763	0.3
171.04488	0.5
172.05296	1.1
183.04510	0.3
184.05315	0.5
191.02222	0.3
195.04546	0.6
196.05258	1.0
200.04762	0.8
211.04021	1.7
212.04747	1.2
239.03474	3.6
240.04247	4.7
241.04457	0.2
244.35750	0.2
265.18167	0.3
267.02972	1.7
268.03757	100.0
269.04095	5.5
283.06107	74.1
283.12610	0.6
283.18915	1.0
284.06418	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49322	1.7
59.01378	45.9
61.98828	100.0
69.92627	5.0
71.01381	18.6
72.00921	3.5
74.02466	4.5
75.00871	46.8
78.65438	2.0
85.02952	5.0
89.02444	21.1
101.02451	13.0
103.00368	63.4
104.03532	34.2
105.01920	18.0
106.61842	1.9
108.02167	10.4
109.02957	8.2
110.98515	2.8
113.02390	4.4
113.07274	1.9
118.48410	2.0
119.03498	6.7
121.05064	6.2
128.03604	2.3
150.04268	2.2
151.06094	3.4
152.01170	6.4
153.01926	11.0
161.04584	7.0
164.98067	1.7
168.31122	1.9
179.05606	3.1
183.99345	4.6
185.02106	3.1
223.08247	5.9
232.40645	2.2
256.70709	1.9
283.04507	4.5
283.10422	11.2
283.26288	4.2
303.45493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
50.54539	0.8
50.84937	0.9
56.92679	0.8
57.03445	2.6
59.01379	38.5
69.03454	2.1
69.61335	3.4
69.64599	0.8
71.05016	1.3
78.92827	0.9
82.88062	0.9
98.21967	1.5
108.04202	0.8
109.06576	1.0
112.02814	1.1
137.89471	0.9
167.10776	3.5
177.16435	1.0
179.10811	0.9
179.14461	6.1
189.00888	0.8
192.25426	0.8
195.13895	12.4
195.17416	0.9
205.12318	11.7
206.12427	0.9
221.15445	43.5
222.15842	1.2
223.13376	95.0
224.13695	5.5
239.16515	35.9
240.16917	2.3
260.75983	0.9
265.14417	13.9
266.14789	1.0
283.15497	100.0
283.26288	3.0
284.15802	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.6
61.88979	0.4
66.92329	0.3
69.59128	1.0
71.01387	2.1
85.02892	0.3
87.00906	0.7
89.02441	2.2
96.96012	2.0
97.06608	0.3
98.21832	0.7
100.02298	0.3
101.02469	0.7
102.98639	0.6
113.02518	0.5
119.03502	0.8
202.71910	0.4
209.11874	1.5
223.13420	0.5
239.13049	0.4
255.02982	0.4
283.08878	0.7
283.11923	0.9
283.15604	1.4
283.26480	3.2
284.03503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01373	0.3
64.72469	0.2
66.37407	0.2
69.14999	1.6
75.19386	0.3
106.04226	0.3
107.05028	96.6
108.05331	2.3
114.95990	0.2
123.04509	0.5
135.39194	0.2
147.08163	0.3
148.49640	0.3
163.11282	100.0
164.11617	3.7
166.92404	0.3
175.49977	0.2
201.46820	0.2
203.72617	0.3
283.17020	88.4
284.17358	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1915
Annotation	Secoisolancifolide
Peak:m/z	Relative Intensity
59.01357	2.6
70.52650	2.6
70.52979	2.1
71.05015	16.1
89.91036	1.9
107.05035	3.5
109.14857	1.7
131.70331	1.8
160.14632	1.6
163.11278	4.2
167.14420	25.3
169.50586	2.0
211.13408	35.3
229.14471	36.8
241.18079	100.0
242.18407	4.5
268.03595	3.0
283.19098	57.7
283.22668	15.1
283.26306	9.4
284.19412	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13882	0.4
59.01377	5.5
61.98824	1.8
69.35529	2.1
75.15029	0.5
98.00989	0.6
99.98902	4.4
134.89456	0.7
139.94260	1.0
140.02039	1.5
141.99959	100.0
142.87529	0.6
143.00075	3.9
180.92212	0.4
181.95245	0.6
184.01006	31.6
185.01111	1.7
199.98932	0.6
202.02773	4.8
203.02312	1.8
242.00093	2.1
266.41418	0.5
283.26443	3.5
284.01114	48.9
284.26691	0.9
285.01227	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96823	0.5
52.81025	0.5
59.01382	21.2
60.01707	1.6
61.98820	1.0
85.02939	0.6
91.13258	0.7
98.00977	0.8
98.99397	0.8
99.98912	5.1
101.00949	1.5
108.02170	9.8
109.02972	3.2
113.07191	2.7
117.00437	1.8
119.04993	1.9
120.99659	2.5
122.03740	0.7
123.04523	1.4
133.01521	0.8
137.63643	0.6
140.02057	2.5
141.00441	2.4
141.99965	100.0
143.00101	5.5
143.01997	1.2
150.04228	1.1
151.03842	0.6
152.01158	5.4
153.01976	4.7
180.11433	4.1
184.01022	31.5
185.01164	2.0
185.02907	0.8
186.00818	0.8
198.12506	3.7
201.02551	1.7
202.02763	12.7
203.02341	2.6
216.07417	0.8
229.04469	0.6
242.00192	1.6
266.11490	2.2
283.26398	11.2
284.01163	46.3
284.09564	1.0
284.12524	4.6
284.15680	1.0
284.26813	2.5
285.01291	5.4
285.06171	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64057	0.3
59.01384	2.4
71.01355	0.4
71.44320	0.3
73.02935	0.5
78.03082	0.3
78.91964	0.3
83.04984	0.4
84.00903	4.5
85.02936	0.5
86.02509	0.5
96.00908	0.4
96.90859	0.3
97.01673	0.4
97.02937	0.5
98.02481	3.2
111.03260	2.4
112.04028	1.4
121.02917	0.4
123.08123	0.6
125.09736	0.7
133.77975	0.3
137.05937	0.3
141.03212	0.7
141.04321	14.7
141.09196	1.4
142.05038	1.2
142.06114	0.3
151.11295	0.8
156.72382	0.3
161.09731	0.4
163.11285	0.4
169.12325	1.3
176.98158	0.3
178.12305	0.6
179.10742	2.0
185.11923	0.4
194.11806	0.8
196.13437	8.5
197.11931	0.8
197.13657	0.5
199.09776	0.4
207.10268	0.7
210.15005	1.4
213.11288	0.4
222.11336	3.1
222.14833	0.4
223.09792	2.1
223.13345	0.3
225.11378	0.5
227.03523	2.0
233.51180	0.3
236.12808	0.5
240.12396	10.7
240.16054	0.4
254.13934	3.9
255.03012	2.5
256.03412	0.5
258.27701	0.4
266.13983	2.9
270.01514	0.8
283.26392	0.5
284.03311	2.6
284.15024	100.0
284.26932	0.9
285.03961	2.0
285.15350	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.95753	0.2
59.01364	0.4
63.02398	0.8
65.00322	2.6
69.06721	0.2
69.07021	1.9
70.70628	0.2
73.02937	0.6
73.33189	0.2
81.03467	0.3
83.01382	1.7
95.05046	0.3
105.03474	0.6
107.01383	5.0
121.02965	0.8
132.02179	0.4
133.02954	25.6
134.03336	0.6
149.02429	3.8
151.00366	8.2
157.06540	0.3
171.04520	0.7
175.04016	4.9
181.12309	0.7
185.06065	0.4
197.06078	0.4
198.03267	0.8
199.03978	3.4
201.01920	1.3
211.04033	0.3
213.05531	0.6
215.03568	0.5
217.05048	2.4
223.04022	0.3
223.13458	0.5
229.05083	0.5
240.04384	0.4
241.05090	1.9
241.14449	4.5
243.02975	1.0
267.03165	0.6
285.04031	100.0
285.16653	1.2
286.04379	6.7
308.51120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
69.75195	1.2
70.09055	0.5
87.61973	0.5
108.02167	100.0
109.02995	15.0
121.02926	1.0
123.04519	1.3
133.02951	1.1
135.00874	0.7
151.04027	1.4
152.01146	62.3
153.01933	30.6
154.02266	0.7
163.04010	1.0
165.01921	0.7
285.06140	73.2
286.06506	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01360	0.8
61.98831	1.3
64.74771	0.4
69.83725	0.9
70.87148	0.5
73.02902	0.5
74.25871	0.4
75.00857	0.9
81.03465	0.9
104.03563	1.1
104.32572	0.4
104.33295	0.4
105.01929	11.4
108.02169	100.0
109.02981	15.3
122.03722	0.6
123.04528	1.0
133.02977	0.7
135.00929	0.9
151.04018	1.3
152.01149	65.8
153.01935	31.1
154.02275	1.0
163.03981	1.0
165.01962	0.9
172.32840	0.6
254.84784	0.5
272.19537	0.4
285.06140	69.2
286.06509	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Moracin A
Peak:m/z	Relative Intensity
59.01347	0.4
63.02400	4.0
64.27808	0.2
65.00326	4.2
66.86149	0.3
69.32804	1.4
80.02679	1.1
83.01389	4.5
98.22678	0.5
107.01385	7.1
108.02180	8.6
119.05070	0.4
121.02977	0.7
123.00845	0.5
136.01662	13.2
138.88545	0.3
151.00380	10.3
156.05797	0.4
159.04520	0.8
160.05362	0.5
164.01155	30.9
165.01508	0.7
169.01379	0.5
175.07663	2.9
177.01942	1.0
182.65294	0.3
183.04533	0.6
186.03217	1.2
187.03882	0.7
196.00133	3.7
197.06111	0.3
198.06754	0.8
199.07680	1.2
200.04774	1.0
201.05626	1.6
215.07143	0.6
217.08696	1.1
226.06253	0.6
227.03444	0.8
228.04295	1.3
241.08696	1.1
241.18176	0.4
243.06599	6.9
269.04681	0.5
270.05368	4.3
285.07687	100.0
285.20453	1.4
286.08057	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64587	0.9
55.48210	0.8
59.01362	3.0
61.98828	7.1
71.42737	0.9
72.00891	0.7
72.99297	3.0
74.02476	1.5
75.00864	8.7
87.00841	1.1
103.00364	4.8
104.03519	5.6
105.01933	100.0
106.02246	1.6
108.02191	9.5
109.02950	1.4
115.00376	1.4
118.45374	0.8
119.66653	0.8
131.04602	2.2
152.01155	5.4
153.01891	2.3
168.66188	0.8
254.84189	0.8
285.06293	4.5
286.01794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85282	1.0
59.01382	8.8
61.98826	2.3
66.97334	1.2
69.71085	3.8
72.00905	8.1
74.02473	12.7
74.33665	1.1
93.03461	2.6
96.96967	5.8
98.22573	1.5
105.01843	1.5
108.02162	24.4
109.02956	42.0
116.05060	37.8
116.07163	1.1
117.05379	1.3
123.04512	4.9
129.05768	1.1
130.06628	11.1
137.02505	5.2
142.06606	12.3
148.02066	1.4
152.01158	18.1
152.91544	1.3
153.01923	45.3
159.09258	9.5
167.03055	1.1
186.05544	1.5
202.98717	3.3
203.08257	100.0
204.08574	4.3
217.00450	1.5
225.06442	66.1
226.06688	2.2
235.56889	1.2
284.26651	2.9
285.06110	45.1
285.08673	3.0
285.13339	1.5
286.18094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82395	0.5
58.00599	0.6
58.02969	0.7
59.01379	100.0
62.93798	0.4
64.98714	0.5
66.50198	0.4
68.89093	0.4
70.02989	1.5
70.06023	1.1
71.01379	22.3
72.99297	0.8
73.02996	0.6
81.43163	0.5
83.01428	0.7
83.05035	2.9
85.02950	3.9
85.69517	0.4
87.00853	1.1
89.02442	32.9
94.23456	0.4
95.01399	1.5
96.00938	1.9
98.02473	2.9
101.02439	8.7
102.68861	0.5
109.02956	0.6
113.02442	8.9
114.05601	0.5
114.59467	0.6
115.05993	0.5
116.84171	0.5
119.03497	10.8
119.04982	1.0
120.99624	2.3
123.04507	0.7
124.77792	0.4
131.03517	1.7
138.16742	0.5
143.03517	1.8
149.04594	1.2
161.04541	2.8
170.11871	6.4
171.35912	0.5
179.05589	7.3
180.13965	2.3
182.11932	0.9
197.11781	0.6
198.15077	2.1
206.11980	0.8
224.12880	3.0
225.16040	8.4
241.15564	7.8
241.17906	0.7
250.10913	3.4
268.11899	0.6
285.09827	0.6
285.14551	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82395	0.5
58.00599	0.6
58.02969	0.7
59.01379	100.0
62.93798	0.4
64.98714	0.5
66.50198	0.4
68.89093	0.4
70.02989	1.5
70.06023	1.1
71.01379	22.3
72.99297	0.8
73.02996	0.6
81.43163	0.5
83.01428	0.7
83.05035	2.9
85.02950	3.9
85.69517	0.4
87.00853	1.1
89.02442	32.9
94.23456	0.4
95.01399	1.5
96.00938	1.9
98.02473	2.9
101.02439	8.7
102.68861	0.5
109.02956	0.6
113.02442	8.9
114.05601	0.5
114.59467	0.6
115.05993	0.5
116.84171	0.5
119.03497	10.8
119.04982	1.0
120.99624	2.3
123.04507	0.7
124.77792	0.4
131.03517	1.7
138.16742	0.5
143.03517	1.8
149.04594	1.2
161.04541	2.8
170.11871	6.4
171.35912	0.5
179.05589	7.3
180.13965	2.3
182.11932	0.9
197.11781	0.6
198.15077	2.1
206.11980	0.8
224.12880	3.0
225.16040	8.4
241.15564	7.8
241.17906	0.7
250.10913	3.4
268.11899	0.6
285.09827	0.6
285.14551	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
64.56136	0.6
70.92145	0.6
72.99345	0.7
123.04542	1.8
127.00393	3.8
155.97809	0.7
163.11264	0.9
181.12341	90.0
182.12685	4.6
183.10254	1.5
197.11818	0.8
197.58177	0.8
205.12312	2.0
209.11800	1.0
211.13475	0.9
223.13483	1.0
225.11322	12.5
243.12317	1.9
285.04004	2.5
285.07724	1.3
285.13770	5.2
285.17023	4.6
286.16553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
59.01382	2.0
63.02370	0.9
65.00327	2.2
71.01364	0.7
72.02172	1.2
72.70276	0.2
73.02940	1.3
78.38515	0.2
81.03452	0.4
83.01386	1.6
83.05043	0.4
84.58108	0.3
85.02954	0.3
98.03747	0.5
105.03455	0.8
107.01392	5.2
121.02954	1.1
123.04509	0.7
125.09715	0.4
132.02174	0.6
133.02963	24.0
134.03300	0.9
143.05060	0.4
145.02892	0.4
147.04620	0.4
149.02452	3.1
151.00372	8.0
153.12836	2.0
169.06659	0.3
169.12349	2.0
169.15939	0.4
171.04529	0.6
173.02429	0.3
175.04012	5.4
179.14363	0.5
181.12360	4.6
182.03754	0.3
185.06076	0.5
185.11797	0.4
189.05597	0.3
195.13838	0.5
197.06099	0.5
197.11829	0.5
197.15398	0.4
198.03204	0.7
199.04001	3.8
201.01955	1.5
205.12424	0.3
209.11800	0.6
211.03944	0.5
211.13391	0.8
212.04871	0.3
213.05568	0.7
215.03519	0.7
217.05026	2.5
223.03989	0.4
223.13393	5.5
227.59242	0.3
229.05130	0.3
239.03473	0.4
240.09727	0.2
241.05052	1.5
241.14452	46.2
242.02184	0.3
242.14890	1.9
243.03003	0.8
257.04562	0.4
267.02911	0.5
270.04453	0.4
285.04047	100.0
285.17020	4.1
286.04413	7.4
286.07571	0.4
286.17310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	7.7
59.01379	100.0
68.01411	1.1
69.49031	2.5
70.02975	7.5
71.01391	2.5
72.00938	1.0
81.03467	1.1
82.41953	0.7
83.05018	4.5
84.38357	0.5
85.02950	0.7
89.02463	2.2
96.00932	2.6
96.04572	0.8
98.02475	3.6
101.02445	0.7
108.02162	3.6
109.02989	0.9
113.02463	0.6
114.05605	0.6
119.03575	0.8
119.05046	1.9
120.99662	3.0
123.04546	2.0
150.22498	0.5
152.01180	2.2
153.01964	1.5
153.09158	1.0
170.11876	37.7
171.12215	1.2
180.13956	14.1
181.14465	0.8
182.11847	6.1
196.13518	0.8
197.11824	3.6
198.15005	15.7
199.15292	0.6
206.11920	2.2
212.68599	0.7
224.12912	15.8
225.16093	11.4
226.16466	0.8
241.15581	58.3
242.15970	2.3
250.10838	3.7
267.13550	1.2
268.12085	0.9
285.06223	2.1
285.09592	1.3
285.14600	20.7
286.14774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
59.01379	100.0
60.01717	1.1
62.43211	0.3
71.01410	0.6
75.71666	0.3
80.71475	0.3
85.02897	0.4
93.03469	0.7
98.22709	0.7
101.02424	0.4
105.25184	0.3
107.87062	0.3
108.02166	0.9
110.06144	1.0
122.06129	0.7
123.04528	1.4
130.08752	1.0
134.03784	0.5
144.04611	0.5
158.75282	0.3
173.04689	0.8
173.07246	0.5
179.10912	0.6
183.15045	1.7
185.16658	0.4
225.17249	3.7
267.11942	0.5
285.04025	0.6
285.09653	0.4
285.13141	1.1
286.13165	0.4
286.17801	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03450	0.9
59.01375	1.7
66.07870	0.6
69.21081	0.5
69.93507	0.4
80.17494	0.4
94.15313	0.5
96.14641	0.5
98.04223	0.5
123.04519	0.8
151.38492	0.6
167.64722	0.5
174.99265	0.6
175.44249	0.5
202.94189	0.8
202.98753	1.8
220.51434	0.5
223.20660	58.0
224.21028	3.1
241.21710	1.8
267.19638	34.0
268.20026	2.3
285.04037	1.9
285.20706	100.0
286.21005	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01385	1.5
61.98806	0.7
70.02974	1.1
71.42104	0.9
74.06123	1.1
77.58311	0.7
83.75736	0.8
84.64418	0.7
87.57304	0.8
109.60274	0.8
117.07091	3.4
126.92770	0.7
240.23344	3.1
242.21291	1.6
243.10240	2.5
243.17404	1.1
283.05005	0.8
286.07230	2.0
286.23868	100.0
287.09311	2.4
287.16354	5.7
287.24438	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.1
59.01379	7.5
69.47450	3.0
77.64157	0.9
82.02974	3.3
83.64951	0.9
92.05064	29.8
96.95975	1.2
108.02164	1.1
110.92393	0.9
111.08188	1.4
113.99586	1.9
125.02466	1.5
125.06122	0.9
128.03540	10.2
132.04568	2.2
136.04057	1.7
139.07637	1.1
141.69621	0.9
150.01724	71.6
151.02081	1.0
168.01469	2.5
168.02780	9.2
173.07217	2.7
174.01685	10.2
175.08765	1.9
176.03365	1.3
183.06610	4.3
185.07166	2.6
200.07259	1.2
212.01720	3.6
213.06444	1.1
225.06419	16.3
228.20386	0.9
243.07483	25.0
243.16335	1.2
287.06488	100.0
287.15100	2.9
288.06870	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14653	2.1
59.01377	74.4
61.98831	20.3
62.80748	2.4
69.55521	7.9
74.02435	2.9
82.02966	2.5
87.05620	2.4
101.00974	7.4
115.02514	4.2
117.00440	99.6
118.00566	4.3
119.44824	2.4
125.02451	21.5
128.98663	2.3
130.08717	25.3
131.08257	5.9
141.00487	4.1
141.40559	2.4
141.99969	3.9
143.00169	14.2
143.01997	5.9
143.03568	2.9
143.99719	9.6
144.97408	19.2
144.99928	100.0
145.09808	35.1
145.99471	10.5
152.98451	2.7
156.99924	4.8
159.01486	61.5
168.01550	14.4
168.99968	3.5
173.09303	8.1
174.99538	3.3
185.01453	2.7
186.98434	7.7
187.00931	35.9
201.02588	3.4
210.02637	6.9
217.00589	8.0
241.05846	2.8
243.02187	4.3
244.13123	4.6
244.99982	5.0
245.09962	2.5
259.01587	38.4
260.01776	5.1
286.98148	3.7
287.01102	78.7
287.05881	5.3
287.11401	16.4
287.19250	4.4
288.01184	15.1
288.04895	2.4
288.07718	15.6
288.10849	4.8
288.15567	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0924
Annotation	IRIFLOPHENONE TRIMETHYL ETHER
Peak:m/z	Relative Intensity
59.01383	0.3
69.85465	0.5
69.85805	0.2
79.13145	0.2
96.96004	4.7
98.21976	0.3
99.61734	0.2
141.43410	0.2
148.07668	0.5
161.02469	0.3
162.02313	0.5
172.05298	1.1
173.05963	0.5
175.03937	0.4
180.05661	0.3
184.05399	0.2
185.06079	0.8
186.06853	0.8
187.04030	0.3
189.05582	0.4
196.05333	0.4
197.06067	1.6
198.06845	0.8
199.04048	0.2
199.07645	3.5
200.08426	3.4
203.07121	1.2
212.04791	1.4
213.05498	0.7
215.03577	0.3
227.03581	2.3
227.07124	2.7
228.04013	0.2
228.07794	0.6
229.05049	1.3
230.05792	0.9
231.06526	0.5
237.05582	0.4
240.04251	7.7
241.05038	3.7
242.05556	0.4
243.02995	0.8
243.06528	0.5
255.06615	15.0
256.07004	1.0
257.04590	0.9
257.08163	1.1
258.05295	3.0
259.05969	0.5
259.09686	0.6
272.06967	1.1
287.09244	100.0
288.09586	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76045	0.1
56.36208	0.1
60.36562	0.1
63.31070	0.1
69.63528	0.3
73.49746	0.1
79.95737	1.0
96.96007	100.0
97.95925	0.2
98.22577	0.3
108.14781	0.2
108.15690	0.2
114.85362	0.1
122.29599	0.2
151.03700	0.1
182.34059	0.1
192.94589	0.1
194.01151	0.2
198.31583	0.2
217.44609	0.2
287.09555	2.1
304.69724	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78584	0.1
57.59208	0.1
58.72502	0.1
58.94500	0.1
70.85203	0.1
70.89105	0.1
79.95731	0.9
96.96011	100.0
97.95957	0.2
106.03041	0.1
163.11237	0.2
197.11824	0.3
202.33554	0.1
287.09583	5.7
288.09851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
59.01375	12.9
61.98827	8.6
71.01402	1.3
71.05009	1.2
73.02944	6.7
75.00864	1.7
82.84290	0.9
83.01384	91.1
96.96010	95.3
97.02975	1.0
97.06554	1.1
98.22627	2.3
107.27907	1.0
108.88622	1.0
125.09694	1.3
136.05315	4.4
146.44691	1.0
165.12813	1.2
171.10257	2.2
178.63248	1.1
185.11827	95.2
186.12186	3.7
189.12868	1.9
199.13390	2.2
207.13896	14.3
209.11850	1.2
211.13409	2.8
225.11539	1.3
225.15024	6.1
227.12877	11.3
229.14468	1.4
233.11809	11.6
251.12889	100.0
252.13220	4.4
269.13956	11.3
287.06409	1.7
287.10199	6.4
287.15018	71.4
287.18491	7.7
288.15372	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.96246	0.2
57.03474	0.2
59.01352	0.3
67.26598	0.2
69.85976	0.2
71.06050	0.2
92.06415	0.2
99.08169	1.6
106.43942	0.2
129.09219	0.7
139.11287	0.3
141.12874	2.1
149.67126	0.1
155.14413	0.5
166.53287	0.2
195.72519	0.2
201.67717	0.2
211.20525	0.4
239.20166	0.3
241.21689	0.5
243.17554	0.3
269.21170	3.2
270.21579	0.3
285.20685	2.0
287.22272	100.0
288.22629	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03452	4.2
57.75276	0.7
59.01369	2.1
61.98786	0.7
69.65221	1.3
69.65604	1.1
71.01369	0.7
84.02145	1.4
85.02952	4.5
98.22567	1.0
100.16537	0.7
109.04070	0.7
124.54684	0.7
181.15958	1.1
183.17529	16.3
184.17892	1.0
185.57967	0.6
211.20689	9.3
221.19112	1.9
223.20601	5.9
239.20189	3.0
241.21721	21.5
242.22043	1.7
287.22256	100.0
288.22580	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0765
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01378	8.3
63.31404	0.3
69.89926	1.1
74.02473	0.7
78.09116	0.4
82.06620	0.4
90.97134	1.0
98.13528	0.4
99.17543	0.3
110.02496	0.6
111.02067	0.3
117.00421	0.4
128.07222	0.6
129.10287	0.4
130.08736	100.0
131.09071	2.8
132.98201	2.2
141.98206	0.7
144.99904	0.4
160.97691	1.0
174.99228	0.8
184.97676	0.4
187.98715	0.6
195.75874	0.3
202.98782	0.5
227.97771	1.5
229.05736	0.5
243.06284	0.6
244.05028	3.6
244.13069	0.8
246.06557	2.8
288.07654	66.0
289.08047	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.8
61.98828	100.0
67.97791	0.9
69.87736	1.6
69.88075	1.6
71.01364	1.4
80.96515	1.1
92.05042	1.5
93.05358	1.8
95.05013	1.3
101.06377	1.0
106.61340	0.9
109.02979	2.4
114.18673	1.0
123.04506	2.0
127.75670	0.9
137.98741	1.0
150.01761	4.9
150.05582	1.0
151.02054	4.4
167.00920	1.0
174.01715	1.5
179.03494	1.1
196.57756	0.9
200.07141	1.2
201.00710	1.0
205.04857	1.5
209.08118	1.4
226.06689	2.1
227.08125	1.8
228.09021	2.3
244.07968	4.8
245.08212	1.6
271.10880	6.8
288.06854	16.3
289.04233	2.0
289.07074	5.6
289.11963	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.83332	0.3
59.01368	0.5
69.83740	0.3
69.84086	1.0
77.12428	0.3
81.03435	1.9
92.05067	1.1
93.03448	1.3
98.22559	0.5
107.03762	0.5
108.02168	0.5
108.04551	4.1
109.02934	4.8
109.06576	1.0
119.08605	0.4
121.02943	0.4
124.01614	0.4
133.40390	0.3
134.02475	35.5
135.03285	9.0
136.04041	34.6
136.05147	0.5
137.02405	1.6
137.04370	1.1
145.06654	0.3
148.03986	0.6
149.04782	2.0
163.02763	0.5
176.03529	4.1
177.04181	0.6
187.07704	0.3
204.06691	0.5
214.15964	0.3
215.06786	0.3
245.19051	0.7
260.16476	0.4
287.16293	0.4
288.16037	100.0
289.16394	2.8
289.18039	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66369	0.4
59.01381	3.9
62.27932	0.4
63.28998	0.5
69.36251	1.8
71.05025	0.6
80.02683	1.3
81.03448	1.8
83.05026	5.6
84.02154	2.1
85.02961	0.9
95.04991	0.5
108.68398	0.4
109.06653	0.5
115.42448	0.4
125.06101	0.5
163.11343	4.3
164.11513	0.5
165.12900	2.8
165.14052	0.4
181.12358	1.0
187.07307	0.4
191.10762	1.1
209.11832	100.0
210.12184	5.1
227.12892	34.1
228.13129	2.0
244.15393	2.4
288.15335	1.2
289.16541	1.4
298.30090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64338	0.3
55.64538	0.2
56.46758	0.3
57.03452	0.3
59.01366	1.3
65.00328	0.4
70.23179	0.3
71.01395	0.4
76.26566	0.3
81.03452	4.1
81.47271	0.3
83.01419	0.8
85.02950	2.9
95.05025	0.3
96.96010	1.0
99.08169	1.0
101.06091	0.6
105.03384	0.4
105.78915	0.3
107.01392	0.5
123.08162	2.3
124.01694	0.4
125.02441	2.1
125.06079	3.5
133.02901	0.8
134.03732	1.2
135.04509	0.4
136.05287	0.7
141.09216	0.6
147.08157	0.9
151.00385	0.9
152.86423	0.3
155.75124	0.3
161.10056	2.0
164.55165	0.3
165.09201	21.9
166.09558	0.6
177.01875	0.3
178.02765	0.5
183.13835	0.4
189.63541	0.3
191.01895	0.3
191.07133	1.4
199.92299	0.3
209.08182	100.0
210.08519	4.6
211.13385	1.2
219.22705	0.3
221.11800	0.5
233.15425	1.1
239.12907	1.4
245.19115	0.8
261.05490	0.4
288.19815	0.3
289.03867	16.5
289.10925	0.8
289.18054	6.3
290.04071	0.7
305.24628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	26.4
69.66558	16.1
71.01375	10.1
72.00889	7.2
73.04063	5.4
74.02457	6.7
85.02942	8.6
87.00868	100.0
88.04002	7.1
89.04408	3.9
89.25613	3.7
90.70101	3.7
90.84731	4.1
97.06599	11.3
98.22672	4.6
101.02450	3.6
107.09516	3.5
111.08154	4.4
112.84508	3.8
113.43070	3.9
120.35617	3.7
121.06549	3.7
123.04572	4.0
125.06143	4.8
127.03939	3.7
127.07649	12.5
129.01894	11.5
137.06071	7.3
139.07623	20.3
141.98193	5.2
142.96559	7.1
147.02966	8.8
149.06062	10.4
153.97629	3.7
155.07141	33.9
167.07109	26.8
179.07159	7.3
184.97673	8.6
187.98792	9.4
191.05577	5.1
202.98730	10.6
227.09337	7.5
229.01459	12.4
229.05687	7.1
230.34650	4.1
245.13303	6.5
258.78580	4.0
271.10852	4.5
289.09265	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52631	0.2
70.13468	0.5
71.89713	0.2
79.95734	1.7
96.96012	100.0
97.52335	0.2
100.28125	0.2
108.29589	0.2
139.23573	0.2
251.25450	0.2
280.30673	0.2
289.11151	17.9
290.11411	1.1
291.07904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1117
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
55.65723	0.4
59.01376	0.6
60.27760	0.4
63.59885	0.4
65.51221	0.4
69.29908	2.4
79.95734	6.2
83.01353	0.5
83.04936	0.4
85.02962	1.1
96.96014	100.0
98.22618	0.7
98.95591	1.8
130.78870	0.4
146.27844	0.4
185.11810	1.1
209.08194	0.5
211.13362	0.6
243.83434	0.4
267.31830	0.4
267.35007	0.4
289.11172	69.5
290.11475	3.9
302.04947	0.4
306.00180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1116
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
70.13548	0.5
79.95718	1.9
89.31929	0.2
96.96008	100.0
174.18637	0.2
289.11151	20.5
290.11520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1194
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
55.24300	0.5
57.03434	0.6
59.01379	3.8
62.02937	0.5
70.79997	0.5
71.01375	0.9
79.95748	0.5
81.03437	0.6
83.05017	1.6
84.62669	0.6
85.02945	1.9
85.06572	0.7
87.00853	0.6
95.05076	1.0
96.95967	0.6
97.02956	0.5
101.02457	0.6
101.06090	0.6
108.04568	2.9
111.04543	0.5
115.04001	0.7
120.04560	1.1
122.06128	3.0
123.08140	0.6
124.04045	1.7
125.06067	0.9
130.08641	0.6
131.07199	0.4
132.04543	0.7
134.06120	3.7
136.04034	2.3
136.07660	1.5
147.05666	1.0
148.05255	0.6
149.07289	0.5
150.04553	0.5
150.05566	2.8
160.04147	0.6
160.06386	0.5
161.07161	1.0
162.05637	1.0
164.07336	0.6
165.09180	2.5
170.06042	0.6
170.07318	0.6
172.07634	1.1
183.42944	0.6
184.07719	4.5
185.08315	1.2
185.09717	3.4
186.09291	1.0
198.09254	1.0
199.08733	3.0
200.10797	4.3
209.08197	9.4
209.11847	0.9
210.09084	0.8
210.12161	2.8
212.05893	9.1
213.06493	6.9
214.07338	1.9
215.08308	1.7
216.10361	1.0
226.07396	1.0
227.08240	30.5
228.08922	42.7
229.09738	11.2
230.10147	0.5
241.09897	0.5
242.10594	1.3
243.11368	9.2
244.08447	0.6
244.11441	0.5
247.04720	0.6
253.09785	0.7
256.08566	2.6
258.09988	1.1
259.10815	3.2
271.10864	100.0
272.11200	5.8
289.04120	2.6
289.07095	0.8
289.08209	0.9
289.11945	28.8
289.16553	5.7
290.12283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.2
57.03449	8.6
58.00575	2.0
59.01381	46.1
67.01896	2.2
70.73610	2.8
71.01385	100.0
71.05009	2.0
72.01768	1.6
72.99307	1.4
73.02944	40.4
75.00872	2.4
78.85106	1.3
79.95732	1.8
81.03438	1.5
83.01391	15.7
85.02953	59.1
87.00898	2.8
89.02454	6.0
95.01398	7.6
96.96001	11.2
97.02967	3.3
98.95611	2.0
99.00888	11.8
101.02448	68.9
111.00903	3.3
113.02457	43.2
117.01963	1.3
119.03513	1.7
119.08661	23.0
125.02459	2.6
125.09740	3.1
127.11250	4.3
129.01918	1.7
133.02939	5.5
134.03738	5.6
135.04509	4.9
137.02437	2.2
143.03508	3.9
159.02965	7.2
161.04567	25.4
173.04581	2.7
175.53677	2.6
177.02019	2.2
178.02692	6.0
179.03452	3.6
191.14409	2.4
193.86603	1.4
202.07462	2.6
202.57642	1.4
209.08142	4.8
211.13513	8.2
221.11827	1.9
233.15425	4.7
239.12837	7.1
245.19142	4.8
261.05566	2.2
289.05298	7.7
289.11288	7.7
289.18140	39.7
290.05728	2.9
290.18475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1657
Annotation	oscr#14
Peak:m/z	Relative Intensity
50.85349	0.4
54.60879	0.4
57.03418	1.1
59.01377	19.0
60.01722	0.5
69.16331	2.5
79.95749	2.4
83.05032	2.8
85.02951	2.5
85.06589	1.3
91.82336	0.4
93.03427	1.0
95.05029	0.7
96.96009	100.0
97.06586	1.2
99.08131	2.7
109.06581	0.5
111.00865	0.4
111.04521	0.6
113.09703	2.9
137.35393	0.4
143.24268	0.4
155.14433	1.5
156.20564	0.4
161.02376	0.5
161.03603	0.5
165.12852	0.8
171.10349	0.8
181.16010	0.5
181.30130	0.4
183.14011	0.7
191.14316	0.4
208.59348	0.4
209.08247	0.7
209.11932	1.6
209.15498	1.2
211.13507	1.2
212.42241	0.4
225.15053	0.8
227.13130	0.7
227.16524	16.1
227.99817	0.5
228.16930	1.3
229.14439	55.6
230.14861	2.4
253.14487	0.8
271.15527	6.5
271.18307	0.5
289.11404	20.3
289.16537	67.0
290.11615	1.0
290.16895	4.1
299.64893	0.5
300.82513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85349	0.4
54.60879	0.4
57.03418	1.1
59.01377	19.0
60.01722	0.5
69.16331	2.5
79.95749	2.4
83.05032	2.8
85.02951	2.5
85.06589	1.3
91.82336	0.4
93.03427	1.0
95.05029	0.7
96.96009	100.0
97.06586	1.2
99.08131	2.7
109.06581	0.5
111.00865	0.4
111.04521	0.6
113.09703	2.9
137.35393	0.4
143.24268	0.4
155.14433	1.5
156.20564	0.4
161.02376	0.5
161.03603	0.5
165.12852	0.8
171.10349	0.8
181.16010	0.5
181.30130	0.4
183.14011	0.7
191.14316	0.4
208.59348	0.4
209.08247	0.7
209.11932	1.6
209.15498	1.2
211.13507	1.2
212.42241	0.4
225.15053	0.8
227.13130	0.7
227.16524	16.1
227.99817	0.5
228.16930	1.3
229.14439	55.6
230.14861	2.4
253.14487	0.8
271.15527	6.5
271.18307	0.5
289.11404	20.3
289.16537	67.0
290.11615	1.0
290.16895	4.1
299.64893	0.5
300.82513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1808
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.47273	0.3
57.65658	0.3
58.23812	0.3
59.01373	1.1
69.46492	0.9
69.46874	1.0
83.04985	0.4
93.07084	0.8
119.08640	3.5
121.06594	0.6
131.05038	0.4
145.06601	1.7
147.08138	0.6
151.11252	0.4
160.08922	11.0
161.09473	0.4
175.24202	0.4
189.16483	2.0
204.05699	0.4
205.06462	0.4
215.14432	0.5
216.16170	0.4
231.04407	0.5
232.05249	2.9
233.06137	3.2
233.15445	63.4
234.15773	3.6
245.19121	1.7
259.04016	0.4
260.04727	0.6
261.05557	3.7
262.06189	0.6
271.17081	1.5
289.05157	5.9
289.18079	100.0
290.05734	2.4
290.18442	7.2
293.04227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03436	0.6
59.01373	1.4
65.03960	1.7
69.64791	1.2
95.05019	0.4
97.06582	1.7
104.06358	0.4
104.37260	0.4
106.04297	0.5
109.06585	2.4
117.35007	0.4
119.08662	60.6
120.09008	1.3
123.08157	1.9
125.09722	11.6
145.06596	1.0
146.07404	0.5
147.08157	0.4
159.08148	0.6
160.08945	2.8
163.11176	0.4
189.16418	0.4
227.18138	0.6
233.15443	18.4
234.15785	0.7
245.19016	2.7
246.62866	0.4
271.17007	1.9
289.18079	100.0
290.18448	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
54.81330	0.2
59.01384	0.3
70.97062	0.4
116.57851	0.3
184.10510	0.3
189.86757	0.3
229.15935	3.1
230.16466	0.4
257.15463	8.0
258.12756	0.3
258.15787	0.9
273.14859	0.3
289.18094	100.0
290.18414	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
59.01369	4.1
65.03967	1.0
67.05514	3.7
71.05017	5.4
71.36552	1.0
83.05018	2.1
93.03457	3.6
95.05036	1.0
97.06565	2.3
98.63351	0.9
106.04260	1.0
109.06597	12.0
111.08151	5.0
123.08160	2.0
137.09724	1.8
141.35144	1.1
149.09734	1.2
151.11252	0.9
163.11275	1.4
167.10782	2.6
177.09352	0.9
177.12891	2.1
179.10771	2.2
193.12354	1.7
195.13980	6.5
203.10880	1.7
243.17480	1.0
245.19136	6.7
271.16962	5.8
289.18091	100.0
290.18332	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.9
59.01373	4.1
60.59130	1.9
61.98834	100.0
71.01376	2.7
74.44409	1.9
81.59735	2.1
85.02958	22.0
96.96001	2.3
129.01955	2.5
129.03661	1.9
130.68536	2.1
133.02972	4.1
134.03716	5.0
160.01587	2.2
178.02661	2.7
191.01936	6.9
191.05591	5.1
211.13405	14.1
212.13821	2.1
313.21448	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.4
61.01159	3.4
71.01387	17.4
71.41865	2.9
73.02932	5.3
79.95735	4.6
80.96509	17.9
85.02946	13.1
85.06580	4.7
101.02417	8.2
103.02251	3.2
110.06119	6.2
113.02452	4.2
119.05018	14.6
121.02948	7.3
122.85153	3.2
129.05580	22.3
136.04033	3.6
141.01913	4.7
145.02937	18.4
145.08907	3.7
156.07831	3.5
158.08138	4.7
160.03987	5.3
161.04472	5.9
163.04028	19.8
164.02431	3.1
166.09575	6.2
181.00652	3.6
189.99452	4.9
200.04875	3.1
203.11116	100.0
204.11533	3.6
209.08139	9.1
210.08549	36.6
220.68274	2.8
228.08627	5.0
229.09177	8.4
230.10109	3.8
239.83716	3.3
244.11743	3.7
272.11209	24.6
290.04169	8.0
290.07217	3.6
290.14371	24.5
290.17053	3.8
291.08823	33.8
291.19901	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0871
Annotation	Picrotoxinin
Peak:m/z	Relative Intensity
57.03463	0.6
59.01395	2.0
59.53612	0.4
61.15974	0.4
69.03448	0.4
70.62337	0.8
71.01368	0.9
71.05055	0.5
78.36534	0.4
79.95733	22.4
80.96515	17.4
81.03494	0.6
85.02952	5.9
86.19762	0.4
87.00890	0.6
89.02444	0.5
97.64886	0.4
99.04538	0.4
109.91595	0.4
113.02458	0.5
117.03465	10.5
118.03913	0.4
119.05025	15.6
120.99678	0.4
127.04080	0.7
132.99644	0.5
143.72276	0.5
145.02953	55.1
146.03281	2.0
158.03757	1.7
159.03168	0.5
159.04463	1.4
161.02454	1.8
161.06032	0.5
162.03149	0.7
163.04010	12.4
171.04498	0.4
184.05328	0.7
185.99930	1.3
187.00702	2.3
187.04027	1.9
190.02744	0.6
197.06091	1.8
198.06815	1.7
199.07645	2.2
204.00897	2.1
210.34743	0.4
211.07617	2.1
229.08684	24.5
230.09047	1.3
247.06363	0.5
266.66824	0.4
273.08026	7.3
291.09030	100.0
291.19553	2.4
292.09326	5.0
298.62177	0.4
301.91632	0.4
310.47812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0875
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
52.37916	0.4
55.33300	0.3
57.03451	0.4
57.20016	0.4
59.01377	1.9
60.75581	0.4
69.32462	0.3
70.27027	0.9
71.01389	0.6
74.09769	0.4
79.95732	5.1
80.96526	3.7
81.03472	0.4
85.02946	10.9
87.00879	1.2
87.03245	0.3
103.02972	0.4
109.02934	0.8
117.03467	23.4
118.03767	0.6
119.05028	25.6
120.05369	0.5
121.02969	0.5
125.02525	0.4
127.04028	1.6
141.01935	0.5
145.02953	100.0
146.03291	3.0
147.40569	0.4
161.06097	0.4
163.04012	23.3
164.04294	0.8
187.04027	2.6
204.00928	0.6
228.71492	0.4
229.08789	0.7
273.07983	2.0
291.08856	48.7
291.19659	1.5
292.09277	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76109	0.5
57.03441	1.0
59.01377	3.0
61.98815	0.7
69.10320	1.5
69.10728	1.5
69.15689	0.4
71.01373	2.0
71.05019	8.1
72.99319	3.5
72.99676	0.7
73.02931	0.9
75.00878	1.1
80.96512	1.1
85.02940	1.7
87.00861	0.5
89.02439	0.8
93.61246	0.5
95.05032	0.5
98.22629	0.8
98.39255	0.4
101.02456	1.1
104.85555	0.4
113.02441	1.3
117.03412	0.5
119.05029	12.4
121.02946	2.1
123.08178	0.6
135.02992	3.1
141.01939	2.0
143.05089	0.9
145.02904	4.0
158.03735	11.5
159.03149	1.0
159.04503	15.8
160.04848	0.9
163.04008	12.3
171.04514	32.2
171.10234	0.9
172.04865	1.1
181.01413	0.5
186.18045	0.4
190.02782	3.1
195.04468	0.7
196.03633	0.6
209.04489	1.2
209.06326	0.7
209.08337	0.6
211.07645	23.3
212.07961	1.1
214.06331	1.9
217.09918	0.5
227.07239	0.6
229.08681	100.0
230.09000	5.6
247.09755	1.4
291.04245	0.7
291.08667	4.5
291.13852	0.9
291.19766	3.9
292.09183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94147	0.4
59.01372	1.2
64.08611	0.4
69.60322	0.9
71.01387	0.6
79.95736	25.2
80.96516	19.3
81.03455	0.7
83.50270	0.4
85.02950	3.8
86.72523	0.4
96.62681	0.4
98.21992	0.6
117.03474	5.4
119.05027	8.0
125.66936	0.3
127.03950	0.4
132.99686	0.4
140.84218	0.4
145.02953	28.4
146.03287	1.0
158.03735	0.5
163.04007	6.6
170.00571	0.3
185.99956	1.2
187.00655	2.3
187.04025	0.5
197.06071	0.7
198.06844	0.9
199.00763	0.7
199.07692	0.6
204.00999	2.8
211.07655	0.6
229.08702	5.4
232.00426	0.4
234.78595	0.3
244.35132	0.4
247.06483	0.4
252.84273	0.4
273.08014	7.6
275.05942	0.5
291.09061	100.0
292.09381	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03449	3.7
59.01377	7.2
69.03460	1.4
69.69645	1.6
71.01382	100.0
72.01735	1.0
73.02948	8.4
81.03475	0.5
83.01398	6.1
85.02947	26.3
85.06600	2.0
87.00878	0.9
87.04522	0.7
89.02424	1.4
95.01389	1.4
97.02950	0.6
98.22631	0.6
99.00890	1.6
101.02441	15.1
101.06095	2.1
103.04015	8.5
110.06100	1.4
113.02455	9.6
119.05029	5.3
121.02958	1.2
122.80157	0.5
125.02464	0.6
128.66075	0.5
129.05585	7.9
136.07642	0.7
143.03624	0.7
143.04625	2.9
145.02966	2.5
147.06633	74.9
148.07007	1.8
159.03058	0.9
161.04556	2.9
161.72156	0.5
163.03990	3.5
165.12825	0.7
177.03410	1.4
201.07686	1.2
206.81133	0.5
209.04596	0.8
220.13382	0.6
231.11482	0.7
291.10941	18.4
291.14386	1.0
291.16907	0.8
291.19830	3.3
292.11212	0.5
304.19287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15046	0.9
59.01378	100.0
59.31651	0.9
69.14039	3.7
69.14441	1.7
96.22968	0.9
98.21858	1.7
135.04527	1.2
138.99866	1.0
143.08998	13.2
161.10040	1.2
176.03812	1.5
203.11087	1.3
211.13354	1.2
212.13754	1.0
231.10596	14.1
232.10948	1.4
255.15823	1.9
291.06500	1.1
291.12744	20.5
291.19608	7.7
292.12994	1.9
307.26596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03458	0.5
59.01382	100.0
60.01716	0.6
68.93112	0.3
69.08877	2.3
69.67207	0.3
71.01385	4.4
73.02953	2.6
77.86391	0.4
83.01406	1.7
85.02950	3.7
89.02452	0.6
99.00901	0.9
101.02438	6.4
113.02445	2.8
141.01961	0.7
159.03059	0.5
159.19121	0.3
161.04567	1.9
163.04137	0.4
168.63866	0.4
189.61377	0.4
249.13412	8.5
249.15747	0.7
250.13873	0.4
291.19766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
69.14759	0.8
70.09309	1.8
82.99133	0.9
83.05022	2.0
84.99346	0.8
85.24664	0.9
85.29190	0.8
97.06593	1.1
99.53505	0.8
107.08661	1.2
113.09721	1.2
119.05102	1.2
121.10254	1.9
125.09745	5.5
127.11285	3.3
151.11211	1.0
151.99739	0.8
153.11545	0.8
153.12840	2.5
165.12924	2.6
194.81215	0.8
211.13364	1.7
229.19633	2.4
247.20618	9.5
255.17387	0.9
263.20163	14.5
264.20621	1.3
273.18585	17.6
274.18814	0.9
284.97357	0.9
285.70981	0.8
291.19669	100.0
292.19946	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24666	0.3
57.03449	1.4
58.47567	0.3
59.01382	0.8
67.01871	0.3
70.57238	0.6
71.01419	0.4
71.05043	0.3
83.05007	0.5
87.52877	0.3
87.88100	0.3
93.07088	0.7
97.06615	1.7
109.06585	0.3
111.08162	3.2
121.06702	0.3
121.10235	11.1
122.10500	0.5
123.08164	0.9
125.09720	5.0
141.12886	0.8
147.08211	0.8
165.12866	0.4
167.10753	0.6
177.12837	0.6
179.10797	0.6
185.11836	10.6
186.12115	0.4
191.14392	0.3
195.13927	2.5
197.11861	2.4
209.11839	1.3
211.13383	1.0
213.14999	0.3
217.15909	0.3
218.98856	0.3
223.13266	0.4
247.13490	0.4
247.20779	1.5
253.06706	0.3
273.18524	1.6
289.17871	0.5
291.19656	100.0
292.20007	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.5
67.80981	0.4
69.82839	0.9
71.55394	0.4
95.05027	0.7
105.51521	0.4
108.58897	0.5
118.28699	0.4
148.08934	1.2
150.10486	1.2
151.11270	0.6
163.11292	1.3
165.12846	20.2
166.13152	0.8
176.12041	0.7
177.12924	0.8
179.14406	0.6
191.14493	0.8
217.15903	0.4
223.75786	0.4
247.20667	9.9
248.20950	1.0
273.18607	5.9
291.19666	100.0
292.19995	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22105	0.6
50.35330	0.7
50.35586	0.7
51.69643	0.6
65.89156	0.7
69.93591	1.3
69.94696	0.8
81.85998	0.7
104.21189	0.7
123.59693	0.7
148.08937	1.4
163.11250	1.0
165.11539	1.3
165.12834	16.5
176.12004	1.0
199.30261	0.7
210.31087	0.7
215.18462	0.9
247.20636	8.7
248.20897	1.0
267.16287	0.7
273.18594	6.2
291.19647	100.0
292.19931	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83632	0.4
66.75895	0.4
70.97220	0.6
75.67433	0.4
91.77042	0.4
118.35120	0.5
125.06073	0.5
148.08934	0.9
150.10533	1.3
151.11342	0.6
163.11240	0.9
165.12840	21.1
166.13202	0.9
176.12012	1.0
179.14595	0.5
217.15865	0.7
247.20665	10.2
248.21114	0.5
273.18582	5.2
277.71976	0.5
291.19653	100.0
292.20035	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77484	0.7
59.01370	2.4
68.56846	0.7
69.68894	1.9
71.05019	31.3
73.95139	0.6
90.64520	0.7
97.06593	9.1
97.94506	0.6
98.16332	0.6
111.89820	0.7
118.99207	0.7
123.08132	0.9
133.06564	1.5
133.42197	0.8
157.12413	0.9
163.14966	1.1
171.02559	0.7
181.12320	2.5
189.99237	0.8
207.13878	3.6
219.13898	4.1
235.16895	3.8
247.20566	2.4
250.59227	0.8
273.15613	0.6
273.18564	2.6
277.76010	0.6
291.19653	100.0
292.20001	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01365	0.6
63.30041	0.5
66.59097	0.5
67.43182	0.5
68.81786	0.5
69.03433	0.7
69.48327	1.1
69.48716	0.8
79.24433	0.5
87.54148	0.5
93.07082	1.4
97.06592	1.3
111.08134	1.1
118.60307	0.6
121.10234	12.3
121.48472	0.5
123.08151	1.8
125.09727	7.5
141.12877	0.8
147.08128	0.7
165.12863	0.9
185.10159	0.9
185.11827	12.5
186.12086	0.6
197.11800	2.3
209.11845	1.1
211.13358	1.1
223.13406	0.8
247.20598	1.4
273.18631	2.2
291.19656	100.0
292.20004	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
51.46693	1.4
59.01368	6.2
61.44930	1.4
63.78551	1.5
69.77982	5.8
75.98447	1.9
97.06586	56.9
121.02984	2.3
149.98776	1.7
158.47755	1.4
163.04077	1.6
165.12817	7.5
171.10234	4.4
183.13896	1.7
193.12312	20.0
209.04523	2.5
211.13394	39.8
220.94142	1.7
225.91493	1.7
247.20702	6.8
262.26306	1.8
263.19855	2.0
273.18506	4.5
291.09048	3.4
291.19656	100.0
292.19958	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91578	0.6
54.73874	0.5
54.83020	0.5
56.95050	0.6
57.03448	14.9
59.01381	4.4
64.55348	0.6
70.65621	1.2
71.05000	0.6
83.05016	1.7
109.06609	1.8
121.10250	1.5
125.09729	9.4
127.53093	0.5
149.21545	0.6
151.11278	3.7
153.09227	1.4
162.77014	0.5
163.11273	3.5
165.09242	1.1
165.12804	1.0
175.11241	0.8
179.14389	0.7
181.12323	3.0
191.14339	0.7
210.36392	0.6
247.20663	5.1
273.18661	1.1
291.19656	100.0
292.20038	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92809	15.3
59.01372	69.9
61.98868	15.1
69.19685	100.0
71.01379	19.8
81.07756	14.6
93.56754	15.5
102.46766	15.7
120.57176	14.8
128.85078	15.5
133.02994	23.4
135.04506	23.2
150.05614	31.2
221.30168	17.0
273.83447	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70047	0.7
57.03421	0.8
59.01377	16.0
61.18066	0.6
68.99570	8.9
69.03451	59.1
70.02959	0.7
70.03783	0.9
71.01375	10.2
73.02941	2.0
75.00873	1.4
85.02952	4.6
89.02443	13.8
90.26012	0.6
95.01431	0.9
96.96021	1.3
97.00412	0.9
97.02988	0.7
101.02429	4.1
112.98554	10.6
113.02444	100.0
113.30777	0.7
114.02765	1.9
114.05583	3.9
116.07208	1.0
119.03498	2.3
120.89998	0.7
129.01917	2.0
131.03491	0.7
142.12952	0.8
143.03537	1.2
149.04620	0.7
161.04631	1.0
179.05615	2.6
191.05672	0.9
192.05942	1.5
195.01607	0.7
195.05086	2.7
201.14610	0.7
203.97482	0.7
233.03532	0.6
293.08887	1.3
293.12308	4.9
293.21136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
57.03432	1.0
59.01375	14.1
68.99575	8.5
69.03455	55.0
70.03780	1.0
71.01386	10.3
73.02946	2.5
75.00876	1.0
75.89950	0.6
83.01373	0.9
85.02925	3.7
89.02444	12.4
96.96008	0.9
97.00430	1.4
101.02451	4.9
104.64531	0.8
112.98576	12.1
113.02451	100.0
114.02795	2.0
114.05605	3.7
115.03998	0.9
116.07217	1.2
129.01953	1.7
131.03551	0.9
139.67392	0.7
143.03497	1.1
161.04573	1.4
179.05600	1.9
191.05647	1.4
192.05971	1.7
195.05104	2.5
234.02937	0.8
293.09048	1.0
293.12274	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56545	0.9
55.01873	1.0
55.47934	0.6
55.55217	0.6
59.01377	48.9
60.01737	0.6
63.43138	0.5
69.46458	0.6
69.71377	1.8
71.01381	20.1
73.02940	1.6
83.01395	1.9
85.02937	5.1
85.06586	14.0
87.00848	1.5
89.02441	20.5
92.24628	0.6
95.01400	0.9
99.00823	0.6
101.02441	12.9
113.02465	7.5
113.06098	4.5
115.07645	2.1
119.03502	7.2
127.07616	1.3
130.08710	1.4
131.07144	57.4
132.07454	1.0
143.03502	1.0
159.01572	0.6
161.04543	0.8
173.08185	1.8
179.05667	1.2
293.12408	100.0
294.12692	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72647	0.5
55.01874	0.7
55.11574	0.5
58.00558	0.7
59.01376	45.0
64.97604	0.6
69.46971	2.2
71.01381	17.2
72.00882	0.6
72.99303	0.9
73.02933	1.4
77.36787	0.6
83.01375	1.7
85.02937	4.0
85.06582	13.7
87.00874	0.8
89.02438	18.7
95.01353	0.8
100.00398	1.2
101.02445	12.5
113.02448	6.6
113.06107	4.5
115.07639	1.6
119.03488	8.3
122.32301	0.6
127.05154	1.4
127.07631	1.7
128.03546	5.4
131.03467	0.9
131.07137	53.0
132.07457	1.4
147.04523	0.7
148.06253	0.7
153.12572	0.6
164.07195	2.8
173.08183	1.4
179.05576	1.4
221.28381	0.7
229.10474	0.6
257.09421	0.7
265.82138	0.7
275.10403	1.3
293.12427	100.0
294.12799	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78839	0.4
56.90104	0.4
57.92480	0.5
59.01377	12.2
69.03430	0.6
70.31442	0.6
70.31769	0.4
71.89799	0.4
73.30370	0.4
83.05010	0.5
92.65781	0.4
96.96059	0.5
98.21955	0.4
127.86990	0.5
151.69397	0.5
165.12825	1.5
165.74002	0.4
167.14410	1.0
177.47321	0.4
183.13907	7.6
192.69125	0.4
193.12329	2.6
194.92886	0.6
211.13388	100.0
212.13701	5.0
232.20029	0.4
233.11566	16.0
234.11887	0.8
241.21991	0.5
275.16760	0.6
277.62244	0.5
278.32660	0.5
293.04691	0.5
293.10614	0.6
293.13718	8.2
293.17548	1.3
293.20999	3.6
294.13831	0.6
305.54239	0.4
310.22247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
51.78749	0.2
58.79412	0.2
61.98790	0.6
69.68123	0.4
71.01379	6.7
83.86848	0.2
94.65423	0.2
98.22588	0.3
109.42339	0.2
121.02950	0.2
127.07565	0.4
148.05305	1.1
149.05978	0.2
152.91708	0.3
164.08401	1.1
177.09204	4.9
190.10065	0.3
192.11551	6.9
193.12141	0.6
194.92738	0.3
205.12323	6.4
206.12558	0.3
207.13918	0.3
209.15150	0.2
215.80652	0.2
217.08572	0.4
218.09471	1.9
220.14676	48.9
221.15445	100.0
222.15788	6.2
235.13408	0.4
236.10527	66.4
237.10953	3.8
275.20056	0.2
293.04666	0.3
293.17599	11.9
293.21039	1.4
294.17938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
63.13239	0.6
71.01384	1.5
72.74918	0.6
73.75648	0.5
76.56879	0.6
78.19793	0.7
79.95743	2.2
91.05996	0.5
96.02176	0.8
96.96009	95.0
99.00845	0.8
123.00852	0.8
124.01651	1.7
133.02975	0.8
152.01140	1.3
177.01910	0.8
177.09154	1.0
178.49878	0.6
192.11562	1.9
193.15924	1.3
205.12349	1.2
220.12714	1.1
220.14670	9.8
221.15453	19.6
222.15771	0.7
236.10495	14.5
265.18033	1.0
293.17844	100.0
293.20953	5.6
294.18149	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37484	0.5
64.20586	0.4
69.17234	0.4
69.29765	1.4
69.30171	0.9
71.01360	0.9
79.95740	1.5
80.12309	0.4
84.80634	0.4
96.02164	1.6
96.96008	79.6
100.21735	0.4
107.29509	0.4
120.34863	0.4
123.00879	0.9
123.36385	0.5
124.01632	1.6
124.44782	0.4
133.03055	0.4
152.01135	2.4
166.02734	0.6
192.11571	0.6
193.15994	1.1
205.12285	0.6
220.14639	3.4
221.15448	7.8
236.10535	5.1
265.18079	2.0
275.20181	1.2
293.17847	100.0
293.21024	5.4
294.18140	7.8
307.76764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.11263	0.3
57.03440	1.3
59.01371	2.1
61.98815	0.8
69.11534	0.5
69.11939	1.7
71.01379	1.2
97.06573	0.9
113.09734	1.8
121.10259	0.6
123.08182	0.5
125.09698	3.3
139.11288	0.4
141.12840	1.3
149.09721	1.5
157.14284	0.5
166.13152	0.4
167.14394	0.4
185.11809	8.5
192.11530	1.1
197.11761	2.0
205.12270	1.0
218.09456	0.4
220.14665	6.3
221.15443	12.8
222.15749	0.8
234.92485	0.3
236.10516	8.5
237.11134	1.0
249.22177	0.9
251.12849	0.7
257.90204	0.5
267.24805	0.3
275.19757	0.8
293.21179	100.0
294.18039	0.4
294.21518	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87030	0.8
59.01373	1.9
69.65033	1.4
69.65417	1.7
71.07775	0.7
71.36101	0.8
83.05066	0.8
88.73162	0.8
88.82434	0.8
99.08121	1.1
127.27023	0.8
165.12952	4.7
166.13159	6.4
167.13504	5.8
177.16411	1.0
209.15451	56.1
210.15709	2.8
220.87160	0.9
221.15434	1.2
231.21179	2.0
236.10431	1.3
247.20459	1.1
248.21036	1.4
249.21333	6.0
275.20157	36.4
276.20465	2.1
293.20416	100.0
294.20819	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49147	1.4
59.01373	7.6
61.06641	1.3
63.01013	1.4
69.08024	7.9
69.08438	3.4
71.05016	4.0
96.60126	1.3
96.62645	1.5
98.21919	2.6
177.16476	1.6
191.18187	1.6
212.46582	1.4
231.21182	4.7
235.17030	89.4
236.17397	6.6
275.20157	100.0
276.20560	7.4
293.21222	83.1
294.21564	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90439	1.8
58.48730	2.4
59.01346	2.6
69.08707	9.2
69.09115	4.1
74.96464	2.3
75.03434	2.3
80.24986	2.2
89.40374	2.2
91.30565	2.3
121.10240	43.0
171.10271	60.8
172.10660	3.3
185.11862	3.2
191.10612	2.1
203.22238	2.3
209.52477	2.1
231.21089	5.2
275.17154	4.9
275.20157	100.0
276.20493	6.7
293.21213	69.9
293.23666	1.9
294.21582	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.74363	0.5
72.47878	0.5
81.03450	0.6
159.67389	0.7
181.15959	0.7
190.79176	0.6
191.14400	0.7
220.19466	0.5
225.14972	1.5
249.22183	1.1
275.20053	0.8
293.21207	100.0
294.21503	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01373	1.0
61.98806	0.4
69.03438	0.4
70.07883	1.0
71.01388	0.7
71.05003	0.5
72.99313	0.5
83.05028	0.8
97.06583	0.4
99.08183	0.4
113.09728	3.2
127.11234	0.6
132.71495	0.3
139.11296	2.7
153.12936	1.6
153.40401	0.3
156.09755	0.3
167.14345	0.4
171.10469	0.3
177.09222	0.6
191.18057	2.4
192.11592	0.4
193.16020	0.7
195.14026	0.7
199.13402	0.9
211.13396	0.5
220.14673	1.9
221.15437	5.0
231.21233	0.5
236.10507	3.1
247.20667	1.6
249.22287	0.6
265.21738	0.4
275.20142	2.1
293.21204	100.0
294.18362	0.4
294.21500	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73629	0.3
57.03426	0.9
59.01372	2.5
60.26708	0.4
62.57407	0.3
63.52052	0.3
70.02129	0.4
70.40726	0.4
71.05022	0.5
79.20552	0.4
83.05032	0.5
94.39109	0.3
114.20170	0.3
123.08169	1.2
139.11267	1.2
142.19781	0.4
151.11301	2.6
153.09181	0.9
165.12939	0.4
169.12341	2.8
177.12840	0.6
177.16582	0.5
180.48427	0.4
197.11821	34.7
198.12166	1.5
213.14899	0.5
220.14738	0.7
221.15448	1.7
231.21188	1.4
236.10521	1.4
249.22255	0.9
275.20145	21.3
276.20499	1.6
293.21213	100.0
294.21564	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
69.84753	1.2
69.85155	1.3
81.36165	0.6
94.08994	0.7
109.06556	0.8
121.10229	7.5
171.10268	13.9
183.13890	1.1
195.13905	12.3
196.14659	3.4
200.50061	0.7
205.12392	1.1
214.67897	0.8
223.13387	8.8
224.13988	2.3
231.21146	1.3
256.13165	4.4
275.20148	25.3
276.20511	2.0
293.21213	100.0
293.48215	0.7
294.21552	7.9
300.49805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66791	0.4
51.83041	0.5
57.03447	7.5
59.01389	2.6
62.10165	0.4
62.10857	0.5
69.76570	1.0
69.76897	0.5
78.46026	0.4
85.06571	0.5
97.06583	1.3
107.62226	0.4
109.06580	0.7
113.09724	25.7
114.10068	0.9
121.10210	1.1
132.09314	0.6
135.11797	0.7
139.11293	3.0
149.09795	0.7
164.92783	0.4
167.10789	2.5
171.10269	2.3
177.12836	1.0
179.10808	2.1
195.13913	4.0
234.86000	0.5
249.22165	2.5
275.20096	3.1
285.68881	0.6
293.21225	100.0
294.21506	6.0
301.16138	0.4
313.67673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
57.25079	0.7
69.36743	1.4
69.37136	1.1
95.47440	0.6
97.06600	1.1
123.08185	0.7
125.09720	5.5
141.12888	1.5
147.12439	0.6
149.09740	1.7
177.93468	0.5
185.11839	10.8
197.11821	2.7
210.13916	0.5
249.22160	1.1
275.20068	0.7
293.21225	100.0
294.21533	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.66217	0.4
57.03448	4.6
59.01372	2.2
61.98812	1.1
64.12351	0.4
71.01366	1.1
75.89460	0.4
95.05028	0.4
96.96030	0.5
97.06582	0.8
99.00891	0.9
109.06572	0.7
111.79512	0.3
113.09727	17.7
114.10046	0.6
136.07922	0.6
136.08937	9.8
139.11331	2.2
139.82794	0.3
153.09116	0.5
167.10715	2.1
177.09151	1.3
177.12830	1.3
179.10768	2.0
192.11552	6.4
193.15965	22.1
194.16293	1.1
195.13901	2.9
213.14925	0.5
220.14708	2.9
221.15466	6.0
222.15800	0.7
236.10551	5.0
249.18587	8.6
249.22244	1.6
257.90384	0.6
275.16400	0.5
275.20148	0.5
293.17676	13.5
293.21173	100.0
294.18005	1.1
294.21478	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.9
69.79556	2.3
71.01360	0.8
71.05038	0.6
76.34673	0.6
83.05045	0.8
96.96014	1.4
97.06596	1.0
113.09705	2.7
127.62666	0.7
135.81583	0.6
138.50250	0.6
139.11285	1.5
153.12888	1.5
191.18030	1.9
192.11569	1.5
193.15894	1.1
218.92708	0.6
220.14632	3.5
221.15463	8.4
236.10539	5.7
247.20587	2.3
265.21628	1.9
275.20139	3.6
293.21201	100.0
294.21564	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
54.26749	1.5
59.01369	4.4
61.98816	5.0
69.28336	9.0
71.01368	2.9
71.50642	1.9
82.01735	1.8
85.57192	2.4
96.02160	4.8
96.96005	36.2
98.21910	3.6
121.10229	10.0
123.00858	1.8
124.01629	6.6
136.08955	1.6
152.01154	5.8
165.99983	1.9
166.02769	2.1
171.10252	21.3
192.11543	2.6
193.15962	3.3
195.13936	2.7
220.14705	12.9
221.15460	30.3
226.52225	1.8
231.21080	2.8
233.97878	1.8
235.16960	3.2
236.10551	23.0
265.18063	4.0
273.68915	1.9
275.20166	33.4
276.20291	2.9
291.02679	1.8
293.17618	100.0
293.21173	43.8
294.17932	10.1
294.21426	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1195
Annotation	2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
51.65408	0.7
52.98248	0.7
55.01887	3.0
57.03440	5.1
57.62029	0.8
59.01378	47.0
61.98825	3.4
69.29575	3.2
71.01379	28.5
72.99336	0.8
73.02943	3.4
74.39556	0.8
75.00866	1.5
77.84888	0.7
83.01399	2.8
85.02943	20.6
87.00838	1.9
88.55177	0.8
89.02438	30.7
99.00892	3.5
101.02441	18.0
101.06059	2.2
103.04011	9.0
111.00852	1.4
113.02453	7.3
114.05604	25.4
115.00382	10.0
115.04005	2.5
116.07171	12.8
117.05605	0.8
119.03510	9.7
125.18312	0.8
129.01942	7.9
130.08774	0.9
131.03482	1.6
133.05055	1.2
143.03520	1.4
147.03009	8.2
147.06631	100.0
159.02942	1.7
161.04561	2.4
177.04062	5.9
179.05598	4.1
191.05518	4.4
193.07147	2.2
221.06845	0.9
251.07959	0.9
294.12039	1.2
295.10333	36.3
295.13672	1.7
317.32751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1713
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
54.51359	0.7
59.01362	1.1
59.31871	0.8
62.09797	0.8
78.61079	0.9
83.05045	1.3
85.02949	1.0
85.06589	2.1
100.62038	0.8
134.09782	1.6
146.09785	1.6
158.83466	0.9
162.12897	6.6
164.14453	17.3
165.14833	1.0
172.11304	0.9
190.12386	29.9
191.12709	1.2
206.15521	2.6
208.13434	29.9
209.13701	1.8
232.17067	40.7
233.17329	2.5
236.77254	1.1
250.18102	2.9
276.16013	22.1
277.15991	1.1
294.17114	100.0
295.17139	5.2
295.22415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
55.16222	0.4
57.03444	3.5
59.01379	21.3
61.98840	0.5
71.01378	11.8
72.67291	0.3
72.99298	1.6
73.02962	2.1
75.00858	1.0
83.01379	0.5
83.13765	0.3
85.02950	20.2
86.03293	0.4
87.00879	7.4
89.02441	12.9
95.01382	0.5
99.00880	0.6
101.02448	12.7
101.06097	2.9
102.02755	0.4
102.51053	0.5
103.04015	9.4
113.02441	3.4
114.05631	0.6
115.00371	4.6
115.03998	1.6
116.07180	5.4
117.05522	0.7
118.05139	0.5
119.03497	3.9
129.01926	0.7
133.05064	0.4
143.03479	0.8
147.03027	4.4
147.06635	100.0
148.06989	2.8
161.04533	1.1
165.04079	0.7
168.14183	0.4
171.70911	0.5
179.05586	1.3
181.07159	0.8
190.08815	0.4
195.05002	0.6
221.06566	0.4
247.96683	0.4
253.09270	0.6
295.10345	24.3
296.10599	1.2
306.93253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93507	0.3
55.01878	2.7
57.03444	3.8
59.01370	1.9
64.53825	0.3
69.52827	1.3
71.01383	1.6
73.02943	1.3
85.02949	18.3
86.98444	0.3
87.00869	1.0
89.02430	1.5
95.31635	0.4
98.22620	0.6
101.02441	8.0
101.06071	2.6
103.04004	10.5
147.03014	5.5
147.06628	100.0
148.06985	2.0
152.93498	0.3
164.05795	0.5
295.10309	4.7
295.13541	0.5
300.30597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1188
Annotation	Amotin
Peak:m/z	Relative Intensity
51.53570	1.2
56.80914	1.3
57.03446	8.9
59.01377	7.4
69.03439	4.3
69.90231	4.7
71.01360	2.7
73.02939	2.6
79.05526	1.5
79.88785	1.5
80.96505	4.5
83.05035	8.5
85.02948	8.9
93.03483	1.6
94.04260	2.1
95.05025	27.9
96.96005	7.3
97.02913	2.5
97.06596	2.0
98.03726	2.6
109.02947	3.2
109.06579	4.9
111.00884	11.3
111.04520	17.1
111.08138	5.1
112.05334	1.5
113.02466	3.0
113.06080	31.9
115.04011	6.0
121.06588	10.2
121.10191	1.8
122.03730	2.7
123.08170	7.0
123.61488	1.4
124.05295	2.4
133.02901	1.8
133.06577	2.7
135.04521	3.5
135.08122	2.4
137.06078	5.9
137.09718	5.9
138.06754	1.4
139.07646	7.1
144.42064	1.3
149.02437	2.2
149.09697	10.6
154.99849	2.1
155.07144	2.0
160.08865	2.2
163.11269	5.2
164.04811	1.6
165.09167	9.2
167.84280	1.4
170.05554	1.4
171.11781	8.4
173.00909	3.8
173.09776	2.4
174.10449	2.3
175.03949	2.5
189.12842	98.4
190.13190	5.5
193.04990	1.7
207.13904	9.2
223.06085	3.0
233.11829	3.5
235.06090	1.7
251.12868	100.0
252.13148	6.9
267.06436	1.9
295.06091	12.3
295.08798	5.4
295.11801	83.5
296.12021	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.5
69.07650	23.7
69.08054	52.4
71.20515	11.4
80.96529	15.8
96.96006	10.5
98.22638	18.4
135.04593	14.9
159.64572	10.2
179.03517	15.9
188.34488	11.7
195.99655	11.8
205.12279	21.2
209.11826	100.0
220.53314	11.6
227.12883	79.0
227.43643	11.9
240.82819	10.2
295.15573	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28885	0.6
59.01377	100.0
60.01711	1.0
69.73794	1.2
69.74154	1.1
71.01402	1.4
73.02962	0.7
81.79417	0.5
91.77998	0.5
92.86426	0.5
98.21951	1.0
101.02451	1.8
113.02463	0.7
119.70661	0.5
152.18016	0.5
161.04720	0.7
185.24466	0.5
189.21101	0.5
235.11829	4.1
251.09387	0.5
285.97998	0.5
295.09683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	0.6
60.90296	0.5
69.88644	1.3
71.01387	1.2
73.02946	0.8
85.02957	0.6
91.41279	0.4
101.02446	1.3
235.11790	3.3
309.67648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16280	0.5
59.01236	10.8
59.01578	6.0
60.01558	0.4
69.43979	2.0
75.08537	0.4
99.92448	1.2
114.80486	0.4
118.61481	0.4
123.50057	0.5
155.70117	0.4
167.14352	1.6
183.13866	2.6
192.66153	0.5
195.13881	10.5
203.79521	0.4
211.13307	1.0
213.14954	100.0
214.15286	5.2
233.11568	2.8
235.13136	8.1
236.13611	0.8
251.15002	1.0
253.13010	1.0
275.01849	0.4
277.18152	0.8
279.12228	1.4
295.06155	0.5
295.15378	14.7
295.19269	1.6
295.22827	1.1
296.07529	1.2
296.15921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
59.01372	9.4
78.96927	2.3
97.06582	32.6
101.13013	2.7
126.90583	3.1
133.74318	2.6
151.11218	5.0
157.47369	2.7
169.12344	9.4
171.10330	3.5
179.14401	7.2
181.12355	3.7
183.13919	3.0
187.17230	2.6
197.11819	100.0
198.12206	6.1
199.13454	5.1
211.13405	10.0
213.14922	7.5
226.12029	3.3
227.12866	3.8
233.15456	3.4
233.19141	6.2
249.18506	6.2
251.16451	6.1
259.16974	3.5
277.18076	55.5
278.18335	3.5
295.19159	59.0
295.22397	2.6
296.19568	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2274
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03430	0.7
59.01371	0.8
65.97330	0.5
125.25525	0.5
141.12910	1.0
151.11201	0.7
169.12376	2.6
184.83128	0.5
195.13972	0.9
196.14336	0.9
197.11909	1.7
197.14540	2.6
224.13809	1.0
225.14069	2.1
233.11267	0.6
251.23666	0.9
277.18417	1.1
277.21677	7.4
295.22668	100.0
296.23087	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
50.17736	1.1
53.20237	1.0
59.01363	2.4
69.03448	1.1
69.74769	2.5
69.75120	1.8
77.40945	1.1
99.62927	1.0
111.08167	2.0
113.09739	2.2
129.25548	1.0
140.88745	1.0
157.08704	70.7
158.09108	2.3
186.62465	1.0
195.13887	4.7
228.00923	1.1
277.21719	69.7
278.22006	5.0
295.22772	100.0
296.23062	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03426	0.9
59.01377	2.5
59.46416	0.4
67.89720	0.4
91.13348	0.5
96.31301	0.4
97.06556	0.6
113.09745	2.8
123.55849	0.5
146.94678	0.5
148.70244	0.6
177.12897	0.8
179.14407	1.9
181.12325	0.8
195.13902	23.2
196.14253	0.9
259.20743	0.7
277.21716	23.6
278.22125	2.0
295.22766	100.0
296.23114	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.15344	1.1
52.74277	1.0
56.10161	1.2
59.01373	1.2
66.82719	1.0
69.27612	2.3
69.28019	4.5
99.69987	1.3
107.16021	1.2
141.12894	1.4
171.10260	45.6
273.57327	1.2
277.21719	56.4
278.22055	4.3
295.22763	100.0
296.23035	8.8
307.24899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.63714	1.1
57.03426	1.2
57.24702	1.0
59.01371	2.0
71.07465	1.1
108.53159	0.9
143.07071	1.3
171.10262	23.9
182.19344	1.0
195.13936	6.2
277.18591	1.0
277.21704	31.3
278.22067	1.7
295.22760	100.0
296.23019	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03452	1.9
70.93930	0.4
102.97706	0.4
113.09728	4.4
122.04901	0.4
171.13356	0.3
171.21857	0.4
176.68123	0.4
179.14420	1.6
181.12358	1.0
201.49770	0.4
218.05487	0.4
250.82043	0.4
251.23795	0.7
295.22772	100.0
296.23105	7.0
303.51462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03437	1.1
59.01370	1.3
111.72694	0.8
116.80407	0.9
120.02235	0.8
125.09669	1.2
127.07598	0.8
131.71252	1.0
140.24701	1.0
161.00644	0.8
171.10263	40.4
183.10249	3.1
199.16409	0.9
201.94554	1.0
221.05330	1.0
251.23766	1.4
277.21713	46.7
278.22049	3.5
280.67194	0.9
291.16037	0.9
292.22791	1.1
295.22757	100.0
296.23035	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.40186	0.3
69.03466	0.5
69.14487	1.9
72.99276	0.5
83.05031	0.9
95.05022	0.6
97.06577	0.7
103.45383	0.4
109.06538	0.5
112.69873	0.3
127.11279	0.9
140.44888	0.3
141.12856	9.1
142.13208	0.6
147.41104	0.4
155.14426	4.4
190.05655	0.3
195.17621	0.3
231.21268	0.7
249.22234	9.2
250.22557	1.0
277.21793	1.0
293.21063	0.5
295.22766	100.0
296.23123	7.3
296.26398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98094	0.5
59.01370	2.0
61.98809	0.6
71.01384	1.2
72.99305	13.2
74.00365	0.6
74.20041	0.5
77.87656	0.6
85.02953	0.7
87.00874	100.0
87.95531	0.6
88.01213	1.1
88.04041	0.8
89.02465	1.0
99.00903	2.7
103.04063	0.7
114.46607	0.5
121.05183	0.5
133.01556	0.7
134.04718	0.6
135.03101	0.6
135.04503	0.5
136.20862	0.6
147.03275	0.8
147.06633	4.5
148.06969	4.0
150.04222	0.8
160.03967	0.7
164.05803	2.1
173.96248	2.1
175.06432	1.1
185.96278	2.0
186.97101	1.5
190.08727	2.6
208.06137	9.2
218.96005	1.5
234.07693	2.3
278.02499	6.6
296.07544	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.8
57.03439	3.9
59.01379	100.0
60.01714	4.4
61.98818	5.0
66.94750	1.4
67.00319	1.3
71.01383	60.4
72.99302	9.1
73.02952	3.8
74.02469	1.6
75.00869	3.9
83.01393	2.4
85.02956	16.5
86.03298	6.3
87.00877	34.8
89.02447	78.3
90.02773	2.7
92.94004	1.7
95.01404	1.7
96.96042	1.6
99.00866	3.2
101.02447	23.2
102.02770	4.1
103.04007	6.8
104.04333	1.9
113.02442	17.6
114.05645	3.7
115.00369	4.0
116.03525	4.8
116.07185	94.9
117.07527	2.6
118.05111	9.3
119.03516	15.1
129.01913	2.1
131.03520	3.0
135.04488	1.8
135.06644	3.4
135.39012	2.1
143.03474	4.3
147.02989	1.7
147.06636	35.8
148.06981	40.4
149.04529	2.9
149.07228	1.6
152.47493	1.7
161.04579	7.9
163.06140	2.0
179.05640	20.6
181.07208	4.8
195.05136	4.3
199.00974	2.8
208.06212	2.0
253.09319	7.1
296.10693	18.0
297.08539	2.0
297.11795	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96928	0.6
55.06005	0.7
59.96696	0.6
69.08134	4.2
74.99061	3.7
89.04292	6.4
93.00129	2.3
98.21883	1.4
112.61911	0.5
121.06593	13.0
124.80021	0.5
149.00958	43.1
150.01025	1.4
160.23827	0.6
163.11281	11.4
167.07230	0.6
183.01189	2.6
206.99712	1.3
208.97557	0.9
223.02817	4.8
225.00848	0.9
264.98444	22.5
265.98453	1.9
266.96451	0.5
279.23337	1.1
281.01596	5.1
282.99463	2.3
296.23083	1.3
297.04706	100.0
297.15289	3.9
297.18613	11.2
297.24307	21.3
297.27826	1.1
298.04788	11.1
298.18875	1.0
299.02582	9.4
300.02557	1.0
301.00491	1.0
315.05731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.6
69.54954	1.8
69.55321	1.0
74.99063	3.9
80.60218	0.6
89.04284	8.0
93.00116	1.5
104.95714	0.6
141.12819	0.8
142.13177	0.8
149.00952	39.4
150.00922	2.2
183.01228	1.3
206.99628	1.1
223.02821	4.7
225.00766	0.9
264.98434	24.7
265.98526	2.4
279.23511	0.6
281.01559	5.8
282.99435	2.1
296.23090	9.3
297.04694	100.0
297.15317	3.2
297.24292	10.6
298.04739	12.7
299.02646	7.4
300.02567	1.3
301.00546	1.6
315.05734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94588	3.2
56.39102	3.7
59.01377	100.0
64.69202	3.1
70.76933	6.0
71.01378	64.6
73.02944	82.9
75.00838	5.7
85.02943	11.2
87.00874	5.0
89.02445	87.4
101.02455	21.5
113.02454	16.7
117.01929	7.3
118.05108	11.0
119.03502	11.8
135.04440	4.6
147.30235	4.5
161.04562	9.9
173.03008	5.5
179.05605	12.6
199.00995	13.6
297.11807	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82807	0.4
55.01882	1.2
59.01371	0.4
70.02954	0.4
71.01395	1.0
72.00905	6.4
72.99328	0.7
73.02946	0.7
82.03001	1.3
82.22205	0.5
98.02486	0.5
99.00879	10.5
100.04048	8.2
102.13526	0.5
107.03773	2.0
110.61172	0.4
113.06113	0.6
116.03552	5.2
118.05134	1.0
122.06120	2.9
127.00674	0.5
136.07661	0.6
144.03032	100.0
145.03378	2.6
150.05606	5.8
152.07181	1.9
160.07622	0.5
162.04105	3.8
206.08209	0.5
234.07742	1.6
261.08896	0.6
275.11893	0.5
279.09863	32.3
280.10199	1.6
297.07623	0.8
297.10910	15.3
298.11133	0.9
310.78900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01883	0.8
57.03431	0.7
59.01379	100.0
60.01706	1.1
61.98848	0.5
70.75421	0.6
70.75757	0.4
71.01381	23.1
73.02947	4.5
73.38725	0.5
75.00866	0.7
77.31821	0.5
83.01394	1.6
83.31258	0.5
85.02947	7.5
87.00875	1.1
89.02444	24.1
95.01389	1.0
99.00903	0.7
101.02446	17.5
101.03100	1.0
113.02451	9.6
113.03234	0.6
116.78743	0.5
119.03506	9.2
131.03523	1.0
135.06641	8.1
143.03535	2.4
149.04533	0.7
155.02019	0.6
159.03014	1.2
161.04565	11.3
163.20825	0.5
179.05630	7.1
198.08937	0.5
228.94099	0.6
237.09776	16.4
238.14017	0.5
242.91898	0.5
296.99667	0.8
297.11887	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78153	0.9
55.01864	2.4
57.03444	6.4
59.01375	5.5
69.03437	2.5
69.89156	1.8
71.01408	1.6
71.05017	22.4
72.13887	0.9
73.02938	9.6
79.05503	1.6
81.03455	4.4
83.05003	4.7
84.02183	1.1
85.02951	2.9
85.06598	2.1
95.05016	21.5
97.02973	1.2
97.06584	3.4
98.03691	2.5
99.04521	2.2
107.05016	1.5
109.06590	1.3
111.04543	6.1
111.08154	2.2
113.06083	75.9
114.06390	1.6
121.06596	7.7
122.03755	0.9
123.08161	11.0
123.18961	0.8
135.08138	2.0
136.05234	1.2
137.06081	2.7
139.07646	13.6
144.03146	0.9
147.08180	1.8
147.11688	1.1
155.07101	1.4
161.09714	1.1
169.10225	6.9
171.08182	2.2
175.11279	1.0
187.11336	6.2
189.12784	1.1
199.11287	4.4
202.09996	1.1
205.12286	2.7
215.10753	1.2
217.12325	13.9
235.13327	1.8
253.14409	3.9
297.13422	100.0
298.13861	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Tehranolide
Peak:m/z	Relative Intensity
52.04034	0.7
55.01875	1.7
57.03455	4.1
59.01382	4.8
69.03444	1.8
70.96354	0.7
70.96707	0.9
71.01397	1.4
71.05017	20.4
72.66636	0.6
73.02945	10.1
79.05514	1.1
81.03458	2.7
83.05030	5.1
84.02172	0.9
85.02959	3.5
85.06576	2.4
93.03455	1.1
95.05029	19.8
96.02179	1.1
97.06597	3.6
98.03737	2.4
99.04517	1.9
107.04993	0.9
109.06583	0.9
111.04507	5.1
111.08144	2.4
113.06089	72.3
114.06450	1.6
119.08675	1.0
121.06584	6.9
123.08159	9.5
135.08185	1.3
137.06111	1.0
139.07654	12.0
147.08183	1.6
161.06012	0.7
165.66914	0.8
169.10214	4.6
171.08131	1.0
175.11258	2.0
177.12871	0.9
182.74965	0.7
187.11292	5.2
189.12956	1.0
199.11290	3.7
202.10042	1.0
205.12320	2.8
215.10777	1.2
217.12323	14.2
218.12685	0.8
235.13292	1.1
253.14438	4.2
292.85800	0.7
297.13419	100.0
298.13760	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.207
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
50.54807	1.6
56.85888	1.8
57.68024	1.6
59.01369	7.2
65.57375	1.5
69.73009	2.4
69.73359	4.9
77.45241	1.6
79.58237	2.0
81.19698	1.7
85.06582	2.3
99.08150	3.0
100.99557	1.6
114.22709	1.9
115.07629	8.1
149.05995	2.0
169.12387	3.5
171.10225	3.4
181.12296	4.2
193.12418	1.9
197.11775	11.4
199.13367	6.4
211.13382	18.9
235.20500	2.0
279.19666	16.4
290.28854	1.8
297.20706	100.0
298.21115	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.44527	1.1
59.01363	1.2
70.69402	1.1
70.70847	1.1
131.14293	0.9
159.09949	1.0
163.48434	1.2
183.01219	3.8
184.76218	0.9
188.37061	1.0
189.95143	1.0
215.96217	0.9
251.23770	29.8
252.24158	3.0
279.23398	1.4
297.15320	13.0
297.24335	100.0
298.15552	1.8
298.24677	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.08678	3.2
59.01379	41.6
69.72885	3.4
71.45069	3.1
76.83286	3.2
81.97260	3.6
97.06578	6.7
99.92630	3.6
122.03726	4.5
135.04472	5.2
183.01218	19.8
242.55025	3.4
269.73795	3.9
279.23407	4.3
297.04520	4.2
297.15286	39.2
297.24365	100.0
298.15735	8.1
298.24576	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.24963	0.2
59.01374	0.3
68.52431	0.2
70.51080	0.3
70.73161	0.2
77.64405	0.2
86.09319	0.2
97.91598	0.2
106.47249	0.2
137.38136	0.2
138.16492	0.2
143.72481	0.2
183.01283	1.4
184.01892	0.3
197.15488	0.4
223.53819	0.2
251.23784	1.0
279.18686	0.6
279.23331	1.2
295.22876	0.8
297.15399	4.6
297.24332	100.0
298.15714	0.3
298.24683	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.72598	0.6
59.01376	1.1
61.08667	0.6
67.33182	0.6
70.96870	1.0
149.49628	0.7
156.89380	0.6
161.78082	0.6
169.12315	0.8
171.10229	0.8
183.01193	5.5
183.13893	21.1
184.14119	1.1
196.69997	0.5
197.15472	0.9
199.88139	0.7
279.23264	8.3
280.23422	0.6
295.22931	0.8
297.15338	11.2
297.24338	100.0
298.15561	0.7
298.24680	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.00022	1.1
57.49514	1.0
57.64148	1.0
59.01358	1.1
64.76704	1.0
70.43874	1.6
91.64529	0.9
105.05443	0.9
138.05550	1.1
148.85701	1.1
149.00945	4.8
155.14452	1.2
156.25044	1.2
183.01190	4.3
202.19075	1.1
223.02939	1.1
264.98587	2.1
279.23511	1.2
297.04724	7.6
297.15338	7.7
297.24350	100.0
298.04669	1.3
298.24722	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.49973	0.4
53.02637	0.4
53.94983	0.4
59.01370	0.8
71.07265	0.5
79.27232	0.4
95.17793	0.4
97.06605	0.5
100.17213	0.4
111.08150	0.5
113.09698	1.1
125.70436	0.4
127.60072	0.4
131.22729	0.4
139.64763	0.4
157.08701	9.6
166.10747	0.4
169.12320	1.1
182.63022	0.4
183.01248	1.1
261.22174	0.5
279.23288	15.1
280.23599	1.0
295.22769	1.2
297.15302	1.7
297.24329	100.0
298.24643	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
54.64750	0.5
55.13764	0.5
59.60096	0.4
70.75843	0.5
125.09696	0.5
127.11297	0.7
141.12802	1.2
149.00859	0.4
150.34419	0.4
153.12874	0.4
155.10747	2.9
171.10268	4.2
279.23248	6.6
295.22723	0.6
297.04742	1.0
297.24341	100.0
298.24692	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.31882	0.6
59.01360	0.5
61.82868	0.4
69.23981	1.6
69.24389	1.0
73.40504	0.5
98.22609	1.1
127.11289	1.8
141.81180	0.5
153.12865	0.8
153.28889	0.5
155.10745	1.0
171.10262	9.6
172.10536	0.6
183.01253	0.7
198.76033	0.6
270.69824	0.5
279.23303	11.6
280.23721	1.0
297.15527	2.5
297.24335	100.0
298.24655	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40084	0.6
51.60593	0.6
54.61831	0.6
59.01379	19.4
60.01719	0.6
61.98818	2.2
71.01375	10.7
71.40964	1.1
72.00913	17.0
72.01726	0.9
73.02943	4.1
74.02473	23.5
85.02962	2.1
85.08828	0.7
87.00881	1.2
88.04070	2.0
89.02442	14.4
90.02767	1.6
93.03445	6.9
96.04595	0.8
96.84212	0.7
96.96008	1.2
99.00898	0.7
101.02434	6.1
104.03578	0.9
105.01973	0.8
108.02174	2.3
113.02448	2.6
115.00385	0.8
116.07174	19.2
116.07966	1.3
117.01936	2.0
118.05107	100.0
119.03477	4.3
119.05414	1.5
133.05052	1.8
137.02446	10.7
137.06085	2.5
141.00429	0.8
145.06203	2.0
149.04518	0.8
157.03607	0.8
161.04565	0.8
163.06175	1.4
165.46616	0.8
179.05658	1.5
180.00702	0.9
181.07167	20.6
181.13733	0.8
195.05103	0.9
196.23584	0.8
201.02544	5.2
235.45319	0.8
253.09245	3.6
266.94180	0.8
298.06128	1.4
298.12463	1.1
299.07693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96494	0.9
59.01382	1.8
66.35999	0.9
69.03455	1.4
69.41889	3.6
70.02999	1.0
71.01382	20.3
71.05017	1.0
88.04044	56.3
90.29105	1.0
94.16003	0.8
96.99304	2.2
98.22560	1.5
100.90762	1.0
112.07710	7.4
113.09639	0.9
114.01963	2.3
115.00380	27.5
122.09808	1.2
126.73108	1.0
132.03044	2.3
139.11288	3.4
164.10818	1.5
182.11887	2.2
183.10287	17.5
184.09798	2.7
236.12915	8.2
237.13217	1.5
254.13959	17.5
280.11877	3.9
298.12955	100.0
299.13193	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.166
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
50.20372	0.6
51.46169	0.5
56.39370	0.6
57.03454	0.9
59.01381	4.9
71.01389	0.6
84.54161	0.6
85.02937	0.8
85.53374	0.6
86.02486	4.1
91.32335	0.6
96.00925	0.9
99.00874	1.2
100.04029	2.2
102.05584	1.9
106.04223	0.9
107.03776	1.2
107.05008	0.7
108.04562	1.3
110.02472	3.9
110.06172	0.8
111.03355	0.7
111.08129	0.6
118.25433	0.6
124.04055	1.9
126.05606	1.6
134.03734	0.9
135.11823	1.7
137.09729	0.8
141.04311	1.6
161.09746	4.8
162.12852	2.0
162.14140	0.8
177.86870	0.7
178.12369	3.7
179.10796	1.3
180.13921	0.9
192.13945	0.9
202.36330	0.7
204.13921	1.5
206.11874	1.4
211.13448	1.1
217.00299	1.3
220.13408	0.9
222.08961	1.0
222.11191	1.0
222.14909	1.8
224.12721	0.8
236.12984	1.3
248.12839	1.2
250.14534	0.9
254.13951	1.6
266.13959	28.0
267.14343	2.2
268.15573	10.1
269.04474	1.0
269.15839	0.8
280.15482	2.3
298.16583	100.0
299.16690	3.3
299.18799	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.20712	0.3
52.22852	0.3
53.54306	0.4
59.01375	3.0
61.16227	0.4
61.52696	0.3
63.02387	0.4
65.00336	0.4
69.30433	1.5
71.40929	0.3
74.13029	0.4
81.02911	0.3
83.01385	0.5
107.01388	1.4
113.53038	0.4
114.51579	0.4
118.05112	0.7
125.02498	0.5
132.02211	0.9
133.02975	0.4
134.03671	0.5
143.07185	0.7
151.00383	2.6
167.08638	0.4
174.99248	0.5
191.48012	0.3
211.03978	0.8
211.07628	0.4
211.13470	0.4
212.04695	0.4
217.00291	1.6
227.03410	2.0
239.03447	0.6
255.02972	1.5
256.03757	29.2
257.04099	1.6
268.58194	0.4
281.17514	0.4
283.02481	0.9
284.03250	100.0
285.03592	6.6
299.05588	74.1
299.18665	1.9
300.05899	4.8
300.17941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
52.17877	0.3
55.35476	0.4
57.03464	0.4
59.01377	12.0
65.03960	0.4
69.76886	1.0
71.01382	5.6
73.02932	0.9
75.30405	0.4
83.01406	0.4
85.02953	1.3
87.00913	0.4
89.02441	6.1
93.03457	60.6
94.03804	1.4
95.01420	0.5
98.22546	0.7
99.00881	0.4
101.02427	3.5
108.02181	6.3
109.02976	0.6
112.46513	0.3
113.02447	2.3
113.71372	0.3
118.58786	0.4
119.03510	2.4
119.05006	2.9
137.02443	100.0
138.02780	3.1
138.05591	3.3
140.12143	0.3
143.03453	0.4
152.01135	4.0
153.01913	1.1
161.04539	0.8
174.99225	0.6
217.00298	2.7
254.80698	0.4
299.07742	5.9
299.11011	0.7
299.13943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01377	8.0
62.38102	0.3
69.92166	0.7
69.92529	0.8
70.25392	0.3
71.01380	4.3
73.02930	0.8
74.21737	0.4
85.02943	1.5
89.02453	3.3
93.03455	59.7
94.03788	1.2
95.01385	0.4
101.02444	2.2
108.02170	12.2
109.02985	2.1
111.41174	0.4
113.02451	1.8
114.06426	0.3
119.03503	1.1
119.05004	1.6
123.03268	0.4
123.04459	0.3
136.51227	0.3
137.02440	100.0
138.02791	2.9
138.05600	3.7
143.13712	0.3
146.76685	0.4
148.99977	0.3
152.01146	7.7
153.01956	2.3
161.04514	0.4
174.99234	1.0
179.05505	0.4
216.34029	0.4
217.00247	2.3
299.07700	11.5
299.14185	0.7
300.08020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	56.5
65.02991	0.8
69.45033	4.5
71.01377	4.2
71.11864	1.0
76.68130	1.3
78.95954	1.1
83.01407	1.3
89.02486	1.3
92.74766	1.4
93.03465	64.4
94.03796	2.0
98.21917	2.2
101.02449	1.6
108.01675	0.9
108.02185	9.8
108.71322	1.1
109.02959	3.0
114.98851	1.5
117.00507	1.6
119.03508	1.1
137.02455	100.0
138.02789	2.8
141.03632	0.9
152.01152	6.1
153.01942	2.9
156.93184	1.3
156.99918	4.4
157.03648	1.9
171.05055	1.1
174.99236	8.1
179.03531	1.2
201.02547	27.3
202.02808	1.3
210.06165	1.5
217.00313	22.2
253.09349	1.2
258.08298	2.3
269.09845	2.5
269.12576	1.3
281.02969	1.6
293.81607	1.1
298.98907	1.3
299.07745	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01865	1.1
57.01278	0.6
57.03449	1.3
58.00590	1.5
59.01379	100.0
59.75432	0.7
60.81066	0.7
64.01593	0.7
71.01382	46.6
72.99317	2.3
73.02948	1.6
75.71876	0.7
83.01410	2.4
85.02961	8.3
87.00883	2.0
89.02444	64.9
90.02765	1.0
93.03465	0.9
95.01402	2.7
96.96028	1.2
98.22112	0.9
99.00852	1.0
101.01787	1.5
101.02450	29.1
107.05026	1.6
110.73009	0.7
113.02455	19.7
119.03513	27.9
119.04997	11.7
125.02468	0.9
131.03534	1.8
137.02461	1.8
137.05202	0.7
137.06049	3.7
138.05592	4.6
143.03534	2.9
143.11890	0.8
149.04570	2.0
161.04601	2.0
174.99297	2.2
179.05618	4.2
200.09349	0.8
217.00308	8.8
298.53839	1.0
299.11459	15.2
299.14996	2.4
300.11499	1.6
300.15662	1.6
300.19223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	7-Hydroxy-10-methoxydeacetyldihydrobotrydial
Peak:m/z	Relative Intensity
57.03452	2.2
58.29710	1.6
59.01377	100.0
60.01712	1.9
62.14483	1.5
62.67354	1.6
69.15585	4.1
69.15989	7.9
83.05029	2.1
85.02955	2.5
86.71978	1.8
87.04521	6.0
92.87128	1.8
125.09678	2.1
167.14420	55.1
168.14677	2.0
174.99261	12.0
187.13429	2.2
211.13399	88.2
212.13786	2.6
213.15007	7.6
217.00284	35.0
221.15506	1.8
227.16516	9.6
229.14430	90.3
230.14786	6.7
237.18643	9.8
239.16530	28.7
240.16946	3.2
246.59787	1.5
255.15935	3.1
257.17581	92.6
258.18069	6.2
263.16559	5.0
281.17554	33.3
282.17902	2.6
299.18655	38.7
299.21979	3.2
300.18927	4.1
318.64899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03439	2.3
59.01383	6.5
63.15539	0.5
69.03450	1.5
69.16813	3.3
71.01366	0.7
71.05020	1.2
73.02933	0.8
83.01356	0.8
83.05016	1.9
85.02946	6.9
87.00880	9.5
88.79837	0.5
95.05007	2.5
97.06594	11.2
99.08157	3.3
109.02982	0.7
109.06575	1.9
110.03754	1.2
111.08197	0.6
113.09737	0.6
121.06591	0.9
121.88773	0.5
125.06026	0.8
127.11287	1.7
130.08797	0.7
134.03711	1.5
135.08179	1.0
136.04773	0.8
137.09749	1.2
139.07614	0.8
139.11269	3.6
143.07130	6.8
147.08199	0.5
149.09737	4.2
155.10782	5.5
157.08640	1.0
165.09230	2.0
171.10310	0.6
174.99185	0.6
178.02736	0.7
179.03453	0.8
181.08711	1.6
183.10260	20.3
184.10608	1.1
193.08722	1.9
201.11336	9.7
210.80717	0.5
211.09772	1.4
211.13396	2.9
217.00310	1.6
219.17506	0.7
263.16525	3.4
281.17636	1.6
299.18637	100.0
300.18976	8.4
318.17606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01370	4.0
98.21791	1.0
138.22484	0.5
174.99252	1.2
211.11015	0.6
217.00261	4.6
253.25235	3.1
254.25616	0.6
281.24939	1.1
297.24481	1.0
299.25903	100.0
300.26245	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82866	0.2
59.01376	93.5
60.01699	0.7
71.42283	0.2
73.01433	0.2
74.99390	0.2
77.33514	0.2
78.43897	0.2
82.95419	0.3
91.08920	0.2
114.92018	0.2
114.98878	0.3
115.02512	10.7
116.02617	0.6
117.00439	10.7
117.95521	0.7
118.00533	0.5
141.00438	0.4
156.93044	0.8
156.99852	0.3
157.03560	2.3
158.92717	0.4
159.01489	100.0
159.96524	2.8
160.01617	6.0
161.01981	0.4
168.44789	0.2
174.99431	0.3
183.01173	0.2
201.02542	22.9
202.02673	1.9
203.02347	0.3
217.00516	1.1
241.00516	0.6
257.03702	0.4
259.01611	3.1
259.10666	0.2
260.01770	0.5
283.01437	0.4
301.02652	50.6
301.21729	1.0
302.02786	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61920	0.5
56.78686	0.4
59.01376	88.6
60.01735	0.6
63.50071	0.5
66.41729	0.5
69.99672	0.9
70.00029	0.9
72.99303	0.9
74.99363	0.6
77.30013	0.5
85.59613	0.5
87.00880	1.1
88.04033	1.1
96.00907	0.5
96.42288	0.5
108.02157	1.0
109.02958	1.1
114.01941	0.5
115.02502	10.1
116.98687	0.6
117.00435	7.7
123.00887	0.8
130.08733	14.0
131.09073	2.6
138.03185	0.6
139.04039	0.6
141.00502	0.6
147.06691	0.5
153.01956	1.1
157.03551	2.2
159.01488	100.0
160.01602	6.6
170.96086	0.7
188.07791	0.7
196.97704	1.2
201.02536	22.2
202.02719	2.1
203.02412	1.9
212.97273	1.0
217.00371	0.9
240.96507	0.6
241.07034	0.5
259.01639	3.4
260.04550	1.5
283.04694	0.9
284.12579	0.5
299.14597	0.9
301.02637	55.0
301.16238	2.2
301.21741	1.2
302.02744	7.4
302.05896	0.8
322.97748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0565
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
58.67988	0.6
59.01369	2.7
59.47253	0.6
61.98819	0.8
67.02549	0.5
67.34680	0.5
69.03455	1.6
70.94749	0.7
74.02504	0.6
79.01899	0.8
81.03456	1.1
83.01414	1.3
88.04035	1.2
89.39684	0.6
93.03455	0.6
95.01411	0.8
97.02956	3.1
107.01380	1.7
108.02160	5.7
109.02951	5.5
116.05064	1.3
123.00875	3.9
124.01666	16.4
125.02450	52.0
126.02773	1.4
130.06639	5.5
137.02420	1.3
137.06078	0.6
139.04030	0.7
141.98219	0.7
149.99585	25.0
151.00400	2.8
152.01163	3.4
153.01921	8.2
156.42644	0.7
157.43451	0.6
159.09245	0.6
167.03506	0.8
168.00638	74.1
169.01410	8.7
203.08313	2.7
213.03363	0.7
241.03801	1.4
283.04587	13.9
301.05612	100.0
301.21860	3.6
302.05893	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	Isotachioside
Peak:m/z	Relative Intensity
51.06430	0.3
59.01377	8.9
61.98819	0.6
69.71554	1.0
71.01379	5.1
73.02950	1.9
83.01385	0.7
85.02946	1.8
93.03448	1.8
94.03817	0.4
95.01381	5.2
99.00893	0.7
101.02441	3.0
108.02164	3.9
109.02952	4.1
113.02444	3.1
115.02516	0.7
117.00443	0.5
121.02963	2.5
123.00883	100.0
123.04530	1.2
124.01756	6.1
125.02431	1.0
126.05445	0.4
136.01671	0.7
137.02446	3.8
138.03227	62.6
139.04021	22.0
140.04295	0.4
147.00920	0.3
149.02449	2.5
150.03212	0.7
151.04024	2.4
152.01141	2.1
153.01926	4.1
159.00053	0.5
159.01498	7.2
159.02837	0.5
159.96666	0.4
161.04549	4.1
163.04016	0.9
166.02713	1.9
178.02745	1.1
179.03391	0.5
181.05063	5.8
193.05040	3.0
196.97754	0.8
197.03021	0.8
201.02573	1.7
203.02402	0.4
283.04630	4.2
300.99127	0.6
301.02670	3.4
301.05817	0.9
301.09155	4.1
301.21811	2.4
302.02689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.7
59.01379	57.4
59.60261	2.4
60.03822	2.6
61.98828	7.8
68.90674	2.5
69.75411	8.1
69.97413	2.7
71.01369	4.2
72.00900	8.9
74.02465	4.1
81.03457	3.8
83.01376	14.7
86.96710	2.2
88.04060	3.6
93.03442	6.5
94.03774	2.7
96.96030	3.1
99.82594	2.5
104.27649	2.2
107.01385	10.9
108.02169	45.0
109.02966	35.0
117.99090	3.2
123.00889	15.3
124.01666	5.8
125.02444	56.7
130.08769	4.8
137.02406	5.6
138.03195	9.9
139.02979	3.8
139.03973	12.8
147.04471	2.9
151.00377	59.1
152.01154	22.6
153.01930	56.2
159.01506	5.7
164.07129	5.2
168.00623	8.0
169.01395	19.0
170.05719	6.9
175.00365	5.0
185.57016	2.5
196.97716	3.0
211.02318	2.9
212.97240	3.0
223.15536	2.6
241.08275	34.2
258.14719	3.1
265.95795	3.4
283.04581	57.9
284.04926	3.9
300.93750	3.7
300.99014	3.6
301.05634	100.0
301.09128	4.5
301.21689	27.7
301.93256	4.2
302.05966	4.5
315.60840	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1446
Annotation	Enterodiol
Peak:m/z	Relative Intensity
60.41647	0.6
60.77931	0.6
69.28686	2.4
98.22643	1.2
102.54027	0.6
103.46467	0.5
106.14609	0.5
127.42050	0.5
142.97511	0.5
152.13243	0.5
172.05307	30.6
173.05684	1.1
185.06055	1.6
187.04005	0.7
204.04276	2.3
239.14526	0.9
255.13895	1.3
257.15408	3.6
283.13391	100.0
284.13712	7.6
301.14444	95.9
301.21732	2.5
302.14752	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81060	0.4
57.03511	0.7
57.46168	0.4
59.01139	0.8
59.01462	5.8
69.03532	0.8
69.44737	2.1
71.01038	2.2
71.01474	17.8
71.05099	0.9
79.39134	0.5
85.06741	0.4
87.00949	1.1
89.02544	1.9
95.05129	0.6
95.40114	0.5
97.06657	0.6
98.22650	0.9
99.08252	0.5
100.78433	0.5
102.30866	0.5
106.90098	0.4
107.05001	0.5
111.08211	1.0
125.09801	0.6
129.09314	1.4
156.76213	0.4
159.06743	0.5
161.10014	0.6
165.12833	3.5
167.14458	0.6
171.10350	1.0
183.13887	6.1
193.12405	1.8
199.04144	0.4
203.14461	0.7
211.13394	100.0
212.04730	0.7
212.13757	6.0
213.14931	2.1
215.03503	1.3
221.15463	0.7
227.03380	1.1
229.04977	0.5
229.14441	0.6
235.13356	0.6
237.18553	0.7
239.03477	1.5
240.04262	1.3
241.14467	8.7
243.02988	2.1
247.13141	0.7
253.14380	0.7
254.01991	0.7
255.16043	2.8
257.04630	2.6
265.14398	4.6
268.03751	1.0
269.04486	3.6
271.02277	1.1
271.15439	1.0
272.02936	0.5
283.15396	1.8
285.04056	6.3
286.04788	8.7
287.05038	0.6
301.07181	15.9
301.16388	2.6
301.20023	19.0
302.07291	1.0
302.20285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18097	1.0
56.44910	1.1
57.03440	2.1
59.01381	100.0
59.84044	1.2
62.81735	1.1
63.42041	1.2
68.27739	1.2
69.03451	1.4
69.48480	4.5
71.01374	9.0
71.05025	2.2
72.99336	1.2
73.02946	14.1
79.95757	1.3
85.06606	3.8
87.00896	1.5
90.98557	1.4
96.96028	3.5
97.06601	1.5
98.21867	1.3
106.79129	1.4
108.04573	4.4
111.08148	1.9
115.07653	11.3
124.07679	2.7
136.07680	11.3
139.11275	3.5
159.97517	1.2
165.12650	1.2
168.11897	1.0
171.10265	3.0
179.14394	1.4
183.13930	2.9
189.12970	1.9
207.13875	8.4
209.11848	1.6
211.13406	41.7
212.13780	2.3
213.15050	2.0
225.14999	7.6
227.12898	22.4
228.13391	1.3
229.14464	1.4
241.14496	7.5
251.12927	2.6
253.14328	1.3
255.16063	1.3
257.12991	22.0
265.14609	2.6
269.13959	3.2
283.15543	21.2
284.15851	2.4
301.03235	1.6
301.06335	1.7
301.16580	30.7
301.20239	83.8
302.10922	1.2
302.17133	2.8
302.20560	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97494	0.7
69.69372	0.3
69.69725	0.5
74.99077	0.7
78.95924	0.2
118.96176	1.0
126.16129	0.2
134.99394	5.3
136.97308	1.7
141.07423	0.5
143.05356	1.2
150.98839	0.3
159.08473	1.6
161.06398	5.5
173.42114	0.2
201.04080	0.4
203.05658	3.2
205.03528	0.8
215.05638	0.9
216.56190	0.2
217.07195	81.6
218.07306	5.6
235.08151	0.3
257.51587	0.2
283.11923	0.3
285.13467	35.1
286.13638	3.7
301.16577	100.0
302.16760	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1809
Annotation	16alpha-Hydroxyandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
56.94643	0.6
59.36430	0.6
61.94749	0.6
89.99795	0.6
144.74631	0.7
173.09680	0.9
175.11333	1.1
257.19162	1.6
301.18085	100.0
302.18478	8.1
302.21829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2018
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.01500	0.4
57.03442	2.5
59.01361	0.6
64.30843	0.3
67.55731	0.3
70.20174	0.7
70.20497	0.4
83.05026	0.4
92.01041	0.4
97.06581	1.0
99.08155	0.7
113.09726	1.1
123.08244	0.4
125.09706	3.4
127.11301	0.6
128.46854	0.4
139.11273	0.7
141.12827	0.4
161.46196	0.4
172.73877	0.3
187.09731	1.9
211.20708	0.4
221.19095	32.9
222.19377	2.5
237.18562	0.6
239.20203	3.0
257.21164	2.1
265.18088	18.1
266.18454	1.4
283.19147	17.4
283.21509	0.4
284.19397	0.9
301.20181	100.0
302.20517	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.29284	1.0
53.92891	0.9
57.03436	1.1
58.14133	0.9
59.01365	2.5
69.03424	1.4
71.01357	1.0
72.99305	2.0
83.05009	1.4
84.43867	0.9
85.02914	1.1
87.00872	1.4
97.06586	7.3
99.08150	9.7
127.11257	2.0
129.09171	1.2
132.46638	0.9
139.07607	1.5
139.11273	5.5
141.05568	0.9
143.07103	2.1
152.75745	1.0
155.10757	5.0
171.10211	1.2
181.08716	1.3
183.10258	27.9
201.11337	12.2
211.13295	1.3
221.15535	2.1
239.16418	1.1
265.17963	1.1
283.15488	2.2
283.18829	1.0
300.99799	3.0
301.16544	8.7
301.20102	100.0
302.20447	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2021
Annotation	Emedastine
Peak:m/z	Relative Intensity
56.72136	0.4
57.03435	1.1
59.01376	1.3
69.03471	0.4
69.22573	1.6
71.01395	0.7
71.05026	0.7
72.99323	0.4
77.03510	0.3
82.66235	0.3
83.05025	0.9
85.06593	5.0
87.08144	0.6
93.14179	0.3
95.05060	0.6
95.34435	0.3
96.96011	0.5
97.06599	1.5
111.08163	1.5
113.06075	0.6
115.07648	12.0
123.08197	0.5
125.09682	1.3
129.09242	1.7
131.16768	0.3
139.07677	0.5
139.11285	4.0
143.10765	0.8
151.07632	0.7
157.12321	0.8
159.89314	0.5
185.09708	0.6
201.12961	0.3
211.13412	1.2
219.13971	0.8
237.18616	1.0
241.14458	0.8
242.00664	0.4
255.19687	1.6
263.12894	0.9
273.07666	0.4
300.96948	0.6
300.99893	1.3
301.20197	100.0
301.97485	1.2
302.20535	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2173
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
50.77008	1.7
52.46768	1.4
56.55746	1.4
59.01379	16.6
61.46063	1.4
69.23386	7.9
73.85995	1.4
79.56366	1.4
83.05020	2.5
98.22584	3.4
116.92870	2.5
174.48509	1.5
195.64969	1.5
203.18040	5.9
257.22748	26.6
299.59601	1.5
300.99973	3.4
301.21738	100.0
302.22070	6.6
303.28003	1.4
304.50836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06333	14.9
54.97932	16.3
56.39091	14.2
69.03447	19.4
69.21431	17.1
78.02581	15.4
79.90798	14.2
82.70645	13.4
83.01370	19.1
84.69006	13.7
96.96002	82.5
98.21801	34.0
113.97980	15.2
134.06535	16.6
185.11865	18.2
201.11359	49.4
228.91902	18.4
259.15662	29.6
302.11145	100.0
302.22372	21.1
303.14594	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
70.68212	0.3
72.99303	0.2
73.02936	1.1
79.95741	1.5
81.97119	0.2
83.05017	0.3
96.05251	0.2
96.96009	100.0
97.95967	0.2
105.65496	0.3
137.06097	0.2
163.06384	0.3
193.28893	0.2
203.38217	0.2
212.16827	0.2
303.09109	2.8
303.14697	0.3
303.18201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39539	0.3
58.02977	0.3
59.01381	6.3
59.24429	0.2
70.50828	0.3
71.01385	0.5
73.02948	1.0
74.02479	0.6
79.95735	5.0
88.24110	0.3
95.95255	0.8
96.96014	100.0
101.02423	0.7
115.84245	0.3
116.70883	0.2
125.50259	0.3
130.08788	0.4
143.04636	1.5
149.99927	0.4
167.00215	0.5
167.10785	0.3
177.03392	2.4
185.11847	1.2
225.11351	0.4
303.09085	45.6
304.09335	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13657	0.9
57.03447	4.2
58.00591	2.8
59.01378	30.2
61.28203	0.9
67.91891	0.9
69.03437	1.0
71.01382	45.4
73.02957	5.6
75.00878	1.6
79.95741	2.6
83.01361	1.2
83.05020	1.1
85.02944	3.1
85.09808	0.9
89.02461	5.9
93.59369	0.9
96.96016	58.8
97.06584	1.6
98.22655	2.8
101.02446	11.4
108.02183	1.2
110.03751	1.2
113.02444	7.5
125.09718	4.0
127.11279	7.5
130.59387	1.0
131.03540	2.1
132.16457	0.8
132.51521	0.9
135.81784	0.9
137.09763	1.6
139.11305	3.6
149.09740	3.1
151.11278	3.6
153.09200	2.4
155.10794	15.7
157.12366	3.5
163.11292	1.3
165.09232	1.8
167.10774	21.0
169.12361	1.4
171.10266	22.1
174.12900	2.5
177.12732	1.1
181.12381	1.2
183.10170	1.3
185.11830	81.7
186.12198	4.3
195.10252	15.4
195.13927	1.6
199.13371	8.4
201.11263	1.5
205.12376	1.1
207.10225	2.1
213.11319	100.0
214.11563	6.4
221.11838	2.9
223.13261	2.2
225.11324	9.7
227.12921	2.4
229.14326	1.2
237.11418	1.3
239.12921	3.3
243.12376	2.5
249.11324	4.3
255.12294	3.3
267.12430	3.8
303.09106	11.2
303.14325	4.7
304.09531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60367	0.9
57.03451	4.5
57.06827	0.8
58.00588	4.7
59.01376	31.6
66.31033	0.8
69.03455	1.9
69.19351	5.3
71.01380	45.0
73.02927	6.3
75.00877	1.8
79.95714	2.0
83.01366	1.5
83.05007	1.9
85.02940	3.3
87.74577	0.8
87.78878	0.9
89.02441	9.3
95.05006	2.0
96.96008	29.6
98.22632	1.6
101.02438	10.9
109.02879	0.9
109.06564	1.5
110.03719	0.9
111.08130	0.9
112.16705	1.0
113.02435	6.2
123.04540	1.2
125.09746	3.3
127.11282	8.7
131.03485	2.3
137.09708	2.4
139.11259	4.0
145.80946	0.9
149.09698	2.7
151.11264	4.1
153.09196	2.5
155.10767	16.1
157.12334	2.9
163.11253	1.5
165.09097	1.2
167.10768	20.0
169.12370	2.0
171.10260	23.5
174.12836	1.6
181.12366	1.0
183.10197	1.9
185.11824	88.0
186.12189	3.5
191.03433	1.0
191.99603	1.0
195.10249	14.1
196.10518	1.4
199.13391	7.4
207.10242	3.6
213.11313	100.0
214.11729	5.6
221.11806	4.2
223.13446	3.1
225.11314	11.7
227.12878	2.7
237.11330	1.3
239.12834	3.0
243.12343	2.2
246.85201	1.0
249.11360	2.5
255.12335	1.6
262.97876	1.0
267.12357	3.2
285.13513	1.0
303.09149	8.8
303.14450	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.9
59.55169	0.8
69.03455	2.3
69.74294	2.4
71.01374	1.6
71.05011	1.3
72.97003	0.8
78.84235	0.9
83.05019	2.4
86.89267	0.9
93.03442	0.9
95.05051	2.2
97.06592	20.1
99.08161	7.6
115.05585	0.9
116.86766	0.8
119.05003	1.2
121.10233	1.3
123.08170	6.5
125.09724	8.2
133.10228	1.5
137.09688	1.5
145.10289	0.9
147.11813	2.3
149.09724	1.1
151.11234	4.5
154.84271	0.8
159.11732	1.1
165.12941	0.8
177.12865	1.4
193.12328	1.2
203.10770	1.2
205.12128	1.9
241.19641	6.6
248.75690	0.9
259.20642	8.9
275.16977	1.2
275.20129	11.9
276.20621	1.0
285.18607	23.0
286.19037	1.9
287.16431	1.0
301.18073	0.9
303.19647	100.0
304.19919	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
83.05029	2.0
97.06590	5.4
99.08159	3.6
111.78316	1.4
121.46214	1.4
123.08157	3.1
125.09767	2.3
126.79504	1.4
127.09586	1.4
129.34036	1.3
161.66299	1.4
169.12346	3.9
237.89105	1.4
241.19630	3.2
259.20682	6.0
275.20166	10.2
285.18610	15.8
286.69186	1.4
301.18265	2.5
303.19653	100.0
304.19907	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2328
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
59.01381	8.1
60.77660	0.7
64.18729	0.5
64.57330	0.6
70.70276	1.0
85.10474	0.6
85.33998	0.7
95.34532	0.6
111.00896	0.6
149.31076	0.6
168.55493	0.8
173.47073	0.7
177.09248	0.7
205.19609	2.7
206.20055	0.7
231.21132	1.0
234.25496	0.6
259.24295	10.3
260.24802	0.8
269.48279	0.7
285.22418	0.8
303.23273	100.0
304.23587	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70347	0.3
59.01379	19.9
60.01714	2.5
61.01807	0.6
61.98830	100.0
65.62159	0.3
69.08722	1.5
115.02520	0.6
116.02632	0.5
117.02252	1.1
117.95535	0.6
117.97337	0.6
118.00612	0.5
118.97592	0.5
119.00223	0.9
119.95299	2.4
120.57032	0.3
134.97079	1.7
146.82059	0.3
159.01494	3.0
159.96573	2.3
160.01613	8.8
160.96811	0.6
161.01205	10.3
161.96269	7.0
161.98950	21.1
162.01472	2.4
162.96518	4.0
162.99059	0.8
176.98181	0.9
184.63170	0.3
201.02554	0.6
202.02699	2.5
203.02316	2.0
204.00014	4.3
204.03004	0.8
212.39348	0.3
261.99063	0.5
262.01535	0.7
304.00104	12.9
304.02820	9.7
305.00122	1.0
305.02701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13451	4.3
58.05316	3.9
59.01376	10.2
59.71932	4.3
59.92924	4.3
60.17126	4.6
69.92512	4.4
69.92835	10.8
73.01131	4.1
85.02954	4.6
96.96011	100.0
97.96006	5.2
98.95571	8.2
120.99627	5.0
152.41577	3.8
159.79449	4.3
189.28802	4.3
210.96484	4.1
293.78705	4.4
305.10522	21.3
305.16095	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	38.6
59.01345	0.5
61.45471	0.4
69.72910	1.4
71.71849	0.4
95.46329	0.4
98.21920	0.8
134.87535	0.4
168.13928	100.0
169.14275	3.6
188.22882	0.4
212.12891	1.8
219.01593	0.4
304.19284	1.4
305.17532	1.6
309.68106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
59.01379	43.7
60.01692	0.6
61.98818	1.0
69.51062	1.2
69.51474	1.7
69.60583	0.6
71.01379	7.8
71.05055	0.7
72.99302	0.9
73.02952	4.0
79.95751	2.4
83.01389	1.8
83.49622	0.5
85.02956	4.1
89.02458	1.8
96.96014	100.0
97.06550	0.8
99.00883	2.2
101.02440	5.6
105.33733	0.7
113.02474	2.9
119.03555	0.6
128.03537	0.9
133.02917	0.7
135.08144	1.2
143.04660	0.6
143.10768	0.8
147.08145	1.9
149.06091	0.8
161.04642	2.8
181.12422	0.7
191.41483	0.5
205.14362	0.8
225.11324	25.6
226.11676	1.6
259.32773	0.6
272.24686	0.6
305.07010	86.9
305.16251	2.5
306.07263	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.5
60.13315	0.4
64.92960	0.5
69.41556	2.1
71.01393	1.0
73.78899	0.4
74.59739	0.4
78.90561	0.4
79.95732	2.2
84.41930	0.5
93.70147	0.4
96.96011	100.0
97.06596	0.8
98.22065	1.2
98.22624	0.6
103.15373	0.4
113.02470	0.5
117.46150	0.5
118.45180	0.4
119.99764	0.5
147.08182	1.4
161.04533	0.5
225.11310	22.7
226.11781	0.8
257.93893	0.5
281.41919	0.6
305.07010	79.9
306.07294	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01387	1.5
61.98827	0.9
64.21419	0.3
71.01385	1.1
75.35572	0.3
79.95735	10.4
80.96519	1.5
85.02940	2.4
95.08665	0.4
96.26757	0.3
96.96011	100.0
97.04104	0.3
97.95979	0.3
98.95580	1.4
98.96441	0.3
101.02448	0.5
119.03469	0.3
121.06593	3.5
134.03723	0.3
135.04523	0.4
137.09717	16.3
138.10069	0.7
152.87534	0.3
158.03755	0.9
167.00198	5.6
169.45181	0.3
172.05315	0.4
173.06068	0.6
191.00468	0.7
202.02722	0.6
217.05070	1.2
223.13304	0.7
250.01791	0.9
275.04443	0.4
305.10641	60.6
306.10965	4.5
325.14279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01377	1.5
69.18428	1.0
71.01376	1.0
71.05014	0.3
73.02945	0.6
74.02518	0.2
79.95731	1.6
85.02959	0.6
87.04520	0.4
89.02440	0.2
96.96011	100.0
97.02978	0.2
97.95943	0.2
99.00874	1.1
101.02428	0.4
113.02480	0.3
115.07651	0.2
121.11994	0.2
123.80532	0.2
133.02928	1.0
145.08740	0.2
160.06462	0.3
161.04503	0.2
161.07228	0.4
189.06767	0.3
193.71692	0.2
205.14452	2.1
212.80803	0.2
215.12874	0.5
229.09932	0.4
261.08017	0.2
305.10651	40.7
306.10959	2.8
326.76535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74564	1.7
57.03453	2.9
58.00600	2.3
59.01379	100.0
61.98836	3.2
69.03458	2.2
69.43301	8.2
71.01383	49.0
73.02940	11.7
78.91885	13.4
79.55490	1.5
79.95735	2.8
81.07105	7.4
83.01398	6.8
83.05058	1.8
85.02943	21.6
87.00867	2.9
87.04547	2.7
89.02441	43.9
93.03478	2.0
95.01388	2.1
96.96011	25.5
97.03011	2.0
98.21740	3.1
99.00855	3.0
101.02434	36.5
113.02453	19.5
119.03499	19.8
125.06091	4.3
132.02208	2.5
133.02950	24.9
135.04527	13.7
141.09280	2.2
143.03471	2.8
143.07135	2.8
149.02460	6.7
159.06607	3.5
159.94014	2.0
161.04597	8.3
167.99013	2.4
177.01945	4.2
178.02805	2.1
179.05573	1.9
184.02641	1.9
186.97040	1.9
225.11374	6.1
261.13446	7.7
267.00485	1.9
305.03693	3.6
305.06897	28.2
305.12424	45.9
305.16003	12.6
305.19376	3.1
306.07202	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01382	17.2
64.66237	0.6
68.23805	0.6
69.03444	3.1
70.72755	1.3
71.05016	3.4
74.39493	0.6
81.60552	0.7
81.61747	0.6
83.05056	0.7
95.05009	2.4
106.22001	0.8
109.06592	2.0
111.04535	0.7
125.09774	1.1
134.79224	0.6
135.08130	1.1
149.09726	1.6
158.41957	0.7
165.09251	1.1
165.50848	0.6
167.10767	4.4
177.12825	1.8
179.10773	1.1
179.14407	4.8
190.23238	0.6
195.13916	11.1
205.12323	9.3
206.12727	0.7
223.13399	100.0
224.13702	5.9
243.17583	1.5
245.11592	11.3
249.14925	1.1
260.49005	0.8
261.05554	2.8
261.18439	0.7
275.03424	1.0
287.16483	7.0
289.05121	1.5
290.05783	2.2
300.93915	0.8
305.04800	1.2
305.08362	3.8
305.13693	10.6
305.17566	15.5
306.17920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.42337	1.4
57.03450	12.4
59.01377	8.4
59.73294	1.4
70.75294	2.4
71.05017	2.3
83.05016	6.8
93.03454	2.4
97.06571	3.7
99.08158	1.7
107.08666	4.4
113.70559	1.5
123.08173	3.1
125.09731	4.6
135.08148	5.6
137.09674	2.6
149.09703	3.5
189.12804	2.1
196.07539	1.8
199.09712	1.5
207.13974	3.1
209.11818	3.7
211.13431	3.3
219.17455	1.8
235.16989	4.8
243.17517	17.0
245.15402	5.2
247.13397	12.6
261.18619	6.0
263.16501	15.1
269.15247	1.9
277.18036	11.2
287.16531	47.7
288.16809	4.9
293.61893	1.6
305.17572	100.0
306.17978	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01871	3.9
57.03434	1.3
59.01378	11.6
69.03452	2.2
69.72421	1.1
71.05015	15.4
71.07865	1.4
73.02942	6.6
83.05013	2.1
85.02945	1.2
85.62172	1.1
93.03480	1.7
95.05006	2.5
97.02968	1.3
97.06580	5.4
99.04517	100.0
100.04833	3.0
106.04220	1.8
107.05018	3.6
107.08640	2.2
109.02950	1.1
109.06589	4.5
110.03744	1.4
113.06103	1.9
119.05050	1.3
121.06612	3.6
121.10265	1.5
123.08165	23.0
125.06084	9.4
135.08159	2.9
136.05287	4.3
138.06848	1.6
142.99863	1.2
147.08218	1.9
149.09711	10.4
154.32686	1.1
159.08101	1.2
161.09724	4.3
161.13347	2.5
162.06903	1.8
164.08479	2.0
167.10791	2.0
175.11319	2.5
175.14777	1.3
183.30299	1.2
189.12871	5.0
193.12332	4.6
195.13936	2.1
205.12338	5.5
215.14354	1.5
219.13875	8.8
221.15565	1.2
231.13881	2.8
243.15007	2.3
243.17526	44.6
244.17860	4.1
249.14954	4.0
261.18445	2.6
269.15414	5.9
287.16531	81.3
288.16708	6.8
305.17578	94.5
306.17844	9.0
316.14404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03447	2.8
59.01369	2.5
65.03950	3.2
69.69279	4.0
71.05025	7.0
73.11203	0.9
79.05525	14.9
84.91822	1.0
93.03442	2.1
96.86752	1.0
97.06587	15.5
98.21950	1.1
106.04229	9.0
107.05032	2.9
109.06600	3.0
119.05011	1.3
120.05784	5.6
120.31080	1.1
121.06590	3.5
123.08163	7.1
125.09727	15.8
133.06586	1.4
135.08163	100.0
136.08444	3.2
137.09698	2.5
151.11212	2.2
159.08224	1.1
163.11292	1.5
177.12846	1.5
185.11835	2.8
189.12804	2.1
205.15909	7.0
207.10297	2.2
209.11766	2.4
221.11694	1.5
249.14954	50.3
250.15329	4.4
263.16675	1.8
269.15540	1.7
287.16541	7.3
305.04456	1.3
305.17566	80.4
306.17877	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05992	2.1
59.01372	13.0
61.98837	3.7
69.12805	5.0
69.13219	8.1
85.50423	2.1
87.22001	2.4
99.04512	9.4
109.06558	2.5
123.08125	5.0
135.08185	6.6
141.01723	8.1
149.09691	4.0
151.07669	2.7
153.09094	2.1
163.07645	3.4
167.10742	3.7
167.17000	2.3
169.14470	2.2
186.66533	2.1
189.12785	5.0
194.98949	2.3
205.12338	2.1
209.11774	2.0
231.13808	2.2
233.19173	2.4
233.97600	2.4
243.17540	22.8
249.15082	3.3
259.17059	3.2
261.18536	5.9
265.66721	2.7
266.92252	2.6
287.16644	23.1
305.17584	100.0
306.17889	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01353	0.6
69.05105	3.1
72.10697	0.5
92.65723	0.6
108.71490	0.4
116.92854	0.5
141.41043	0.4
141.50256	0.5
144.68907	0.5
184.17592	0.5
234.42851	0.4
303.23312	0.5
305.24847	100.0
306.25183	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27405	56.2
94.46420	51.9
97.88415	55.3
123.22395	66.3
140.15752	56.8
157.02837	74.3
183.47864	58.9
226.87668	70.2
259.24274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24628	0.7
59.01373	4.5
61.98829	100.0
69.90810	1.5
89.25546	0.6
97.77722	0.6
100.04100	0.7
101.02464	0.7
137.41628	0.7
148.04430	2.8
205.76248	0.6
232.06595	0.7
306.03256	5.7
307.10458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53798	0.6
59.01377	7.9
59.83055	0.7
61.98822	8.2
62.84053	0.5
64.30551	0.6
65.77471	0.6
71.01376	1.6
72.00905	17.4
77.60067	0.6
85.02936	0.8
91.05535	1.3
92.04925	0.6
103.05536	1.4
117.00484	1.1
118.06606	0.7
119.04976	0.7
126.00451	1.8
133.02977	0.8
135.04541	3.3
137.06119	0.7
142.97820	0.6
147.04520	52.1
148.04906	1.3
148.96751	0.7
153.05582	0.8
153.99928	1.4
161.02484	2.2
164.07153	100.0
165.07507	4.1
172.01004	15.8
172.02429	1.1
173.01060	1.0
179.03485	2.5
179.05119	0.6
264.07248	3.0
265.07602	0.7
279.45828	0.6
306.08328	61.6
307.08179	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83244	2.0
59.01368	3.0
60.98145	1.8
61.98821	6.4
63.71061	1.8
67.06728	2.0
76.44558	2.3
80.96519	5.5
83.01428	2.3
94.07423	2.2
96.96010	3.7
99.04498	4.6
100.04050	2.3
115.05135	2.1
133.02928	3.2
161.04550	3.2
163.99350	2.9
171.10287	16.8
179.03503	2.4
180.06725	3.6
183.58211	2.2
188.08624	2.2
189.99687	22.4
190.98878	3.7
191.00464	44.1
209.11823	4.1
224.16588	16.0
236.00197	2.1
250.01773	100.0
251.02037	8.0
271.15475	7.5
306.04437	9.2
306.17853	3.3
307.08524	4.3
307.11801	6.8
307.19281	2.8
329.05597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.4
66.08022	0.6
69.44178	2.1
71.01392	1.5
73.02935	0.7
80.91682	2.6
80.96526	1.2
81.03461	0.8
85.02950	3.0
94.03008	1.0
98.95603	0.8
101.02460	0.9
107.05005	0.6
108.04568	0.9
109.02950	100.0
109.46716	0.7
110.02554	1.0
110.03308	2.7
119.05036	1.3
121.06599	0.9
122.06115	1.3
133.02983	5.1
134.03751	1.0
135.04520	50.4
136.04015	2.5
136.04892	1.7
136.07697	1.5
138.05637	3.5
142.97842	1.7
149.02423	0.6
150.05655	3.2
152.07098	1.2
161.02434	14.7
161.04510	1.0
161.07053	0.6
170.04643	0.9
179.03499	52.4
180.03801	2.3
193.02928	0.7
194.39670	0.7
203.03455	0.7
220.13148	1.0
227.08279	0.7
246.11325	0.9
259.10876	1.1
262.02628	0.6
263.13791	3.1
271.08246	24.7
271.10959	5.0
272.08627	1.6
289.04218	0.9
289.07120	1.7
289.11871	4.9
307.02838	1.3
307.08255	16.5
307.12823	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
54.34267	0.6
55.01867	0.6
59.01378	19.5
68.18712	0.5
69.39944	2.7
70.53999	0.6
71.01370	7.9
73.02923	1.4
80.96513	1.8
83.01373	1.0
85.02946	15.0
87.00866	1.9
89.02444	6.5
94.99312	0.7
95.01392	1.0
96.96002	1.9
99.08145	1.4
101.02422	5.3
109.02937	1.2
110.02480	1.8
113.02440	3.3
117.03451	0.7
119.03517	3.2
120.99660	8.0
121.02927	0.8
127.04012	1.7
127.07666	2.5
132.02167	1.3
132.03062	1.4
133.01900	0.9
133.02950	31.1
134.03688	2.5
135.04521	43.8
136.04846	2.1
136.07678	4.8
140.03616	0.7
145.08702	3.4
149.06097	0.8
150.03172	1.8
161.02438	100.0
162.02763	4.4
170.04553	3.1
173.11554	0.8
177.05594	1.9
178.02756	2.0
179.03484	39.2
180.03847	1.0
182.11868	0.6
203.03473	4.5
221.04582	1.4
245.08208	1.0
247.10901	0.6
257.13776	0.6
289.07098	4.6
307.08264	56.4
307.13843	25.6
308.08566	3.9
308.14374	1.1
316.71060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.31010	0.4
52.21188	0.4
57.01730	0.4
59.01379	32.5
60.01701	0.4
69.55074	1.7
75.61633	0.3
79.95731	1.1
96.96008	100.0
123.08189	0.7
123.96630	0.4
124.80981	0.4
135.04498	0.4
142.57095	0.5
167.10786	1.6
179.03479	0.7
219.11772	0.4
219.48695	0.4
219.98082	0.4
227.12888	21.2
228.13199	1.2
307.08551	88.0
308.08847	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81725	0.5
53.02496	0.4
69.11107	2.4
69.24213	0.4
74.99078	6.6
91.02201	3.1
93.00138	1.2
116.99374	0.4
122.11197	0.5
143.05315	0.5
146.26259	0.5
149.00929	2.3
159.08463	7.5
161.06369	1.2
192.98096	0.9
195.13908	0.5
206.99696	1.2
209.01295	2.5
209.11949	0.6
223.02821	49.5
224.02942	3.4
241.03874	0.7
275.06229	0.4
289.07605	2.1
289.18149	2.1
291.09091	100.0
292.09207	9.8
307.12231	3.8
307.19150	3.2
307.22565	0.9
308.12350	0.4
309.10144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54559	0.3
58.31666	0.2
59.96711	0.4
61.60662	0.2
70.65900	0.5
74.99068	7.1
83.14320	0.3
91.02210	2.3
93.00139	1.6
143.05348	0.4
149.00934	2.1
151.97762	0.2
157.18478	0.3
159.08467	7.0
161.06401	1.3
176.18774	0.3
192.98198	1.0
206.99710	1.7
209.01299	2.1
210.01369	0.3
217.07173	0.8
223.02826	48.9
224.02861	3.8
225.00732	0.3
241.03899	0.8
245.19022	0.3
289.07538	1.9
289.18109	0.5
291.09094	100.0
292.09219	10.2
307.12186	3.9
307.19016	1.3
308.12357	0.5
309.10089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83254	0.5
59.01377	100.0
60.01712	1.0
66.76089	0.5
69.40418	0.4
70.96857	0.7
71.01376	3.8
85.02956	2.8
85.41539	0.6
87.00922	0.6
89.02437	4.2
90.64957	0.6
96.96033	1.3
97.02950	0.5
99.08213	0.6
101.02454	2.8
109.02928	0.5
113.02456	1.4
119.03530	2.6
119.45366	0.6
120.99650	21.7
127.07632	1.1
132.03021	2.6
133.02954	2.7
134.03757	0.8
135.04526	7.4
138.51550	0.5
145.08765	1.7
161.02443	7.7
161.04562	1.2
179.03477	5.7
179.05728	0.5
213.81508	0.5
247.11867	0.9
307.08414	5.0
307.13947	14.6
308.08255	0.9
308.14404	0.7
314.80673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.8
67.18127	0.8
68.47387	0.8
70.50349	1.4
71.01382	23.6
71.01781	1.4
73.02952	2.7
81.11626	0.8
83.01384	2.5
85.02951	6.7
87.00893	1.2
89.02453	18.9
95.01397	2.1
99.08170	20.2
101.02448	15.5
113.02451	9.8
119.03486	6.2
127.07661	3.0
129.09195	1.7
141.09271	1.2
145.08714	54.9
146.09009	1.7
161.04536	1.5
187.09695	2.3
225.11359	2.5
248.07179	1.0
256.17499	1.0
256.68970	1.0
307.13998	100.0
308.14325	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.3
69.25578	3.0
71.01378	6.7
73.64653	0.7
75.00886	0.7
85.02965	2.0
89.02440	6.5
94.99286	0.8
96.96011	8.6
98.22222	3.3
98.95610	3.5
101.02428	3.7
113.02473	1.9
119.03517	2.7
120.99664	6.7
133.02963	2.1
135.04535	6.2
138.05623	2.5
146.06146	1.5
148.96794	0.8
151.91020	0.6
161.02467	3.7
173.98862	0.7
179.03482	5.2
193.05009	0.9
214.33247	0.9
225.11197	0.8
288.65475	0.7
297.50916	0.8
307.08469	7.9
307.14246	5.0
308.08292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.1
71.43390	2.9
74.75957	2.4
90.20179	2.3
123.08035	2.5
135.04521	2.7
193.16057	2.9
195.13922	13.5
207.13879	30.3
209.11807	2.6
223.13409	14.5
225.14934	100.0
226.15337	6.9
229.56522	2.4
233.11562	14.0
237.14949	33.2
245.11514	4.1
245.19040	5.7
247.13182	18.4
289.18079	31.9
291.12317	2.7
307.05823	4.8
307.15118	18.0
307.19110	45.0
308.15906	2.9
308.19299	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.16854	2.4
55.01848	3.7
56.31309	2.5
57.03454	4.9
59.01373	5.8
61.54190	2.9
64.41216	2.6
65.03958	53.2
69.03437	2.9
69.10945	6.1
69.11352	11.8
71.05021	37.7
83.05043	13.0
83.47002	2.9
85.06621	2.8
93.03456	10.1
97.06583	63.0
109.06631	3.4
111.08141	4.4
117.07101	8.6
119.08650	23.1
121.06590	79.3
123.08150	6.5
125.09732	39.1
135.08159	44.5
137.09721	5.0
138.06828	4.2
171.10271	33.0
177.12952	3.5
185.11823	72.3
186.12123	4.2
191.14403	4.0
205.15942	4.5
209.11812	40.0
210.12231	2.9
211.13380	42.1
231.13853	6.6
233.15440	16.3
235.13368	85.2
236.13702	7.5
245.19135	7.9
247.96548	2.8
249.14952	21.4
271.17145	5.8
279.19662	5.9
289.18082	100.0
290.18234	8.2
307.19113	64.8
308.19394	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.02902	0.9
55.97154	1.1
56.65208	1.0
58.85666	0.9
59.01374	1.7
62.79813	1.0
69.68986	3.8
71.05026	3.9
74.86443	0.9
79.41128	1.0
80.02694	1.5
81.03460	2.1
83.05025	1.7
95.05039	1.8
98.22532	1.9
109.06580	11.8
111.04521	5.4
127.07655	3.3
137.09628	1.1
143.10793	2.4
145.06602	1.8
167.10728	3.2
191.14447	1.3
195.13889	3.0
235.13332	1.2
245.19023	7.2
251.16466	1.1
287.16400	2.2
289.18079	100.0
290.18454	7.4
307.19135	11.6
316.15085	1.0
316.25754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90600	0.7
71.01363	1.1
74.90997	0.6
79.40157	0.6
80.40277	0.6
94.74498	0.7
97.06583	2.8
98.06924	0.7
98.22675	1.9
110.03755	1.5
110.83498	0.7
111.04492	1.4
116.09775	0.7
119.08672	1.2
121.06594	2.9
125.09761	0.9
147.08266	1.0
165.12798	1.4
169.27589	0.8
175.11290	2.5
177.68733	0.7
193.12209	1.8
209.11839	7.8
211.13361	0.7
219.10358	0.8
231.12141	0.9
237.11324	37.2
238.11554	2.0
289.18161	4.7
307.19135	100.0
308.19495	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65521	2.1
57.03437	7.2
59.01373	6.1
69.03453	4.3
70.41411	3.0
79.48016	2.3
80.02647	2.6
81.03445	7.8
82.60435	2.5
83.01376	9.4
83.05020	6.6
88.68070	2.6
95.05005	3.5
96.02164	2.4
97.02945	7.2
97.06592	11.3
110.03710	6.2
121.10205	2.4
123.04511	7.9
123.08120	5.6
125.09739	24.2
135.08133	5.7
137.06058	2.8
137.09697	18.9
149.06018	4.0
151.11264	2.9
163.07640	3.1
163.11252	19.9
165.12840	5.5
167.10774	3.5
171.10384	3.3
181.12355	3.0
185.11790	21.6
191.10681	3.5
191.14417	21.8
207.10255	9.7
209.11830	50.7
225.11342	11.7
245.19069	44.3
246.19371	2.8
271.16949	3.9
274.83847	3.0
289.18079	100.0
290.18442	10.4
307.19144	54.7
308.19592	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88207	6.3
56.64225	5.1
57.03448	16.5
59.01374	12.0
69.08322	34.7
71.01370	9.8
71.88383	4.9
78.91027	5.3
83.05042	9.8
97.06576	35.0
109.06598	5.9
111.08174	19.4
139.35519	5.7
149.09676	7.4
151.11276	21.9
165.12878	41.5
167.10782	6.9
177.12833	8.1
179.10666	11.5
181.12358	57.2
191.10762	22.8
191.14391	10.3
209.11829	100.0
211.13347	16.3
212.85579	6.4
235.15759	5.4
245.19144	33.8
246.09897	5.7
261.18384	5.6
263.20068	14.0
279.19431	9.7
289.18149	37.2
290.61292	5.7
307.19141	80.5
308.19287	8.9
315.47964	5.9
317.79895	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30469	1.6
57.03424	2.1
59.01379	4.3
68.99825	7.4
69.65656	3.6
69.65986	1.6
71.05015	1.6
79.95758	1.9
81.88795	1.4
83.05022	1.8
94.43273	1.4
95.05030	1.5
96.96003	13.6
97.06643	1.9
98.21877	1.6
104.81186	1.6
109.02947	2.1
111.08166	6.1
118.22868	1.4
121.02969	1.7
121.06578	2.0
123.04537	2.0
125.09732	4.3
127.11313	1.8
129.85225	1.6
133.06651	1.7
137.09724	2.9
139.07661	13.5
151.07671	1.6
163.11299	5.1
185.11879	5.4
191.14441	7.7
197.11819	2.6
209.11783	3.5
215.14433	4.3
217.15997	2.3
219.17538	12.9
237.18565	9.5
245.15466	12.5
245.19008	9.5
247.16864	3.2
263.16541	4.0
263.20020	1.9
265.18082	17.4
266.18436	2.0
271.17059	19.2
279.19659	24.8
280.20001	2.8
289.18097	100.0
290.18427	7.1
307.15823	6.8
307.19101	40.5
307.22711	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.01054	1.0
57.03444	5.3
59.01371	4.9
62.81037	1.0
69.38341	5.5
69.54677	1.2
71.81699	1.1
87.56216	1.1
95.40109	1.0
127.11296	15.6
151.11243	1.2
167.10809	1.2
177.12857	2.5
179.03510	1.7
195.13901	3.4
209.11803	1.2
263.23691	2.4
275.20157	11.9
289.18127	1.3
289.21371	1.3
307.19464	4.6
307.22769	100.0
308.23145	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26555	10.2
65.72061	10.9
72.50733	10.9
89.54329	10.7
96.96014	100.0
100.62212	10.4
207.19235	10.8
262.14981	14.7
307.14835	95.5
307.18793	16.2
307.26349	31.4
307.64911	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.48516	0.8
70.95971	0.9
84.16641	0.9
109.15140	0.9
112.09959	0.8
239.52267	0.9
307.26407	100.0
308.26794	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45305	0.4
53.14074	0.4
54.34361	0.4
59.01376	2.1
61.98826	4.8
69.82829	0.5
69.83189	1.4
72.21491	0.4
122.93074	0.7
123.00513	3.6
124.98435	47.1
125.98557	3.2
136.96758	0.8
138.93672	0.5
164.96303	2.9
166.92033	6.3
166.96159	2.2
166.99480	100.0
167.99629	6.5
176.98099	2.6
178.97855	0.6
206.97510	0.5
208.97270	0.6
220.26697	0.4
306.56168	0.4
308.93997	0.5
308.97369	1.2
309.00656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.80468	0.5
55.01881	1.3
58.46056	0.7
59.01377	100.0
60.01699	0.9
61.98853	0.6
70.07320	0.7
70.07644	1.4
71.01381	40.7
72.99316	1.2
73.02942	0.9
83.01407	2.1
85.02943	8.5
87.00869	1.5
88.04051	0.8
89.02442	45.0
89.66050	0.6
91.84094	0.6
95.01403	2.7
97.02931	0.6
99.00914	0.9
101.02441	24.9
102.87223	0.5
109.46368	0.6
113.02447	17.5
119.02650	1.1
119.03500	20.8
128.03532	2.0
129.01947	1.6
129.03900	1.3
129.05573	1.8
130.05080	0.9
130.08745	4.9
131.03497	2.0
131.04597	0.9
142.63985	0.6
143.03500	1.8
147.06644	4.3
149.04549	1.2
158.85056	0.5
161.04559	1.8
178.02269	0.7
179.05566	3.9
309.11899	93.1
310.12256	5.2
315.80899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27952	0.9
54.63786	0.8
55.01881	1.0
55.54841	0.8
57.03440	1.5
58.00581	0.8
59.01377	100.0
63.52207	0.8
70.73965	0.7
71.01379	40.2
71.58738	0.8
73.83992	0.7
74.42001	0.8
83.01377	1.3
85.02946	7.7
87.00881	1.6
89.02441	46.1
95.01393	2.9
101.02443	27.1
113.02444	15.5
119.03505	21.6
131.03497	2.0
143.03471	2.9
147.06586	2.0
149.04567	1.1
161.04565	1.4
179.05563	2.0
249.10725	0.9
309.11908	88.5
310.12241	6.2
331.95477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.39653	0.9
55.01880	1.2
57.03439	0.8
58.00570	1.0
59.01378	93.1
63.65799	0.7
67.06807	0.8
69.99652	2.4
71.01380	41.1
72.99257	0.9
73.02922	0.8
75.21889	0.8
78.82993	0.8
83.01373	2.2
84.44171	0.8
85.02946	8.1
89.02443	44.0
94.07703	0.9
95.01386	2.7
101.02441	24.0
113.02447	15.0
119.03498	22.9
125.02439	1.0
131.03490	1.5
143.03506	2.6
147.06650	1.4
149.04579	1.3
161.04532	2.3
179.05620	3.1
184.88127	0.8
213.06111	0.9
309.11908	100.0
310.12338	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77526	0.7
59.01379	100.0
67.89297	0.6
92.05547	0.9
100.50758	0.7
161.13341	8.1
197.22673	0.6
205.12346	27.5
205.14220	1.5
206.12706	2.3
223.13501	1.4
249.11441	2.6
252.19681	0.8
288.95801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	1.0
83.05029	1.1
93.07109	0.8
114.05619	0.7
161.13342	6.4
191.07054	0.7
205.12314	36.2
206.12701	2.2
223.13414	1.5
249.11377	3.0
267.12503	0.7
268.37067	0.7
291.19693	2.3
309.17596	1.0
309.20685	4.5
310.20660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01701	1.0
61.64712	0.4
69.92805	0.8
71.01395	1.2
73.02950	0.6
80.96505	0.6
85.02986	0.5
98.95617	1.4
101.02451	1.4
106.40618	0.3
113.02495	0.7
130.65338	0.3
134.03716	0.5
161.04623	0.6
162.20035	0.3
175.24141	0.4
193.05130	0.9
209.11916	0.6
223.06757	0.3
249.13422	4.0
264.86212	0.4
309.08459	0.6
309.11517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03453	3.5
59.01352	1.7
69.68250	5.3
71.05021	16.5
75.61640	1.5
90.96365	1.4
93.07085	1.9
97.06588	6.4
119.08657	1.4
121.10246	9.9
125.09750	8.7
137.09709	19.6
141.12798	1.7
161.82758	1.4
171.10258	40.2
171.11642	2.8
185.11829	15.5
197.11787	3.9
219.13884	1.9
237.14771	1.6
247.20459	2.2
251.16499	45.8
252.16823	3.3
273.18439	1.9
291.19656	99.0
292.20099	9.5
306.44958	1.4
309.20697	100.0
310.21036	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41174	1.6
57.03468	3.7
59.01389	2.3
69.03445	9.1
69.78028	5.1
69.78365	1.9
71.05017	2.3
73.71879	1.7
79.46745	1.5
83.05001	4.1
85.02944	5.7
97.02950	72.6
97.06593	2.0
98.03277	1.7
99.62585	1.8
111.08147	1.8
119.08629	4.0
125.09705	4.3
137.09734	14.2
137.90074	1.6
153.00841	1.6
165.12833	2.7
171.08916	2.9
171.10268	26.2
179.10762	1.9
181.12306	2.0
183.13899	6.2
185.11821	1.9
193.12315	2.4
195.13857	8.4
211.13312	4.6
221.11826	5.8
221.15450	3.7
223.13338	2.3
223.17009	3.7
233.15430	4.6
239.12971	4.2
251.16470	11.8
273.18634	2.8
291.19662	40.7
292.20068	3.6
309.20706	100.0
310.21030	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21996	1.8
55.89311	1.9
57.03436	4.0
59.01378	5.5
66.55875	2.6
69.03446	5.5
70.42814	3.6
79.33673	2.0
83.05024	2.8
97.06610	3.3
104.70169	2.0
111.08179	14.1
119.08691	13.4
125.09721	9.5
129.97839	2.1
137.09726	35.4
137.10765	3.0
155.10812	2.4
167.01689	2.2
167.10782	5.0
171.10265	100.0
172.10649	4.8
183.10291	5.3
185.11835	26.1
197.11818	32.2
201.11263	4.9
209.15495	2.4
211.13399	7.4
213.11354	8.9
221.15341	3.2
223.17108	3.2
225.14983	6.5
237.14844	2.7
239.12878	2.2
244.26198	2.5
251.16594	7.2
273.18573	10.0
291.19666	53.1
292.19946	7.0
309.20703	71.1
310.21008	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71204	1.6
67.28931	1.9
69.06837	11.2
73.68213	1.7
111.08154	31.9
127.07656	2.1
138.17270	1.5
169.12321	7.3
197.11818	100.0
198.12148	5.8
199.13432	4.0
209.09206	1.6
209.15413	4.1
211.13429	9.7
223.17067	2.3
227.12868	3.3
251.16568	5.0
253.07848	1.7
263.20178	4.3
265.17975	2.9
273.18683	3.2
291.19684	20.2
309.20724	39.0
310.20920	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33276	1.2
57.03436	2.1
58.00592	2.0
58.77706	1.1
59.01373	1.6
63.62355	1.4
69.03445	2.0
70.49714	3.1
96.90192	1.1
109.06596	2.6
111.08157	32.1
127.07698	2.1
130.00414	1.3
151.11308	2.9
153.12842	1.3
160.27275	1.5
169.12323	10.2
172.09354	1.5
181.12418	2.9
183.13821	2.1
195.48970	1.7
197.11823	100.0
198.12163	3.6
199.13368	3.4
199.18240	1.3
211.13370	11.5
227.12869	2.6
263.20132	7.5
265.17889	2.1
273.18466	1.6
291.19632	17.8
309.20691	31.1
310.20865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03443	1.4
69.13261	1.2
69.83968	3.8
78.28504	1.1
108.87983	1.2
113.09743	2.3
115.07679	2.0
126.06863	2.1
127.07668	1.3
141.09183	2.5
165.12828	3.9
167.14375	2.3
178.49867	1.1
181.12279	3.5
193.12355	2.7
195.13922	1.7
211.13385	6.1
221.15350	2.0
240.13640	2.3
247.20662	6.2
273.18607	3.6
291.19650	46.0
292.19989	4.1
309.20688	100.0
310.21069	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37271	0.5
57.03438	1.0
59.01376	0.7
63.22231	0.7
65.65645	0.5
69.63405	2.4
70.61768	0.6
71.01363	0.6
83.05045	1.0
83.60656	0.6
97.06602	0.7
98.22556	1.1
109.06656	0.8
111.08145	2.8
116.22608	0.6
116.35670	0.5
125.09719	2.0
127.11292	1.4
139.07608	0.7
151.11282	1.4
153.09235	1.1
153.12869	3.5
155.10799	2.2
159.16963	0.6
165.12857	0.7
167.10770	1.9
169.12317	1.6
171.10240	0.7
179.10764	0.8
179.14417	1.9
181.12344	3.2
193.16002	1.1
197.11830	3.6
199.13368	1.1
200.10631	0.6
207.13953	2.3
227.12868	1.4
228.13722	1.0
241.14545	0.9
247.20674	4.6
265.21750	0.7
273.18573	2.0
281.21246	1.9
291.19662	33.4
292.19989	3.1
309.20706	100.0
310.21008	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.99266	0.8
59.01360	1.5
60.10758	0.8
68.91219	0.8
71.01384	1.0
76.96105	0.9
79.95736	6.0
80.96519	1.1
90.09785	0.8
93.53133	0.9
95.95223	1.3
96.96005	50.7
97.02923	1.6
98.21880	2.4
111.08144	3.7
122.97564	2.1
123.04620	0.8
125.09744	1.4
127.11249	2.4
143.07828	0.9
151.03957	1.7
151.07715	0.8
151.11243	2.0
152.08383	3.5
153.09052	0.9
153.12857	3.6
155.10791	1.2
165.12833	3.4
167.10770	1.6
169.12331	1.5
171.10277	1.3
179.14357	1.5
181.12357	4.1
183.13826	1.4
197.11841	6.3
199.13399	1.8
207.13882	1.6
209.15431	4.1
215.12907	1.0
227.12854	1.2
241.22012	0.9
247.20670	5.3
265.21625	1.5
273.18500	2.7
283.77859	0.9
291.19656	34.9
292.19937	3.5
309.17291	56.9
309.20670	100.0
310.17490	3.5
310.21030	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03431	3.6
59.01366	4.5
62.07627	1.3
67.91792	1.2
69.63847	1.3
71.05015	4.7
71.06264	1.5
83.60961	1.3
87.04486	1.6
93.24484	1.3
97.06606	2.2
103.57043	1.2
109.06640	1.5
127.07647	1.6
129.09169	2.6
137.09721	1.6
138.00034	1.3
143.06982	1.7
171.10262	2.7
195.13893	17.6
207.17549	2.7
211.13383	2.8
221.15413	3.9
223.16998	12.9
228.29245	1.4
233.15439	8.9
251.16498	53.5
252.16864	5.7
273.18640	2.6
291.19684	16.6
292.20123	2.0
309.20703	100.0
310.21075	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
69.87598	1.5
71.01389	0.6
76.76414	0.5
83.05038	0.8
86.17036	0.4
95.30060	0.5
97.06596	1.9
98.22656	0.6
101.66609	0.5
108.98090	0.5
111.08163	0.9
127.07684	0.5
139.11285	0.9
143.78435	0.5
179.14433	0.8
186.30466	0.6
209.11807	1.3
245.72389	0.5
247.20670	7.2
248.20753	0.5
263.20160	1.5
265.18890	1.0
265.21732	20.3
266.22031	1.5
273.18646	1.1
291.19650	23.6
292.19962	1.5
309.20703	100.0
310.21048	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74009	2.2
57.03413	3.0
67.44073	2.3
69.76851	5.1
71.05014	18.5
74.46410	2.3
97.06596	7.2
98.21936	2.9
121.10230	10.6
125.09745	11.5
137.09698	17.0
138.10048	2.4
141.12848	2.2
171.10268	46.7
185.11774	16.7
209.11870	2.9
211.13412	2.8
219.13766	4.0
232.39246	2.4
237.14940	3.4
247.20554	3.0
251.16530	40.4
252.16817	3.1
291.19650	100.0
292.20001	9.2
309.20697	99.7
310.21008	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00970	1.7
57.03437	4.1
58.00597	2.0
66.82048	1.7
67.44142	1.9
69.03442	2.7
69.12934	11.6
72.32651	2.1
83.05022	2.5
85.02954	2.6
97.02938	16.3
97.06598	2.2
111.08134	6.2
119.08679	2.3
120.56042	1.8
125.09724	2.0
137.09711	6.8
141.12772	2.1
151.04083	2.7
152.08394	9.1
153.12787	2.1
163.11240	7.0
165.12825	8.7
169.12352	2.3
171.10233	13.9
177.12891	2.5
179.14471	4.7
181.12282	5.5
185.11842	2.3
195.10138	2.2
195.13924	2.8
197.11827	16.7
204.51570	2.1
209.11710	2.4
209.15427	6.6
211.13339	4.2
223.13380	6.6
247.20619	10.4
273.18637	4.2
291.19647	100.0
292.20065	10.7
309.17133	8.4
309.20673	88.7
309.23367	1.8
309.26263	2.5
310.17795	2.3
310.20868	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28181	1.7
57.03457	3.1
59.01379	2.6
62.25710	1.5
62.73149	1.4
67.01882	2.0
69.03448	4.8
69.95432	3.9
81.76305	1.7
83.05006	2.4
95.05033	1.6
97.02947	33.6
97.06631	2.1
98.21895	1.9
98.58347	1.5
98.97103	2.0
118.57553	1.5
119.08710	2.9
125.09709	6.7
137.09732	6.2
163.11253	6.1
165.12849	12.4
171.10254	14.1
180.11966	1.5
181.12367	4.2
193.12332	2.8
193.15923	2.4
203.69852	1.6
209.11842	6.7
209.15511	1.8
211.13344	2.9
215.67142	1.5
227.12885	5.3
232.42107	2.0
232.65300	1.8
247.20625	7.9
273.18686	6.8
291.19650	100.0
292.20026	5.8
309.20715	55.2
309.24384	2.3
310.21051	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31374	1.0
53.02589	1.5
69.08784	2.7
69.09187	3.4
71.06773	1.2
80.02680	2.3
83.05031	6.3
83.43593	1.1
84.02181	1.6
99.08152	5.2
127.11264	1.2
137.09726	11.6
153.09236	1.8
155.10767	9.8
156.93175	1.1
157.94127	1.1
165.12859	2.0
167.10794	2.9
171.10251	10.8
193.12296	6.4
209.11841	21.8
211.13268	2.3
221.11937	1.3
247.20694	2.2
263.20163	2.0
265.21735	7.6
291.19626	19.9
309.20709	100.0
310.21008	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01319	1.5
57.03447	1.8
59.01366	2.4
65.54325	1.4
81.03475	2.3
83.01379	10.0
83.05000	3.9
88.91428	1.5
95.05048	3.4
97.06588	4.8
123.04520	4.1
123.08157	3.9
125.06145	2.0
125.09711	9.3
139.11266	12.0
163.11299	4.9
165.12842	13.2
167.10783	4.3
181.12302	4.4
191.10683	2.5
193.16000	4.7
209.11826	54.8
210.12172	2.9
222.81828	1.6
225.11235	1.8
247.20567	14.2
265.21671	3.4
273.18542	4.0
291.19659	100.0
292.19934	7.5
309.20731	36.0
310.20999	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56656	0.9
56.21879	1.0
57.03440	2.5
59.01367	3.2
59.75742	0.8
69.49475	4.1
71.04636	2.2
71.05014	22.8
95.05016	1.6
97.00029	1.0
97.06602	7.2
97.18519	1.1
121.10255	6.8
125.09711	6.5
133.06491	1.1
137.09720	20.4
138.10001	1.0
141.12833	1.8
160.34462	1.2
165.12862	1.1
171.10262	61.7
172.10666	2.3
175.14938	1.0
181.12349	1.6
185.11842	10.6
195.14009	1.3
207.13913	2.9
211.13322	3.7
219.13899	2.5
223.13432	2.4
233.15361	2.5
235.16997	3.5
237.14961	3.0
247.20718	1.9
251.16531	18.9
265.17902	1.1
273.18512	2.2
291.19656	65.3
292.19962	5.4
292.72900	1.0
309.20697	100.0
310.20953	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52821	2.3
57.03442	15.9
58.27121	2.3
59.01373	4.3
69.03453	3.3
71.01382	10.6
78.43388	2.4
80.02678	2.8
83.05006	6.9
95.05003	3.8
97.06592	5.7
97.95975	2.0
104.13345	2.1
109.06581	2.5
111.08148	4.4
113.09734	10.9
125.09744	3.1
127.11269	2.3
139.11305	3.4
140.35635	2.0
146.15602	2.0
151.11276	40.6
153.12811	2.3
163.11288	7.4
165.12837	38.7
166.13205	2.2
167.10757	4.2
171.10197	2.4
171.97148	2.1
179.10838	4.2
181.12346	52.5
182.12582	3.0
183.13820	3.5
191.10762	20.5
197.11729	2.2
206.71404	2.5
209.11823	100.0
210.12152	5.9
211.13377	10.0
247.20734	10.2
263.19998	4.6
265.21707	5.8
281.21259	7.3
291.19666	27.6
309.20670	26.1
310.21213	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2434
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.48621	1.1
53.28689	1.0
56.44189	1.1
57.03436	2.0
59.01361	3.3
62.35487	1.0
63.28696	1.1
70.97221	1.6
71.45300	1.0
74.99963	1.1
79.95729	7.2
81.37748	1.1
83.05014	1.6
92.70827	1.2
95.95232	2.0
96.96008	68.9
97.02968	1.5
116.89638	1.2
122.97546	1.8
123.08160	1.4
125.09663	1.7
127.11290	2.7
141.09239	1.7
151.03986	1.7
151.07715	1.2
152.08470	5.5
153.09201	1.3
171.10269	1.8
179.14375	1.7
195.13860	16.4
196.84958	1.1
197.11830	4.7
208.10971	1.3
209.15463	6.4
247.20575	2.4
273.71112	1.3
286.15381	1.3
291.19617	12.1
291.23257	17.3
292.20047	1.6
309.17282	84.0
309.20691	49.8
309.24304	100.0
310.17798	7.7
310.21030	3.9
310.24530	8.6
317.63181	1.2
319.10373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
55.76054	0.6
59.01381	5.8
59.21909	0.8
70.73639	1.1
71.01382	2.0
73.02940	1.6
75.00877	5.2
85.02953	1.6
87.00886	1.4
88.04051	6.0
89.02435	2.9
93.03469	1.0
96.95990	5.0
99.00894	0.9
101.02467	1.1
114.01951	0.8
117.03478	0.8
119.05023	56.6
120.05367	2.1
128.03508	0.7
129.01932	2.4
132.25195	0.7
134.03757	10.5
135.02992	4.0
135.04533	3.5
137.02457	1.3
140.22821	0.7
147.02994	4.2
147.04510	1.2
149.04549	7.6
161.02405	0.6
163.04004	100.0
164.04324	4.0
165.04031	7.8
176.07167	0.9
179.03459	2.4
191.09500	1.3
193.05052	10.4
223.06071	1.4
223.10921	3.3
239.07129	0.8
282.07703	1.2
293.10303	1.0
296.09293	1.2
297.10043	3.4
297.13431	1.3
311.07767	7.0
311.11383	2.2
311.14926	1.3
312.12491	1.4
312.15729	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92546	0.6
55.01880	3.0
57.03439	0.6
59.01381	5.2
71.01371	4.1
72.99295	1.7
73.02938	2.4
75.00871	41.3
85.02957	1.0
87.00874	1.4
89.02441	14.9
93.03471	0.7
96.96043	1.1
99.00842	1.0
101.02464	0.8
107.04992	0.7
109.04049	0.9
112.04110	0.9
117.01965	1.8
119.05030	20.7
120.94410	0.7
127.45974	0.5
129.01921	7.1
130.08754	3.0
131.03523	3.0
131.50102	0.6
134.03751	3.5
135.04526	13.4
136.04820	0.8
138.05598	0.7
145.01395	1.2
147.02962	2.3
149.04550	52.7
150.04778	0.7
157.13435	0.8
161.02449	2.3
163.03999	17.5
164.04422	0.9
165.00145	1.8
165.04036	100.0
166.00926	1.0
166.04373	2.3
179.03479	10.9
181.03270	1.4
181.06168	1.4
193.04987	2.8
199.91022	0.7
208.03662	0.7
223.06046	2.0
223.21005	0.7
225.02319	0.6
225.05539	0.7
235.04120	0.7
282.95615	0.7
297.10110	1.2
311.07721	3.8
311.11267	1.2
312.12122	0.9
312.15625	3.4
329.33783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18500	0.6
57.83265	0.5
58.93429	0.6
59.01380	100.0
60.01719	1.5
71.01377	3.1
73.02947	1.9
74.96291	0.6
75.00867	1.0
83.01392	0.6
85.02975	1.7
87.00929	0.5
89.02432	0.7
93.03439	0.5
96.96021	0.7
101.02464	2.3
111.68849	0.6
113.02439	1.0
117.03509	1.8
123.76275	0.6
133.02991	0.6
134.03746	19.9
135.03055	1.6
135.04054	0.7
149.02458	0.7
149.06110	2.0
161.04561	1.6
164.16174	0.5
193.05063	16.1
193.06711	1.0
208.03839	0.9
223.06187	2.4
250.14552	1.1
269.10406	1.9
271.47729	0.7
281.04593	0.9
296.06110	0.8
297.06662	0.8
311.08224	1.1
311.11679	1.4
311.15134	1.2
311.18536	0.9
312.14417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
59.01377	100.0
60.01728	0.8
69.51653	3.3
71.01375	6.1
73.02948	3.0
77.78315	0.7
83.01420	1.1
85.02950	4.0
91.41747	0.7
95.01433	0.8
101.02445	4.6
102.05635	0.9
113.02469	2.5
118.88239	0.7
157.50797	0.8
161.04515	4.2
184.70503	0.9
191.19655	0.7
193.04968	0.8
197.92015	0.8
217.58507	0.7
269.10306	5.0
271.14310	0.8
290.15659	0.9
312.14465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01727	1.6
61.01827	0.7
61.98827	4.0
71.01382	8.9
72.99313	0.7
73.02942	3.2
83.01399	1.4
85.02951	3.5
87.00887	1.0
88.77367	0.6
89.02469	4.2
93.03518	0.6
99.00916	1.5
101.02445	9.6
109.02980	0.7
113.02482	2.6
119.03546	0.9
124.98446	1.1
125.00983	1.5
125.98500	0.7
126.00463	0.7
126.98129	0.7
126.98923	4.7
134.04756	2.4
136.94016	0.8
141.99960	7.2
150.05630	0.7
151.05157	1.0
156.99969	1.1
159.03004	1.6
161.04582	7.0
166.99428	2.9
168.07841	3.0
168.91577	2.1
169.00133	4.8
169.99455	14.2
184.01038	2.4
185.53658	0.7
191.05649	0.9
214.14742	0.6
224.96628	0.7
251.11351	18.5
251.13855	0.9
252.03003	2.0
252.11583	0.8
310.96838	0.7
311.01025	1.0
311.09088	1.9
311.12744	1.5
312.00955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.89874	0.7
58.47022	0.5
59.01382	100.0
60.01710	1.4
61.01803	0.6
61.98831	4.2
62.91468	0.5
67.38876	0.6
69.24705	1.2
69.25108	2.5
71.01385	8.4
72.99331	0.7
73.02953	2.8
83.01410	1.4
85.02947	3.1
89.02450	3.6
99.00880	0.9
101.02441	9.4
113.02482	3.2
119.03504	1.3
119.71765	0.5
120.74123	0.6
124.98438	0.7
125.00964	0.9
126.98169	0.7
126.98930	5.5
132.95534	0.6
134.04771	1.4
141.99995	4.2
149.99663	0.6
159.03130	0.7
161.04564	7.6
166.99518	2.5
167.99817	0.7
168.07768	1.5
168.91559	1.5
169.00089	3.6
169.99464	8.3
173.24599	0.6
179.93445	0.6
184.01060	1.4
224.96712	1.1
251.11360	21.8
252.03061	1.3
252.11708	0.8
311.09052	1.2
311.12613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1865
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
52.59330	0.4
57.03437	0.4
59.01371	1.0
59.39599	0.3
69.42590	0.8
69.42980	1.0
73.56386	0.4
97.06580	1.1
97.43631	0.4
111.08166	0.7
113.09740	0.8
121.02957	1.1
122.03701	0.7
126.03249	0.4
127.11242	0.4
128.10794	0.4
136.05301	1.6
153.12875	0.7
154.47939	0.4
157.08691	3.7
167.14394	2.5
167.38773	0.4
174.24736	0.5
183.10240	0.7
187.97559	0.5
207.17545	0.6
211.13428	1.3
212.73032	0.4
223.20653	2.8
233.15550	0.5
249.18611	4.6
267.19644	100.0
268.19983	7.5
275.16522	7.4
276.16873	0.6
293.17615	36.4
293.21060	3.4
294.17920	3.2
311.18607	41.2
311.22202	21.1
312.18954	3.4
312.22607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
56.56367	0.2
57.06596	0.2
69.67857	0.2
69.68174	0.7
70.05576	0.2
82.53513	0.2
86.67860	0.2
118.43775	0.2
133.06589	1.8
149.09714	100.0
150.08917	0.4
150.10054	5.1
183.01187	4.5
184.01904	1.1
195.13838	0.7
216.00679	0.3
240.70851	0.2
293.21194	0.4
311.16711	10.6
311.20004	57.0
311.25833	1.6
312.13443	0.2
312.17038	0.8
312.20337	5.7
313.21393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.07468	0.7
56.79337	0.8
57.03441	1.7
57.23711	0.8
59.01382	5.6
69.34818	4.3
71.01381	1.7
71.05006	2.4
74.99294	0.8
83.05013	1.4
86.14676	1.0
111.08168	2.8
112.65366	1.0
113.09740	1.8
121.31478	0.8
130.76637	0.8
157.08699	41.4
158.09050	2.1
160.19566	0.8
161.71996	0.8
171.10289	3.4
175.69633	0.8
223.13251	1.5
235.17039	12.0
236.17487	1.1
253.18098	2.6
267.19699	2.2
275.20169	8.3
279.12341	2.1
293.21216	23.7
294.21469	2.2
311.22256	100.0
312.22580	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.83839	0.6
53.53712	0.6
54.84525	0.6
59.01362	1.5
61.06742	0.7
69.73102	2.2
86.24393	0.6
86.80788	0.6
91.25851	0.8
97.06585	10.8
150.45583	0.8
157.08617	0.7
167.14488	1.1
183.13887	10.5
195.13882	29.4
196.14246	1.5
211.13391	22.9
212.13705	1.8
213.14963	16.4
214.15352	1.2
263.20148	13.2
264.20514	1.3
267.19556	1.0
281.21194	2.2
291.20050	0.7
293.21173	4.6
311.22260	100.0
312.22592	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64492	0.7
56.99676	0.9
57.03441	1.6
58.00597	9.4
59.01390	1.5
67.49525	0.7
69.78024	1.8
73.02941	1.2
76.78529	0.7
82.58472	0.8
94.76794	0.8
97.02962	3.5
98.03303	1.6
99.08206	0.7
109.06595	2.1
119.08640	0.8
125.06053	0.9
127.07676	6.2
171.10274	1.5
172.10663	1.6
183.13895	22.1
184.14247	4.4
185.14508	1.9
195.13875	5.4
201.11353	3.2
211.13435	1.6
213.14987	8.5
223.13451	2.6
234.15822	0.9
235.16196	3.2
241.14478	5.6
253.17200	1.5
275.20065	1.8
293.21021	9.1
311.22229	100.0
312.22641	6.6
324.60147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
58.00330	0.6
58.00595	7.3
59.01370	0.9
61.53911	0.4
69.03450	0.5
69.45104	1.8
73.02935	1.5
79.44531	0.4
82.81672	0.4
84.02160	0.5
87.04519	1.0
109.06609	1.5
125.09723	2.2
127.06763	0.7
127.07639	4.7
127.11275	2.5
129.52196	0.4
137.09750	0.9
155.10764	1.2
160.16368	0.4
165.09213	1.0
171.10272	3.6
179.98158	0.5
183.10280	0.5
183.13890	18.2
184.14212	0.6
193.93063	0.4
195.13913	1.8
199.09830	0.7
201.11322	24.9
202.11685	1.1
211.13437	0.6
213.15034	4.7
214.15289	0.7
223.13419	1.5
223.16978	2.0
241.14488	4.1
275.20172	3.2
291.19577	0.4
293.21225	7.4
311.22269	100.0
312.22571	8.1
322.51462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
57.03433	1.2
59.01349	0.9
61.98798	0.6
69.03438	0.8
69.37988	0.8
69.38381	1.6
71.04990	1.9
80.02676	0.5
83.05008	1.4
84.02158	0.5
91.01128	0.5
97.06575	0.5
98.22617	1.1
111.08138	2.0
123.08118	1.3
125.09674	0.7
135.11755	0.6
139.11276	2.4
141.12799	0.9
149.09697	2.6
151.11282	4.8
153.09245	0.5
153.12830	2.1
157.08653	4.0
165.12895	0.8
168.11531	0.7
169.12309	1.4
171.10202	1.3
173.77112	0.6
177.12834	1.1
179.14381	1.0
181.12350	0.9
182.13176	1.1
185.11800	1.2
195.10223	2.3
202.01346	0.7
213.11269	1.2
223.13420	2.5
247.20891	0.8
249.22241	3.4
275.20181	1.4
293.21216	100.0
294.21558	7.9
311.22266	95.4
312.22552	8.6
312.25830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33956	0.8
58.00591	7.9
59.01374	1.1
65.95152	0.8
70.18163	1.9
73.02962	1.2
78.66753	0.8
89.04565	0.8
95.50872	0.7
97.06596	0.9
98.22565	1.5
109.06574	1.9
121.10294	1.1
125.09733	3.9
127.07613	3.9
127.11274	5.7
155.10764	2.2
163.42009	0.9
165.09238	1.9
171.10249	7.4
172.17877	1.0
183.13908	15.4
195.14029	0.9
199.09703	2.7
201.11314	43.4
202.11681	2.2
213.14992	4.4
223.13268	1.2
241.14400	4.4
275.20139	4.1
293.21246	7.7
311.22260	100.0
312.22672	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03443	2.5
59.01374	1.7
61.61903	0.8
67.52806	0.9
69.67873	2.9
82.78497	0.8
97.02945	1.9
99.08165	3.1
113.09734	2.9
113.38892	0.8
121.10236	2.2
125.09785	1.1
129.09253	1.4
130.88440	0.9
139.11279	7.2
151.11203	0.9
161.54723	0.8
165.12831	1.4
167.10660	0.9
171.10263	15.3
172.10580	1.1
175.11206	0.9
181.12361	1.5
183.13895	1.7
185.11810	1.7
193.12352	8.2
197.11812	3.5
211.13405	11.7
217.85587	0.7
275.20163	1.1
293.21249	17.9
294.21408	1.7
311.22272	100.0
312.22659	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.32732	0.5
51.32996	0.5
54.86520	0.5
57.03430	1.5
59.01372	1.8
69.03437	0.7
71.05009	0.7
79.05489	0.6
97.02927	1.3
97.06566	0.5
99.08160	0.9
111.08154	0.6
113.09727	3.9
121.10231	1.5
125.09718	1.7
127.11278	2.3
129.09236	1.2
135.62523	0.7
137.09723	0.7
139.11292	13.0
139.12296	1.0
141.12827	0.6
147.40236	0.6
151.11293	0.5
153.09152	0.7
155.10799	1.0
163.11302	1.7
165.19574	0.6
167.10826	1.2
167.14438	0.6
169.12343	1.0
171.10265	29.5
172.10608	1.2
176.53529	0.6
181.12361	1.2
183.10254	1.1
183.13976	1.1
185.11829	2.8
193.12318	0.6
197.11794	3.8
197.38007	0.6
199.13350	1.2
201.11366	2.7
211.13361	5.1
226.71954	0.5
249.22253	2.1
275.20157	1.9
293.21216	44.8
294.21570	4.3
311.22260	100.0
312.22571	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01373	2.2
70.48869	1.3
72.99532	0.7
78.06158	0.8
83.05016	1.5
97.02969	0.9
97.06592	1.1
99.08158	2.9
104.88292	0.7
111.08170	1.1
113.09711	4.6
119.10605	0.7
121.10194	2.0
129.09232	5.7
134.36130	0.6
139.11288	3.1
151.11261	1.5
153.09314	0.9
153.12885	0.8
163.11284	0.9
167.10905	0.9
167.14330	1.0
169.12344	3.6
171.10255	9.8
175.11247	0.8
175.83734	0.7
176.19418	0.8
181.12352	4.6
183.13965	4.0
185.11819	1.1
193.12352	4.8
197.11836	10.5
199.13365	5.1
209.11710	0.9
211.13396	21.6
212.13803	0.8
249.22386	1.1
265.21753	1.0
271.39288	0.7
275.20132	1.4
293.21216	20.9
294.21542	1.9
311.22263	100.0
312.22675	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27860	1.0
69.33747	3.7
74.01984	1.2
94.67363	1.2
99.08184	1.2
113.09708	1.4
125.09713	1.7
127.11250	3.6
129.09203	4.0
135.91977	1.3
136.05534	1.3
139.11276	7.5
145.29170	1.2
169.12305	2.7
171.10278	25.4
181.12349	2.5
183.10236	3.3
183.13866	1.4
185.11803	4.6
197.11842	5.6
199.13429	3.0
201.11343	6.3
211.13388	11.5
219.03473	1.1
275.20120	3.5
293.21268	13.2
311.22266	100.0
312.22647	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
83.23304	0.7
97.06575	0.8
112.36994	0.7
113.09747	1.3
114.77968	0.9
115.07640	1.0
167.14388	3.5
183.13899	2.4
195.13899	9.5
196.14250	0.9
211.13446	1.1
213.15077	1.3
242.15228	0.9
281.72681	0.8
293.21188	6.8
311.22272	100.0
312.22620	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54191	0.6
51.95887	0.6
55.00285	0.7
56.22104	0.6
68.68938	0.8
70.41305	1.3
79.80056	0.7
113.09740	1.3
115.07655	1.4
128.08411	1.0
131.68620	0.6
167.10825	0.7
167.14346	3.9
169.88223	0.8
171.10236	0.8
183.13895	2.3
188.08641	0.7
195.13901	10.7
196.14343	0.8
211.13446	1.7
213.15021	1.3
222.37746	0.6
228.75334	0.6
262.83237	0.7
267.23257	0.8
293.21252	7.8
294.21515	1.3
311.22269	100.0
312.22598	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03446	3.1
59.01373	1.7
61.98820	1.9
69.32011	1.4
69.42625	5.6
79.95753	1.6
80.31465	1.1
98.07685	1.3
109.98373	1.2
113.09729	4.5
139.11276	2.5
153.12852	7.7
155.14323	1.3
167.14438	2.8
181.12360	5.0
183.01202	25.4
183.13895	100.0
184.14235	5.0
192.30934	1.1
195.13799	1.3
197.02785	5.6
197.11798	2.1
211.13388	59.2
212.13696	3.1
213.15005	3.6
215.12793	2.5
249.22252	2.0
265.21747	2.3
267.23276	5.1
275.20154	1.4
293.21271	8.0
311.16837	59.3
311.22260	49.8
312.17188	3.5
312.22635	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17722	0.6
69.09082	4.3
76.45499	0.6
85.28656	0.6
88.08229	0.6
91.61960	0.6
97.06590	0.7
98.21880	1.5
101.57943	0.6
111.08169	1.0
112.76568	0.7
113.09747	0.7
127.11288	1.8
129.09215	1.3
131.53050	0.7
132.59769	0.6
249.22218	9.9
250.22644	0.7
265.21716	1.7
267.23285	9.7
293.21240	32.2
294.21558	3.1
311.22278	100.0
312.22650	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.90457	1.2
57.03441	5.8
59.01371	5.1
69.85779	1.5
69.86105	3.1
71.86369	1.4
78.44153	1.4
83.04970	1.5
98.22567	2.0
99.08141	4.2
113.09721	14.7
125.09692	1.6
127.11277	1.4
129.09207	11.0
139.11267	4.5
163.21445	1.4
167.14516	1.4
169.12354	3.7
171.10269	17.6
178.10773	1.5
181.12360	6.8
183.13882	3.3
183.83604	1.7
185.11684	2.5
193.12341	3.0
197.11824	26.4
198.12233	2.0
199.13423	4.6
201.11351	3.3
211.13377	22.7
213.14972	7.9
256.45786	1.4
275.20178	2.4
293.21204	62.4
294.21567	5.1
311.22256	100.0
312.22626	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
69.76131	2.2
97.06569	1.1
106.99110	0.6
125.09761	3.3
139.11301	1.8
141.09256	1.3
141.12868	0.8
142.06987	0.7
153.09169	0.9
155.14426	1.6
157.12292	1.3
161.80963	0.7
171.10277	2.3
200.10576	2.5
249.22252	2.2
265.21664	1.1
267.23157	0.8
275.20193	1.0
293.21225	8.1
311.22275	100.0
312.22623	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98818	1.5
71.01361	0.5
95.39347	0.6
99.98915	1.8
117.00469	4.5
125.98495	0.8
126.00467	6.1
126.98169	2.0
126.99998	1.7
128.97916	0.8
129.00436	1.5
135.60555	0.6
141.99973	64.5
143.00067	3.4
166.99504	0.8
167.99591	3.2
168.91766	0.7
168.99310	3.7
169.89531	1.1
169.99460	100.0
170.97820	10.2
170.99126	10.5
171.01503	4.1
184.01016	23.3
185.01152	1.9
209.09666	0.6
217.00467	0.7
233.24442	0.7
259.01581	1.4
293.24219	0.6
312.00595	3.0
312.99185	1.9
313.02698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06428	36.6
69.87411	100.0
72.21928	42.8
92.09111	33.2
98.21940	44.2
120.42874	32.9
130.08789	49.9
153.29979	34.5
165.04027	44.8
166.01001	57.4
312.15826	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1242
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
52.59573	0.6
52.81714	0.5
55.91914	0.6
59.01374	1.8
69.31902	2.0
69.32294	1.4
83.18922	0.7
98.22617	1.2
102.31277	0.6
104.73310	0.6
107.05032	0.8
108.02187	1.0
109.02985	0.7
114.65216	0.6
119.05016	1.0
124.01679	0.7
133.03029	0.7
133.05341	2.3
134.03767	4.8
135.04530	21.5
136.03973	0.9
136.07710	0.9
147.04503	5.8
148.05304	84.0
149.05627	4.3
150.03175	0.8
161.02446	1.3
162.03227	1.0
164.09940	0.6
171.10173	0.6
175.04018	0.8
176.03532	6.2
177.04324	1.8
178.05090	42.6
179.05455	2.1
190.05099	21.8
191.05672	2.1
218.11903	0.9
236.12990	1.7
253.08780	1.8
280.11929	1.7
296.09326	0.7
297.10074	13.9
298.10284	1.9
312.12390	100.0
313.12781	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1243
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
53.33995	0.6
55.34545	0.7
58.55774	0.6
59.01382	1.4
61.98821	0.7
70.96895	0.8
71.01364	3.0
73.02938	1.0
85.02944	1.7
88.04044	17.4
89.02457	1.1
101.02448	1.2
107.05033	10.2
108.02120	0.8
109.02962	2.8
109.04089	0.7
113.02487	1.0
121.02966	0.8
122.03681	0.6
127.05102	1.4
134.03767	1.0
135.04517	1.7
136.04025	1.7
146.02582	0.7
146.03705	2.8
147.03314	1.4
147.04514	4.2
148.04073	4.2
149.04793	2.8
150.05693	3.4
151.03989	1.5
152.49452	0.6
155.08269	1.2
157.13452	0.8
159.04466	2.0
160.04025	3.5
161.04558	1.7
162.05664	0.8
167.11877	0.9
174.05635	1.0
176.07143	1.9
180.10329	2.5
191.09554	1.9
197.06094	0.9
206.11852	1.8
209.99814	0.6
211.07751	1.3
211.09671	0.9
212.07179	1.2
220.07771	1.0
223.10864	7.6
225.02371	0.7
225.05554	1.7
226.08705	3.4
236.07095	2.8
238.08655	2.2
239.07146	2.1
240.06630	3.5
240.10313	1.1
250.05089	0.7
253.07420	1.9
254.08188	10.4
255.08575	0.7
263.05927	1.9
264.06610	3.7
265.07175	2.9
267.05569	2.0
268.06210	2.2
268.09772	3.3
268.16641	0.6
269.10602	1.7
280.09717	1.9
281.06860	3.1
282.07703	33.5
283.08191	3.3
296.09216	6.0
297.10056	100.0
298.10391	7.2
312.12384	46.7
312.15781	14.9
313.12726	4.0
313.15942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1609
Annotation	Laurifine
Peak:m/z	Relative Intensity
59.01373	3.5
62.46127	1.5
65.07570	1.3
66.91699	1.3
71.01377	4.3
78.95905	1.6
84.00120	1.2
85.02972	3.1
87.00900	1.6
88.04052	20.9
89.02470	1.5
93.03459	6.2
101.02480	1.5
106.04271	9.4
106.06653	7.1
107.05072	2.6
108.02167	3.4
109.02945	3.6
117.03454	3.5
119.05044	4.2
120.05372	1.5
121.02937	5.7
122.03727	2.5
127.05098	1.8
134.03757	1.8
137.02409	2.5
146.03720	3.6
147.03366	2.3
147.04526	61.6
148.03966	1.8
148.04993	2.0
150.05618	2.9
153.05582	2.8
158.06039	1.6
159.04582	3.3
160.04054	4.2
161.02452	4.7
161.04796	6.2
161.06056	2.0
162.05560	2.6
169.06587	4.5
176.07178	48.8
179.03508	10.4
180.10371	2.5
183.08078	3.3
191.09520	45.8
192.09807	3.3
194.05440	2.3
196.05318	2.0
197.04497	4.9
197.06073	23.1
206.11862	40.2
207.12198	1.8
210.06902	1.5
211.07640	25.0
219.96652	1.3
221.06097	3.3
222.07649	2.0
223.07622	2.2
223.10860	5.5
225.02263	2.1
225.05592	47.3
226.05981	3.1
226.08582	1.7
238.06311	5.3
238.08614	1.7
239.07140	38.0
240.07942	10.4
254.08295	4.0
264.06662	2.9
268.06180	2.2
268.13647	3.5
269.10562	2.3
269.14127	2.8
280.09631	2.0
281.07047	2.1
282.07690	22.6
296.09314	3.7
297.10037	60.5
297.13693	59.8
297.17114	2.8
298.10297	5.8
298.14005	4.8
312.12378	33.8
312.15994	100.0
313.12677	4.9
313.16354	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71148	0.7
55.01879	0.9
57.03436	1.8
57.43794	0.7
58.59035	0.7
59.01390	4.9
59.18336	0.8
70.02091	2.3
71.01379	25.8
78.01093	1.6
85.02952	12.4
86.41149	0.8
88.04052	6.5
89.00327	3.3
89.04369	1.3
91.01905	1.1
98.22523	1.2
101.02467	0.9
106.00591	3.8
108.02190	1.7
109.02959	1.7
112.04132	0.8
112.72444	0.8
115.00375	10.1
119.05016	1.6
121.02954	51.4
122.03278	1.4
123.00881	2.7
129.01958	1.4
131.96016	0.8
137.02463	0.8
138.03207	4.3
138.63374	0.9
139.00375	1.1
139.07610	0.9
147.02953	1.2
147.04518	1.0
153.05573	35.8
154.05894	1.3
157.83635	0.7
163.03958	1.4
164.04329	1.2
165.04576	1.4
166.99857	2.3
180.10220	1.1
181.44775	0.9
182.02196	5.4
182.18623	0.8
191.01987	1.7
196.78136	0.8
197.04552	100.0
198.04889	3.8
223.10826	1.4
224.11186	1.6
225.07373	0.9
253.09271	1.2
275.75552	0.9
313.12793	2.7
313.16101	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43319	0.6
55.01876	3.0
57.03444	13.0
59.01377	18.0
59.93845	0.5
68.99834	0.6
69.22195	1.2
69.22598	2.0
71.01388	8.4
72.99317	4.6
73.02954	1.3
75.00862	2.7
77.78025	0.6
83.01410	1.6
84.02146	1.4
85.02950	100.0
86.03284	1.6
87.00882	2.5
89.02440	7.0
98.21824	0.9
101.02451	5.9
103.00386	2.1
103.50352	0.5
107.05045	2.0
108.02183	0.6
109.02911	1.0
109.08884	0.6
111.00861	1.3
113.02435	2.2
115.00380	1.0
119.03500	1.5
121.02970	5.4
121.03789	1.0
129.01942	9.5
133.05063	1.4
147.02995	13.0
147.06715	0.9
151.04044	1.7
151.06114	0.7
156.89465	0.8
161.04543	1.8
163.02505	0.7
172.99390	2.7
173.00835	1.3
179.05627	1.6
191.01973	19.4
215.00502	1.6
253.09277	14.7
295.04752	0.8
313.05585	2.8
313.11398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.73492	0.2
60.74453	0.2
61.11407	0.2
63.18043	0.3
69.75336	0.4
69.75681	0.7
77.03973	0.3
108.02153	0.3
121.02954	100.0
122.03281	2.6
125.09725	0.5
180.05832	0.8
181.06595	4.9
187.09810	0.4
225.05577	6.1
226.05923	0.4
253.28258	0.3
269.08252	0.5
294.21497	0.6
312.22610	1.8
313.07169	18.8
313.20056	0.8
313.23474	1.7
314.07465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
57.03424	6.5
57.57793	3.4
59.01378	32.7
71.01380	66.4
71.07594	3.4
72.56861	3.3
73.02958	18.8
75.62633	2.8
83.01365	4.1
85.02957	58.5
89.02429	4.2
95.01360	5.7
95.29819	3.6
99.00871	7.3
101.02433	29.5
101.27699	3.3
106.04204	10.2
107.05025	100.0
108.02173	8.3
109.02972	4.0
111.00832	4.4
113.02413	24.8
115.00352	4.4
121.02961	18.9
123.04521	3.8
132.52798	3.4
134.08821	3.4
147.02965	5.0
151.04005	76.3
153.05544	18.6
161.04553	15.3
191.02010	5.5
194.55162	4.0
197.04552	34.8
210.40254	3.4
245.43010	3.4
247.79822	3.5
253.09293	9.8
292.79150	3.3
330.05444	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.04755	0.6
59.01380	100.0
63.26110	0.7
69.65711	1.9
91.02221	1.0
96.13780	0.8
108.02158	1.0
137.93062	0.7
225.22311	1.3
253.21674	6.2
271.22791	43.5
272.23090	3.0
313.17841	2.1
313.23843	25.5
314.24161	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2381
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.13605	0.3
57.41789	0.3
59.01372	0.6
69.34701	1.6
71.05005	1.9
83.05022	1.0
98.21831	0.7
103.56249	0.3
111.08172	0.5
113.09720	1.3
125.09724	1.7
127.11294	3.3
139.11253	0.6
141.11873	0.3
141.12822	1.7
149.09650	0.4
155.10800	1.9
155.14417	1.1
157.12398	0.9
165.12926	0.4
167.10799	1.1
171.10280	3.0
172.10541	0.4
183.13960	0.6
185.11826	1.3
200.13788	0.3
201.11337	2.5
201.13974	0.4
219.92889	0.3
251.23712	1.3
277.21677	1.2
293.21231	1.9
295.22787	4.2
311.22269	0.7
313.23828	100.0
314.24210	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.64888	0.8
59.01374	3.4
60.67114	0.8
69.22461	4.0
71.64513	0.7
90.69999	0.7
95.05025	1.2
97.06584	6.3
99.08160	3.0
113.09785	1.4
115.07653	3.8
125.06097	3.4
127.07587	0.9
137.06056	2.2
143.07143	25.0
144.07570	1.0
155.07104	1.2
167.14420	1.3
169.15990	5.0
173.08231	2.8
213.14929	5.1
215.12917	3.0
251.23856	0.8
261.67297	0.8
277.21716	7.5
279.25119	0.8
295.19449	0.8
295.22751	14.0
296.23297	1.4
313.23822	100.0
314.24237	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2381
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.09638	0.3
69.31866	1.7
71.05023	1.3
83.05038	1.1
84.02195	0.5
92.37505	0.3
97.06622	0.4
113.09743	1.5
125.09711	0.8
127.11296	2.9
139.11241	0.7
141.12843	1.4
155.14371	0.7
171.10248	2.7
206.56052	0.4
226.31511	0.4
251.23802	1.2
293.21326	2.0
295.22690	2.7
296.22769	0.3
311.22229	0.7
313.23825	100.0
314.24194	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.64201	0.7
57.03455	3.5
59.01373	0.6
70.07426	0.7
70.07733	0.9
71.05018	6.6
72.99280	0.7
73.06560	0.8
73.37227	0.5
81.03454	0.9
83.05028	8.0
84.02134	0.9
85.02948	7.8
85.06628	0.6
91.02178	0.6
93.03456	2.6
95.05048	4.0
99.04512	1.6
101.06077	22.4
102.06400	1.0
107.05028	1.1
108.02170	0.8
113.06094	2.9
150.31924	0.6
159.12157	0.7
185.00778	1.9
209.19095	2.1
223.13080	0.6
227.58041	0.6
231.09982	0.7
245.19116	0.8
249.22249	0.7
265.21570	1.2
267.23294	6.6
268.23587	0.7
311.21921	0.6
313.03308	0.7
313.18204	21.5
313.23813	100.0
314.18155	2.5
314.24167	11.1
322.32181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60880	2.6
59.01379	55.8
61.98830	3.9
68.07693	2.8
69.87331	8.6
71.01378	32.6
72.00900	3.9
72.99304	5.7
73.02940	4.8
73.66511	2.9
79.40979	2.6
85.02955	11.5
86.03307	4.3
99.70497	2.9
101.02458	12.3
108.02168	100.0
109.02964	33.6
110.02536	3.0
113.02449	7.2
114.05595	3.0
115.02540	3.0
117.00471	7.8
118.00491	3.1
123.04519	4.4
128.07175	7.9
130.08745	10.0
131.08249	5.0
141.99997	7.8
143.01932	3.3
143.99709	4.1
151.03972	4.3
152.01100	4.9
152.03537	13.1
153.01938	18.6
157.03592	4.2
159.01506	35.6
160.01654	5.4
161.04561	23.6
169.99535	5.1
170.97859	5.7
171.01512	11.4
171.99301	7.0
172.01591	6.3
172.99356	7.5
173.03026	7.8
173.04530	3.2
174.99245	4.6
183.01523	8.1
186.54953	2.9
196.05742	3.4
201.02405	3.3
209.61150	3.3
210.02879	8.3
213.02571	3.3
217.00276	11.2
223.03893	3.2
238.06821	11.4
254.01897	8.4
254.08960	17.5
255.09299	11.1
271.08218	14.2
271.99463	2.9
272.02917	9.0
273.03156	3.7
314.02805	8.1
314.10828	3.7
315.04095	7.2
315.07339	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	cis-6,6a-Dihydroxymaackiain
Peak:m/z	Relative Intensity
50.49570	0.4
55.45419	0.3
56.59072	0.4
59.01369	0.6
67.01890	0.5
67.24295	0.4
81.77173	0.4
132.65407	0.4
181.06494	0.6
182.90381	0.4
183.04385	0.5
191.48543	0.4
197.06047	0.8
209.06044	0.7
211.03999	1.1
223.03981	0.7
225.05518	3.3
226.02632	0.5
227.03481	1.2
229.01454	0.7
241.05040	1.4
251.03441	1.0
253.05077	8.3
254.05420	0.6
268.03687	0.7
269.04553	11.2
270.04813	0.9
271.02524	2.2
296.03091	0.5
297.04022	100.0
298.04352	7.7
300.02744	0.9
314.24188	1.0
315.05090	42.7
316.05386	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.02462	0.4
59.01376	2.6
65.03960	6.4
67.01889	3.4
67.29007	0.3
70.93936	0.5
71.01369	2.0
73.02940	0.8
83.01361	0.5
85.02968	0.8
88.64370	0.4
91.01892	0.6
99.00869	0.6
101.02430	0.9
107.82726	0.4
108.02151	2.4
109.02952	100.0
110.03316	2.3
111.38929	0.4
113.02438	0.8
114.72277	0.5
118.50215	0.4
135.00871	4.7
151.04031	0.3
152.01108	0.6
153.01939	70.0
154.02290	2.1
161.04579	1.5
217.00269	1.5
226.54936	0.4
232.97652	0.6
238.12981	0.4
283.04449	2.2
306.42340	0.4
315.07202	27.7
316.07590	1.4
339.41321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01377	10.1
61.98824	2.6
70.78551	1.0
71.01376	3.1
73.02921	1.5
75.44246	0.8
85.02956	1.3
101.02451	1.0
108.02172	100.0
109.02962	65.3
109.03547	0.8
110.03316	1.6
113.02424	1.3
117.00443	0.8
117.05575	1.8
121.02921	1.0
123.04523	2.2
127.05219	1.0
133.02951	1.4
135.04506	2.3
151.04010	1.7
152.01152	76.5
153.01941	75.8
154.02280	1.8
159.01500	2.3
163.03978	1.3
165.01889	1.7
166.74260	0.7
172.99399	0.9
174.99277	2.2
200.02020	3.9
201.02161	0.8
217.00287	9.7
238.06828	2.6
238.23753	1.0
247.65204	0.8
255.02696	2.6
255.09428	2.2
315.07224	96.1
315.16763	1.8
316.07428	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Taxicatin
Peak:m/z	Relative Intensity
54.36006	0.6
55.35855	0.8
59.01380	4.8
64.29462	0.7
65.03964	4.7
67.01871	2.3
69.81668	2.4
71.01379	1.9
73.02929	1.3
75.60135	0.6
77.51173	0.6
79.45356	0.7
85.02951	1.5
88.98789	1.2
94.08409	0.7
98.21951	1.0
101.02440	0.8
108.02174	2.9
109.02956	80.5
110.03287	2.0
111.69086	0.7
113.34811	0.8
120.99654	1.1
123.04530	61.5
124.04860	2.6
135.00894	3.4
141.45699	0.8
142.97401	0.8
152.01158	1.8
153.01955	56.8
153.05577	100.0
153.57503	0.8
154.02296	2.0
154.05936	3.8
170.35257	0.7
174.99191	0.8
183.78781	0.7
201.89134	0.8
217.00249	4.1
219.45033	0.8
225.06438	1.2
232.97519	1.1
283.04605	2.6
298.14105	0.9
315.03497	0.7
315.07214	18.9
315.10779	2.7
316.07452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1447
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
57.03381	1.3
59.01302	4.6
69.03379	3.4
69.03739	1.1
69.31102	1.7
69.31493	1.4
71.01328	1.6
71.04944	3.0
71.05295	0.8
71.10725	0.7
73.02881	0.7
77.66406	0.6
83.01323	0.7
83.04981	1.1
85.02858	0.9
87.00875	51.1
87.01369	2.7
88.01168	0.8
91.03970	1.2
96.96012	10.1
97.06561	1.1
99.08076	0.7
103.00285	2.3
111.00802	2.9
111.01474	0.6
111.08073	0.7
125.09663	2.5
129.01868	2.0
151.11229	2.2
153.12825	3.3
161.09694	3.0
179.10785	11.2
180.11116	0.7
185.11847	1.2
191.14449	0.9
197.11818	100.0
198.12198	3.9
213.05574	1.0
223.09828	2.3
225.11493	1.2
225.14972	1.5
227.12877	1.3
235.13358	10.0
241.05127	2.3
241.10791	14.4
242.11208	0.8
269.38535	0.7
279.12433	2.3
279.15262	0.6
297.13409	4.8
315.08698	1.6
315.14624	49.5
315.17682	2.1
316.15146	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1812
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
52.01266	0.4
54.06062	0.4
56.49492	0.5
57.03443	1.7
59.01379	100.0
60.01728	1.1
69.03453	0.7
71.01386	3.0
71.05033	2.4
73.02950	1.4
81.03465	0.7
83.05025	5.2
85.02949	3.1
87.00890	1.0
95.05035	1.4
97.02981	0.5
97.06594	6.2
101.06078	7.6
105.87899	0.5
109.06588	7.7
111.04531	1.7
111.08144	0.5
113.06099	1.2
119.04999	0.6
121.06631	0.8
124.56651	0.5
125.06134	0.5
125.09743	1.0
127.07641	0.7
128.31659	0.6
130.09850	0.5
135.08075	0.6
137.09717	3.9
139.07634	4.0
155.10797	2.1
163.11261	1.9
165.09314	1.0
169.12357	1.4
181.12352	0.7
188.20882	0.5
197.11940	1.1
209.11804	0.8
213.11385	0.5
218.16953	0.5
223.03568	0.5
223.09583	0.5
227.62514	0.5
297.16986	5.4
315.14783	3.6
315.18097	75.2
316.18466	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98831	0.9
71.01385	0.8
72.99286	0.7
87.04510	1.6
96.95995	1.2
97.02946	0.8
97.06591	1.8
99.08173	0.8
108.16250	0.7
123.08157	2.1
125.06126	0.8
125.09756	1.3
143.07166	6.1
146.96547	0.8
171.10284	13.8
195.13876	5.0
213.14992	1.6
225.15001	1.0
235.17033	4.8
244.33977	0.7
251.16539	4.3
251.39307	0.7
253.18117	8.1
269.17587	13.2
283.13824	3.1
297.17068	2.2
315.18124	100.0
316.18414	7.7
319.81290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1813
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
59.01373	2.9
61.98831	0.9
71.01385	0.8
72.99286	0.7
87.04510	1.6
96.95995	1.2
97.02946	0.8
97.06591	1.8
99.08173	0.8
108.16250	0.7
123.08157	2.1
125.06126	0.8
125.09756	1.3
143.07166	6.1
146.96547	0.8
171.10284	13.8
195.13876	5.0
213.14992	1.6
225.15001	1.0
235.17033	4.8
244.33977	0.7
251.16539	4.3
251.39307	0.7
253.18117	8.1
269.17587	13.2
283.13824	3.1
297.17068	2.2
315.18124	100.0
316.18414	7.7
319.81290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.2
57.03441	5.9
59.01379	62.5
63.51414	1.3
71.01382	100.0
71.41919	1.6
72.01698	1.1
72.99324	1.4
73.02948	31.5
75.00873	2.2
83.01383	11.7
85.02952	42.5
87.00852	2.6
89.02441	23.7
95.01389	7.6
95.19723	1.2
96.96029	2.8
97.02938	2.3
99.00877	11.8
101.02445	53.1
102.02752	1.1
109.02968	2.9
113.02451	38.6
114.02812	2.3
119.03525	7.5
126.12721	1.2
131.03523	1.3
143.03510	2.4
159.03032	8.2
161.04556	24.7
170.97211	1.1
222.61679	1.2
315.12659	3.8
315.18234	2.2
315.22174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16280	1.1
55.48941	1.2
58.77717	1.1
59.01365	4.7
62.30502	1.1
66.31992	1.2
79.95734	1.4
83.37871	1.4
85.02936	1.2
85.06587	4.7
94.94011	1.2
95.95231	3.3
96.96004	7.2
124.62352	1.4
125.09705	3.1
134.03709	1.3
155.14478	1.8
167.14383	1.5
171.10271	4.8
173.20338	1.2
183.13905	4.7
192.25955	1.3
193.12347	2.6
198.49557	1.3
209.11906	2.4
211.13408	32.2
212.13683	1.6
229.14447	17.9
230.14882	1.3
315.12790	19.2
315.18726	3.8
315.21756	100.0
316.22125	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2537
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
50.08976	0.3
53.29877	0.3
55.34818	0.3
56.07543	0.3
58.00583	1.0
59.01370	0.6
81.32327	0.3
84.39242	0.3
95.05009	1.3
95.36522	0.4
98.21848	0.5
100.29778	0.3
100.57703	0.3
125.09695	1.0
127.11291	2.9
127.71550	0.3
131.00340	0.3
141.12848	4.1
143.10760	1.0
155.10759	1.2
157.12363	0.7
165.09256	0.3
171.10286	2.4
171.13872	1.2
201.11284	1.3
239.23831	0.3
246.12303	0.8
278.11377	1.2
279.23312	2.0
295.22870	0.4
297.24347	9.0
298.24698	0.4
313.23828	4.7
314.24081	0.5
315.25369	100.0
316.25720	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.7
58.45451	0.5
59.01379	1.4
62.54961	0.5
69.54386	1.5
69.54766	0.8
78.29768	0.5
81.37051	0.6
85.13813	0.5
113.09721	2.2
123.16393	0.5
123.76241	0.5
125.09684	0.8
127.11302	0.8
136.45276	0.5
141.12825	1.2
143.10820	1.1
152.99588	0.6
155.14404	2.3
167.14372	0.6
171.13853	0.9
172.05278	0.9
183.13898	0.9
199.13387	2.1
279.23257	1.5
283.13364	2.5
297.24350	9.6
298.24509	0.6
313.23825	5.7
315.15738	2.0
315.25375	100.0
316.25739	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86753	0.8
55.70421	0.8
61.98828	100.0
70.16916	2.0
71.01378	1.4
76.26292	0.9
77.38897	0.8
79.95738	1.4
80.96507	9.8
87.00838	1.3
93.34050	0.9
94.98105	2.3
101.02439	0.9
106.98096	1.0
118.31846	0.8
119.77794	1.0
122.07853	0.8
122.22035	0.8
133.01442	2.2
142.52248	1.0
146.04549	1.0
152.98608	1.4
164.98622	1.8
172.99379	1.0
182.37321	0.9
191.05582	1.0
225.00764	3.4
317.05466	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1765
Annotation	suberoylcarnitine
Peak:m/z	Relative Intensity
59.01363	1.4
60.01711	0.6
63.79261	0.6
70.02965	0.8
71.01385	1.3
72.04546	5.9
88.04041	12.8
96.17411	0.7
100.04050	8.5
118.05106	25.4
139.48239	0.7
142.12367	4.4
143.10783	14.3
144.03032	12.0
169.12357	1.5
171.13872	1.6
172.06183	3.0
190.07219	4.7
211.13419	0.7
214.14474	5.6
256.16299	1.2
289.42386	0.6
316.17664	100.0
317.17987	6.4
317.21326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28472	0.5
59.01376	1.1
68.71733	0.5
69.24636	2.4
74.02465	1.2
78.75087	0.5
80.02690	1.1
81.03462	0.9
83.05025	4.8
84.02157	1.8
88.04041	43.0
88.09513	0.7
88.90171	0.7
89.04371	0.9
95.04984	0.8
95.66747	0.5
98.22651	0.9
101.49435	0.6
113.64796	0.6
163.11227	4.1
165.12831	2.8
181.12325	1.0
185.18698	0.6
191.10826	1.5
202.93764	0.6
209.11827	100.0
210.12186	6.2
227.12889	45.8
227.14615	1.0
228.13179	2.7
246.29340	0.5
247.14981	0.7
268.07693	0.6
270.20908	0.6
273.40967	0.7
316.17761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96259	0.6
70.77009	0.8
71.01380	4.4
73.02937	0.8
76.75262	0.5
78.98592	3.4
79.95731	5.1
80.96515	44.2
85.02937	1.5
87.00890	1.6
94.98090	9.6
97.02943	1.9
101.02458	1.9
106.98107	1.9
122.97591	2.0
125.02439	2.1
134.97531	3.3
135.32983	0.5
136.99138	1.1
139.97653	0.5
148.99139	5.0
152.98672	3.7
164.98625	8.6
167.00230	0.6
206.99715	1.9
219.12665	0.5
225.00746	14.2
302.36380	0.5
317.05463	100.0
318.05823	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
61.98803	1.2
63.96211	0.9
70.37857	1.0
71.01380	5.3
72.49780	0.5
73.02943	1.4
78.98588	3.6
79.95736	5.4
80.96514	46.1
81.03455	0.6
85.02942	1.9
87.00871	1.8
94.98085	9.3
96.96010	1.1
97.02957	1.1
97.66435	0.4
99.00873	0.6
101.02437	1.6
103.82955	0.4
103.92008	0.4
106.98106	2.3
110.41043	0.4
115.00383	0.8
122.97579	2.0
125.02444	2.6
127.04017	1.2
133.01428	1.8
134.97580	3.0
136.99158	1.3
148.99146	4.4
152.98631	4.8
160.89290	0.7
164.98608	7.5
201.00890	0.6
206.99672	1.9
225.00740	13.2
231.81726	0.5
254.98332	0.4
304.12253	0.4
310.33261	0.5
317.05450	100.0
318.05716	5.0
335.90192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.98637	1.8
61.98815	3.7
71.01383	53.5
73.02947	8.9
85.02918	10.3
87.00867	2.2
88.04037	3.0
89.02441	69.6
93.07125	3.0
95.01415	2.1
96.96024	2.8
98.22366	2.1
101.02444	25.4
113.02440	22.8
119.03502	21.5
128.03352	1.7
129.59045	1.9
130.08733	7.5
131.09024	3.1
133.77399	1.7
137.06081	39.0
145.52278	2.1
152.77811	2.1
158.41501	1.9
179.05612	3.9
186.16893	2.2
210.12244	4.5
228.13258	2.5
235.11966	2.7
243.18942	2.0
276.13287	2.2
285.43192	2.3
287.18002	2.3
317.05460	5.4
317.11993	6.9
317.15778	4.5
317.19107	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01389	11.9
69.03445	2.3
69.30116	4.4
69.30525	9.2
71.01368	4.0
71.05024	5.0
83.05058	2.9
85.82676	2.4
96.96013	2.7
97.02944	6.2
97.06596	5.7
98.21781	4.0
99.00885	34.9
99.08167	4.5
109.06597	2.5
110.03708	3.3
119.67424	2.2
125.09740	11.4
153.11372	2.0
163.11269	13.8
181.12349	49.1
182.12660	2.2
197.11871	3.6
199.03976	3.6
199.13397	45.8
202.43451	2.3
207.10281	46.8
209.11830	3.2
219.17516	6.4
225.11325	90.4
226.11621	4.3
227.12938	15.3
237.18629	4.3
243.12357	100.0
244.12611	7.0
247.29303	2.2
255.19569	7.0
263.16336	2.5
273.20590	3.5
281.17554	3.3
299.18439	15.9
317.05746	3.2
317.11652	4.3
317.15979	90.1
317.19675	63.7
318.16330	7.3
318.19794	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1968
Annotation	oscr#16
Peak:m/z	Relative Intensity
59.01380	100.0
61.82227	0.6
62.14028	0.7
69.48665	3.1
71.05031	3.5
80.06204	0.7
80.26678	0.7
83.05011	5.8
85.02947	1.6
89.50925	0.7
95.05028	2.9
97.06578	1.3
98.22655	0.9
99.08163	4.2
101.06094	9.2
104.47369	0.7
109.06602	10.6
113.06083	1.5
124.92084	0.7
129.09262	0.9
137.00287	0.8
137.09737	6.6
139.07622	4.9
155.10783	2.8
155.79305	0.7
165.12819	1.0
199.13438	1.3
215.78751	0.7
225.11360	1.2
229.09970	0.8
243.12334	1.0
257.17590	2.2
299.18643	4.4
317.16504	3.2
317.19666	93.0
318.19965	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71004	0.2
57.03444	0.3
59.01379	24.1
59.36142	0.2
60.54929	0.2
60.85314	0.2
69.03423	0.2
69.16190	1.0
71.01381	0.5
83.05035	0.6
87.00877	10.7
88.01239	0.2
95.05054	0.3
96.34460	0.2
96.96040	1.0
97.06568	0.9
97.83829	0.2
98.21882	0.4
98.95564	0.4
99.00875	2.1
99.08158	4.4
109.06586	0.2
111.07478	0.2
111.08120	1.2
111.73666	0.2
113.02452	2.1
113.09734	3.0
123.08178	0.9
125.08934	0.2
125.09713	1.1
127.11297	0.2
137.09740	0.3
139.07668	0.3
139.11270	1.0
141.09232	0.8
155.10724	0.2
157.12346	0.4
160.16264	0.2
163.11313	0.4
181.12314	1.0
183.17570	1.0
193.15976	0.6
199.13464	0.8
207.10255	1.5
209.15543	1.2
209.19154	0.8
211.13359	0.3
211.17041	1.7
213.18576	0.8
219.17516	0.9
221.15511	0.4
225.11314	4.0
226.11708	0.3
233.59572	0.3
237.14941	0.4
237.18617	2.6
238.19003	0.3
239.16510	2.3
243.12379	3.1
244.12782	0.3
253.18068	0.4
255.16238	0.8
255.19653	25.6
256.19962	1.9
257.17578	75.2
258.17908	5.5
271.19092	0.3
281.14188	1.7
281.17105	1.5
299.15125	0.9
299.18604	9.5
300.18997	0.7
317.19653	100.0
318.16788	0.3
318.20020	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1967
Annotation	oscr#16
Peak:m/z	Relative Intensity
59.01379	22.2
59.10413	0.7
73.16620	0.7
73.20679	0.6
79.57316	0.6
81.86923	0.6
96.07533	0.7
99.08160	3.7
100.22564	0.7
111.08118	1.4
113.09733	2.6
124.16093	0.8
134.92409	0.7
170.74156	0.6
211.17021	2.4
219.17485	0.8
237.18640	3.3
239.16571	1.8
241.14462	3.8
255.16850	1.2
255.19661	21.4
256.19992	2.4
257.17581	71.4
258.17889	6.4
271.31314	0.8
281.17734	0.8
299.10291	1.5
299.18616	7.9
317.11960	3.9
317.19669	100.0
318.20050	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	CAY10410
Peak:m/z	Relative Intensity
57.03450	1.7
61.66707	1.7
71.44142	1.7
83.05001	1.8
108.79871	1.6
119.08643	1.9
128.89940	1.5
137.09669	2.7
255.21069	2.0
273.22302	8.3
299.19821	1.6
317.21194	100.0
318.21420	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55661	22.5
69.54432	100.0
73.75340	21.1
82.31081	29.1
93.07611	22.2
132.41956	28.0
139.48029	20.2
159.87706	27.9
188.39775	24.2
205.64503	22.6
247.42650	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.7
59.01378	100.0
69.49566	3.0
71.01384	2.0
73.02907	0.8
74.02489	0.7
79.95751	1.5
85.02951	1.7
95.95255	2.1
96.96005	19.1
98.21930	1.0
101.02470	1.2
101.80932	0.8
113.02541	1.1
119.02014	0.7
151.07687	3.1
151.42088	0.7
164.98642	1.6
172.03964	0.7
208.20583	0.7
319.08554	15.5
319.14252	3.1
319.22870	2.0
329.70822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70194	7.0
69.59348	25.8
69.59696	6.8
81.99110	18.1
98.09896	6.8
98.21915	10.7
106.77536	8.1
122.47264	7.4
156.52411	7.4
176.96080	7.5
209.09241	7.5
223.28847	7.8
318.20569	100.0
319.22885	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0974
Annotation	Decaspirone I
Peak:m/z	Relative Intensity
50.92611	0.4
60.42565	0.4
69.63177	1.6
87.33178	0.4
94.21897	0.4
105.18031	0.4
109.73554	0.4
130.04272	4.0
131.04993	0.7
143.05029	18.5
144.05386	0.9
145.02971	1.6
146.03740	3.7
158.03729	88.7
159.04523	38.8
160.04884	1.5
239.08643	4.4
256.08887	1.1
257.09686	8.1
258.10010	0.9
259.07602	3.2
261.33545	0.5
282.06790	1.7
283.07642	14.9
284.08023	1.4
301.08682	100.0
302.09024	9.8
319.09732	46.4
319.19183	0.9
319.22681	8.8
320.10172	4.5
320.18939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1396
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.22134	1.0
55.01868	4.0
57.03438	3.2
59.01078	2.7
59.01379	55.6
67.13692	1.0
69.64889	2.6
71.01379	45.6
71.05014	1.6
72.99300	1.6
73.02941	21.5
75.00873	1.1
79.95737	1.4
82.03931	1.0
83.01395	10.5
85.02945	24.9
86.00104	2.5
87.00890	3.5
89.02444	13.3
89.32008	1.5
93.63649	1.0
95.01399	4.6
96.96004	11.3
97.43684	1.0
99.00873	7.0
101.02438	46.2
113.02449	17.9
119.03493	6.5
136.53929	1.2
139.07661	3.1
142.35898	1.3
143.03502	1.4
143.10829	1.1
145.02980	1.1
157.08699	4.2
159.02991	2.3
161.04558	12.0
172.10963	1.6
183.10338	1.3
192.61259	1.2
200.23755	1.1
275.15085	7.8
319.08676	8.1
319.13953	100.0
319.22784	4.0
320.14191	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	7.9
59.01382	3.4
68.28172	0.6
69.44782	0.9
69.45192	2.3
72.00903	4.0
72.99308	0.7
82.06632	3.2
87.22214	0.6
91.05527	18.4
103.05554	0.7
105.42217	0.6
112.07667	3.4
114.51456	0.7
118.06603	3.3
122.08893	0.6
129.10336	67.5
130.10695	1.7
141.10335	0.7
147.02852	0.7
147.04517	25.9
153.10350	3.3
154.08745	9.8
164.07156	58.1
165.07486	1.9
171.11380	47.2
172.11736	1.8
183.11401	1.3
216.13928	1.2
218.99207	0.7
233.16568	31.8
234.16954	2.8
258.14874	0.7
258.36539	0.7
275.13071	0.8
275.17667	6.2
277.15579	2.0
304.03845	0.9
319.16599	100.0
319.22739	4.4
320.16934	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87512	0.6
58.04080	0.8
59.01378	100.0
60.01723	1.0
69.09256	5.2
83.06158	1.2
85.07710	0.9
96.96007	1.3
98.21873	1.6
101.89098	0.7
105.00161	1.3
121.02980	3.7
153.05647	0.8
155.10783	1.1
157.08704	1.5
172.92712	0.8
201.11407	0.9
209.11920	1.7
217.13437	16.2
218.13721	1.3
242.13022	1.2
259.15625	24.4
260.16010	1.7
272.25040	0.8
296.71799	0.7
319.08603	1.0
319.13931	3.2
319.17526	0.8
319.22449	1.1
334.43494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1912
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
53.39819	0.9
69.84621	2.9
92.02683	1.5
106.04244	10.7
107.05020	1.4
119.05045	3.1
121.02967	9.0
142.59279	0.9
166.73627	1.0
182.79652	0.9
245.19043	1.7
247.20644	16.0
248.20993	1.2
257.19238	1.6
273.18604	2.9
275.20154	100.0
276.20523	9.4
317.20990	3.4
319.19171	92.4
319.22705	11.8
320.19440	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.01381	0.7
83.46168	0.5
98.81116	0.5
121.00100	0.5
138.45357	0.5
148.08936	1.1
151.11182	0.6
153.09177	0.7
163.11298	1.1
165.12823	2.4
167.53191	0.5
275.23849	3.7
301.21722	0.6
319.00601	0.5
319.22754	100.0
320.23038	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	18.1
59.01373	10.8
66.33099	2.5
67.64948	2.4
71.44044	2.8
113.09718	6.9
121.10217	5.1
175.14902	14.0
203.18132	3.5
207.67996	2.6
219.13866	20.0
257.22757	13.8
275.23880	5.1
279.96982	3.3
301.21677	24.4
319.22751	100.0
320.23154	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08901	7.2
58.04225	7.4
59.01382	100.0
61.98836	10.7
65.68862	9.3
71.01396	24.4
85.02945	19.2
89.02434	12.8
96.96030	63.9
101.02431	29.3
110.06123	10.5
118.78996	7.0
119.03524	13.3
148.80182	7.6
235.11908	13.3
276.08249	7.6
291.06006	7.5
320.14392	63.1
321.10361	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1351
Annotation	famciclovir
Peak:m/z	Relative Intensity
53.08901	7.2
58.04225	7.4
59.01382	100.0
61.98836	10.7
65.68862	9.3
71.01396	24.4
85.02945	19.2
89.02434	12.8
96.96030	63.9
101.02431	29.3
110.06123	10.5
118.78996	7.0
119.03524	13.3
148.80182	7.6
235.11908	13.3
276.08249	7.6
291.06006	7.5
320.14392	63.1
321.10361	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	12.6
61.98767	12.9
68.14091	11.9
70.99918	17.2
80.49072	12.1
80.96519	34.8
98.89455	12.1
119.67162	11.5
140.11981	10.1
211.76300	12.0
213.42230	12.2
277.21686	100.0
304.76941	14.1
319.20114	12.4
320.19116	32.1
321.20581	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0768
Annotation	YM 181741
Peak:m/z	Relative Intensity
59.01369	1.4
64.81894	0.9
65.00317	1.8
65.08157	0.9
69.73022	1.8
69.73386	1.8
78.30751	0.9
79.27695	0.9
81.03474	0.9
84.39246	0.9
91.01896	11.3
93.03448	16.4
95.01390	1.0
95.05044	1.0
98.22572	1.1
99.04513	1.0
107.04990	0.9
109.02965	5.7
109.06553	1.9
115.05496	1.0
117.03460	1.2
119.05055	1.2
121.02934	6.6
123.04533	1.2
123.08171	1.1
125.09735	1.7
130.04248	2.9
131.05020	2.0
133.02995	1.0
137.06093	4.4
139.11295	1.3
143.05022	3.1
145.02925	2.2
149.06071	2.8
151.07570	1.8
158.03722	13.0
159.04498	4.6
169.02965	2.6
171.04514	26.7
171.10193	1.1
172.05159	4.9
173.02333	1.5
185.02371	1.1
186.03188	2.7
187.03973	2.6
191.05608	2.6
195.04491	1.4
197.06053	1.7
199.04010	3.8
200.04669	1.3
206.07291	1.5
209.05981	1.3
211.13174	1.0
219.08153	2.2
220.05147	1.1
220.08949	3.5
221.06157	2.6
221.09782	8.6
222.06784	2.0
222.54166	0.9
223.03981	4.0
223.07660	1.1
224.04781	4.8
225.05534	4.9
232.05286	2.8
233.06017	3.6
234.06779	1.5
235.07661	5.8
237.09244	1.3
237.14908	1.4
245.06099	3.9
246.06830	3.9
247.07616	6.7
248.04787	3.3
248.08286	1.3
249.05476	7.4
249.09215	3.1
250.06299	7.0
251.07242	2.1
252.04344	2.4
253.05016	2.6
260.04773	1.0
261.05490	7.0
262.06244	6.0
263.07074	28.3
264.07776	12.5
265.08667	11.8
272.04074	1.0
273.05478	2.6
274.06149	4.3
275.07065	9.3
276.04364	1.5
276.07458	1.4
277.04999	5.7
277.18140	1.8
278.05838	6.8
281.04529	6.9
285.14984	1.8
289.04883	1.5
290.05646	2.5
291.03339	1.2
291.06625	23.4
292.07312	27.2
293.08176	43.3
294.08606	3.7
303.06473	3.9
303.15900	6.9
305.04446	1.2
306.05286	2.6
319.06152	3.3
320.06573	3.1
321.07654	100.0
321.16913	11.1
321.20410	1.8
322.08029	8.2
322.17581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58212	0.3
59.01375	2.7
61.98810	0.5
71.01376	0.7
75.98564	0.3
79.95737	21.5
85.02953	0.4
87.00868	1.4
95.95212	0.4
96.96010	100.0
97.95947	0.4
98.80253	0.3
101.02464	0.6
102.05610	0.4
122.97588	1.0
127.88099	0.3
128.03560	0.8
132.04585	0.6
134.03737	0.8
138.06889	0.5
139.07674	0.4
146.04582	1.4
149.06052	0.7
151.07637	1.0
153.09203	0.3
155.07066	0.4
160.04034	4.5
161.04553	0.3
167.00186	11.9
175.04041	0.5
193.05042	0.5
266.73044	0.3
321.10107	53.8
322.10352	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	0.5
67.52312	0.2
69.87492	0.8
71.01379	2.0
85.02951	0.3
89.02448	3.9
95.01437	0.3
96.96008	1.8
101.02431	1.4
102.29572	0.2
108.86009	0.2
113.02481	1.1
119.03491	1.5
119.27402	0.2
127.34760	0.3
143.03520	0.4
159.94487	0.3
179.05658	0.9
217.73653	0.3
321.10333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1707
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
52.30016	9.1
54.19641	11.0
56.34230	8.9
59.01385	16.1
70.82787	12.5
70.83136	10.7
71.05035	23.7
73.02934	29.9
79.15867	9.7
99.04517	100.0
107.05035	17.0
110.03733	11.3
161.84528	10.5
177.12872	14.2
189.12746	12.3
191.14406	30.1
203.10730	12.3
207.14011	18.2
222.36174	9.4
233.11806	24.9
235.13422	66.6
236.13847	10.2
251.12885	11.3
265.14539	12.6
285.14868	14.5
303.15942	42.0
303.19711	33.4
321.17068	25.7
321.20624	17.1
322.20258	14.4
337.27142	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03450	8.8
58.63293	1.2
59.01379	3.3
65.00968	1.5
65.03990	1.6
67.01863	1.6
69.03445	3.2
69.27670	4.4
69.28082	3.5
71.01356	2.2
71.05016	16.4
73.02933	1.9
80.02671	3.4
81.03460	8.8
83.05015	4.2
93.03455	14.6
95.05024	67.4
96.05353	1.5
97.06587	10.6
97.61015	1.6
107.05040	9.9
109.02963	1.6
109.06580	14.5
109.08471	1.5
111.04523	6.8
111.73759	1.6
121.02931	8.6
121.05771	1.4
121.06604	3.8
122.03740	2.7
123.04507	3.5
123.08143	10.7
125.09718	62.5
126.10033	2.3
133.06567	2.2
135.04535	9.5
136.05302	2.1
137.06078	3.1
149.06071	11.3
149.09665	1.9
151.07643	100.0
152.07967	4.4
163.11256	2.2
167.07111	6.1
167.10759	2.9
169.08623	1.5
171.10239	15.5
177.12836	3.5
178.06360	5.4
185.11838	19.5
187.09737	1.8
187.11234	2.7
200.55954	1.3
203.14394	3.0
205.12332	5.5
211.13307	1.6
212.63995	1.4
219.13852	7.0
221.11841	6.5
223.09776	2.2
223.13376	11.4
228.36958	1.3
235.13300	3.6
236.80745	1.3
237.11288	4.0
237.14920	1.9
247.13347	5.5
249.11263	2.6
253.13979	1.6
259.16855	1.7
263.12839	6.2
265.14420	29.7
266.14655	2.6
277.18051	3.1
279.15863	1.7
285.14996	2.3
286.63843	1.5
293.17557	2.1
303.16046	13.7
321.07626	2.0
321.13559	3.0
321.17072	33.2
322.17200	3.3
332.11090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
55.38736	0.7
58.33102	0.7
59.01374	1.5
69.09016	3.8
69.09411	1.9
72.69090	0.9
82.66947	0.7
86.63725	0.7
92.02679	1.3
98.22607	1.7
106.04223	6.8
107.05009	0.8
107.85959	0.8
113.37213	0.8
113.56789	0.7
119.05040	2.5
121.02926	3.8
168.27501	0.8
169.68460	0.9
191.72649	0.8
208.22337	0.8
236.95012	0.8
245.19154	1.1
247.20609	8.2
259.20627	5.3
275.20120	42.2
276.20474	2.8
277.21707	88.5
278.22079	6.5
321.20694	100.0
322.20996	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.4
60.01323	1.6
69.72389	1.6
69.72727	5.2
95.05030	4.3
123.08151	2.0
179.14340	1.9
181.12328	1.5
188.72626	1.5
195.13844	10.3
196.14536	3.0
209.61464	1.5
223.13445	11.0
227.69049	1.6
256.13171	3.6
275.20160	26.8
289.17990	6.2
290.30685	1.7
293.21225	100.0
294.21539	11.4
321.20731	11.7
340.52640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2433
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
51.85330	0.4
52.13589	0.4
56.59377	0.5
57.03450	2.9
59.01371	1.1
70.45618	0.9
79.58118	0.5
98.22593	0.5
108.65386	0.5
113.09722	11.3
121.10255	0.7
138.51741	0.6
195.13860	3.0
199.13440	0.8
205.16031	1.4
207.13951	2.9
209.58260	0.5
223.17084	4.7
271.59195	0.5
303.23312	2.7
321.24323	100.0
322.24652	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01378	1.2
61.93722	0.7
70.75974	1.6
78.95925	1.2
80.96512	3.2
108.14972	0.8
207.17493	1.0
221.15392	1.3
223.16995	12.4
224.17798	3.4
251.16495	8.7
252.17006	1.9
256.16779	1.1
284.16248	4.0
303.23297	10.3
321.24326	100.0
322.24664	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	Pacificin B
Peak:m/z	Relative Intensity
54.95786	2.0
55.44049	1.9
59.01353	3.1
69.64836	5.3
69.65223	3.6
74.27505	2.0
78.95908	2.9
80.96518	2.6
89.09550	2.2
95.20412	2.3
95.52582	2.2
152.99362	2.0
172.42357	2.1
179.35448	2.1
192.79590	2.1
196.32626	2.1
211.17039	21.1
239.16582	5.1
263.20190	35.5
289.18054	4.4
303.23306	51.7
304.23486	2.6
321.20804	11.1
321.24347	100.0
322.24881	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69227	0.7
59.01079	1.2
59.01378	23.6
69.61667	2.2
71.01365	2.6
72.00905	25.8
73.02946	1.0
83.20874	0.7
85.02939	0.9
89.02459	2.5
91.05527	2.1
92.05064	2.0
101.02427	1.5
103.05521	2.6
105.90401	0.6
113.02435	1.5
119.05029	0.9
131.01927	0.8
133.02975	0.9
136.04027	5.5
141.98262	5.3
147.04520	68.7
148.04874	2.9
160.04068	4.8
164.07164	100.0
165.07503	3.4
174.99237	2.1
187.98750	7.3
202.97397	1.1
229.99771	1.6
322.06055	88.1
323.06351	6.7
323.13113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0932
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
50.23833	0.9
59.01378	70.4
59.36300	0.9
61.58619	1.0
61.98814	2.3
71.01366	3.4
79.95753	2.3
85.02930	2.2
86.85470	0.9
86.91180	1.0
87.34882	0.9
89.02444	2.0
89.44991	0.9
94.32169	1.0
96.96008	81.6
101.02415	1.7
102.05608	25.0
107.55827	1.0
108.11249	1.0
128.03548	32.2
132.02173	1.5
132.04561	14.3
133.02968	1.2
134.02710	1.4
134.03737	33.4
146.04593	65.0
147.04883	1.6
149.06076	16.6
160.01697	5.3
160.04036	100.0
161.04413	4.5
161.07274	1.1
175.03995	12.1
175.08710	1.3
188.08287	1.3
193.05055	11.9
202.09937	2.0
214.71060	1.0
232.09650	2.2
260.09311	1.3
278.10294	2.5
287.14862	1.0
304.08191	6.9
322.09308	38.0
322.13699	1.8
323.11838	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73734	0.4
59.01379	100.0
60.01708	1.0
66.91663	0.4
69.96554	0.4
69.96870	0.7
71.01390	1.6
85.02956	0.9
89.02451	2.1
96.96011	23.8
99.00881	0.6
101.02451	1.2
102.05612	7.2
103.47243	0.4
112.68841	0.4
113.02495	1.0
117.03446	0.6
119.03531	0.6
121.60863	0.5
128.03539	8.3
132.04558	3.2
133.02946	0.6
134.03737	7.7
134.04671	0.5
140.82849	0.5
146.04593	16.4
147.04816	0.4
149.06068	4.8
155.91916	0.4
159.03049	0.5
160.01765	2.0
160.04034	26.3
161.04498	1.2
175.03973	2.4
177.05525	0.5
191.53110	0.5
193.04987	2.9
232.09819	0.6
276.07593	0.5
304.08429	1.7
322.09265	10.0
323.08389	0.7
323.11722	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.0
62.00151	1.6
71.01389	10.4
71.44297	2.1
72.99286	2.4
81.02183	2.9
81.03428	2.8
82.02998	7.5
83.05057	2.1
95.05030	8.4
96.04534	2.2
107.03753	3.3
108.02176	3.2
109.06592	4.7
121.03017	2.0
121.48481	2.1
123.08128	1.9
134.06122	3.1
135.00887	7.4
135.08153	2.3
149.09653	2.7
165.12827	2.2
171.10274	2.8
181.10803	2.2
193.71257	2.1
202.95139	1.9
203.14438	4.7
204.13930	3.8
205.12363	3.2
209.12018	2.3
214.96568	4.6
218.15321	2.7
221.11763	7.8
223.13396	6.8
230.15375	4.4
232.13411	14.1
235.13426	2.2
237.15005	11.2
246.15001	7.4
247.13365	46.6
248.13052	13.2
248.16336	2.0
250.14474	52.0
251.14774	2.0
259.13376	6.5
261.05475	2.3
262.14554	6.9
264.15976	12.1
265.14316	16.8
265.16559	1.6
274.14523	12.4
277.14285	2.5
281.04355	1.9
286.14664	3.3
287.16391	2.9
292.15552	100.0
293.15863	8.0
295.15549	2.3
304.15555	8.6
322.04700	6.7
322.16599	59.2
323.18503	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44862	0.3
58.02974	2.8
59.01357	0.4
69.20265	0.5
69.20676	1.1
70.06000	0.3
71.05016	0.6
80.02646	0.4
81.03446	0.6
83.05024	0.7
95.05033	1.4
97.06577	0.7
98.22592	0.7
107.05026	0.6
109.06592	0.7
113.06089	0.6
123.08180	0.4
125.06084	0.5
125.09731	0.8
128.10812	9.4
129.11201	0.4
130.08737	100.0
131.09087	3.0
135.08151	0.6
143.05017	0.4
153.09218	0.7
163.11313	0.8
165.12851	0.6
171.10210	0.3
172.09804	4.2
184.05928	0.3
191.05585	0.3
197.11826	0.6
201.11322	0.6
207.10338	0.9
209.11819	4.7
225.11362	0.5
230.68832	0.3
240.06279	0.4
243.17548	0.4
251.15489	0.3
261.18478	0.4
269.15613	0.4
279.19730	0.3
287.16547	0.8
305.17578	5.9
322.20224	38.3
323.09198	0.5
323.20560	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63546	0.3
58.02969	1.7
59.01359	0.3
64.69263	0.3
76.29456	0.4
81.03455	0.5
82.06606	0.3
84.05374	0.3
93.03477	0.4
95.05025	0.8
97.06569	0.6
109.06557	0.9
128.10822	7.4
130.08737	100.0
131.09094	3.1
165.12808	0.7
172.09871	0.5
173.04639	0.4
287.16241	0.5
305.17557	0.8
306.66992	0.4
322.20227	39.7
323.20807	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	14.1
69.82886	30.2
69.83265	38.6
80.96526	27.7
96.20413	15.9
100.17185	15.6
119.34616	17.2
133.78902	16.2
137.60570	16.2
147.07542	15.0
148.93945	14.9
150.03271	15.2
153.36639	18.2
160.04024	18.9
171.89398	14.3
247.19318	15.9
279.23291	100.0
322.21207	22.6
323.16754	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.3
59.01375	6.5
60.29775	0.6
61.12450	0.6
61.98822	1.3
67.01889	0.8
70.55503	1.0
72.59190	0.6
72.99291	1.3
81.03452	0.9
85.02950	19.5
85.03469	1.2
95.05011	0.9
96.96007	6.1
97.02955	0.7
101.02435	10.8
103.04003	7.7
107.05099	0.6
108.02195	2.8
109.06588	1.4
110.03737	0.6
111.00883	8.2
113.02409	0.6
117.03407	0.9
122.03731	0.7
122.43111	0.6
129.01944	82.0
130.02280	1.5
130.08763	5.0
133.02933	0.6
134.03745	18.3
135.04018	0.6
136.05280	4.5
147.02995	100.0
148.03349	1.8
149.06073	0.8
160.01636	0.8
173.36072	0.6
175.04024	0.7
178.02803	0.7
193.05046	10.6
209.11845	0.8
211.13429	2.7
221.15482	1.0
223.13345	6.8
233.15359	0.8
235.13409	1.2
237.14958	1.5
245.12090	0.6
247.13356	6.6
249.14975	1.7
251.12856	3.8
259.13391	4.9
261.14920	1.5
263.12729	1.0
265.14447	9.1
277.14331	4.1
287.12897	2.0
305.13953	11.6
306.14145	0.9
323.08386	1.0
323.15005	14.5
324.18164	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31805	0.9
57.03437	1.7
59.01377	19.7
61.98830	9.3
69.50636	2.2
69.51023	2.0
71.01374	3.7
85.02948	34.4
85.03468	2.1
85.21588	1.0
89.02459	4.7
89.03940	1.7
96.96000	1.8
101.02448	25.8
117.03471	6.0
129.01941	100.0
130.02258	2.1
134.03743	61.6
135.04079	2.8
141.95944	1.0
147.02989	5.8
149.06085	4.2
160.06416	4.1
161.07188	17.3
175.08755	10.5
178.02678	3.4
189.06691	26.2
190.07060	1.0
193.05060	63.8
194.05330	4.1
203.08241	11.5
211.13341	2.7
272.90872	1.0
318.23901	1.1
323.08481	1.2
323.12399	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1247
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.48790	0.8
59.01377	57.3
59.91755	1.0
65.74328	0.7
69.41151	3.5
71.01380	10.0
83.01391	1.2
85.02941	1.6
89.02435	9.5
90.56506	0.8
96.96008	11.7
101.02436	8.4
108.35698	0.8
116.51971	0.8
119.03513	1.1
133.03014	1.3
145.07675	1.9
146.04872	1.0
160.06406	14.6
161.07202	63.1
162.07565	2.7
175.08754	45.4
176.09155	1.8
177.01956	0.8
179.03494	0.9
187.04111	1.0
189.06693	100.0
190.07005	5.8
203.08247	43.4
204.08632	1.7
229.09750	1.5
244.33046	0.9
247.18015	0.9
295.13309	1.0
305.11407	1.4
323.12402	38.3
324.12668	2.6
336.03033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01377	100.0
60.01711	1.2
69.03459	1.7
69.96839	2.2
71.01380	42.9
71.46506	0.8
72.99310	1.6
73.02954	2.8
81.09331	0.9
83.01425	1.1
85.02946	9.2
87.00896	1.1
89.02441	47.1
95.01395	2.5
96.96009	28.0
97.02962	0.9
99.00895	1.4
101.02446	28.3
111.81551	0.8
113.02448	17.4
119.03500	24.3
121.02985	1.2
123.04485	0.8
125.29234	0.8
131.03493	1.6
133.02945	3.4
136.04102	0.9
143.03479	1.9
149.04530	1.1
161.04544	2.7
177.01868	1.9
179.05618	5.4
285.09821	1.2
313.55978	0.8
323.13672	79.7
324.14133	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
57.03437	2.4
58.00584	0.9
59.01379	100.0
59.74026	0.7
60.01718	0.8
65.27995	0.9
69.03442	1.4
70.95145	1.2
71.01382	62.0
72.01705	0.9
72.99322	1.8
73.02944	8.3
83.01382	3.3
85.02954	16.5
86.00117	0.9
87.00879	3.3
87.43788	0.7
89.02444	48.2
95.01363	4.6
96.96042	1.0
97.02901	1.0
99.00880	3.8
101.02440	36.6
103.04025	1.0
113.02451	23.0
118.95969	0.8
119.03503	21.2
121.03030	0.9
129.01901	1.1
129.05548	1.5
131.03554	1.1
133.02989	3.7
141.25702	1.0
143.03513	4.0
147.06627	13.7
149.04552	1.6
159.03011	1.5
161.04555	13.5
161.05826	1.0
173.08215	4.1
176.46695	0.7
177.01933	1.3
179.05589	3.1
201.07744	0.9
236.74265	0.8
239.50877	0.8
263.11316	7.8
274.25574	1.0
291.10785	1.3
323.13467	84.7
324.10464	1.0
324.13562	5.5
335.23718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75666	0.6
56.66327	0.5
59.01377	100.0
60.01713	1.4
61.98823	2.2
69.68081	1.5
71.01380	5.1
71.05019	0.7
73.02953	1.9
83.12949	0.6
85.02955	2.5
88.91499	0.5
89.02448	4.1
92.05072	0.5
96.96024	1.4
98.22561	1.0
99.00870	0.9
101.02451	3.3
101.06087	1.0
113.02469	2.5
118.24703	0.5
119.03519	1.6
122.93991	0.6
133.02974	1.0
136.04045	2.2
136.94063	0.9
138.68423	0.6
138.93788	0.6
143.03485	0.8
159.02983	0.7
161.04520	3.6
165.06726	0.7
170.37241	0.6
178.95135	1.0
178.97833	1.4
179.05655	0.9
179.95509	1.1
180.94681	0.9
180.97499	0.6
181.95235	0.9
182.09361	1.5
263.11285	3.3
322.96265	1.0
323.13745	0.7
324.10199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01379	100.0
61.98826	3.8
62.27432	1.3
69.34512	4.9
71.05019	6.8
81.03481	1.8
83.05020	1.3
93.03442	1.4
94.60861	1.2
95.05020	10.1
97.06611	3.0
106.04200	1.7
107.05047	2.8
107.08627	1.5
109.06586	4.5
111.08223	1.4
113.06115	1.5
113.09753	1.5
115.07633	8.0
121.06587	2.2
123.04539	1.7
125.09724	5.0
127.07641	3.7
133.06622	4.6
135.08180	5.2
149.09705	3.2
151.07645	3.0
151.11313	6.4
163.11281	3.0
165.09175	2.2
171.10254	16.7
185.11867	2.3
187.11266	13.9
188.11726	2.0
189.09215	1.8
189.12895	2.5
191.05865	1.4
197.11859	1.8
199.13316	1.9
203.14383	2.8
207.10292	8.0
209.11862	4.6
215.12766	1.8
219.13867	8.8
223.13368	4.2
225.11279	8.7
227.12956	8.6
235.13429	1.9
235.20641	1.5
243.17531	5.5
247.13361	3.7
247.98100	1.4
261.11005	3.5
261.18637	5.1
265.14438	3.8
277.18027	2.5
279.19592	15.6
287.16486	10.4
305.17499	23.2
306.17960	2.4
323.05310	2.0
323.18613	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
59.01379	100.0
60.01723	0.8
61.98825	1.0
62.62024	0.5
63.62680	0.4
71.01392	1.9
71.44160	0.6
73.02948	1.1
73.94408	0.6
85.02958	0.9
93.07082	0.6
96.96012	1.1
101.02470	2.2
111.00881	0.7
113.02439	1.0
161.04619	2.0
161.50185	0.5
171.10347	0.7
175.21756	0.5
178.65479	0.4
263.14941	3.6
305.17709	0.9
323.15350	0.7
323.19421	1.1
339.66586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
55.01878	4.7
57.03448	33.2
59.01366	10.4
61.98818	5.2
68.19905	3.5
69.03447	10.3
69.64674	11.7
71.01381	5.2
71.05017	39.0
80.02674	4.6
81.03455	10.9
83.01395	9.5
83.05020	23.5
84.02166	9.0
84.24014	3.7
85.02946	5.4
93.03479	5.0
95.05025	63.4
97.06596	16.7
99.92579	30.0
100.93366	11.4
101.06123	5.6
107.05035	8.0
109.06593	15.9
111.04512	5.4
111.38165	3.3
113.06084	43.2
115.92103	8.9
116.92871	65.7
119.47463	3.7
121.06561	7.0
123.04533	5.7
123.08159	7.9
125.06066	5.2
125.09756	23.5
135.08144	14.8
137.06174	4.2
139.07559	3.9
151.07668	8.2
153.09195	5.3
161.09744	5.0
163.11345	11.5
165.09154	6.8
165.12885	7.4
167.10741	6.9
171.10281	9.6
177.12878	7.1
181.12315	10.1
185.11819	18.0
189.12917	8.0
191.10806	8.8
193.12299	7.1
193.16071	4.8
195.13916	8.0
201.11244	4.5
203.10847	6.1
203.14381	6.5
207.10263	6.4
209.11841	100.0
210.12299	6.8
211.13452	6.4
221.11847	7.5
223.13512	6.4
231.13863	6.1
237.14943	90.4
238.15295	7.0
243.17493	14.0
247.13402	13.0
249.15106	9.2
261.18790	4.9
265.14502	18.4
287.16476	49.1
305.04877	8.0
305.17575	71.7
306.18091	5.8
323.05844	28.9
323.18668	40.4
327.03345	4.4
331.47858	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03428	1.8
59.01369	2.6
70.53217	1.3
80.02651	1.8
83.05020	6.7
95.05041	1.9
97.02939	1.3
97.06587	2.5
107.05022	14.9
109.02976	1.1
109.06580	2.6
110.03737	3.1
113.06087	1.9
117.95618	1.0
123.04498	1.7
125.02374	1.7
125.06065	4.2
125.09698	8.8
135.08173	5.5
138.56169	1.1
147.04478	1.3
153.09215	10.5
163.11249	7.7
165.12871	3.9
176.08397	3.9
178.09935	3.3
183.39859	1.1
185.11807	2.3
190.10010	1.3
191.10788	2.0
197.11836	10.1
207.10226	7.0
209.11813	100.0
210.12117	5.4
225.11383	6.8
233.15335	1.1
236.10539	2.8
243.17578	2.6
245.15474	1.6
254.11623	2.6
261.18546	5.3
263.16562	2.3
272.71558	1.0
279.19519	4.0
287.16498	11.3
305.17603	92.2
305.21075	10.0
306.17969	6.1
306.21136	1.5
322.11783	1.2
323.18622	12.7
323.22031	2.1
324.18985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03447	10.6
59.01382	3.5
62.76086	1.4
69.03451	2.0
69.55102	5.3
70.87075	1.3
71.05016	32.0
73.02958	1.5
76.94195	1.4
80.02664	1.7
81.03455	4.4
83.05019	8.8
93.07154	1.6
93.64339	1.4
95.05025	61.9
96.05396	2.2
97.06602	11.8
98.77017	1.4
101.01919	1.5
105.01762	1.4
107.05017	3.2
109.06586	35.3
109.64799	1.6
110.03712	2.8
111.08141	1.6
121.06596	2.9
121.91246	1.7
123.08166	3.3
125.09687	8.3
127.11283	2.8
133.06625	4.9
135.08177	16.9
136.05318	2.4
139.07655	5.0
149.09642	2.0
151.07671	12.8
151.11256	7.3
163.11328	1.7
165.12875	1.6
171.10268	100.0
172.10619	5.5
177.12813	4.0
179.14502	2.7
185.11853	4.4
189.12831	10.4
205.15987	2.0
207.10271	2.4
209.11790	13.3
211.13438	2.6
221.11890	1.5
223.13391	16.6
225.11266	1.8
233.11798	14.7
235.13365	3.5
237.14987	2.8
243.17432	3.3
247.13467	4.1
249.14944	28.8
250.15416	1.8
263.16483	4.5
265.14478	6.3
277.18008	5.0
279.19653	2.5
287.16519	15.7
288.16977	2.4
305.17572	34.0
306.17932	3.4
323.05310	1.7
323.18536	7.0
328.64203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48299	1.8
57.03446	31.5
57.10526	1.9
59.01384	15.5
65.03967	2.2
69.03448	5.7
71.05017	6.5
71.43643	2.6
73.02956	2.8
78.80014	2.2
79.05517	4.7
81.03448	3.7
83.05008	12.0
85.77338	2.0
91.01897	6.3
93.03464	5.5
95.05038	10.1
97.06605	4.1
98.03744	7.8
107.05009	8.4
109.06589	35.9
109.22504	1.9
111.04517	2.7
111.08154	8.2
116.07185	32.6
121.02936	4.2
121.06583	4.2
122.03701	2.9
123.04503	2.5
123.08147	3.5
125.09698	5.0
127.07650	14.7
127.11296	5.0
133.06615	3.2
135.00890	40.4
135.08167	5.8
136.05295	2.7
137.06058	3.1
149.09717	9.6
151.07632	17.0
151.11369	3.4
158.08223	8.5
163.11212	3.3
165.09177	2.8
167.00571	2.2
171.10266	100.0
172.10611	4.8
185.11832	20.9
195.10252	46.7
197.11836	2.7
203.14444	7.8
207.10233	5.6
209.11842	4.7
214.96506	17.8
223.13396	17.2
225.11322	4.5
233.11949	2.9
237.05592	7.7
237.14796	2.8
247.13387	34.4
248.13887	4.1
263.16385	4.4
265.14435	65.3
266.14670	4.0
281.04498	19.8
287.16513	22.3
305.17593	38.5
306.17853	4.8
309.03964	8.0
323.08636	2.9
323.18561	21.5
324.06381	18.8
324.18253	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
125.05936	0.7
141.09201	0.6
148.08942	1.1
150.10466	0.8
163.11266	1.0
165.12836	17.1
166.13216	1.1
176.12091	0.6
179.14429	0.9
191.14517	1.1
214.82111	0.6
247.20654	10.2
273.18549	7.1
273.21198	0.8
291.19666	100.0
292.20013	9.9
298.06393	0.5
339.91895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
69.92870	1.6
79.84638	0.5
97.06561	0.6
102.15867	0.5
123.04565	0.7
124.05273	0.6
125.09744	0.6
137.06148	1.7
165.09242	1.5
165.12898	1.2
189.12778	0.6
191.44225	0.5
205.78000	0.7
217.15979	1.1
225.14964	0.8
239.24565	0.5
261.22244	4.5
276.84857	0.6
287.19830	0.6
291.16379	0.5
291.19550	1.2
305.21210	100.0
306.21576	10.8
323.18909	1.2
323.22250	23.8
324.22653	2.2
328.48438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03443	1.6
59.01374	6.5
69.03452	2.5
70.76422	2.0
71.01370	1.4
71.04643	1.9
71.05016	24.3
73.02911	1.2
76.44624	1.0
78.31512	1.1
81.03454	1.2
83.04977	1.1
85.04536	1.0
95.05031	1.6
97.06570	8.9
100.05231	1.0
107.05024	4.1
109.06617	2.8
111.04500	1.5
111.08145	2.6
121.10206	2.9
123.07321	1.3
123.08163	3.8
125.09721	8.0
127.07652	1.4
130.49767	1.1
137.09666	1.3
147.08173	1.4
151.07631	2.7
151.11244	3.1
154.25229	1.1
163.11388	2.4
171.10255	6.6
177.12834	4.0
181.12346	2.4
183.10258	1.3
195.13918	1.5
197.11890	1.4
207.10167	2.9
207.13878	3.5
211.13382	1.6
213.91119	1.2
219.13824	4.0
222.12553	1.4
225.11320	2.6
227.12953	1.5
229.19460	1.7
233.15448	3.5
235.16989	5.5
247.20596	2.7
261.18488	1.3
265.18091	11.7
266.18451	1.5
272.33090	1.2
273.18631	5.9
279.19598	2.1
291.19662	100.0
292.19986	10.3
305.17563	4.1
305.21231	18.0
323.19180	3.2
323.22241	85.5
324.22623	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.0
59.01367	8.6
59.36607	2.0
61.62129	1.8
69.03445	3.0
70.97799	2.4
71.05015	12.8
81.03454	2.0
83.05013	3.5
85.06638	2.1
93.03442	3.1
95.05043	5.6
97.06578	8.0
98.14852	2.0
107.05038	2.4
109.06633	2.6
111.04535	13.9
111.08144	3.7
119.04980	2.2
119.08668	2.0
121.10212	11.0
123.08167	5.8
125.09772	9.0
137.09703	13.6
149.09677	5.7
151.07643	2.4
151.11255	4.7
171.10257	16.1
177.12837	32.2
185.11823	12.5
191.14375	2.2
197.11832	3.6
207.10257	2.9
209.11786	6.3
209.15494	2.3
217.15974	3.8
225.14832	2.5
233.15424	8.2
235.17050	4.0
247.20566	2.1
260.07269	2.3
265.18015	16.3
273.18594	12.5
291.19632	67.6
292.20056	5.0
305.17520	6.4
305.21103	51.8
306.21393	4.7
323.22229	100.0
324.22403	10.6
338.60034	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
59.01360	2.7
59.67066	2.2
71.07774	2.1
75.97666	2.0
89.35146	2.1
97.06573	4.5
123.61627	1.9
139.11230	2.8
151.11282	3.8
179.14449	2.7
184.24664	2.0
247.20636	35.7
248.21118	2.7
273.18787	3.9
291.19662	100.0
292.20093	7.8
305.17892	2.9
309.20837	2.6
315.25659	2.3
323.22260	99.9
323.25656	4.6
324.22528	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
57.03452	3.5
59.01377	4.4
60.00779	1.8
74.14822	1.7
89.67102	1.5
96.96005	3.7
98.22769	3.6
100.91584	1.5
110.08084	1.8
111.08145	3.2
113.09759	2.2
125.09698	2.8
165.12840	7.3
181.12347	2.6
195.12418	1.5
195.13853	9.9
247.20660	4.2
265.14758	4.0
273.18558	5.1
277.21774	15.0
291.19644	82.2
292.19989	6.9
295.22772	72.1
296.23129	5.9
308.19815	5.2
323.22260	100.0
324.22589	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2592
Annotation	15-HEDE
Peak:m/z	Relative Intensity
65.77639	12.8
69.03465	13.0
69.93627	32.3
85.75397	10.9
93.64890	13.2
98.21908	14.8
119.98911	12.0
120.05730	10.6
134.21388	11.0
165.14355	10.6
277.25461	17.2
279.26935	100.0
323.25833	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2589
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
59.01371	1.1
65.62283	0.4
66.92934	0.4
70.51476	1.0
78.83790	0.5
83.20575	0.4
94.73726	0.5
113.09714	1.2
192.74014	0.5
199.13403	2.8
207.17499	1.1
211.13057	0.5
223.17030	13.5
223.65550	0.5
224.17332	1.0
247.20636	1.5
291.19504	0.7
305.17520	0.7
305.24866	18.1
306.25232	1.8
323.25894	100.0
324.26233	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76370	5.3
54.62017	5.1
55.57032	5.3
61.98807	6.4
183.01157	44.1
268.67511	5.8
325.18347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01382	1.8
69.71278	0.9
69.71635	0.6
70.90626	0.3
71.01382	0.9
72.62701	0.3
72.85278	0.4
73.02942	0.5
85.02941	0.5
93.03468	0.6
98.21924	0.7
101.02473	0.7
107.44554	0.4
109.02969	0.5
114.05596	0.5
117.03454	0.5
119.05025	100.0
120.05356	4.2
123.04530	0.5
133.02965	1.4
135.04486	0.7
144.03035	0.4
152.01210	0.4
159.15326	0.3
163.04005	74.1
164.04359	3.1
165.05560	0.7
167.03514	0.4
177.01901	0.9
193.20808	0.3
201.05658	0.3
205.04892	0.3
253.04997	0.6
288.91403	0.4
289.07217	1.2
311.11774	0.4
325.13837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
65.37786	0.5
69.62425	1.6
82.02094	0.5
93.03439	0.8
101.02494	0.6
114.05608	2.1
119.05028	100.0
120.02232	0.6
120.05364	3.1
123.04530	0.9
133.02907	0.8
135.04526	1.0
144.03011	1.4
163.04012	77.8
164.04350	3.7
167.03560	0.9
184.33522	0.6
191.07091	0.5
294.32239	0.6
307.09003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01953	1.2
59.01382	100.0
60.57831	1.1
69.74700	1.0
71.01379	13.2
71.44395	1.3
72.99303	1.5
73.02950	26.8
79.75053	1.0
83.01387	4.5
85.02968	2.5
89.02466	5.3
96.74363	1.1
97.06645	1.1
100.24074	1.2
101.02440	13.9
113.02446	5.8
114.09252	3.8
115.09580	2.1
116.07187	53.3
117.07520	18.3
121.02970	8.7
130.08731	1.3
131.03477	1.3
193.05048	1.3
223.13750	1.5
248.05542	1.1
263.13086	2.0
284.41455	1.1
294.08133	1.2
325.12793	2.8
325.18549	23.5
326.19342	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48179	0.5
58.02964	0.7
59.01381	100.0
60.01701	1.3
61.98839	1.7
71.01382	5.8
71.05045	0.6
71.62458	0.5
73.02961	2.6
83.05051	0.6
83.16344	0.5
84.61705	0.5
85.02962	3.8
89.02458	2.1
95.01405	1.0
96.96042	2.3
98.95607	2.0
99.00886	0.8
101.02441	5.6
101.86181	0.7
113.02457	4.4
119.03520	0.8
125.33167	0.6
128.82701	0.7
129.01973	1.3
130.08710	0.8
131.03511	1.1
133.02966	0.8
134.03780	0.7
147.03003	1.4
149.03432	1.2
161.02557	0.5
209.11823	0.8
213.11685	0.7
265.10861	0.7
289.16617	1.5
295.06235	0.6
310.08490	1.2
325.07208	1.3
325.13495	0.9
325.16791	0.7
326.19897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
59.01379	100.0
61.98830	13.1
69.03480	0.8
71.01383	16.0
73.02944	5.2
74.02501	0.8
82.95443	1.4
83.01370	1.1
85.02941	5.8
87.00900	1.5
89.02444	11.0
97.02966	1.4
99.00896	1.2
101.02445	14.9
102.63428	0.7
113.02443	8.0
119.03551	6.1
119.05027	18.0
125.87326	2.5
131.03500	1.4
133.02960	1.9
133.79454	0.7
134.04765	1.2
143.03537	0.9
147.04625	1.2
159.03090	1.0
160.84250	1.1
161.04556	5.9
163.02637	1.2
163.04005	14.4
164.04358	0.9
164.07202	2.4
177.01956	0.9
179.05652	0.7
181.61464	0.8
221.06714	1.3
255.43114	0.8
261.31830	0.9
265.12912	15.9
265.15411	1.1
325.03601	1.6
325.09726	2.1
326.05661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48866	0.5
64.36474	0.5
69.11082	3.5
79.95717	2.4
85.29919	0.6
119.05031	1.8
170.00410	2.3
183.01202	71.5
184.01875	5.4
185.02463	0.5
197.02766	5.0
198.03481	1.6
211.04448	0.9
225.05893	1.5
234.23000	0.5
239.07455	2.0
240.81210	0.5
261.22025	0.6
325.18417	100.0
325.26889	1.9
326.18756	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84390	0.3
59.01360	0.5
59.66209	0.3
68.02103	0.4
69.19593	2.0
70.00043	0.4
71.04991	0.4
79.95742	1.0
90.79178	0.3
98.40642	0.3
101.02470	0.4
118.60356	0.3
119.05051	0.8
170.00456	1.0
183.01195	33.6
184.01892	3.6
197.02838	2.9
198.03316	0.8
211.04276	0.4
225.05795	0.4
239.07387	0.4
239.23810	3.0
253.09087	0.4
265.25323	1.5
266.25488	0.4
279.26733	0.5
281.28384	2.2
307.26324	2.2
325.18405	100.0
325.27289	18.2
326.18713	10.1
326.27692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86554	0.4
56.74950	0.4
58.95778	0.3
62.96060	0.4
66.48608	0.3
69.37914	0.9
69.38309	1.3
79.59992	0.3
79.95751	1.4
98.21747	0.6
98.53907	0.4
113.86683	0.4
118.26388	0.4
119.05029	0.9
133.06621	0.5
149.09718	13.2
150.10020	0.7
163.11284	18.5
164.11586	1.0
170.00464	1.3
183.01198	45.4
184.01947	8.0
197.02800	2.3
198.03531	0.8
211.04332	0.4
216.00986	0.7
239.07494	0.6
253.08955	0.5
261.22260	0.5
299.28101	0.4
325.18396	100.0
325.21796	15.6
326.18726	10.1
326.22168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08029	1.7
58.00568	3.0
69.08221	11.0
69.44199	1.7
71.01377	9.0
72.02161	2.9
73.02942	1.8
81.03458	1.6
83.05009	5.0
84.02146	4.9
97.06593	5.4
99.08173	5.2
104.48814	1.6
109.06582	2.3
111.08159	4.1
115.07620	5.3
125.09706	4.2
127.07659	20.2
139.07645	4.3
141.92181	1.6
155.10765	4.5
163.11255	6.3
163.79445	1.8
165.12840	4.8
171.10278	4.0
178.10010	3.4
181.12340	2.1
185.11821	23.9
191.10828	3.3
197.11809	29.0
199.13406	10.7
201.11333	5.7
208.74702	1.6
209.11838	80.1
210.12204	5.3
211.13365	2.0
216.02951	1.9
227.12880	33.9
228.13152	1.9
229.14542	2.6
238.12073	10.3
245.18999	2.7
253.18108	2.4
256.13168	5.0
263.19931	2.0
289.18030	8.7
307.19131	100.0
308.19504	8.1
325.20181	47.6
326.20547	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15582	0.8
69.62415	2.0
71.01355	2.7
80.02669	1.2
81.03439	1.9
83.05018	8.4
84.02174	2.0
97.06599	1.0
97.17842	0.8
99.08140	2.1
106.43198	0.8
109.06550	1.7
125.09665	1.8
127.07662	8.4
128.96768	1.0
135.08153	1.8
137.09738	1.2
139.07635	1.8
140.65277	0.9
155.10744	1.2
163.11299	6.2
165.12802	3.0
178.09900	1.6
185.11835	10.6
191.10783	1.7
197.11812	12.1
202.29002	0.9
209.11819	100.0
210.12170	4.4
227.12845	6.8
228.09520	1.0
238.12149	6.5
256.13101	2.0
274.61472	1.0
289.18088	4.1
307.19141	58.5
308.19525	5.1
325.20175	23.2
326.20834	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
57.14529	0.8
58.00587	1.1
59.01363	1.1
62.30460	1.0
65.84766	0.9
69.03452	1.4
70.26908	2.2
71.01383	7.1
71.05013	3.0
72.02171	0.9
72.62471	0.8
79.05534	1.4
80.02677	1.1
81.03445	1.3
81.07105	1.2
83.05022	6.6
84.02171	3.7
85.02967	1.0
90.76149	1.0
95.05035	2.5
97.02953	1.6
97.06573	5.7
98.22498	1.1
99.04529	1.7
99.08154	4.0
109.06586	2.5
110.03752	1.3
111.08156	1.5
112.05303	1.6
115.07645	3.0
123.08170	1.2
125.06097	1.1
125.09729	5.8
127.07658	19.5
135.08156	2.6
137.09743	1.3
139.07674	4.7
153.09203	12.0
155.10793	5.5
163.11285	5.7
165.12810	2.2
167.10831	1.2
171.10262	16.5
178.09990	3.1
183.13876	1.5
185.11830	21.9
191.10858	2.4
191.14351	1.5
193.12263	1.5
197.11839	18.3
207.10286	2.6
209.11824	77.2
210.12152	6.0
211.13432	2.1
212.96724	1.0
225.11366	1.4
227.12926	2.0
236.10530	1.6
237.14928	5.2
238.12141	8.1
239.12633	1.2
245.19121	3.3
249.14915	1.8
256.13071	4.9
263.20187	1.5
265.18161	1.6
279.19635	1.6
281.21252	1.4
289.18082	16.6
307.19144	100.0
308.19470	14.2
325.20203	56.4
326.20358	6.4
337.98346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	4.8
59.01384	1.5
61.13794	1.2
70.21896	1.0
84.02181	1.2
84.89200	1.1
97.06578	2.8
100.00668	1.1
112.40396	1.0
113.06062	1.3
115.07646	1.5
125.09795	1.4
127.07669	4.0
128.40955	1.0
151.11282	6.7
153.12906	5.4
155.14433	1.6
155.62199	1.0
165.12880	2.1
181.12337	2.6
183.13885	2.0
185.00497	1.0
191.10686	2.1
197.11850	12.4
198.12151	1.3
199.11633	2.0
199.13399	25.9
200.13661	1.3
209.11934	5.2
215.12926	5.2
227.12885	100.0
228.13229	6.1
229.14426	18.7
230.14709	2.0
245.19032	1.3
248.89786	1.1
263.20190	2.9
279.19727	1.5
281.21252	1.3
289.18121	2.7
297.20712	2.1
300.68198	1.1
307.19159	13.4
308.19629	1.6
325.20236	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62803	3.2
58.00597	5.4
59.01377	14.0
63.21335	2.8
69.03455	3.4
69.77393	9.7
71.01389	3.6
83.05035	5.3
84.02164	4.3
84.05853	3.0
89.26026	3.2
91.10425	2.9
97.06615	3.8
106.04312	3.4
109.06610	4.2
111.08167	24.6
113.06074	15.7
114.41370	3.1
120.45499	3.5
123.08185	13.0
125.09698	7.1
127.07657	14.2
127.11285	5.7
135.08078	3.7
139.11328	3.5
151.11232	3.7
153.09143	7.2
155.10767	6.5
163.11285	6.0
165.12827	12.5
167.10767	6.1
169.12358	7.2
171.10266	46.0
183.10323	4.6
183.13879	32.1
185.11819	33.4
195.22183	3.2
197.11816	43.8
198.12379	4.9
201.11304	50.6
209.11821	13.7
210.12260	4.6
211.13472	29.9
213.11308	14.7
225.15033	5.3
227.12895	34.6
233.55528	3.2
245.19147	6.6
263.20071	35.9
264.20551	5.4
281.21194	17.8
289.18109	13.1
307.19095	23.9
325.20200	100.0
326.20535	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	1.3
57.03608	0.5
59.01299	1.4
59.01576	0.7
65.75501	0.5
70.74728	0.8
71.04940	1.1
77.10186	0.5
81.03338	0.5
83.04947	0.7
95.04930	0.5
97.06493	1.1
99.08057	0.7
104.86690	0.5
109.06490	0.7
111.08080	0.6
113.09647	1.1
121.02943	5.1
122.03745	5.1
123.04424	1.0
125.09598	1.7
127.07531	2.1
136.05267	4.1
137.05890	0.6
137.09650	1.4
139.11186	1.8
151.11218	0.9
160.19797	0.5
163.11227	0.7
164.08327	1.4
165.12752	1.0
167.13200	0.5
167.14394	7.4
168.04140	0.6
172.73831	0.5
183.10138	1.5
186.03230	3.4
187.93317	0.6
193.14474	0.5
193.15979	4.9
199.13280	2.2
201.11179	1.0
205.19473	0.9
207.17462	4.6
209.11699	1.0
215.12877	2.7
221.19025	0.7
225.11400	0.7
225.14832	0.6
231.17636	2.7
233.15350	1.2
241.08733	7.4
243.12083	0.5
247.17029	1.2
249.18590	37.0
250.18884	3.6
275.16504	28.5
276.16946	2.6
281.21280	8.7
282.21698	0.9
293.17584	100.0
294.17923	9.6
297.20682	0.7
302.95596	0.7
307.19162	6.1
307.22614	0.7
325.20215	90.3
325.23758	9.1
326.20602	8.1
326.24161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.1
58.00597	5.0
59.01355	3.7
65.39843	2.5
69.49348	9.6
80.47391	2.4
82.28938	2.5
83.05006	3.0
95.05031	4.2
97.06576	6.0
113.06071	5.6
115.07642	11.2
125.09704	6.1
127.07668	16.0
136.05341	2.4
151.11296	22.3
153.12827	17.8
157.23959	2.7
165.12791	2.9
169.12277	2.9
171.10223	5.8
171.13968	3.2
181.12311	5.8
183.13800	3.6
197.11821	41.4
199.13377	32.1
201.11240	3.6
209.11848	13.5
211.13388	3.4
215.12868	23.3
225.14923	6.1
227.12881	100.0
228.13228	6.9
229.14423	81.9
230.14839	3.5
237.14853	5.3
245.19095	3.4
263.20007	3.4
289.18076	8.8
297.20657	8.2
307.19119	34.1
325.20206	26.2
326.20532	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.97519	1.4
55.01876	2.7
57.03445	4.0
59.01376	2.1
62.23471	1.4
65.03964	5.3
65.53213	1.6
69.03465	11.2
71.05017	21.4
78.19905	1.5
80.82648	1.8
81.03460	1.7
83.05034	16.3
89.58020	1.9
93.03492	2.6
95.05034	3.0
97.06592	16.6
98.22694	3.2
98.84265	1.6
105.07114	3.3
106.04262	6.1
107.05096	1.4
109.06595	3.9
111.08214	1.7
121.06602	9.4
121.98765	1.6
123.08173	28.3
125.09732	11.4
127.07716	1.7
127.11266	2.3
135.08168	6.4
137.09686	2.4
141.09245	10.1
153.09238	3.0
164.08379	1.9
171.10283	31.8
183.10271	6.3
185.11850	18.8
197.11801	7.9
201.11319	17.8
209.11845	7.4
211.13362	4.2
223.13419	4.9
232.08054	1.7
235.13388	14.6
249.15112	4.7
258.10141	1.6
289.18213	7.0
307.19080	5.8
325.20209	100.0
326.20599	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
63.88216	0.4
69.93410	0.9
69.93745	0.5
79.95727	0.4
119.05036	0.4
121.23556	0.4
143.29144	0.4
149.09718	88.3
150.10048	4.3
163.11284	100.0
164.11603	5.3
170.00471	0.5
173.54269	0.3
176.26917	0.4
183.01204	13.4
184.01782	1.0
194.85284	0.4
197.02870	0.8
215.68263	0.4
245.44194	0.4
325.18283	26.9
325.21655	90.8
325.27768	2.3
326.18613	2.5
326.22018	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98822	0.8
67.96922	0.4
70.95108	0.5
71.01384	0.4
71.20548	0.4
140.02058	2.9
141.99994	0.7
159.01556	0.6
168.07640	0.6
182.09433	0.5
184.01013	100.0
185.01184	8.2
185.03059	1.2
259.01624	0.8
326.02243	2.8
342.25436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57497	33.1
59.01370	30.1
61.11847	29.8
69.52588	100.0
78.48307	31.9
108.81581	39.7
195.22792	35.4
249.85031	30.1
319.02707	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18615	0.4
55.01868	2.1
57.03433	0.9
59.01378	11.8
69.72148	0.9
69.72526	0.9
69.73270	0.5
71.01373	5.0
72.99302	0.7
73.02937	0.6
75.00871	36.4
85.02963	4.5
89.02450	3.5
90.39870	0.5
93.03454	2.0
94.49528	0.4
98.22623	0.6
101.02450	2.6
104.03520	0.5
107.05014	0.7
113.02436	1.7
114.05562	0.6
117.01974	0.7
119.03487	1.4
119.05025	1.6
121.06573	1.4
127.05162	0.6
129.01938	7.7
133.02875	0.5
134.03752	1.8
135.04524	20.1
136.04799	0.8
138.29576	0.4
147.03032	2.1
147.04526	25.0
148.04863	1.2
148.50438	0.5
151.61897	0.5
161.02438	0.6
163.04034	1.3
165.04031	100.0
165.05537	24.0
166.04379	2.1
166.05893	1.4
179.02008	0.8
179.03500	10.8
180.03850	0.6
191.01936	0.8
192.00591	0.8
209.03139	1.2
291.08688	0.6
300.52814	0.5
327.07098	2.7
327.10889	1.8
328.15048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19252	10.7
54.53985	12.1
55.66674	11.3
56.81948	11.5
56.94878	10.4
59.01370	83.5
59.68316	11.7
61.98561	16.5
61.98829	95.2
69.89044	25.1
71.01421	13.2
73.02917	13.2
85.02951	70.4
88.36880	10.9
89.02444	15.3
94.81487	11.2
101.02440	14.6
108.02161	13.0
113.02415	17.0
114.05637	15.4
119.05068	12.4
120.18209	10.5
123.04509	25.7
124.75687	14.7
127.86971	17.5
129.01910	19.5
147.04547	31.4
147.06625	40.2
149.02455	56.2
150.03218	52.6
159.02977	15.3
164.04767	24.7
164.07159	47.7
165.05563	100.0
165.06969	11.8
165.07515	13.9
166.11671	14.7
167.03488	13.5
191.01974	19.3
209.03017	17.0
327.08502	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93201	0.4
57.03448	0.4
59.01382	0.6
61.28773	0.4
69.21831	0.5
69.22109	2.2
70.01231	0.3
71.05033	0.4
79.95737	19.6
80.96526	2.8
83.05054	0.7
89.46367	0.4
95.94634	0.4
95.95234	10.9
96.96014	100.0
111.08165	1.0
117.07094	0.4
117.14633	0.4
123.04559	0.9
127.11347	0.4
128.61804	0.4
134.88885	0.4
135.08157	0.8
137.09703	0.5
149.99927	3.1
171.10268	3.4
185.13350	1.7
201.12856	0.7
203.14404	2.7
215.03947	0.4
229.12485	0.6
237.18648	1.0
247.13387	8.6
247.17169	0.9
248.13683	0.9
265.18100	2.3
273.18521	1.1
283.10303	0.5
283.19086	3.9
309.20718	0.8
327.09079	96.8
327.21738	14.7
328.09415	6.6
328.22165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.57533	0.9
54.91965	0.8
55.01855	1.0
57.03432	1.8
59.01380	45.5
61.48957	0.7
69.98070	1.8
71.01382	14.5
72.99306	1.0
73.02941	1.0
75.00876	1.7
75.47976	0.8
80.33230	0.7
82.42902	0.8
83.01378	0.9
85.02953	13.9
89.01929	1.2
89.02453	13.4
93.03467	6.7
95.01408	1.4
97.96169	0.9
101.02447	9.0
113.02461	5.7
114.05604	0.8
117.53075	0.7
119.03525	6.3
119.05048	3.1
121.06603	7.3
122.42514	1.0
129.01918	1.4
135.04533	1.3
139.01900	0.7
143.03378	1.0
147.04527	96.2
148.04892	4.1
149.02484	0.9
161.04507	0.9
163.04012	1.4
165.04144	7.5
165.05562	100.0
166.04680	0.7
166.05876	5.2
172.82509	0.9
174.75822	0.9
179.03456	1.0
179.25404	0.7
191.01981	2.1
202.33237	0.8
208.91072	0.8
209.03056	3.0
209.11807	0.9
227.13147	0.8
284.20355	0.9
296.89273	1.0
327.10785	6.6
327.14182	1.0
328.18466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1237
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
69.35366	1.8
79.48643	0.6
93.03500	2.5
109.02982	2.3
119.05145	0.9
121.02949	17.3
122.03334	0.7
129.03551	0.6
135.04553	1.1
145.02986	1.0
147.04521	4.2
149.06163	0.7
155.38499	0.7
158.03735	1.4
159.04558	0.8
163.03975	3.1
171.04396	0.6
174.03171	0.7
175.04001	20.3
176.04440	1.7
187.04080	0.8
190.06332	8.0
191.07187	1.0
195.08186	1.5
197.06105	1.1
197.11874	0.8
203.07175	1.7
205.06609	1.8
207.08240	0.7
209.06111	2.5
211.03969	0.6
211.07709	1.8
212.04883	0.9
220.05283	0.8
221.06108	1.9
222.05106	4.0
222.07213	1.3
222.36205	0.6
223.07622	5.3
223.23227	0.6
224.04927	0.9
225.05627	2.2
226.06406	0.6
227.07072	1.0
228.63423	0.6
233.06050	4.0
234.06775	1.3
235.03993	0.8
235.07698	1.7
236.04771	1.1
237.05627	1.6
238.06398	0.9
239.07138	6.1
240.04465	0.8
240.07745	1.1
241.05055	2.1
241.08723	2.1
241.51904	0.6
249.05637	3.1
250.06320	4.2
251.07124	9.2
252.07855	1.3
253.05208	0.9
253.08621	1.2
254.05934	2.2
255.19955	0.7
261.05545	6.3
262.06210	1.6
263.07220	1.6
264.04321	1.6
265.08612	0.8
266.05783	1.1
267.06601	8.9
268.07312	4.2
269.08170	18.3
270.08685	1.6
273.97119	0.6
277.05023	1.2
278.05984	1.1
278.09311	0.9
279.06613	19.4
280.07166	2.3
281.08160	1.0
282.08929	2.1
283.07004	0.7
283.09714	4.1
293.08170	1.3
294.08984	8.5
295.06281	0.9
295.09375	1.4
296.06848	1.9
296.09894	0.8
297.07687	82.3
298.08002	7.7
309.07700	0.9
309.11328	25.6
310.11682	2.3
311.09338	2.4
312.10001	50.9
313.10394	4.3
327.12357	100.0
327.21558	2.2
328.12698	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.2
59.01372	4.0
61.33445	1.5
69.56005	3.6
71.01376	2.7
73.02925	2.6
75.00858	2.7
84.84328	1.6
84.92925	1.3
85.02952	13.0
87.00874	7.0
89.02435	2.5
92.12643	1.5
98.22624	1.5
101.02438	6.6
101.06093	1.6
103.04015	7.7
142.97581	1.9
147.06633	100.0
148.06943	2.5
155.39957	1.4
165.04088	3.0
191.05667	3.2
228.97545	5.9
279.07007	1.8
288.02463	1.7
327.09268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03451	4.9
59.01371	2.4
62.15533	0.7
69.03452	2.3
69.38585	2.3
69.38992	1.1
71.01364	0.9
71.05003	0.8
73.02947	0.7
83.05020	0.8
85.02950	12.0
87.04503	2.7
97.02946	1.6
97.06610	3.4
98.22675	0.8
109.06647	0.8
116.92845	2.0
121.21462	0.6
125.09761	1.5
126.76260	0.6
127.11296	1.5
137.09729	2.6
171.10265	21.6
172.10632	1.3
177.12857	1.1
183.10156	0.9
183.13889	8.5
185.11990	0.9
195.13884	1.5
197.11870	0.8
198.56760	0.8
201.11333	2.8
209.11830	1.1
211.13383	10.0
221.11821	1.4
221.15462	3.6
229.14471	4.4
239.12677	0.8
239.16515	2.8
251.16475	1.3
265.18210	0.9
291.19617	3.4
309.20786	1.6
327.21750	100.0
328.22122	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.06894	0.7
58.00580	1.9
58.26007	0.5
59.57486	0.6
69.43082	2.0
97.06566	2.3
98.22649	1.2
115.07655	1.5
150.02298	0.6
153.12804	2.5
155.14417	3.6
167.14333	0.8
171.10272	1.1
183.13892	6.6
197.11806	2.0
199.13377	7.2
203.31345	0.5
211.13411	5.8
227.12935	5.8
229.14436	100.0
230.14760	5.7
291.19604	2.0
309.20728	8.4
310.20898	1.2
327.21756	10.3
328.21869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53096	0.8
57.03437	3.2
69.03445	2.1
69.61906	2.6
71.01376	0.9
73.62762	0.7
83.05051	1.0
85.02952	9.8
97.02946	1.7
97.06578	5.0
100.01421	0.7
125.09740	1.1
127.11263	1.8
137.09720	3.6
155.10825	0.9
165.12915	1.2
167.14369	1.1
171.10274	24.1
172.10680	1.3
177.12822	1.0
181.73886	0.8
183.13873	3.8
185.11891	1.3
209.11794	2.3
211.13420	19.1
212.13643	1.3
221.11807	2.9
229.14441	11.7
230.14677	0.8
239.12910	2.2
291.19641	3.0
309.20697	1.2
327.21759	100.0
328.22092	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.30528	0.7
57.03444	3.1
58.00607	1.2
59.01382	0.9
68.02348	0.9
69.03463	1.0
69.61863	2.7
69.62211	1.4
71.01395	0.7
84.19283	0.8
85.02947	8.9
86.91766	0.8
97.06586	7.8
103.03027	0.9
110.03817	1.0
125.09716	2.7
125.75523	0.8
127.11303	2.6
131.15569	0.7
137.09680	1.6
148.38396	0.9
155.10799	0.8
155.14362	1.1
160.32994	0.9
165.12877	1.4
167.10739	1.0
167.14427	1.6
171.10275	19.3
177.12851	2.3
178.28354	0.8
183.13895	7.1
185.11798	2.2
193.12355	3.7
197.11833	1.4
207.49203	0.8
209.11862	3.7
211.13394	36.6
212.13741	2.5
221.11804	6.7
229.14424	23.5
230.14664	1.5
239.12895	3.5
291.19687	5.1
309.21027	1.0
327.21765	100.0
328.22156	13.0
349.57465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03449	5.1
65.02318	0.7
65.58526	0.6
69.03468	4.6
69.30866	3.2
71.01380	0.8
71.38143	0.6
80.57395	0.7
83.05035	0.9
85.02951	16.9
95.05048	0.8
97.02982	1.0
97.06586	1.9
97.69300	0.7
109.70714	0.7
119.08606	0.8
125.09648	1.1
127.11300	1.8
137.09741	3.9
165.12964	0.8
166.51865	0.7
171.10271	32.1
172.10580	1.0
183.13908	5.9
185.11772	1.0
193.12341	1.2
201.11353	2.3
209.11871	1.0
211.13408	10.5
221.11806	1.4
223.16939	1.1
229.14442	5.4
239.12926	1.0
244.17363	0.7
251.16560	0.9
291.19724	2.4
309.20767	1.6
311.40405	0.7
327.21759	100.0
328.22095	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03216	0.5
57.03447	6.7
69.03440	0.5
69.15788	2.5
71.01385	0.7
71.05039	0.5
71.73153	0.5
79.24263	0.5
84.02148	0.9
85.02946	25.4
85.06592	0.8
87.04515	1.3
97.02950	0.6
97.06581	2.0
98.22621	0.7
113.06109	1.2
125.06072	0.6
169.12230	0.6
171.10268	1.8
183.13887	25.2
184.14240	1.7
195.13858	0.9
197.11897	0.8
207.17519	1.1
211.13385	3.6
223.17015	3.3
229.14360	0.6
233.15436	2.1
239.16489	1.2
251.16512	6.6
252.16873	0.6
265.18005	0.6
266.18100	0.5
269.17529	2.5
279.70303	0.6
291.19601	1.3
309.20639	0.9
327.21741	100.0
328.22113	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
67.73969	1.3
69.10789	1.6
69.60310	4.9
73.02963	4.0
86.80029	1.3
97.06593	3.4
98.82055	1.3
99.08147	2.1
112.05311	1.8
115.07662	1.8
127.07664	2.9
127.11307	2.5
129.09216	27.1
131.54596	1.5
141.09200	12.8
144.75418	1.5
155.10788	27.3
156.11153	2.2
165.12865	2.0
171.10281	23.9
185.11827	39.3
186.12166	2.6
192.62933	1.5
195.90239	1.5
197.11826	37.4
198.12250	2.6
209.11845	8.0
211.13411	3.1
217.11046	1.3
220.82620	1.5
245.97031	1.6
247.20667	2.9
257.13702	1.5
280.29272	1.4
291.19757	13.2
309.20660	35.7
310.21024	2.3
327.21777	100.0
328.22086	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24152	1.0
57.03436	1.3
67.93166	1.0
69.03510	1.4
69.71655	2.5
69.72047	2.1
71.38313	1.1
73.02927	2.1
80.02659	1.2
83.05036	5.5
85.02951	2.7
97.06573	1.6
99.08150	3.3
109.06538	1.6
111.08083	1.5
125.84742	1.2
127.07607	1.2
127.11288	1.1
129.09230	21.4
141.09207	7.4
155.10831	1.9
162.00813	1.2
163.11307	3.3
165.12860	2.3
171.10257	4.7
185.11827	31.7
186.12231	1.8
197.11826	33.2
198.12138	2.0
201.11305	1.7
209.11827	50.0
210.12082	2.5
211.13445	2.1
227.12872	5.1
229.14363	2.0
230.19429	1.5
291.19693	7.4
300.11758	1.3
309.20712	10.0
310.21164	2.0
327.21738	100.0
328.22083	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.95612	0.7
59.01373	0.7
61.52630	0.8
70.92010	0.9
71.02529	0.7
83.05025	1.5
93.71463	0.7
118.46423	0.7
141.12785	1.1
163.58508	0.8
169.15930	0.7
220.49312	0.8
242.90039	0.8
281.28467	1.1
309.28018	2.0
325.27271	1.1
327.29019	100.0
328.29404	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.45803	0.7
59.01380	100.0
60.01708	1.9
70.43787	1.1
70.44132	1.0
74.70232	0.8
79.13346	0.8
89.12492	0.8
91.05048	0.9
94.66969	0.8
132.11855	0.9
141.11592	0.8
149.21387	0.8
158.99623	0.8
179.49115	0.8
327.29037	94.9
328.29379	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92354	5.1
59.01379	100.0
61.98834	57.2
68.53934	5.3
71.01385	16.4
72.71347	5.6
72.99317	8.3
73.90453	5.6
78.27726	5.3
80.04305	5.0
85.02971	16.6
87.84450	5.8
89.02448	10.1
108.02171	16.3
113.02458	5.9
117.00486	10.2
122.03770	5.8
123.04532	33.4
124.41761	5.6
134.00131	5.8
142.00002	6.7
152.01193	6.8
159.01511	69.1
161.04588	6.8
167.03484	42.4
170.97906	26.8
184.01010	65.8
185.01144	16.5
185.02800	5.8
185.97293	6.5
186.00786	59.2
186.02487	6.2
186.98438	13.9
187.00981	96.5
197.04552	13.4
208.55109	5.9
212.83360	6.0
217.37004	5.9
274.99380	7.1
329.08987	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01380	46.6
59.38161	0.5
60.41507	0.5
61.89779	0.5
61.98834	9.5
70.62440	0.6
70.62770	0.6
71.01386	8.9
72.99304	1.0
73.02936	2.8
79.97495	0.5
83.01385	0.6
85.02960	3.4
85.46380	0.5
87.00869	0.9
88.04029	1.0
89.02443	1.9
93.03448	0.7
97.02927	1.0
99.00876	0.8
101.02460	5.8
108.02178	8.3
109.02982	1.3
113.02422	4.3
115.02534	1.8
117.00437	6.0
118.00609	0.7
119.03529	0.6
121.03027	2.5
122.03748	85.3
123.00862	0.6
123.04573	16.6
124.04868	0.9
125.00912	0.6
125.02496	0.6
126.98843	1.2
127.65648	0.5
129.99954	0.5
135.04510	0.8
137.02443	1.0
137.06082	1.7
138.03242	1.2
141.00500	0.7
142.99498	1.7
143.01993	2.7
144.97417	1.0
144.99921	0.9
147.04526	1.1
150.03215	0.8
150.05583	3.8
152.01147	5.2
153.05594	1.2
157.03568	1.1
159.01503	63.8
160.01617	5.7
161.04558	10.2
162.03311	0.6
165.05583	6.1
167.03493	18.3
167.71983	0.8
168.99928	2.1
169.01314	0.6
170.97876	3.9
171.01514	1.0
177.05571	2.2
182.02173	1.2
184.01039	1.9
185.01221	5.1
185.02794	0.9
186.00742	6.5
186.98544	15.2
187.00993	100.0
187.10864	0.7
187.98599	1.1
188.00815	9.0
197.04558	3.6
201.02548	12.9
202.02710	1.3
209.04750	1.0
217.00348	0.7
219.67621	0.6
232.98241	0.9
241.00522	0.9
260.01764	0.5
269.07278	1.0
269.09967	4.1
271.52356	0.5
274.99405	2.0
285.09821	2.2
287.01218	0.7
312.10889	1.2
328.96677	1.3
329.02075	2.4
329.08832	9.9
329.18237	1.0
329.21890	0.9
330.02206	0.9
330.08884	0.7
330.12201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
59.01350	2.6
69.49167	3.2
88.65311	0.6
116.07178	0.8
128.92444	0.7
151.00365	2.4
161.02458	18.4
171.10333	1.0
183.04491	2.4
183.13893	0.8
185.02444	4.6
187.00348	1.9
191.05655	1.6
199.04004	2.3
201.11331	0.7
203.03532	8.0
211.13315	1.0
213.14932	1.1
215.03464	1.3
216.03886	0.7
227.03520	20.3
228.03835	1.9
229.01404	2.3
240.16856	0.8
243.02951	7.2
255.02885	1.4
257.13950	1.5
261.13559	0.8
269.04553	1.2
271.02481	36.4
272.02930	3.3
279.74701	0.7
285.04114	2.3
299.01981	95.7
300.02350	8.2
313.03693	4.4
314.04333	67.2
315.04712	4.6
328.22015	2.4
329.06674	100.0
329.23193	10.3
330.07019	10.1
330.13989	2.0
340.22607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03426	0.9
59.01381	8.0
61.98826	1.4
69.77092	0.8
69.80799	1.0
69.81136	2.7
71.01379	4.2
72.99306	2.5
73.02930	1.9
75.00902	1.0
79.97704	0.8
85.02956	8.7
85.64636	0.7
87.00876	4.5
87.92524	1.4
88.04045	0.9
89.02448	1.4
93.03448	3.4
96.96001	0.8
98.21876	1.8
98.81137	0.8
101.02432	2.2
103.04026	1.8
108.02169	58.6
113.02430	0.9
121.02930	1.7
122.03727	12.0
123.00881	2.7
123.04523	31.1
126.98785	1.0
132.94664	1.5
133.01384	1.7
137.02391	4.0
138.03267	5.1
147.06630	11.4
152.01146	40.8
153.01788	1.8
153.05530	3.5
161.04570	1.4
167.03485	100.0
168.03827	3.4
182.02217	3.2
188.97157	1.8
191.01973	1.9
191.05576	2.5
197.04562	12.2
198.04692	0.9
228.97485	1.2
230.97136	0.8
230.98087	0.8
269.06293	1.2
329.08838	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.00252	0.5
59.01366	2.3
65.52346	0.4
70.24099	0.7
70.24418	0.6
71.01373	1.8
77.12236	0.4
82.02987	0.5
85.02927	0.9
89.53107	0.4
91.91979	0.4
108.02174	53.2
109.02505	1.8
117.38203	0.5
119.50101	0.5
123.04525	22.3
152.01152	35.1
153.01500	0.7
167.03490	100.0
168.03818	3.7
191.07080	0.4
209.04552	0.6
329.08759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.01795	1.2
55.01875	2.4
59.01379	93.3
59.63856	1.1
70.66013	2.0
71.01381	39.0
83.01392	2.3
85.02942	8.0
89.02443	35.1
89.22997	1.1
91.01921	1.4
95.01385	4.3
101.02444	22.0
107.01407	3.4
108.02176	6.7
109.02959	3.0
113.02437	15.7
119.03496	14.0
122.03739	1.5
123.00883	5.5
123.04514	13.8
137.02411	2.2
138.03249	6.2
150.03233	2.2
151.00372	4.2
151.03987	1.8
152.01175	8.4
153.05582	7.2
165.05560	2.4
166.02727	5.8
167.03488	68.4
168.03793	2.8
181.05057	11.1
182.02232	5.9
194.02173	2.9
197.04552	19.2
209.04538	43.9
210.04889	1.8
233.50056	1.4
239.05637	5.0
269.06650	7.0
293.12289	1.5
329.08755	100.0
330.09146	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.4
64.86501	0.5
69.06755	0.5
69.99953	1.3
71.01379	4.5
73.02942	1.8
74.02493	0.9
83.01391	0.5
83.05045	2.1
84.02222	0.6
85.02968	2.4
87.00874	0.6
96.96001	0.7
101.02450	3.6
102.05612	10.9
102.06250	0.8
105.01972	0.7
113.02470	1.7
121.02972	0.9
130.08780	1.7
149.02461	0.8
150.75938	0.6
161.04550	3.5
163.11328	1.3
165.12878	1.0
167.03526	0.7
172.86417	0.5
209.11816	31.4
227.12898	14.9
256.20352	0.6
269.10239	5.2
286.16647	0.8
329.10880	1.0
330.15823	0.9
330.20108	1.2
339.13635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66753	0.4
59.01379	100.0
60.01713	1.2
60.79437	0.4
71.41943	0.5
88.72774	0.5
96.96001	2.1
161.10046	1.5
165.12848	0.5
207.13817	0.7
209.11864	1.4
225.14955	75.4
226.15277	5.9
231.14374	0.4
269.07272	0.6
269.13934	13.9
270.14111	0.7
271.02280	0.7
287.14938	1.3
299.01932	1.5
324.56580	0.4
329.07138	2.1
329.16046	6.8
330.16199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.0
59.01382	4.1
69.61948	2.1
90.47281	0.5
99.08148	6.2
123.79335	0.6
129.09221	4.6
139.11269	0.9
155.10854	0.6
164.81343	0.6
169.12350	5.5
171.10263	2.4
173.10797	0.8
181.12381	3.7
183.13885	1.4
185.11853	1.1
185.67815	0.6
193.12366	1.1
197.11868	1.8
199.13391	13.4
200.13817	0.7
201.11290	0.9
211.13399	8.4
227.12704	0.8
229.14384	1.1
231.21353	0.9
275.38324	0.6
293.21030	2.4
311.22229	2.8
329.23315	100.0
330.23669	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96749	0.3
57.03439	1.1
57.56058	0.4
69.08920	2.2
71.05011	0.4
78.17478	0.3
83.05011	0.7
85.02984	0.5
97.06565	0.5
99.08162	5.5
107.48175	0.3
123.08156	0.4
125.09718	1.0
127.11286	2.2
129.09196	0.8
139.11292	0.7
155.10855	0.5
155.14407	1.3
161.02550	0.4
165.12790	0.6
167.14406	1.2
171.10262	2.8
181.12343	0.4
183.13884	5.2
185.11940	0.7
193.12352	1.4
194.18054	0.4
199.13391	0.8
201.15013	0.4
203.51137	0.3
209.11842	1.5
211.13385	32.2
212.13774	2.6
224.09486	0.4
229.14436	16.2
230.14822	1.4
237.68805	0.3
293.21201	1.5
311.22131	1.2
321.67639	0.3
329.23312	100.0
330.23657	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33594	0.5
58.00607	2.5
59.01377	5.6
59.51202	0.5
69.70650	1.7
72.70535	0.5
72.99287	0.5
99.08160	9.0
99.08746	0.9
106.52000	0.5
111.08142	0.5
127.07644	2.0
129.09221	8.8
130.09537	0.7
136.34099	0.5
155.10895	0.8
169.12357	5.9
181.12379	5.5
182.12640	0.6
183.13921	1.5
193.12358	1.5
197.11798	2.7
199.13391	26.0
200.13728	1.7
208.65916	0.5
211.13399	12.0
212.13664	0.8
227.12907	0.7
229.14429	1.0
240.95656	0.5
275.20016	0.6
293.21280	2.5
309.20575	0.7
311.22250	2.2
329.23328	100.0
330.23682	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35036	1.9
59.01385	8.4
61.98829	100.0
69.99340	1.5
71.01365	3.3
85.02930	2.5
97.48831	1.7
112.89587	2.0
145.00859	1.7
145.05145	2.3
148.22856	1.5
218.23524	1.7
242.14795	1.9
249.43073	1.5
255.11395	3.0
273.11865	1.6
292.07510	1.6
330.10620	1.9
331.04535	1.7
331.12088	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58338	0.5
59.01380	5.9
60.01721	0.6
60.40474	0.4
65.53408	0.4
69.03448	0.6
71.01366	1.3
71.42315	0.4
73.02955	0.4
80.02661	1.2
81.03449	0.9
83.05025	5.7
84.02150	2.1
84.04545	0.9
85.02937	0.8
89.02419	0.8
95.05018	1.0
96.95967	0.4
101.02447	1.1
102.05606	30.6
103.05965	0.5
104.03583	0.5
108.02205	0.5
109.02971	0.6
111.00833	0.6
119.03468	0.5
125.06079	0.7
125.09681	0.6
130.08768	1.0
135.08156	0.9
163.11287	4.5
165.12866	3.4
170.42064	0.4
181.12357	0.7
191.10831	1.0
197.11858	0.9
201.11264	0.4
209.11824	100.0
210.12164	6.2
218.13957	0.4
227.12881	46.0
227.37238	0.4
228.13222	2.9
268.15646	1.1
286.16620	2.9
295.11978	0.8
295.79352	0.4
330.09723	2.8
330.15720	0.9
330.19281	1.9
331.10092	0.5
331.13907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.67101	0.5
58.78290	0.6
59.01358	1.0
61.98833	0.7
68.73725	0.5
69.03451	2.3
69.89630	1.0
69.89994	0.9
71.01391	0.6
79.01894	1.5
81.03446	0.9
83.01397	1.2
84.68877	0.5
95.01397	0.9
97.02946	2.5
107.01387	1.3
107.02489	0.5
108.02197	1.4
109.02876	0.6
110.00085	0.6
123.00900	2.9
124.01660	14.8
125.02450	57.5
126.02785	1.6
128.03537	0.6
137.99548	1.0
149.99593	26.8
151.00331	1.7
153.01933	6.6
161.04475	0.6
167.03517	1.9
168.00641	58.2
168.04297	3.7
169.01370	4.8
169.05040	0.9
212.82246	0.5
313.05627	6.0
331.06693	100.0
332.06979	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23839	1.8
56.72899	1.8
59.01382	36.4
61.98830	18.6
71.01385	13.3
71.42153	1.9
73.01805	2.2
73.02944	5.2
78.98598	2.1
85.02958	8.6
87.00883	6.5
89.02422	3.6
95.10880	2.1
97.52824	1.8
101.02462	12.5
101.18140	1.9
108.02182	100.0
109.02997	20.0
110.02530	2.1
113.02455	6.5
113.43507	1.9
117.01957	3.2
119.03468	2.1
123.04516	3.4
124.01658	2.5
125.02452	17.2
134.94341	1.8
135.92142	1.9
135.95567	1.8
141.05582	2.0
143.03516	4.0
149.99593	5.3
151.00485	2.2
151.03996	5.4
153.01944	10.0
156.99976	2.7
161.04572	31.5
163.04042	1.9
167.03448	3.5
168.00661	14.7
168.04277	4.8
169.01425	9.9
191.05603	12.0
234.91824	1.9
271.08325	13.8
273.11804	1.9
275.28677	2.1
282.15195	2.2
285.05609	2.0
331.06586	29.1
331.10074	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.78128	0.3
58.96892	0.4
59.01378	100.0
60.01709	0.9
71.01379	6.5
71.44616	0.3
73.02937	2.8
75.32904	0.3
77.40917	0.4
83.01410	1.1
85.02947	3.4
89.02448	0.4
95.01405	0.5
99.00886	0.8
101.02443	4.6
106.24508	0.4
108.02119	0.4
108.54411	0.3
113.02454	3.1
127.11313	0.5
146.87733	0.4
159.03017	0.7
161.04547	3.9
203.88646	0.4
217.17732	0.3
251.77827	0.4
289.16592	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	3.7
58.25377	0.6
59.01379	4.4
69.31614	2.7
71.01365	1.1
85.02970	0.6
89.12724	0.6
97.74403	0.5
101.02436	1.3
108.02145	0.7
109.06564	1.0
164.98547	0.6
167.14423	0.9
169.15981	1.0
179.14330	0.9
185.15472	1.2
195.13896	2.5
197.15454	1.0
205.12328	0.8
211.13446	5.6
213.14963	28.1
214.15347	2.2
223.13431	5.5
235.13312	1.6
241.14456	100.0
242.14786	5.8
243.16060	2.7
243.50935	0.6
253.14461	6.1
259.13467	2.1
261.16766	0.6
271.15491	3.4
277.14456	4.3
278.14771	0.6
331.17752	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	4.0
59.01377	12.2
60.01688	0.8
61.01810	0.7
65.88426	0.6
70.52534	1.2
71.01376	9.1
72.65474	0.6
73.02934	2.6
83.01360	1.3
85.02969	4.7
87.00906	0.9
96.38054	0.6
96.92900	0.6
96.96006	1.5
101.02448	5.4
102.57423	0.6
108.02151	1.5
108.19025	0.6
109.06555	0.9
113.02442	4.4
137.63507	0.6
161.04512	4.2
167.14412	0.9
169.16023	1.0
179.14423	2.4
185.15483	1.7
195.13889	2.4
197.15428	1.5
205.12294	1.3
211.13394	7.4
213.14958	31.2
214.15327	1.4
223.13405	4.6
225.14903	1.3
226.15100	0.6
227.15567	2.1
235.13400	2.2
236.13652	1.3
241.14441	100.0
242.14769	6.4
243.16005	2.8
253.14435	8.7
259.13458	4.9
271.15475	3.2
277.14423	6.8
318.56625	0.7
331.12421	3.2
331.17648	5.6
338.17953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60569	0.5
56.89155	0.6
69.03455	5.9
69.41936	0.9
69.42320	1.3
71.01362	1.2
74.11264	0.5
74.78273	0.5
85.18238	0.6
93.03410	0.6
97.02950	28.2
97.06595	0.7
98.03288	1.0
111.04497	1.2
125.06065	1.3
139.85594	0.5
142.24348	0.5
178.02467	6.3
191.03304	3.5
203.10542	0.7
210.01460	2.0
219.06445	4.7
223.13127	0.8
233.11589	0.9
234.08694	1.7
237.88702	0.6
239.20074	0.6
261.11063	12.5
262.11847	100.0
263.12207	5.6
294.10880	3.9
313.17776	0.9
331.18930	17.6
332.19211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00310	0.3
65.81055	0.3
69.03455	6.4
70.65815	0.6
71.01337	0.9
93.03419	0.4
96.52486	0.3
97.02948	28.8
97.06555	0.6
98.03226	0.8
108.02123	0.4
111.04467	0.9
113.02373	0.4
125.06099	1.6
127.07600	0.7
134.73692	0.4
152.00813	0.8
165.12836	0.4
177.01631	0.4
178.02477	6.5
181.12354	0.4
183.13809	0.5
191.03236	2.9
203.10535	0.5
210.01474	2.3
219.06413	4.3
220.06511	0.3
223.13042	1.1
233.07971	0.9
233.11584	1.2
234.08640	1.1
247.58159	0.3
261.11072	10.7
262.11841	100.0
263.12198	7.1
294.10837	2.5
313.17859	1.1
331.18909	19.2
332.19226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49144	1.0
57.03451	9.9
59.01369	1.6
62.44747	1.0
69.03457	9.8
69.48493	2.4
71.01403	2.1
80.61014	0.9
81.03432	1.6
81.07114	1.1
83.05028	10.9
84.02161	1.1
84.05375	1.1
85.02938	1.2
86.63334	0.9
88.77655	1.2
95.05025	4.6
96.95906	0.9
97.02948	2.8
97.06582	3.9
99.00877	3.7
107.05007	1.4
108.02152	1.8
109.06570	2.7
111.04527	2.3
119.04914	1.1
119.08666	2.1
119.86803	0.9
121.02942	1.5
121.06580	3.7
122.03740	1.2
123.04531	2.1
123.08166	2.1
125.06091	2.1
133.06519	1.1
135.04532	1.2
135.08131	3.3
136.05276	1.2
137.06053	2.1
137.09756	5.2
138.06836	1.4
149.09691	3.4
150.06931	1.4
151.11305	2.7
163.11200	1.5
179.39307	0.9
185.12048	0.9
191.14427	1.2
198.05463	1.1
217.15965	3.7
231.17574	1.3
238.70976	0.9
239.16562	1.1
242.16306	1.1
257.17404	3.5
257.19455	2.1
259.20657	9.8
263.20084	2.6
269.18988	7.7
281.15317	1.3
283.16830	1.3
285.18442	2.0
287.16904	1.9
287.20139	37.4
288.01315	1.1
288.20490	3.1
303.19580	1.5
331.19025	100.0
332.19449	8.7
340.25073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	PGB3
Peak:m/z	Relative Intensity
57.03434	1.2
58.05761	0.4
58.74512	0.4
59.01356	0.8
61.98830	0.5
66.71818	0.4
69.73827	1.0
95.94376	0.5
97.06570	0.4
108.02181	0.7
111.08134	0.5
123.08150	1.6
149.09732	0.6
153.12810	0.5
164.05446	0.5
177.12863	7.7
189.12889	0.6
193.46680	0.5
207.10133	0.4
218.13091	0.4
219.10039	0.4
219.13843	1.8
225.73834	0.4
227.14487	0.5
229.15871	0.6
231.17520	1.7
241.15878	0.4
243.17456	4.7
244.17905	0.7
257.19138	7.0
259.20645	11.1
260.21066	0.8
269.19104	1.4
271.16953	0.5
287.20209	3.4
313.60123	0.5
331.19128	100.0
332.19437	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15281	1.0
58.43448	1.0
59.01389	1.0
59.98513	2.2
61.99869	1.0
69.03452	6.4
71.01408	2.4
72.63416	0.9
80.91672	2.6
82.54917	0.9
82.71599	0.8
84.02168	1.5
97.02949	75.6
98.03235	2.0
98.03782	1.7
99.04530	10.5
108.02174	2.3
109.02949	1.6
135.11795	5.1
138.40205	0.8
140.65921	0.8
151.07639	5.1
163.00314	0.9
163.01784	0.9
173.91423	0.8
174.23709	1.0
243.21140	2.4
259.20468	1.0
269.19116	1.6
287.20163	63.9
288.20544	6.4
330.76193	2.2
331.19138	100.0
332.19437	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07875	2.7
57.03450	3.3
59.01376	46.1
60.01712	6.7
61.01787	7.6
61.98829	100.0
66.66106	3.4
71.01383	9.7
72.00909	6.1
74.02464	11.0
82.96938	3.4
85.02976	3.7
88.04058	6.1
89.02442	4.4
93.03488	4.4
96.96032	9.1
101.02460	4.7
104.03542	55.0
107.01901	3.3
109.02980	15.8
113.02451	4.7
114.05602	14.3
114.13359	2.7
121.02946	23.0
122.03745	4.5
128.03554	10.7
129.65312	2.9
135.04549	4.5
135.45670	3.1
140.11980	2.9
147.04512	11.2
148.04228	3.0
165.05589	32.7
200.84622	2.9
209.11804	7.6
217.32904	3.5
227.12889	5.6
271.10992	4.9
303.12378	7.7
318.11172	5.2
332.16629	9.3
333.13248	44.1
333.19028	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
71.01375	0.4
72.00910	9.5
74.02477	14.4
83.05031	0.5
96.95995	0.5
98.22589	1.1
104.03542	100.0
105.03260	0.5
105.03888	1.3
109.04085	0.8
116.66955	0.4
127.05109	1.9
143.85417	0.3
163.11295	0.4
165.12889	0.4
209.11844	9.0
209.13423	0.3
210.12230	0.6
227.12910	7.8
228.13332	0.5
257.09308	0.8
265.47818	0.4
329.87173	0.4
332.12485	1.5
332.17075	1.1
333.15726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52554	61.0
59.01367	100.0
96.96011	77.4
99.84097	55.5
110.33328	56.1
170.68633	60.0
190.11351	59.8
215.18797	55.6
220.23189	60.2
315.92947	69.5
335.93552	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01374	13.8
61.98829	49.2
69.62550	4.9
71.01391	4.2
71.05019	9.9
73.02951	5.8
81.03451	2.2
82.56710	1.8
83.05009	2.1
85.02940	2.3
95.05002	10.0
111.04489	3.2
113.06076	31.4
121.02964	2.1
123.08167	7.6
135.04485	1.9
139.07631	5.4
150.69554	1.6
165.99983	2.0
169.10182	2.5
191.10562	2.3
199.11382	1.9
213.01379	1.6
217.12335	7.3
228.08984	2.7
229.09782	1.9
271.10867	10.3
289.11938	8.4
297.13422	100.0
298.13766	8.4
356.29214	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03428	0.5
59.01377	100.0
60.01719	1.1
63.21581	0.4
71.01371	4.4
73.02947	2.3
81.08842	0.5
83.01378	1.2
85.02965	2.5
96.31699	0.5
99.00884	0.6
101.02444	4.6
108.55809	0.5
113.02461	1.7
155.56285	0.5
161.04556	2.5
205.51396	0.5
248.04782	0.7
275.03625	0.6
276.04150	0.5
280.05344	0.5
291.18097	4.9
304.03818	1.2
319.06201	1.4
333.03937	0.8
343.84302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
69.15399	3.5
98.21811	1.1
109.02940	2.3
110.03722	4.0
125.02444	1.2
131.58272	0.6
137.02429	2.7
138.03244	8.0
142.02699	1.1
151.03963	1.0
165.01855	0.9
166.02731	5.2
179.03473	9.2
180.04247	2.3
190.43805	0.6
193.04996	3.6
198.01707	1.3
208.07191	0.6
235.09807	1.2
236.10529	1.2
255.50131	0.6
305.21194	4.8
333.20697	100.0
334.21033	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13240	0.9
58.99218	0.8
59.01375	14.2
61.98826	100.0
71.01383	2.0
89.02451	2.2
101.02448	1.1
101.82642	0.9
108.02189	1.9
109.02470	1.6
113.02434	1.6
116.71129	1.0
118.99265	1.0
150.94754	2.3
163.93793	1.0
176.98079	4.2
188.85599	1.2
189.98434	2.8
190.00198	1.3
190.97809	2.7
191.98155	3.8
192.95842	18.8
201.02551	2.9
202.02783	3.3
203.02464	2.1
256.71027	1.1
274.04913	1.9
274.08936	1.2
275.06323	3.7
335.13535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	35.9
61.98837	5.4
69.15009	14.4
69.15415	6.2
70.60713	3.1
71.01383	8.5
71.46277	3.0
73.02946	6.7
73.04070	4.6
78.45082	2.6
80.77804	2.6
83.01395	3.7
85.02963	3.5
87.00859	2.9
89.02454	3.9
89.73772	2.8
96.96007	5.6
101.02451	3.8
113.02419	3.7
130.08711	5.9
134.08272	2.9
164.07150	5.7
171.10260	4.1
172.10556	3.8
173.11804	27.0
184.35994	3.2
198.12213	6.2
249.13454	7.7
285.97162	3.4
334.17645	9.2
335.17123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66548	61.3
71.38377	14.4
104.29786	16.3
104.41224	17.0
112.28209	14.8
113.02502	15.3
116.97878	17.3
120.72396	14.8
126.52385	16.3
147.87431	18.1
150.57141	16.0
153.42638	18.8
233.02074	15.3
276.04184	64.1
319.05975	16.2
320.03183	71.5
335.05518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19454	5.6
66.03286	6.4
69.24156	6.3
69.77054	13.3
69.77416	13.5
72.02184	5.7
98.22553	12.2
126.07270	6.0
127.59128	5.9
165.12842	23.7
165.88860	5.5
167.91035	5.4
247.20691	17.2
291.19659	100.0
292.19885	12.0
318.61148	6.0
334.17172	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11562	7.6
69.61816	21.2
69.62164	11.6
89.42654	7.9
131.91127	8.5
183.68774	7.5
217.06647	9.1
223.57634	8.9
243.04382	14.0
245.06064	25.2
261.05496	11.5
262.06543	11.3
263.07318	13.9
274.06061	9.3
290.05960	16.8
291.06699	42.5
291.19580	58.6
334.20782	12.6
335.05661	100.0
357.31882	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56577	67.1
73.12689	78.5
103.01448	100.0
142.62042	70.3
245.08742	77.0
260.54395	75.2
300.71667	77.5
355.66104	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92220	0.2
68.99796	0.4
85.81065	0.3
135.13309	0.3
138.68823	0.3
153.51601	0.3
187.05484	0.5
189.07141	1.2
191.05043	0.4
192.05757	0.4
193.06538	0.6
204.05873	0.6
205.06511	1.5
206.07312	1.0
207.08177	1.7
208.05284	0.5
215.04993	5.4
216.05664	1.8
217.06569	12.8
218.07007	1.4
219.04651	1.2
219.08054	0.9
220.05231	1.3
221.05975	0.6
223.07651	1.0
232.05215	1.4
233.06056	9.1
234.06775	3.5
235.07593	7.3
236.07970	0.6
237.05487	0.3
243.04488	15.3
244.05080	2.8
245.06047	27.2
246.06622	4.8
247.03897	1.2
247.07693	0.6
248.04753	3.5
249.05283	0.5
251.07079	0.5
261.03308	0.3
261.05533	15.5
262.06302	13.3
263.07086	19.0
264.04797	0.3
264.07449	1.7
273.05563	6.1
274.06326	12.3
275.06647	1.1
276.04306	1.3
277.04980	0.6
289.05081	4.2
290.05826	17.3
291.06604	59.7
292.06958	5.7
305.04431	0.5
306.05182	0.4
334.20776	0.3
335.05582	100.0
336.05923	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14596	6.2
53.62724	6.7
59.01376	100.0
61.98825	84.3
71.01385	40.8
71.04737	6.7
78.52074	5.0
85.02941	20.9
87.00920	6.6
89.02443	12.2
101.02448	13.9
111.08133	12.8
112.06790	6.5
113.02444	12.3
119.59452	7.3
134.60849	6.3
155.07158	16.6
161.04565	8.1
173.08165	6.7
180.95683	5.8
192.95845	10.7
250.22192	6.6
299.07556	10.6
335.09872	6.4
335.13489	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1861
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
50.11740	0.6
56.08494	0.5
69.07949	3.7
85.54349	0.6
92.02647	0.7
93.22804	0.6
97.74883	0.6
98.21910	1.7
106.04237	4.7
109.90900	0.7
118.97785	0.7
119.05007	1.5
121.02950	2.3
188.16168	0.6
245.19070	10.7
245.21483	0.9
247.20648	12.0
248.20946	1.2
273.18591	73.9
274.18997	7.0
275.20218	0.7
291.19675	19.0
292.20026	1.9
335.18643	100.0
336.18982	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92957	5.8
59.01379	59.4
72.97569	5.8
82.60392	6.1
87.94250	6.5
88.51810	6.7
99.00636	17.8
113.85445	6.0
117.50478	6.7
140.98592	6.2
146.25322	6.3
153.80415	6.5
198.49707	6.0
253.21712	100.0
254.22166	8.1
299.25931	13.9
335.21985	97.0
336.22418	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
53.36957	2.6
59.01380	100.0
73.06506	2.3
75.05583	2.3
94.57205	2.2
169.80972	2.5
216.63210	2.2
219.82774	2.5
231.21028	2.3
256.83527	2.3
275.20114	40.4
276.20599	3.8
293.21124	12.5
302.88217	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Sphaeropsidin F
Peak:m/z	Relative Intensity
59.01375	2.3
61.33405	1.6
61.98842	2.0
63.52668	1.4
68.43375	1.6
69.86497	4.8
69.86855	2.0
71.05009	4.6
81.03456	2.6
83.34252	1.5
97.38203	1.6
98.21887	2.0
109.06592	7.5
111.04523	6.5
145.06580	2.1
176.20160	2.0
195.13907	3.9
223.17056	5.1
263.16556	2.2
315.19330	1.8
317.21201	100.0
318.21594	11.8
335.05643	7.8
335.22635	11.4
336.25589	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17840	10.5
57.17924	12.5
72.22271	12.2
75.92699	12.5
105.08462	14.9
112.22112	12.4
145.04073	13.8
146.12068	12.7
158.08594	15.3
197.65013	13.6
223.13612	14.1
230.25394	13.5
246.35207	12.1
293.21191	100.0
314.29297	12.9
336.18100	40.0
336.22272	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.4
61.98816	0.4
71.01382	1.5
76.69787	0.3
79.95734	1.6
80.96529	0.8
85.02966	0.8
89.02444	1.4
93.03474	1.2
96.96011	100.0
99.00852	0.3
101.02438	1.2
102.05598	0.3
102.48737	0.3
111.00868	2.0
111.04560	0.4
113.02390	0.6
116.92862	1.1
119.05040	3.2
120.05367	0.3
133.03008	0.4
135.04509	1.7
146.04623	0.4
157.08739	0.4
161.04465	0.3
163.04025	4.7
173.00981	0.5
173.04544	3.8
179.03528	1.3
191.05603	1.5
224.16132	0.3
227.05788	0.8
228.06523	0.9
243.28009	0.3
255.05026	0.3
256.06027	0.9
257.06781	9.2
258.07068	0.5
277.12939	0.4
331.16431	0.3
337.02478	29.4
337.09613	1.3
337.14951	2.4
337.18530	0.5
338.02841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64531	1.7
59.01382	20.7
61.98823	6.0
71.01391	4.0
85.02966	3.1
90.65755	1.7
93.03456	4.7
96.96054	2.0
101.02527	1.8
101.34518	1.8
103.50546	1.7
106.70432	1.8
109.21939	1.8
111.04476	3.3
111.82812	1.9
113.02474	1.9
119.05035	46.4
120.05441	2.2
135.04503	2.3
136.93997	11.1
137.02451	2.4
139.04012	9.1
144.04544	8.6
152.91728	4.2
152.94572	1.8
155.03529	4.0
163.04010	100.0
164.04285	4.8
173.04565	4.2
174.08014	9.9
175.08653	3.3
178.95122	12.4
178.97839	4.2
191.05620	16.0
192.95926	4.9
194.92798	7.2
194.95560	11.4
277.06149	2.5
294.92950	2.4
336.93948	10.7
337.09662	3.1
337.14252	8.2
337.94119	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0716
Annotation	Antibiotic WS 5995B
Peak:m/z	Relative Intensity
56.13215	0.4
58.02952	1.7
58.06359	0.3
59.01364	0.7
64.91166	0.3
68.77299	0.3
69.35082	0.4
70.55203	0.3
71.01357	0.4
72.16090	0.5
84.99744	0.4
89.66688	0.4
95.00528	0.4
96.96027	0.5
100.70081	0.4
120.37601	0.4
146.08234	3.9
161.02411	0.5
175.03947	0.6
220.05171	0.5
221.06110	3.5
222.06821	3.4
230.16705	0.4
232.05240	3.6
232.13307	0.5
233.06023	2.7
235.04036	1.5
248.04662	1.0
248.12874	2.4
249.05562	9.4
250.06268	5.4
250.14590	1.1
253.05237	0.5
260.04779	2.8
261.05536	67.5
262.05881	7.0
263.03491	1.6
264.04214	0.8
265.05124	1.9
266.05844	2.7
266.13885	6.4
273.69574	0.4
275.07178	0.9
276.07745	0.6
277.05042	49.1
278.05798	63.5
279.06207	5.6
281.04526	7.1
282.05295	1.3
292.07315	1.0
293.04593	4.7
293.08124	29.9
294.05075	1.0
294.08517	3.0
301.20142	1.4
305.04559	1.2
305.48706	0.5
307.06238	0.5
321.03964	1.2
322.04807	32.5
323.05038	2.9
337.07144	100.0
338.07520	10.7
338.11642	0.3
338.15964	0.9
338.19754	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0716
Annotation	Castillene D
Peak:m/z	Relative Intensity
59.01377	1.8
71.43646	1.6
91.01891	2.7
96.96005	2.5
115.75526	1.4
121.03011	1.3
158.03720	3.5
172.27698	1.5
186.03249	1.6
201.05589	6.4
202.77867	1.4
206.07109	2.1
209.06076	3.0
221.06007	2.0
222.06792	3.0
223.07614	2.8
232.05321	2.0
233.06010	5.8
235.03964	1.8
235.07677	3.1
241.16951	1.4
248.04732	3.9
249.05571	10.6
250.06371	11.8
251.07092	17.4
262.06326	3.4
263.07141	4.4
276.04257	1.7
277.05060	7.7
278.05789	10.2
279.06573	25.6
280.07306	3.2
291.03073	2.9
291.06561	3.9
293.07822	1.6
306.05341	3.0
307.06104	15.5
308.06836	9.5
309.07645	7.1
321.07468	4.5
322.08450	2.9
325.51947	1.7
335.05609	16.4
336.06125	2.3
337.07172	100.0
337.10706	6.9
337.19821	2.9
338.07547	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0718
Annotation	Castillene D
Peak:m/z	Relative Intensity
57.28194	0.8
59.01359	2.8
60.69932	0.8
66.14600	0.8
67.94339	0.8
68.99815	100.0
69.56510	3.8
70.00143	1.5
71.01375	2.3
85.02923	1.5
89.03972	8.0
91.01904	2.2
91.05579	0.8
93.03459	4.6
95.05018	1.2
97.54627	1.0
101.03975	1.1
103.42483	0.8
105.03425	1.0
107.05030	11.1
109.02968	1.1
112.81077	0.8
117.03466	33.6
119.05025	26.6
119.05904	1.1
121.02942	4.4
121.06656	1.0
123.04524	3.3
130.04247	1.7
130.08707	1.6
131.04968	1.6
132.02130	3.9
133.02971	3.9
134.03741	27.6
135.04539	16.6
145.02953	64.6
146.03738	4.1
147.04538	8.0
149.02460	1.3
149.06145	1.1
158.03712	3.4
159.04486	2.4
161.02432	10.6
162.02881	0.9
163.04005	69.8
164.04350	3.2
171.10342	1.3
173.02409	5.5
174.03165	5.0
175.04016	9.5
177.34283	1.0
183.13866	1.2
185.11826	0.9
187.03983	2.9
193.23314	0.8
201.02046	1.0
202.00912	1.8
202.02713	28.8
203.03094	2.1
209.06041	1.6
221.06151	1.0
222.06888	1.0
223.07626	1.5
233.06108	1.0
235.07584	1.7
237.05542	1.7
239.07127	1.6
249.05516	1.4
250.06383	2.9
251.07056	4.9
261.05460	2.6
263.07120	2.1
265.05020	1.3
267.06659	1.3
277.05203	1.2
278.05783	1.1
279.06577	8.2
280.07355	4.0
281.08127	4.4
289.05212	1.4
291.06680	1.9
292.07156	1.1
293.04599	0.9
293.08173	1.6
293.17496	1.0
299.83914	0.9
307.06174	6.6
308.06860	6.4
309.07666	14.3
310.07730	1.2
322.08313	1.7
335.05576	1.4
337.07159	73.6
337.20190	1.4
338.07587	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01383	7.9
71.01391	1.3
72.21227	0.5
73.02946	0.8
83.05043	1.0
85.02942	2.1
89.02455	0.6
93.03459	6.6
100.69221	0.6
109.02935	0.6
111.00901	1.6
111.04521	2.9
119.05034	55.6
120.05346	2.1
124.07703	1.3
127.04004	0.9
131.44452	0.5
135.04521	0.9
136.07701	1.9
138.43480	0.6
155.03519	2.3
156.03838	0.6
163.04015	100.0
164.04350	3.7
168.06683	1.5
173.04552	13.1
174.04939	0.6
179.03471	0.9
181.79503	0.6
191.05632	22.5
204.61447	0.6
248.38794	0.6
277.12015	1.4
337.09372	6.1
337.14966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.89985	0.5
54.48045	0.4
57.03440	0.5
59.01377	9.9
60.99315	0.7
67.01894	4.3
69.03432	0.8
71.01385	2.7
81.03463	0.8
83.05040	0.8
85.02948	1.7
87.00877	1.5
87.82444	0.5
93.03461	26.5
109.02937	1.1
111.00864	0.6
111.04522	4.7
113.02434	0.8
119.05027	18.5
120.05373	0.8
123.69424	0.4
127.04053	0.6
137.02444	4.1
145.02930	0.5
155.03514	3.8
163.04005	15.4
164.04430	0.8
166.75227	0.5
173.04549	100.0
174.04880	3.5
191.05608	15.2
192.05821	0.7
303.40918	0.5
337.09311	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01380	2.7
59.81871	0.5
60.99300	0.6
67.01891	4.9
69.03462	1.1
69.93360	1.7
71.01389	3.6
82.17975	0.5
83.05003	0.6
85.02946	1.0
88.37192	0.5
90.37064	0.5
93.03456	29.1
94.03794	1.3
109.02933	1.0
111.00864	1.4
111.04517	5.4
119.05030	15.7
119.11807	0.5
120.05326	0.6
128.13983	0.6
137.02464	5.3
139.17603	0.5
149.13280	0.5
155.03494	4.4
163.04012	19.2
166.20650	0.6
173.04544	100.0
174.04936	3.6
191.05605	1.2
337.09326	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.67126	0.3
56.08811	0.2
57.03429	0.5
59.01382	3.5
60.99300	0.3
61.98826	0.4
67.01882	0.8
69.03455	0.5
69.25550	0.3
71.01374	1.6
73.02948	0.4
75.00888	1.6
79.95709	0.3
81.03453	0.5
82.48774	0.3
83.05017	0.4
85.02947	8.0
87.00866	2.4
89.02451	0.8
93.03461	4.1
96.96011	4.2
97.02934	0.3
97.64397	0.2
99.00877	0.3
99.04559	0.3
101.02441	1.0
101.06071	0.4
109.02940	0.6
111.00891	0.7
111.04518	1.4
113.02431	0.5
119.05031	1.6
125.02651	0.2
127.04048	1.7
130.08736	0.7
145.02956	0.7
147.06638	3.4
148.15569	0.3
163.04042	2.4
171.02965	0.5
173.04524	3.5
174.12160	0.3
183.99254	0.4
191.05611	100.0
192.05952	3.6
237.06161	0.7
337.09470	4.4
337.14969	3.4
338.09799	0.5
338.15601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.108
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
59.01363	2.8
61.98819	1.5
71.01390	1.1
93.03446	1.2
96.96009	82.1
130.08694	1.7
145.02866	1.7
161.02432	1.1
161.43730	1.0
162.03154	1.7
173.04510	1.7
177.05554	3.1
191.05759	1.2
195.08118	1.7
206.07259	1.8
207.08080	5.0
219.08238	1.6
222.06720	1.3
223.07576	3.7
234.06741	4.6
235.04016	2.2
235.07668	12.8
237.05492	3.3
249.05627	1.5
250.06250	2.4
251.07098	12.0
257.13876	1.8
261.05502	2.3
262.06302	2.2
263.07104	7.1
264.07407	1.2
266.09473	5.8
278.05722	4.2
279.06616	89.8
280.06848	7.0
286.10883	1.2
289.04639	1.6
291.06625	39.9
292.07263	8.9
293.07956	3.1
294.08990	11.0
305.08066	5.0
306.08954	28.6
307.06149	100.0
307.09476	9.4
308.06540	8.5
308.09622	2.1
315.70859	1.3
321.07675	8.4
322.08429	64.4
323.08707	5.1
327.25232	1.2
337.10580	77.5
338.11121	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01692	1.0
69.38734	2.9
71.01389	1.2
79.95755	1.1
85.02961	1.3
85.76761	0.8
93.03474	2.2
96.95972	2.9
101.02477	0.7
111.00885	3.9
117.54742	0.7
119.05014	1.8
135.04504	0.8
149.81747	0.6
157.20061	0.6
163.04062	1.9
163.10164	0.6
173.00981	1.8
173.04549	9.2
179.03534	1.3
191.05696	1.2
198.05431	0.6
216.34186	0.6
337.09540	2.9
347.67007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02409	5.4
59.01374	9.0
69.17898	32.7
69.73332	6.0
72.13662	6.1
75.18901	5.7
98.22596	15.3
111.08161	24.9
197.11842	100.0
211.13399	12.1
232.98466	7.0
263.20343	6.1
287.16382	7.0
291.19608	19.3
305.17499	13.6
309.20642	51.9
319.15717	13.1
319.22659	32.3
337.20288	7.0
337.23822	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99653	3.3
59.01369	4.7
59.80902	3.5
70.51660	5.4
74.96339	3.6
76.45765	3.3
78.42532	4.1
106.85705	3.2
111.08146	27.9
118.12381	3.3
123.35750	3.4
138.89110	3.4
153.73450	3.7
159.31610	3.7
169.12332	7.4
186.33376	4.1
197.11823	100.0
198.12125	5.0
211.13336	17.3
287.16443	4.6
291.19632	29.6
309.20703	30.8
310.21182	3.8
337.20193	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2018
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
51.05102	0.5
51.41204	0.5
57.03446	3.0
58.00575	1.9
59.01368	3.1
59.01841	0.5
60.99300	2.1
69.70327	1.5
73.02947	8.4
75.00871	4.2
81.03451	4.0
83.05014	1.1
93.03438	0.7
95.05020	0.9
104.78648	0.5
107.88780	0.5
108.02156	0.5
109.06559	1.0
111.04543	1.1
119.08631	0.8
120.66962	0.5
121.06542	0.5
123.04510	1.9
135.08170	0.8
137.70723	0.5
148.84657	0.5
163.11244	1.3
177.12846	5.4
179.14412	1.2
187.14822	0.7
203.14403	0.8
217.16002	1.6
231.13898	1.7
232.05324	0.5
239.18002	1.8
241.15880	1.2
243.17581	1.5
245.19211	1.1
251.19223	0.5
257.16238	1.0
257.19077	7.6
259.16992	8.5
260.17407	1.0
261.18542	3.8
273.18594	3.4
275.20163	2.5
279.06482	0.7
291.19751	0.7
296.38367	0.7
301.18018	8.5
302.18384	0.7
307.06003	1.0
309.07629	0.8
309.11246	0.6
319.15472	1.2
319.19073	15.6
320.19580	1.6
322.04749	0.7
337.07089	2.3
337.20206	100.0
338.20496	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	3beta,8alpha-Dihydroxy-13E-labden-15-oic acid
Peak:m/z	Relative Intensity
50.48027	0.7
52.15705	0.6
59.01403	1.3
62.72679	0.6
65.81615	0.6
69.52779	2.4
71.05088	0.6
96.96048	0.7
99.44930	0.7
104.77092	0.6
109.06580	0.8
111.08240	0.7
121.02965	1.3
124.09854	0.6
134.41417	0.7
137.09758	1.2
165.09247	1.2
179.10884	1.3
179.14417	2.0
186.39484	0.6
197.11862	1.8
221.15459	0.9
238.87965	0.7
259.63000	0.6
269.20926	0.6
275.23813	3.2
280.93076	0.7
291.19586	2.3
301.21768	1.4
305.17706	0.8
309.20740	4.4
319.22763	100.0
320.23105	9.5
337.20166	2.5
337.23819	34.1
338.24252	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2382
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
51.72100	1.5
59.01371	1.9
70.59492	1.5
70.98748	2.1
85.16050	1.5
111.08154	32.5
112.08521	2.2
127.07645	2.4
167.50426	1.5
186.79129	1.6
190.12367	1.8
197.15437	6.2
207.14023	2.7
208.45401	1.4
209.15523	2.5
225.14943	100.0
226.15335	5.4
227.16467	2.7
239.16562	11.1
255.16061	1.7
256.73578	1.8
275.19864	5.1
291.23410	8.7
293.21231	2.1
301.21576	1.6
319.22739	21.3
329.89575	1.6
337.19803	2.2
337.23834	50.5
338.24142	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
53.08106	2.6
59.01385	4.8
63.28075	2.3
67.09438	3.0
69.68230	9.6
88.60381	2.8
98.21823	4.2
111.08162	32.9
114.70141	2.9
127.07554	3.1
197.15508	5.0
225.14944	100.0
226.15282	4.8
239.16530	11.6
291.23233	7.3
301.21756	3.3
312.35901	3.0
319.22736	28.0
337.23889	56.1
338.24136	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
51.16726	0.5
59.01371	1.6
61.98800	0.7
63.88556	0.5
66.47089	0.5
69.57227	0.6
70.46761	0.8
85.06586	1.3
113.67245	0.5
127.11221	0.7
165.12848	0.6
171.10280	10.9
172.10628	1.1
205.15433	0.6
223.17122	0.6
226.09917	0.6
251.16510	14.8
252.16919	1.1
267.96170	0.5
319.22763	9.6
320.23212	1.2
335.22446	0.8
337.23831	100.0
338.24161	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2386
Annotation	3beta,8alpha-Dihydroxy-13E-labden-15-oic acid
Peak:m/z	Relative Intensity
54.62849	0.5
59.01373	1.9
61.81544	0.4
68.12723	0.5
69.20573	2.8
84.40962	0.5
132.83099	0.5
135.08257	0.7
139.07597	0.6
151.07625	0.8
165.09245	0.8
179.10825	0.6
179.14626	0.6
214.16521	0.5
219.46513	0.5
232.15709	0.5
249.14954	0.6
255.16216	0.5
275.23700	2.7
287.16571	0.8
301.21765	0.9
305.17548	0.6
319.22757	100.0
320.23108	11.1
337.20166	1.8
337.23828	22.0
338.24133	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39935	0.4
57.03441	3.3
59.01374	1.5
69.60263	1.4
70.11023	0.3
71.01353	0.4
73.02935	1.4
85.02945	16.9
86.03278	0.6
88.04042	0.6
96.95998	1.2
98.21844	0.4
101.02439	6.8
101.06076	1.5
103.04008	10.4
129.01920	0.4
133.02953	0.6
147.06628	100.0
148.06960	3.5
164.07133	0.7
171.10278	1.1
230.17085	0.3
338.12598	1.2
339.11298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82710	0.4
57.03450	2.2
59.01374	1.5
61.98816	1.7
70.27354	0.6
70.27682	0.6
70.93335	0.4
71.01370	0.6
73.02908	0.5
84.27639	0.3
85.02947	13.0
86.03300	0.4
88.04037	1.2
92.56640	0.3
93.28814	0.4
96.96000	0.6
101.02445	5.2
101.06062	1.7
103.04012	8.7
103.04708	0.5
114.02013	0.7
115.00352	0.7
119.22475	0.4
130.08754	0.5
132.03030	0.4
132.37886	0.4
136.74178	0.4
143.04625	0.6
147.06631	100.0
148.06932	2.6
164.07144	0.4
165.29005	0.4
166.12726	0.4
177.03407	1.0
224.12935	1.5
249.99728	0.3
250.14450	0.5
262.33908	0.3
294.13589	0.4
303.13977	0.4
324.09860	0.4
338.07571	0.4
338.12231	0.9
339.15424	0.7
339.18799	0.5
343.35260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1609
Annotation	Aucherine
Peak:m/z	Relative Intensity
58.02957	1.7
59.01368	1.6
61.98814	1.3
69.40701	1.4
69.41087	0.9
75.58322	0.5
81.03449	0.8
85.02957	0.9
88.04025	0.9
95.05022	1.8
96.96018	1.0
100.93363	0.7
109.06604	0.9
114.09251	8.9
115.92085	1.5
116.07175	100.0
117.07497	2.7
124.38757	0.5
130.75232	0.5
135.08171	1.4
137.09782	0.5
140.07191	2.7
143.85382	0.6
158.08231	4.0
165.12744	0.5
171.10271	1.2
177.09200	1.7
178.12415	0.7
181.08659	1.1
197.70341	0.5
201.47063	0.6
232.16951	0.9
240.12373	0.8
276.16010	2.6
279.70663	0.5
294.17105	12.0
294.20160	1.0
295.17630	1.2
320.14975	4.6
338.16101	40.1
339.16281	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92372	0.2
58.02969	2.6
59.01384	0.4
68.05034	0.2
69.21233	1.1
78.76811	0.2
82.06628	0.2
95.05041	0.3
96.96004	1.2
97.06584	0.5
105.15849	0.2
128.10815	12.6
128.73036	0.2
129.11125	0.4
130.08731	100.0
131.09081	2.6
147.08162	0.4
158.30925	0.2
171.10280	0.2
172.09776	3.7
173.10011	0.2
190.80609	0.2
292.11322	0.2
310.24435	0.2
329.74283	0.2
338.19708	48.5
339.20038	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
58.60595	0.9
59.01384	8.3
65.00340	0.9
65.03942	1.4
67.01892	1.2
69.18096	5.0
71.01382	1.1
71.05028	1.2
73.02926	1.1
91.01897	48.4
92.02210	1.3
95.04984	1.1
96.71059	0.9
97.06570	1.2
98.21865	1.9
108.02171	2.6
109.02956	16.1
114.12751	0.9
121.02962	2.1
130.08812	2.1
133.02979	2.1
135.00891	100.0
136.01216	2.9
137.02443	4.7
137.06097	1.1
149.02390	1.5
153.01939	63.8
153.09300	0.9
154.02289	2.1
157.08717	3.7
159.04463	1.0
160.05309	1.8
161.02463	2.1
175.64281	0.9
185.11913	2.2
189.02054	1.1
201.11221	1.3
209.11838	1.7
223.13391	3.3
245.76022	1.2
297.06146	2.0
301.16656	1.1
303.16000	2.0
309.07730	2.5
321.16998	3.5
324.10132	1.4
339.07205	29.9
339.12030	1.5
339.18387	3.3
340.07529	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0871
Annotation	Paxanthone
Peak:m/z	Relative Intensity
57.01837	0.6
59.01393	0.8
69.03457	1.2
71.01376	1.1
81.03496	0.7
88.98803	0.7
97.02962	2.7
97.06570	0.6
99.04525	1.1
107.05017	0.8
108.41325	0.6
121.02961	1.9
125.09698	1.6
131.05057	1.5
131.17700	0.6
137.02444	21.1
139.04004	4.7
143.05048	2.3
148.01712	3.8
149.02464	4.6
151.07602	0.6
158.03835	0.7
159.04514	69.7
160.05296	88.2
161.05629	4.3
165.01935	1.1
167.07184	1.5
167.10822	1.3
171.10281	2.4
174.03325	0.7
175.03989	1.3
204.04269	20.1
205.04651	1.4
217.05049	1.3
238.78772	0.6
249.11168	1.1
266.75613	0.6
276.46100	0.6
277.18069	1.0
303.16064	0.6
321.16907	1.2
339.08713	100.0
340.09082	10.9
351.11935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98684	0.7
59.01377	96.4
60.01709	1.7
61.98824	7.3
69.75787	2.3
71.01376	4.3
72.99301	1.0
73.02938	5.2
81.03443	1.0
83.01379	1.2
83.09747	0.8
85.02954	2.1
89.03960	1.5
98.21893	0.9
99.00912	1.6
101.02441	6.5
105.03462	3.4
110.34321	0.8
113.02454	2.4
117.84308	0.7
119.05019	1.1
133.02977	7.2
134.03717	2.6
135.87158	0.9
145.01431	2.6
148.01546	0.9
149.02438	1.4
161.04565	4.9
163.02516	0.9
163.03954	1.8
164.04373	1.0
176.01167	2.1
177.01926	100.0
178.02274	6.6
193.05083	2.5
279.14508	8.7
339.03473	1.6
339.07224	11.7
339.11160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06736	0.5
57.03426	0.6
59.01379	100.0
62.22955	0.5
62.63002	0.6
69.29013	2.7
71.01390	2.0
81.72122	0.6
83.05052	0.5
88.04052	1.2
90.25677	0.5
96.64918	0.6
109.06594	0.5
115.00394	2.3
124.46790	0.5
130.08749	4.6
143.13226	0.6
159.04515	0.7
221.06250	0.6
225.15034	1.6
234.54456	0.6
254.08308	2.0
296.18793	1.7
297.17197	1.3
309.07651	1.2
321.17206	0.6
339.08817	1.2
339.18387	1.6
340.11765	0.8
340.17694	8.1
340.21466	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93528	0.5
59.01382	2.9
64.46476	0.6
69.32849	1.0
69.33240	0.9
70.19370	0.4
83.05048	0.8
98.21769	0.5
106.04215	0.8
125.06056	1.3
125.09731	0.7
166.37549	0.4
169.12358	0.6
171.10271	0.9
173.55612	0.5
177.12823	3.3
183.01166	0.6
191.66167	0.5
195.13898	100.0
196.14244	5.5
203.10776	0.5
221.11845	0.9
237.93227	0.5
239.12883	61.7
240.13219	4.4
251.20277	0.8
263.20270	0.7
277.17966	0.8
289.17911	0.6
295.19131	1.9
307.19391	0.9
321.20630	1.0
339.17868	1.5
339.21735	3.1
360.19910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01377	4.8
65.09554	1.4
65.78966	1.7
69.46118	6.1
79.14218	1.7
81.58481	1.6
86.87161	1.4
98.22614	3.3
177.12782	4.9
183.01176	4.9
195.13893	100.0
196.14201	6.5
200.34360	1.7
239.12868	60.3
240.13275	4.3
241.14557	1.9
295.19077	3.5
307.19147	3.4
321.20352	2.5
339.16379	6.1
339.21713	6.2
339.25262	2.1
348.52487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26849	1.0
59.01366	1.1
60.64473	0.8
71.41867	1.0
71.94862	1.0
72.99302	3.2
74.12242	1.1
81.03488	1.5
96.91240	1.2
97.06578	4.5
106.04220	1.4
107.08640	1.9
123.18703	1.1
125.06078	18.4
126.21487	0.9
135.08171	2.1
139.11285	1.3
143.07141	69.0
144.07454	2.0
151.11292	13.3
167.10782	11.4
169.12341	100.0
170.12633	4.9
171.08942	1.6
171.10275	15.9
195.10194	1.3
200.62151	1.3
213.11322	98.2
214.11646	4.3
237.14894	1.4
245.19119	19.5
246.19531	1.2
271.17035	2.0
276.69305	1.2
277.21817	2.2
289.18207	8.1
293.21185	1.9
307.19113	2.4
311.22342	5.3
321.20822	5.1
339.18179	15.3
339.21866	1.8
340.18292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1996
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
53.74100	0.3
55.01865	0.5
55.35648	0.3
65.15868	0.3
67.36990	0.3
70.56721	0.2
73.17664	0.3
79.95740	1.1
80.96545	0.3
81.95490	0.3
119.05046	1.0
133.06599	0.4
149.09761	1.5
163.11279	0.4
170.00385	1.8
170.56859	0.3
177.12837	0.8
183.01202	49.6
184.01736	2.3
196.69705	0.3
197.02786	4.9
198.03482	0.9
211.04309	0.5
222.85388	0.3
225.05946	0.8
239.07463	1.2
250.74748	0.3
253.09158	0.4
275.23642	0.3
339.19955	100.0
340.20300	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03440	3.5
59.01374	4.2
70.73515	2.6
71.05009	2.0
81.03432	2.4
83.05025	2.3
85.14178	1.3
90.37073	1.2
97.02943	4.3
97.06564	2.2
103.48660	1.5
109.06605	1.6
119.08691	2.0
123.04521	4.0
123.08152	2.3
125.06069	3.1
125.09705	7.0
127.07706	2.4
135.08212	1.6
137.06180	1.5
137.09721	5.7
139.07646	2.1
141.12874	1.7
145.77168	1.5
149.06090	3.5
151.11217	1.5
155.10704	1.7
163.11298	9.3
179.10770	1.9
181.12251	2.6
185.11852	10.6
191.14420	10.0
207.10217	5.5
225.11374	5.8
227.17729	1.3
230.29683	1.4
232.06755	1.5
245.19067	30.5
271.12106	1.3
271.17133	2.0
280.07123	1.5
289.18097	100.0
290.18427	11.5
307.19138	30.8
308.19510	2.7
321.20663	4.5
324.19525	5.6
339.21765	68.4
340.22028	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.51701	2.6
52.06522	2.5
59.01377	6.5
61.98824	3.7
69.65721	6.0
69.66101	5.8
71.01373	6.3
87.04509	22.2
93.04606	2.7
107.75687	2.9
112.14608	3.0
120.99656	57.0
125.06076	26.3
127.07649	12.8
137.09682	3.3
138.47148	2.7
139.11269	11.0
167.10765	6.3
169.12315	7.6
171.10275	17.1
183.10150	4.4
201.11320	13.1
206.51762	2.8
211.13362	26.9
233.15462	4.4
251.16515	22.3
277.21704	12.0
279.49130	3.5
281.17624	7.0
311.22116	3.5
339.17178	6.0
339.21735	100.0
340.22101	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
67.01891	4.6
68.65913	1.9
69.67300	7.1
72.99299	2.7
75.99240	2.0
97.06599	10.1
98.21909	3.2
99.04543	2.4
101.79030	2.3
107.08689	6.4
125.06085	21.2
135.08173	6.6
139.11247	2.6
142.56413	2.0
143.07144	69.1
147.03137	1.9
151.11328	12.9
155.10806	4.2
155.64391	1.9
159.07823	2.0
166.64674	2.1
167.10777	33.0
169.12343	100.0
170.12675	4.0
171.10275	45.7
172.10504	3.3
177.68538	2.1
209.11954	2.2
211.13252	2.1
213.11324	92.6
214.11620	4.8
217.10846	2.4
235.13373	4.7
237.14948	23.8
241.55125	2.1
245.19106	54.6
246.19426	5.0
253.14319	3.0
263.20129	3.2
271.17020	7.1
277.21765	7.9
289.18051	24.1
307.19141	4.9
311.22357	16.4
321.20651	37.4
321.24249	2.8
322.20883	3.5
325.05338	2.3
339.18106	14.3
339.21719	5.8
339.25369	2.7
352.61954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.9
59.01392	6.5
70.94315	2.4
71.01382	8.6
81.10536	2.3
83.05015	4.0
83.34666	2.3
95.05043	3.6
97.06588	18.9
107.10229	2.2
109.06619	2.6
111.08161	6.4
123.04524	2.4
125.09738	5.8
125.64668	2.2
126.17818	2.3
137.23917	2.2
138.06866	2.5
149.09740	4.6
151.11275	20.0
151.24207	3.0
153.12802	3.6
155.10794	4.2
161.09676	3.2
163.11304	5.2
165.12810	28.7
167.10764	4.0
171.10339	3.6
179.10764	8.9
181.12332	45.1
191.10773	15.7
191.14421	6.9
192.11317	2.6
197.11775	2.4
205.12306	2.7
209.09825	5.6
209.11818	100.0
210.12155	5.5
211.13403	6.6
227.12820	2.4
239.09047	2.2
245.19145	20.5
263.20081	5.7
271.17038	2.5
278.96161	2.2
289.18076	22.0
290.18277	2.6
307.19196	30.1
308.19479	3.4
311.22281	7.7
334.48215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	4.1
57.03437	9.4
59.01359	7.6
66.47074	5.0
69.69870	17.3
71.01368	8.1
78.08632	4.3
83.05013	7.2
84.17250	4.8
86.16911	4.5
95.05005	6.5
97.06571	14.1
98.21922	9.7
111.08137	5.0
151.11253	16.3
165.12819	34.5
179.10794	6.4
181.12282	38.5
191.10748	21.7
209.11821	100.0
211.13338	9.1
245.19080	15.8
247.84579	5.1
258.15704	5.0
289.18069	23.6
307.19174	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
61.02124	0.2
62.99234	0.2
63.20772	0.2
67.77361	0.2
69.58327	0.3
69.71570	0.9
105.92960	0.3
122.66120	0.3
147.08038	0.3
149.41647	0.3
157.72496	0.3
163.11284	100.0
164.11618	5.5
180.89507	0.2
238.98920	0.3
272.94412	0.3
339.23270	41.3
340.23602	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
64.92114	1.0
69.91412	0.9
70.34367	1.5
70.34693	1.4
71.64366	1.2
99.08150	2.0
106.63408	0.9
113.09701	3.3
127.07632	1.1
129.09229	7.8
145.64468	1.1
159.85916	1.2
197.15285	2.0
207.13695	1.2
209.15431	4.7
211.16949	1.6
221.15495	3.1
225.14952	15.0
226.35413	1.1
227.16490	5.3
239.16495	23.1
239.18866	1.4
240.16772	1.2
293.25150	1.1
303.23218	1.7
321.24341	15.1
322.24615	2.0
339.25381	100.0
340.25748	9.6
348.04419	1.1
363.00916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
59.01362	2.1
69.85543	2.7
72.06219	1.0
99.08145	3.2
100.09765	1.1
113.09729	3.3
117.89034	1.0
129.09233	8.6
138.73842	1.0
179.14207	1.3
197.15434	3.1
202.73001	1.1
209.15485	5.3
211.17043	1.6
221.15411	4.4
225.14969	17.2
227.16570	3.9
239.16515	23.1
240.16835	2.4
251.09007	1.1
293.25018	1.5
303.23196	1.8
307.19168	1.4
321.24384	15.6
326.19821	1.0
336.85229	1.3
339.25381	100.0
340.25729	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	Borjatriol
Peak:m/z	Relative Intensity
59.01378	100.0
60.01708	0.8
69.35013	1.2
69.35416	1.2
69.65352	0.4
73.69704	0.4
98.22621	0.9
110.97971	0.5
114.96497	0.5
134.18997	0.4
177.79245	0.5
279.23300	6.3
280.23624	0.8
297.24341	37.3
298.24753	3.3
301.29218	0.5
308.11948	0.5
331.93204	0.6
339.25378	18.7
340.25833	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
58.02976	2.5
59.01368	0.8
69.03463	0.2
69.77559	0.5
71.01370	0.2
71.05016	0.5
81.03461	1.7
82.06631	0.3
83.05031	1.7
93.03460	1.3
95.05024	0.4
97.02917	0.3
97.06604	0.4
98.22603	0.2
108.02201	0.2
109.06595	0.4
111.04523	3.2
114.05569	0.3
122.03716	0.2
123.04499	0.6
123.08166	0.7
125.09710	0.3
128.10817	12.9
129.11137	0.5
130.08737	100.0
131.09085	3.3
139.07704	0.4
145.02945	0.4
151.07646	2.7
159.04501	0.3
167.07185	0.2
167.10777	0.4
169.08681	1.8
171.10263	4.6
172.09789	4.2
172.36755	0.2
173.10042	0.5
201.11310	0.9
208.08612	0.2
209.11868	0.5
213.11276	0.5
222.06465	0.4
225.11339	0.4
235.07346	0.3
235.13303	0.2
236.08005	0.5
238.06465	0.2
238.09381	0.2
239.06938	0.5
246.06509	0.3
251.07045	0.3
251.12917	0.3
253.05167	0.2
253.08736	0.3
254.08989	0.5
255.10129	0.2
262.32361	0.2
263.06827	0.3
264.07452	1.5
265.08005	0.2
267.06583	0.5
269.11621	0.3
275.06738	0.2
277.08261	0.2
278.09113	0.2
279.15958	0.2
281.07156	1.2
282.08514	2.6
283.09698	1.6
287.16553	0.4
292.07022	1.1
293.07745	0.3
294.08643	1.0
295.06079	0.4
295.09253	0.4
296.06836	0.9
296.09988	0.3
297.10992	0.6
305.17557	0.6
308.06754	0.2
308.10068	0.4
309.07574	1.1
309.11078	0.7
310.08029	9.4
310.11505	0.5
311.09207	4.7
323.18442	0.5
324.09717	1.4
325.10364	6.7
326.11551	2.3
340.12738	7.9
340.21265	57.4
341.09998	2.3
341.13797	2.7
341.21823	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39860	0.5
54.08158	0.6
55.01877	4.8
55.98381	0.5
57.03453	2.7
59.01381	3.8
69.13288	1.6
69.13715	1.9
69.85988	0.5
71.01389	3.2
72.29679	0.6
75.00864	2.6
75.49111	0.5
76.32581	0.5
82.02951	0.6
85.02940	2.5
87.00826	0.6
89.02444	2.1
89.03974	2.1
93.03445	0.6
96.96017	1.0
96.96976	1.0
98.95611	0.6
99.92574	0.7
100.93362	1.0
101.02431	1.8
113.02416	1.2
114.05634	1.4
115.92079	2.4
116.92844	1.5
117.03464	9.6
119.03476	0.9
121.02972	2.2
124.04031	0.6
129.01944	2.5
130.08731	0.8
133.02997	0.6
134.03743	91.1
135.04051	4.1
137.02448	2.0
147.02992	4.4
147.04033	0.7
149.06082	8.0
165.04068	2.1
167.04597	1.1
178.02747	2.4
179.05667	1.0
179.07124	10.0
181.37784	0.5
192.21063	0.5
193.05058	100.0
194.05385	4.9
195.11493	1.0
205.14548	0.5
211.13452	1.7
249.95103	0.6
254.05775	0.9
296.16870	0.5
298.14139	1.9
315.86014	0.6
327.96472	0.5
341.04401	1.3
341.08765	5.9
342.15973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
59.01375	7.0
70.20367	1.6
71.01382	5.4
72.99302	1.8
73.02939	1.4
75.00872	39.7
76.33923	0.7
85.02966	2.4
87.00858	0.8
89.02452	3.1
89.03944	0.9
94.85531	0.8
99.00874	1.0
101.02436	2.8
104.64181	0.8
113.02439	1.1
116.07140	1.0
117.03474	3.1
129.01961	8.2
131.65700	0.7
134.03749	63.2
135.04100	2.4
147.02994	4.2
149.06094	3.2
161.04710	1.0
165.04048	100.0
166.04419	2.5
168.71233	0.9
179.05664	1.4
179.41284	0.7
187.69548	0.7
193.05063	45.4
194.05415	1.9
206.09013	0.8
209.11795	1.5
211.13416	5.7
236.16475	0.9
241.98494	0.8
254.17699	1.2
311.05280	0.8
312.12494	0.9
328.38837	0.7
336.84235	0.9
341.08478	1.5
341.12119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
56.04906	0.3
57.72623	0.4
59.01380	3.1
69.07101	2.4
71.01373	1.6
83.52785	0.3
85.02946	0.6
88.74567	0.3
89.02416	1.7
89.03992	0.4
91.05511	0.4
94.95095	0.3
95.49369	0.3
98.22662	0.7
101.02437	0.7
107.02885	0.3
107.05050	1.0
113.02470	0.5
114.05599	0.4
117.03439	0.4
119.03492	0.6
129.01941	0.4
133.02939	1.3
134.03748	5.1
134.04688	0.6
135.04523	98.9
136.04861	4.0
137.06084	0.8
149.06232	0.3
154.67036	0.3
161.02441	1.1
177.01933	0.5
177.05501	0.5
179.03488	100.0
180.03824	5.0
193.05028	2.0
193.06519	0.3
213.37057	0.4
217.05032	0.4
221.04518	0.5
251.05777	0.5
281.06674	0.6
298.14258	0.4
310.17590	0.3
341.08569	4.4
342.08701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.7
57.03450	1.1
59.01376	2.0
65.35110	0.5
69.28240	1.6
71.01384	1.7
73.02966	0.8
75.00869	2.3
78.15465	0.5
85.02955	1.7
89.02449	1.1
89.03972	2.2
96.95997	0.7
98.21852	1.1
100.31098	0.4
100.93402	0.5
101.02461	1.1
106.04300	0.8
109.02929	0.7
112.92794	0.5
114.05606	0.8
115.95807	0.5
117.03465	9.6
121.02972	2.4
129.01920	1.8
133.02959	0.5
134.03738	98.8
135.04057	4.1
137.02446	0.5
145.02773	0.4
146.03688	1.2
147.02991	4.7
149.06082	7.6
161.06084	0.5
165.04016	2.4
178.02693	1.9
179.05701	0.5
179.07118	2.1
193.05049	100.0
194.05351	6.5
197.06252	0.6
211.13359	2.7
211.15173	0.5
212.04825	0.8
224.04779	0.6
225.05550	1.8
226.06281	1.3
237.05489	0.9
238.06429	0.6
239.07133	0.7
240.04329	1.3
249.63623	0.5
251.07106	0.9
253.05066	1.7
254.05869	6.3
255.06612	1.3
257.41650	0.5
267.06592	3.4
268.07352	0.6
269.08224	4.1
281.10629	0.8
282.08774	0.6
296.12759	0.7
298.14474	0.6
310.10641	0.7
312.12405	6.0
325.13120	0.7
326.13742	1.2
327.14737	4.9
340.15506	1.8
341.08649	5.4
341.12216	0.7
342.09692	0.6
342.13013	0.8
342.17081	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.39046	0.3
56.71761	0.4
57.03448	1.6
58.00578	0.9
58.31835	0.4
59.01376	100.0
60.01712	1.0
70.54725	0.5
71.01378	57.3
72.01722	0.7
72.99316	1.1
73.02962	2.6
83.01411	1.7
85.02948	8.4
87.00886	4.0
89.02441	69.4
90.02801	1.3
95.01381	3.2
97.02975	0.7
99.00883	0.6
101.02438	24.9
107.03510	0.5
113.02447	21.3
114.02776	0.6
119.03504	24.0
125.02454	0.5
131.03526	4.1
131.04526	0.7
143.03493	6.1
149.04572	2.1
161.04559	8.6
162.00768	0.5
179.05606	28.6
180.05991	0.7
249.15923	0.4
341.10858	33.4
342.11267	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
56.57883	0.7
57.03461	1.7
58.00579	1.0
59.01376	100.0
60.01704	1.1
68.99490	0.7
69.55502	2.9
70.80531	0.7
71.01376	58.3
72.99310	1.6
73.02930	2.2
83.01394	1.7
85.02953	9.1
87.00875	2.3
89.02441	73.3
90.02801	1.4
93.43032	0.7
95.01383	2.2
97.02941	1.1
101.02438	25.9
113.02439	23.5
119.03500	25.2
131.03474	3.6
143.03499	6.0
146.14815	0.8
149.04553	2.6
161.04543	9.8
178.99522	0.7
179.05595	31.6
180.05930	1.4
183.16205	0.8
191.05652	1.2
236.34949	0.7
341.10837	41.6
342.11176	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93015	0.6
55.01872	0.8
57.03439	1.2
59.01378	100.0
59.25511	0.7
60.01702	1.3
69.03464	1.5
71.01379	40.4
72.99335	1.0
73.02945	43.0
74.55997	0.8
75.00871	0.8
75.72619	0.7
83.01389	9.1
85.02948	10.3
87.00854	1.5
89.02440	20.7
95.01407	2.3
96.96043	1.5
98.21863	1.4
99.00900	1.7
101.02439	28.3
101.03098	1.4
102.02796	1.1
113.00309	0.7
113.02454	21.8
114.05638	1.1
119.03616	7.2
119.05024	39.8
120.05437	1.1
125.02499	1.3
126.80078	0.7
131.03516	1.5
133.03038	0.8
134.03743	3.5
135.04529	26.8
136.04877	0.8
137.06111	3.0
143.03557	1.7
149.04611	1.2
161.04517	4.9
161.43469	1.0
174.56609	0.8
179.03502	26.2
179.05588	2.2
179.07069	1.2
180.03818	1.6
190.42896	0.9
193.05107	2.8
281.10303	13.2
282.10861	0.9
299.11368	5.8
341.08456	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65936	1.3
55.01871	4.1
57.03436	7.2
59.01379	16.3
62.23643	1.5
71.01366	9.4
71.05046	1.6
71.06787	1.5
72.99300	1.5
73.02937	2.5
75.00874	3.9
78.95921	1.8
82.02956	1.5
85.02942	6.7
87.78834	1.7
88.04070	1.5
89.02427	5.5
89.03984	2.7
90.35667	1.5
96.17949	1.5
96.96027	4.1
96.96971	3.8
99.92583	2.2
100.93378	6.3
101.02434	4.3
101.93389	1.4
113.02457	4.1
115.92067	6.3
116.92857	2.9
117.03443	10.6
119.05006	1.6
121.02955	7.4
124.04034	3.0
129.01895	3.8
130.08730	4.2
134.03741	96.0
135.04556	9.2
137.02432	2.2
143.03494	1.5
147.03008	5.0
149.06111	8.3
165.04056	2.4
167.04568	4.1
178.02774	2.4
179.03532	9.9
179.05612	1.6
179.07104	25.2
180.07385	1.3
185.46219	1.3
186.14180	1.3
193.05052	100.0
193.70279	1.3
194.05429	5.6
195.11244	1.7
281.10413	2.0
298.14127	7.6
341.04553	3.4
341.08850	7.6
341.12512	2.1
342.15649	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.0
58.61464	1.5
59.01381	14.0
61.98821	1.8
68.99798	1.5
69.03447	2.8
69.39113	3.7
69.39506	2.6
71.01366	6.2
71.05014	2.0
72.99299	5.9
73.02941	3.9
75.00877	7.8
81.03446	2.8
83.01416	1.8
83.05029	13.4
85.02930	5.6
87.00893	3.2
87.04531	1.9
89.02425	5.7
90.25620	1.5
93.03428	1.4
95.05020	6.1
96.96057	1.9
97.02937	4.3
97.06586	2.9
101.02456	3.8
107.05044	8.5
108.02148	6.3
109.06572	9.1
110.03679	2.2
111.00869	13.3
111.04522	3.5
111.08140	4.0
113.02472	3.9
116.07293	1.6
119.03492	1.8
119.05006	2.6
121.02910	1.9
121.06597	1.9
122.03700	4.5
123.04510	1.8
123.08124	2.0
124.01664	2.5
125.06060	3.8
129.01944	17.3
135.08154	4.8
136.05318	9.9
137.74522	1.4
139.07568	1.6
145.52628	1.5
148.05342	2.1
149.09657	2.0
150.05600	1.7
161.09706	2.2
164.04703	2.1
165.12827	4.5
171.10358	1.6
177.12888	2.0
179.10719	2.0
179.14345	3.2
181.12390	1.9
183.13936	1.6
189.12830	7.3
191.10757	2.0
191.14395	3.8
193.12273	2.2
201.12836	2.8
203.14366	2.7
205.12367	3.8
207.13905	4.6
209.11812	6.5
209.15443	1.6
211.13402	35.0
212.13887	1.7
215.14403	2.4
217.12282	3.2
219.13959	2.3
221.15506	2.1
223.13345	15.9
231.13826	2.1
233.11771	5.2
233.15511	2.6
235.13438	13.1
237.14937	3.9
245.11823	9.6
246.12192	1.6
247.13388	18.9
248.13663	2.2
249.14940	5.5
251.12877	100.0
252.13249	7.4
253.05130	3.0
253.14450	8.6
259.13440	16.0
260.13907	2.0
261.14935	4.2
263.12839	25.3
264.13226	2.7
265.14423	16.4
266.15009	2.0
277.14380	19.5
279.16107	1.7
281.13962	15.9
283.10059	1.9
287.12857	6.5
293.13989	12.4
295.15573	4.2
305.13892	34.6
306.14240	3.2
311.14951	2.0
312.08792	2.4
323.14932	21.6
341.06555	2.7
341.11298	2.5
341.15912	18.2
341.19647	18.9
342.16055	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55184	2.2
57.03450	4.3
59.01372	8.4
60.53278	2.2
62.21834	2.1
64.27036	2.3
65.81471	2.1
67.01904	3.3
68.99371	2.1
69.03444	5.8
71.01378	2.9
71.05022	14.0
71.43468	2.2
76.14468	2.0
81.03457	6.1
83.05027	5.1
84.02171	10.1
91.04742	2.1
95.05023	21.4
97.00265	2.4
97.02950	2.9
97.06591	6.1
99.04539	18.3
107.05101	2.5
109.06617	19.4
113.06141	2.4
118.89970	3.6
121.06654	2.5
123.04590	3.2
123.08172	2.9
125.09724	5.8
135.08153	4.4
150.95436	2.8
151.07668	8.1
151.18285	2.4
167.10825	3.0
169.08737	4.2
171.10265	100.0
172.10545	3.2
178.38155	2.4
185.11810	9.8
189.12968	3.5
193.12323	2.8
199.13371	3.0
209.11778	12.2
211.13434	3.4
225.14929	5.6
227.12984	6.0
233.11784	6.5
235.13394	4.5
249.14980	14.1
253.14478	15.1
254.11644	5.1
262.18829	2.8
279.19601	4.5
297.20700	4.8
305.17484	16.2
323.18658	10.8
341.10489	2.3
341.19647	12.3
341.23315	43.3
342.23788	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56262	4.8
59.01382	32.1
61.90940	5.4
71.01380	91.2
71.07894	7.7
73.02950	5.8
81.03451	9.1
83.05048	13.4
83.21384	5.1
97.02950	22.3
97.06593	29.1
99.56686	6.0
109.06590	97.2
110.03765	16.0
111.04480	6.1
121.06560	10.3
125.09674	7.1
127.11390	5.8
135.08151	15.1
157.12312	6.6
163.11276	44.5
171.10295	12.8
181.12329	17.5
185.11839	8.1
199.09741	9.6
207.10265	100.0
209.11853	8.0
225.11349	18.8
225.74449	5.4
235.13467	5.6
291.19684	7.1
341.09232	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39252	1.2
55.01873	1.7
57.03436	3.9
58.00610	1.2
59.01361	3.5
69.03456	2.6
69.11401	3.6
69.11801	4.1
71.01384	3.4
71.05024	4.2
73.02930	1.8
79.88307	1.1
80.02655	2.3
81.03461	6.2
82.03797	1.2
83.01393	1.7
83.05029	12.0
84.02158	12.3
85.02937	2.1
85.06583	4.5
87.04520	3.5
93.03463	2.1
95.05023	29.7
97.06572	1.8
98.06472	1.0
99.04490	1.8
106.83195	1.1
107.24558	1.2
109.06590	9.0
110.03704	1.3
111.04505	3.8
111.08155	1.7
112.05264	1.2
113.05426	1.2
113.06084	30.6
121.06632	1.8
123.08135	2.8
125.06098	2.4
125.09711	4.3
127.07658	2.9
127.11280	1.4
135.08165	1.5
137.06068	1.3
137.09729	1.3
141.09177	1.3
146.67685	1.1
151.07619	3.4
151.11255	2.2
163.11261	4.9
165.12825	3.6
171.10274	15.5
185.11838	10.8
189.12964	1.1
191.10794	2.0
191.14401	1.4
197.11824	8.9
201.11354	16.9
204.39902	1.3
209.11819	100.0
210.12166	5.2
213.11284	8.6
217.12317	1.2
221.11781	3.2
223.13300	1.7
225.11176	1.4
227.12895	13.9
228.13231	1.4
231.71538	1.1
233.11760	2.2
235.13403	7.8
237.15079	1.5
239.12952	2.9
247.13361	1.7
251.12798	7.1
253.14378	2.1
257.13968	1.5
265.14429	4.0
287.16620	7.0
297.17593	1.2
299.19440	1.2
305.17551	12.0
323.18640	15.0
324.19031	1.4
341.10834	1.9
341.19653	46.7
342.19910	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64126	2.0
57.03438	8.4
59.01376	11.6
60.59764	2.1
65.03959	2.6
67.01884	3.2
69.03458	13.5
71.01369	5.3
71.05022	37.7
73.02953	2.8
80.02679	2.7
81.03450	37.4
83.05024	32.0
85.02963	3.6
87.04520	3.8
93.03461	9.8
95.05034	18.7
97.02945	8.2
97.06585	9.8
98.22629	3.7
99.04518	47.6
101.06087	2.4
108.02209	4.4
109.03004	3.1
109.06591	21.0
110.03732	5.5
111.04531	12.6
113.06025	2.2
121.06605	3.2
123.04467	3.6
123.08160	4.2
125.06097	2.4
125.09722	7.5
127.07712	3.3
127.11303	4.8
133.06587	3.7
135.08124	6.1
136.05304	2.1
151.07664	17.3
153.09192	3.4
155.10756	3.3
165.09180	3.7
167.10820	3.7
171.10289	65.7
172.10687	3.6
185.11844	10.3
189.12863	4.4
191.14424	6.9
193.12328	18.8
195.13834	4.3
199.13483	5.4
201.11310	22.2
207.13885	2.5
209.11806	9.1
211.13420	6.2
213.11334	3.4
215.12996	3.5
223.13336	7.7
225.11444	4.0
235.13368	40.8
235.42809	2.4
236.13771	4.4
243.17430	5.6
243.78633	2.8
247.13405	2.9
249.14902	3.1
253.14449	100.0
254.14771	9.6
265.14438	6.9
276.67029	2.2
287.16544	28.1
305.17505	22.8
306.17783	2.9
323.18552	7.1
341.19687	73.0
342.19971	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.5
58.26535	3.0
59.01370	10.2
63.45715	3.1
69.54479	7.3
69.54866	6.5
71.01375	6.3
72.02177	3.4
73.02945	14.6
75.68893	2.8
81.07149	2.8
81.48148	2.7
84.02149	3.1
85.02959	8.2
87.77628	2.8
95.05022	38.7
97.06582	7.9
98.21923	5.8
99.08158	7.0
100.01650	9.7
107.05058	3.7
109.06599	3.7
111.08172	5.8
113.06078	5.7
113.09721	18.4
115.07660	15.7
121.02885	3.2
123.08189	6.1
125.06079	5.4
125.09718	3.3
127.07641	31.2
127.11231	4.3
139.07632	8.5
141.09193	17.1
143.07120	5.3
151.11324	22.7
153.09261	4.4
155.10823	3.4
163.11266	6.9
167.10835	4.0
169.08702	29.5
169.12372	10.7
171.10266	100.0
172.10678	3.5
185.11850	12.2
197.11870	3.6
199.13383	8.3
201.11317	6.0
207.10219	16.4
209.11816	9.7
213.11311	15.3
215.12996	3.7
225.11362	26.0
227.12894	26.5
277.17987	3.2
279.19659	12.7
282.77490	2.8
297.21115	3.0
305.17581	10.4
323.18484	8.4
341.19580	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.5
70.40439	3.8
71.01378	7.5
72.02178	2.5
73.02956	13.2
83.05013	3.7
84.02185	3.9
85.02953	7.9
95.05035	34.4
96.05342	2.8
97.06579	6.2
99.08170	5.0
100.01678	13.7
107.05016	7.1
109.06570	7.8
113.06096	5.4
113.09713	20.8
115.07645	16.5
119.82938	2.0
123.08119	3.9
125.09720	7.6
127.07655	30.8
127.11284	3.6
132.91841	2.2
139.07626	8.5
141.09250	14.5
149.09688	2.4
151.07668	8.1
151.11292	18.2
153.12810	2.5
154.29218	2.7
155.10826	3.5
163.11308	8.2
167.10780	10.1
169.08708	34.0
169.12340	6.8
171.10283	100.0
172.10590	5.7
181.12387	4.3
185.11813	16.5
189.09221	2.8
195.10115	3.4
197.11761	5.1
199.13405	4.2
201.11331	5.4
207.10222	14.8
209.11783	7.1
211.13370	7.3
213.11304	22.2
225.11317	26.1
226.11824	3.1
227.12866	19.2
249.08951	4.9
259.41974	2.4
261.18381	2.2
265.14810	2.5
279.19611	14.0
295.18979	2.8
297.20578	4.7
305.17542	7.4
309.10254	2.7
323.18555	9.0
341.19662	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30192	1.1
57.03439	1.5
59.01372	5.1
67.01872	1.7
69.03470	1.5
70.74438	2.5
71.01370	1.6
71.05011	2.4
73.02937	3.6
79.05549	1.6
83.04991	1.4
84.02171	10.7
85.02950	1.6
95.05038	7.6
97.02920	2.1
97.06598	7.3
99.00871	1.3
99.04516	4.2
100.01647	1.6
107.05032	2.2
111.08230	1.6
113.06057	1.6
113.09727	7.5
115.07633	4.6
123.08128	1.3
125.06067	3.3
125.09719	4.5
127.07649	8.3
127.11292	1.4
135.05531	1.2
141.09196	4.7
151.07660	2.0
151.11314	3.8
163.11266	1.7
169.08687	13.9
169.12350	3.6
171.10265	43.9
172.10602	1.3
183.13899	11.6
193.12328	7.1
197.11757	1.4
199.13356	3.0
207.10272	6.0
209.11781	6.3
211.13397	15.4
225.11366	7.7
225.14955	10.3
227.12874	6.8
243.12338	3.1
243.15968	3.0
261.18549	1.8
279.19638	5.3
291.19632	1.5
305.17599	4.8
323.18637	4.4
341.19647	9.5
341.23288	100.0
342.19949	2.1
342.23669	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01355	0.8
59.29803	0.5
69.03444	2.4
69.26086	1.7
69.26479	0.8
83.05045	0.7
84.02168	7.6
95.04977	0.8
97.02945	1.2
97.06593	8.6
97.56141	0.6
98.22604	1.3
99.04516	1.9
105.79350	0.5
107.98666	0.5
121.10243	0.8
125.09721	1.6
137.09679	0.9
139.84686	0.6
142.94398	0.5
151.88930	0.6
153.09154	0.7
171.10257	9.3
175.11272	1.0
183.13896	4.3
193.12343	10.0
194.01173	0.6
209.11858	1.4
211.13461	2.5
216.07451	0.6
221.11885	0.8
225.14955	15.7
226.15269	1.0
243.15988	5.6
244.16423	0.8
272.15869	0.6
291.19608	1.1
322.14090	0.6
341.23309	100.0
342.23605	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43228	0.7
59.01373	3.8
69.03446	2.2
69.71070	1.9
69.71450	1.6
83.05016	2.0
84.02168	1.7
92.26347	0.8
97.06586	13.2
98.22614	1.1
98.52316	0.8
106.64983	0.8
106.92023	1.0
125.09686	2.1
137.09706	1.3
149.09769	1.1
151.46060	0.8
171.10278	10.9
175.11234	1.2
177.00661	0.8
183.13962	2.1
185.11771	1.1
192.63632	0.8
193.12315	13.9
195.59338	0.8
199.09752	0.9
209.11778	1.5
211.13292	4.5
218.17133	0.8
221.11937	1.3
223.17044	3.3
225.14943	22.7
226.15334	1.2
243.16002	10.4
253.14467	1.9
267.15933	1.0
291.19641	1.2
305.20981	1.0
341.23285	100.0
342.23633	12.4
351.36734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01381	4.9
63.92384	0.9
69.31061	5.9
71.01380	6.8
83.01386	5.1
83.04984	1.1
90.42944	0.9
92.60637	1.1
93.95762	0.9
95.05061	1.1
97.02964	2.1
97.06602	3.4
98.21920	1.4
103.48047	0.9
109.06592	5.3
113.09734	2.7
115.07619	1.5
119.05046	1.2
121.02963	3.2
123.04536	3.1
124.19818	1.1
125.09695	3.8
127.07655	5.8
134.06122	1.8
139.11255	1.6
141.09236	1.2
144.94402	0.9
145.20903	0.9
147.04582	1.5
151.11230	2.3
159.44492	1.0
162.65160	1.1
163.11331	2.9
165.12804	1.7
167.14413	1.8
169.12335	13.1
171.10249	3.1
181.12358	4.4
183.13908	1.1
185.11839	2.0
189.92586	1.1
193.05142	1.2
193.12444	1.4
199.98735	1.1
207.10263	6.6
211.13428	4.3
213.11325	5.6
221.15451	1.6
225.11374	1.6
231.12395	8.0
240.13605	2.5
247.20685	3.3
265.21585	2.6
273.18533	3.1
281.21002	1.8
291.19647	32.4
292.20139	2.6
309.20700	100.0
310.21045	10.2
341.10373	12.2
341.14682	1.8
341.19577	3.6
341.23291	9.7
342.10358	2.0
342.16934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.4
59.01362	6.2
64.22622	2.0
69.03462	2.1
69.47124	2.6
69.47467	9.0
71.01380	10.6
80.02640	2.9
83.05038	4.0
95.04988	2.5
97.06570	3.3
98.22649	3.6
111.08170	3.6
113.09702	5.4
123.08131	2.5
125.09709	6.0
134.94630	2.3
151.11285	27.2
153.12813	2.2
155.10741	5.2
163.11284	3.7
165.12845	23.9
166.13167	2.1
167.10800	2.7
171.10245	8.3
179.10754	4.2
181.12357	33.0
182.12746	3.2
185.11804	6.1
187.49994	2.0
188.95572	2.1
191.10782	12.6
207.10126	2.2
209.11819	100.0
210.12152	6.4
211.13351	4.2
247.20665	5.7
263.20181	3.9
265.21671	4.6
281.21274	4.2
291.19644	12.3
305.32175	2.2
309.20792	16.8
341.26691	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00607	26.4
61.98842	40.5
69.63200	48.8
69.63552	100.0
86.10136	24.7
89.02438	38.5
112.19096	28.6
115.59956	26.9
147.86720	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98811	20.5
69.36862	26.9
71.01394	40.6
73.02932	8.7
77.62268	6.9
77.95165	7.4
79.53590	6.7
85.02925	12.1
85.76141	6.0
88.04052	7.3
89.02437	38.5
90.02787	6.5
98.62968	7.4
99.08812	7.5
101.02425	27.0
101.85867	6.3
113.02425	18.4
116.92878	10.0
119.02615	7.1
119.03514	20.9
119.05015	20.9
121.02929	31.3
123.00806	12.1
133.02934	14.8
135.04521	74.4
136.04834	63.2
137.06075	28.8
138.03186	12.2
179.03494	48.0
180.03853	50.9
181.05049	93.0
182.02219	9.1
197.04553	34.0
227.13933	19.3
239.16440	7.4
299.11215	25.2
342.09097	12.4
343.10284	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40029	19.4
59.01380	100.0
61.98834	23.2
71.01396	24.8
89.02471	22.7
98.21847	18.6
102.40168	16.1
103.01192	18.6
116.44553	17.2
121.02917	61.0
131.75182	15.5
136.04843	38.1
137.06062	98.6
179.03546	40.7
180.03799	40.6
259.73105	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1346
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
59.01378	7.5
63.52322	1.2
70.98686	1.3
71.01389	4.6
73.02923	2.1
74.99093	5.9
75.00893	1.2
81.98537	1.3
85.02945	1.3
89.02454	1.3
98.81798	1.2
99.08109	1.7
108.02195	1.3
109.02948	1.3
112.04025	1.6
113.02468	1.8
113.03625	1.7
114.02744	1.4
116.07178	4.8
121.02956	4.8
122.03761	3.0
122.06110	1.7
123.04502	2.2
131.04648	3.7
138.05615	2.0
145.08720	2.1
146.03693	1.2
147.03273	3.0
148.04028	5.1
149.02457	1.5
149.04932	1.6
150.04405	2.1
150.05608	34.3
160.04030	2.3
161.02408	3.7
162.05548	1.4
163.04002	4.2
164.04831	5.0
165.04088	1.7
173.02469	1.6
174.03233	4.6
175.04001	1.9
176.04800	4.9
179.07100	2.7
179.10678	1.9
180.11099	2.9
181.37282	1.4
189.05582	2.9
207.06615	6.1
209.11833	3.1
210.05797	2.8
211.13364	12.1
223.66972	1.3
255.05371	1.7
268.06122	1.4
279.05298	2.3
280.06042	3.4
282.03995	6.0
283.04895	6.9
294.07892	3.3
296.05591	10.9
297.06412	99.6
298.06839	9.2
299.19675	1.5
307.13934	4.7
311.08066	4.6
312.08786	92.5
313.08990	9.3
325.09558	2.5
326.10382	5.0
327.11124	82.2
328.11563	9.6
342.13419	100.0
343.09384	1.7
343.13953	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40400	4.3
54.46468	3.9
69.44524	8.5
69.44910	12.5
81.99109	28.7
121.02972	4.7
123.63442	4.0
133.63028	3.7
135.84607	4.0
178.81548	4.0
342.20468	100.0
343.20779	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.4
66.08338	3.1
66.37457	2.9
69.09658	10.8
69.10067	10.9
88.97135	3.7
108.13486	3.0
110.30812	2.9
131.15013	3.8
141.00957	3.2
174.15883	3.9
342.16562	6.5
342.20465	100.0
343.20691	13.4
354.87866	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	84.8
60.01719	0.8
61.98833	0.2
68.57340	0.1
71.21513	0.1
82.39931	0.1
82.95428	0.2
113.04603	0.3
115.02525	0.4
121.02994	0.4
149.62529	0.1
156.90884	0.2
156.92683	0.1
157.03571	6.7
158.03696	0.4
158.90622	0.1
159.01514	3.1
160.01683	0.3
166.83844	0.1
191.92511	0.1
198.91986	0.1
199.98911	0.2
201.02559	100.0
201.89400	0.1
202.02711	8.4
290.04901	0.1
331.59943	0.1
343.03754	3.1
344.03754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81817	0.4
54.81327	0.3
56.57754	0.4
59.01380	85.9
60.01714	0.8
70.05059	0.9
71.01401	0.6
78.81257	0.3
85.02888	0.3
89.02421	0.4
90.21263	0.4
98.22564	0.4
113.04603	0.4
115.02496	0.4
118.32664	0.4
130.08743	32.2
131.09102	0.6
141.00502	0.4
150.04137	0.6
157.03572	8.1
159.01541	1.8
183.01471	0.8
188.07785	0.8
199.98712	0.5
201.02553	100.0
202.02707	8.6
212.06761	0.4
230.08899	0.6
240.07285	0.5
294.00595	0.4
299.14529	0.9
301.16190	1.0
343.03802	3.1
343.17230	21.6
344.03735	0.9
344.17651	2.8
363.04172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.21961	0.9
54.53481	1.0
58.02977	2.7
59.01382	20.8
61.98821	1.4
63.32809	0.8
71.01390	3.0
71.38617	1.0
74.02481	2.3
88.04060	2.8
89.02453	2.1
96.00893	1.1
98.02484	2.0
101.02460	1.6
109.02958	6.5
109.06609	3.2
113.03584	2.1
115.08773	1.8
115.92079	1.7
116.07179	24.7
116.92888	1.4
119.05032	4.0
121.02956	12.2
122.03726	1.2
123.00891	3.5
130.08765	3.3
133.03046	0.9
135.04536	4.0
137.02437	1.5
137.06087	25.5
138.03220	4.8
138.06464	1.1
140.07179	2.3
143.11908	1.8
153.05586	3.6
166.08760	1.8
166.99873	1.0
167.08281	1.5
172.91641	1.0
181.05070	100.0
182.02214	2.9
182.05479	4.5
185.16631	7.0
197.04564	10.3
200.14227	1.1
201.02570	1.1
209.09267	2.3
211.14403	1.4
221.16643	1.7
226.12048	2.6
229.15564	2.8
229.18774	1.0
300.15677	3.3
307.14124	5.0
309.14542	3.5
314.07751	1.1
326.17328	5.4
343.10364	16.8
343.19888	28.4
344.10944	1.7
344.20355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.2
69.56529	0.5
69.56911	0.4
71.01383	3.6
85.02962	0.8
89.02447	5.8
95.01381	0.3
101.02419	1.6
101.93770	0.3
108.02184	1.5
113.02439	1.5
116.07201	0.6
119.03506	1.9
121.02969	0.4
144.73582	0.3
152.01164	1.3
161.04596	0.4
179.05681	1.1
209.11792	0.6
241.11050	0.3
252.73006	0.3
343.06512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01762	0.8
61.98843	0.9
63.06398	0.7
69.03445	0.9
71.01380	5.2
83.05054	0.8
85.02969	1.0
89.02435	7.1
91.59360	0.7
96.96027	0.9
98.18615	0.8
101.02464	1.6
111.00871	0.8
113.02503	1.4
119.03505	1.5
120.99661	5.8
121.02923	3.8
134.03755	0.9
149.02483	1.5
150.03236	2.0
164.04788	0.8
171.10295	1.3
179.05638	0.9
181.08682	1.3
181.80441	0.8
181.82407	0.7
185.12030	0.8
194.75719	0.7
201.11314	0.7
209.11879	1.1
213.62492	0.7
227.13040	0.9
334.06522	0.8
343.12283	2.9
343.17590	1.5
343.21213	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26171	3.3
59.01377	100.0
70.40662	4.2
70.40996	6.5
71.01377	6.3
73.96834	3.7
78.89175	3.6
89.02452	6.3
95.66383	3.7
98.22594	3.9
100.02389	3.3
121.02999	7.4
145.93161	3.4
171.10297	5.8
343.11618	5.1
343.21231	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	58.1
59.21673	9.3
61.98846	11.0
69.07578	54.7
71.01366	11.5
71.59247	9.0
76.81898	9.0
93.59700	8.7
98.21862	17.1
108.02203	24.8
116.07155	23.4
121.02959	32.2
123.04463	11.6
130.08739	22.2
131.04622	20.7
135.04521	38.0
150.05531	18.8
150.76787	10.1
151.00305	9.6
151.06009	11.5
163.03990	42.1
164.04817	57.1
165.76076	8.5
176.04794	18.6
177.88896	9.1
178.06311	12.9
179.07175	8.4
181.05118	10.7
191.03520	13.8
192.04245	22.1
195.61470	9.6
195.63396	9.7
207.06616	100.0
209.11819	57.5
210.05286	9.6
217.99617	8.1
219.06650	16.1
227.12923	22.9
297.06268	14.5
298.06674	76.5
313.09079	65.2
328.11285	39.9
343.13541	78.0
344.21863	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88137	3.3
56.88540	3.2
57.03435	5.3
58.02744	3.4
59.01368	7.9
70.76398	6.3
71.05015	6.1
73.02940	3.7
87.13587	3.1
87.72958	3.3
89.70319	2.7
96.96008	47.1
97.06577	11.0
99.92583	42.0
100.92605	13.7
100.93273	3.5
115.07639	7.6
115.92084	7.4
116.42930	2.9
118.89982	30.0
119.89981	20.4
120.89687	35.7
121.02971	3.5
121.06594	9.8
125.09721	9.9
129.09210	17.4
135.90242	5.0
136.90260	4.2
137.89969	7.9
141.09268	6.8
143.10779	8.5
151.11310	14.8
171.10263	32.9
185.11842	18.2
201.11340	7.9
209.11804	12.9
211.13408	8.9
213.11383	9.3
227.12813	9.9
229.14511	4.1
233.15468	29.8
235.13347	17.9
251.16646	3.4
279.19562	6.2
289.18109	100.0
290.18552	7.3
306.05618	9.6
307.05765	9.4
307.19165	42.5
308.19473	4.1
325.20084	5.0
328.62091	3.8
343.03540	29.3
343.24966	6.2
344.03082	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	46.0
61.98808	0.5
70.88563	0.6
71.01374	0.7
84.08178	0.7
89.02444	0.8
101.02437	0.5
116.79931	0.4
117.00424	0.7
119.39250	0.4
128.07153	0.6
130.08734	100.0
131.09071	2.4
143.91052	0.4
157.03543	3.8
159.01500	0.9
180.06609	0.6
181.06985	0.4
188.07800	1.5
190.96730	0.4
201.02542	48.8
202.02716	4.7
228.07356	0.8
230.08849	2.4
240.07291	0.6
299.14737	2.5
300.14981	0.5
301.16196	3.5
343.03610	1.2
343.17221	67.2
344.13095	0.5
344.17422	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16526	1.9
58.02971	15.9
59.01381	52.2
61.98829	2.4
69.03451	6.8
69.25457	11.1
70.02972	6.9
70.06597	2.8
71.01363	4.5
71.05007	3.1
72.00912	2.8
80.90058	2.3
96.00892	3.3
96.04537	11.4
96.96040	2.2
97.06609	2.2
104.15447	1.9
113.07212	14.4
114.05593	3.9
116.92770	2.3
121.02963	10.1
130.08752	4.9
133.17274	2.1
141.12816	2.4
152.21373	2.2
157.06189	30.3
183.13878	4.0
185.11829	80.1
210.14984	15.0
211.13293	3.0
220.16991	3.8
225.15013	2.2
238.18153	32.0
246.14951	4.2
256.19171	100.0
257.19571	10.2
264.16034	6.0
281.18655	30.7
282.16809	11.9
290.13879	3.1
299.19769	50.0
300.19980	5.0
308.14960	4.6
325.17542	3.3
343.18542	48.5
343.24640	3.2
344.18951	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	33.2
63.66032	7.5
71.01378	100.0
83.05008	12.0
85.02937	8.2
90.64520	7.2
93.43523	9.3
97.02940	8.5
109.06577	34.7
121.02930	17.1
137.08240	8.7
163.11252	25.4
163.12540	7.1
171.10146	8.1
199.09798	14.4
207.10260	52.8
215.12984	9.3
343.28561	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32023	0.6
57.03455	1.8
59.01381	40.4
60.01698	1.0
67.88131	0.6
69.03445	1.6
69.47310	2.8
71.01387	1.4
71.05022	1.6
72.63050	0.6
76.15055	0.7
83.05029	3.3
84.02178	2.0
85.02955	2.9
85.06611	1.0
87.04484	1.2
95.05032	4.4
97.06603	5.3
106.04260	3.0
109.06527	0.9
113.06051	0.9
121.02925	1.5
123.08159	2.7
125.09755	1.0
133.06560	0.7
135.08163	7.1
139.11401	0.8
141.09290	0.8
150.82799	0.7
153.09248	2.3
165.12892	2.0
167.10776	2.2
167.92671	0.6
171.10275	10.6
177.05589	0.6
183.13853	1.1
185.11888	0.8
201.11328	3.9
209.11873	2.2
211.13478	5.5
221.15533	0.9
223.57973	0.6
225.98351	0.6
229.14413	10.2
237.14960	1.4
244.23534	0.6
249.14960	2.3
285.17020	1.8
289.17966	1.0
320.43161	0.6
325.20190	4.5
343.12180	2.3
343.21255	100.0
344.21564	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03450	3.4
57.47272	0.6
57.50624	0.7
59.01368	2.6
69.03456	2.0
69.28296	3.8
71.05016	3.1
73.02930	0.8
79.95712	0.8
81.03463	1.4
83.05017	4.8
84.02158	2.2
85.02954	3.1
85.06581	1.6
87.04523	3.5
95.05033	5.1
97.02996	1.0
97.06616	2.4
106.04263	1.4
109.06584	2.0
111.04470	0.7
113.06072	1.4
121.02963	1.2
123.08170	1.2
125.09750	1.9
127.11282	1.5
135.08139	1.9
153.09236	1.6
167.14409	1.2
171.10258	34.3
172.10570	0.9
177.31056	0.7
183.13861	1.9
185.11766	1.8
191.14455	0.9
193.12381	1.0
195.13846	1.1
197.11838	1.2
199.13426	0.7
201.11356	1.7
209.11833	2.8
211.13379	11.8
221.11887	1.5
223.13448	1.0
229.14421	12.2
237.14964	8.6
239.12866	1.2
249.15027	2.8
255.15994	3.6
267.15930	0.9
273.77744	0.7
285.17145	1.3
289.18140	2.3
300.44702	0.8
307.19156	1.3
325.20230	7.7
326.20596	1.3
343.13528	2.4
343.21246	100.0
344.21588	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91783	1.3
57.03456	2.3
59.01384	8.3
69.26328	5.3
69.26736	3.1
71.01377	4.2
71.05016	5.3
73.02940	4.2
81.03465	2.1
83.05015	2.1
83.44411	1.5
85.76211	1.3
95.05012	2.4
97.06587	9.4
98.21891	2.9
99.04511	2.2
99.25064	1.6
101.06078	2.2
112.05319	1.5
113.06118	9.2
121.02943	4.9
121.09425	1.6
123.08175	1.8
125.06045	1.7
125.09744	14.3
127.11283	8.3
141.09200	4.7
143.10782	1.9
153.09212	4.8
155.10762	3.4
165.12851	5.3
171.10275	70.2
172.10658	2.0
179.10785	3.5
181.12286	3.5
183.13951	2.6
185.11823	2.8
191.10843	2.4
192.95944	2.2
197.11833	7.9
199.13403	2.5
201.11334	3.1
209.11852	14.7
211.13387	2.0
213.11263	7.5
215.12875	100.0
216.13220	5.9
227.12881	59.2
228.13199	5.2
229.14479	9.7
243.06737	1.8
247.15497	15.6
289.18115	6.5
307.19162	20.6
308.19437	3.4
343.21106	6.1
343.24841	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03449	2.1
58.00577	1.9
59.01378	6.0
69.03436	2.9
69.61489	5.4
71.01423	2.3
73.02949	10.1
83.05041	2.2
88.61147	1.7
95.05038	3.4
97.06580	8.2
99.08160	2.3
113.09718	3.5
115.07657	24.1
121.02961	3.9
125.09718	2.9
127.07643	3.8
127.11299	3.5
127.28695	1.5
129.09222	35.8
137.09729	1.8
141.09229	15.7
143.10796	28.3
148.86917	1.4
149.60880	1.5
151.10062	3.3
151.11282	43.0
152.11592	2.1
153.09196	2.2
153.12857	3.8
155.10849	2.2
165.12799	1.9
167.10823	2.9
169.12354	2.4
171.10271	100.0
172.10614	5.4
185.11818	5.7
195.10225	4.9
197.11887	4.1
199.13393	4.3
201.11386	6.4
207.10387	1.8
209.11832	3.5
213.11403	3.8
215.12961	5.3
225.11299	5.1
227.12894	26.6
228.13280	2.9
229.14549	6.3
235.13368	8.3
243.51364	1.6
263.20032	3.5
281.21353	1.7
289.18173	1.7
297.20535	3.5
307.19220	13.1
325.20108	11.9
343.21127	3.6
343.24670	12.3
344.24988	1.8
351.32379	1.4
356.56018	1.6
358.96350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38169	1.9
59.01374	5.2
85.11080	2.2
85.14566	1.8
97.06553	2.7
99.08154	7.8
102.40834	1.9
113.09779	1.8
114.55338	1.9
121.02965	5.9
125.09676	5.2
143.10855	2.2
151.11256	2.1
155.57655	2.3
171.10220	16.7
189.04158	2.0
193.12334	13.0
201.11305	2.7
208.81200	2.1
209.11771	2.2
211.13341	3.7
225.14940	17.5
243.15959	2.9
244.16399	2.3
261.22787	1.9
289.18161	4.9
307.19260	3.4
325.20166	4.1
343.24866	100.0
344.25073	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03448	1.0
59.01388	4.4
69.03447	1.9
69.21262	3.2
73.02976	0.6
83.05036	1.3
97.06593	1.6
97.40855	0.5
98.22652	0.9
99.08157	9.1
121.02950	1.2
121.10240	2.3
123.08144	1.7
125.09731	7.0
127.11320	0.9
129.09219	0.9
137.09761	1.4
139.11324	0.9
141.09195	1.1
143.10822	0.8
145.17587	0.6
151.11266	1.0
153.09215	0.8
155.10818	1.5
165.12868	1.2
171.10263	18.1
172.10632	0.9
175.11264	0.9
185.11882	0.7
193.12326	14.8
194.12726	0.7
199.09802	1.2
201.11307	7.3
202.11676	0.7
209.11867	1.0
211.13443	3.0
215.12880	1.4
225.11365	1.6
225.14946	21.5
226.15286	1.0
243.12274	0.9
243.15956	6.7
244.16385	1.1
263.20428	0.6
289.18140	2.0
293.21234	2.6
307.19250	3.3
325.20215	1.1
343.24875	100.0
344.25226	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77442	20.4
55.09370	18.8
69.13427	100.0
69.13846	41.5
91.38718	22.0
107.21848	21.5
116.92911	19.9
127.83711	21.7
217.24471	20.8
301.16391	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34826	6.6
55.85804	7.2
63.87527	6.4
66.39579	5.9
72.99264	8.8
82.35454	7.6
90.87727	6.7
95.57605	6.0
123.04510	10.5
129.53310	6.0
146.43408	8.3
209.19478	6.4
256.23557	20.5
294.57654	6.7
302.46231	8.0
344.22067	100.0
344.28821	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70891	1.2
59.01382	100.0
61.25336	1.2
65.54162	1.2
67.94320	1.3
71.01400	7.7
73.02953	3.8
73.44795	1.2
74.02457	2.4
75.00871	10.8
79.95760	1.8
85.02958	2.8
87.00881	1.6
89.02450	2.3
96.96011	1.3
99.00887	1.3
101.02449	2.5
107.47798	1.2
108.02181	6.6
113.02467	4.2
118.05150	6.8
120.99674	2.8
123.04529	17.1
157.62004	1.1
161.04590	9.9
182.13286	1.1
186.57935	1.2
193.02007	1.2
201.10294	2.0
209.11766	1.4
224.87061	1.2
227.12875	1.4
253.09883	3.1
271.10910	2.6
283.10776	2.8
301.11984	3.1
345.09860	2.6
345.15717	1.8
366.68985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03444	2.3
58.00599	1.3
59.01376	100.0
60.01705	1.0
60.80245	0.7
61.98815	1.0
69.26166	3.5
71.01379	75.5
72.01701	1.1
72.99305	1.7
73.02943	13.9
75.00846	0.9
79.43123	0.7
80.84818	0.6
83.01371	6.3
84.02161	0.8
85.02947	23.5
86.03291	1.3
87.00890	1.9
89.02441	41.8
90.02774	0.9
90.88456	0.6
95.01388	5.3
97.02975	1.4
99.00874	7.0
101.02439	51.6
107.42703	0.7
113.02444	31.5
114.02798	1.1
119.03498	18.4
119.04312	1.2
120.03889	0.8
121.10223	19.3
121.11069	1.3
122.10542	0.8
123.04584	1.1
125.02447	1.2
131.03520	1.9
143.03490	2.8
149.04570	1.5
159.02979	3.6
161.04558	19.1
161.05850	1.4
164.27747	0.7
165.09167	5.5
167.10783	2.0
179.05618	1.7
183.10292	6.3
238.85861	0.8
301.16333	1.7
345.15515	70.4
346.15735	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
56.05521	1.3
57.03460	2.1
59.01381	100.0
71.01382	52.7
71.44141	1.4
72.99289	2.2
73.02943	6.1
75.00853	1.5
75.24249	1.5
83.01363	2.7
85.02955	11.5
87.00866	3.7
89.02448	52.1
91.82774	1.3
95.01405	3.3
96.96011	3.2
97.02919	1.5
99.92560	1.7
101.02447	31.3
107.05052	2.0
109.18716	1.3
113.02456	22.1
116.92875	6.2
119.03513	22.2
121.10242	20.3
123.04520	6.7
129.01974	1.5
131.03529	2.3
135.04585	7.1
143.03497	2.3
149.04622	1.3
161.04541	5.7
165.05568	1.9
171.10274	1.8
179.05595	3.9
225.11220	2.2
229.14293	1.9
243.12358	2.1
297.11340	2.6
345.06512	2.3
345.10770	3.6
345.15494	48.1
346.15988	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07753	10.3
59.01367	36.9
69.57683	28.5
75.30992	8.5
78.50764	9.9
97.06561	11.5
98.22585	9.7
101.63883	9.4
121.06564	12.7
123.04554	51.4
124.90032	9.7
125.09673	15.2
127.11257	8.1
134.03761	79.6
135.04459	11.3
135.08165	19.4
135.20284	8.2
171.10260	28.6
185.11856	15.3
187.04158	16.2
209.11743	8.2
211.13402	50.7
233.15388	12.5
235.13347	14.2
249.14972	20.1
271.04114	8.3
289.18079	69.5
291.19400	26.6
307.19165	100.0
309.20615	54.1
327.15924	17.8
345.13678	91.0
345.17163	16.4
345.22806	14.9
353.20279	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07753	10.3
59.01367	36.9
69.57683	28.5
75.30992	8.5
78.50764	9.9
97.06561	11.5
98.22585	9.7
101.63883	9.4
121.06564	12.7
123.04554	51.4
124.90032	9.7
125.09673	15.2
127.11257	8.1
134.03761	79.6
135.04459	11.3
135.08165	19.4
135.20284	8.2
171.10260	28.6
185.11856	15.3
187.04158	16.2
209.11743	8.2
211.13402	50.7
233.15388	12.5
235.13347	14.2
249.14972	20.1
271.04114	8.3
289.18079	69.5
291.19400	26.6
307.19165	100.0
309.20615	54.1
327.15924	17.8
345.13678	91.0
345.17163	16.4
345.22806	14.9
353.20279	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
54.50943	0.6
54.98021	0.6
57.03427	1.2
57.85365	0.6
59.01379	95.6
60.01716	1.6
60.41846	0.6
61.98825	1.4
69.03470	1.0
70.98365	0.9
71.05032	1.2
72.99326	2.2
73.02977	0.7
79.77267	0.6
83.05028	1.2
84.02138	0.9
85.02944	4.1
87.00885	1.4
95.05003	0.6
95.68176	0.6
97.06642	0.7
99.08157	3.9
101.06084	1.8
105.01938	1.7
109.06611	1.3
120.72746	0.7
123.04536	2.9
123.08157	3.0
125.09711	1.0
134.03783	1.1
137.09692	3.2
148.05283	0.7
149.09738	1.2
161.08289	0.7
161.14833	0.8
165.12877	7.0
167.10757	7.8
171.10249	1.0
183.13933	2.6
185.11786	1.6
187.04088	0.9
195.13887	7.8
200.01619	0.9
211.13449	3.5
234.03444	0.6
257.13940	21.5
258.14166	1.7
273.20798	0.7
327.21707	5.1
345.22791	100.0
346.23068	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2798
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
51.07285	1.1
59.01368	1.0
61.31705	1.1
70.44975	1.8
71.01371	1.4
84.84782	1.0
126.63169	1.0
135.95410	1.0
213.37199	1.1
247.17064	1.6
303.20688	1.4
345.27960	100.0
346.28229	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	63.9
60.01712	5.5
61.01792	2.1
61.98829	100.0
62.01226	0.9
82.68324	1.1
96.96015	2.2
104.43370	1.1
122.95567	1.0
132.68596	0.9
158.03691	2.2
159.03337	2.1
186.42619	1.0
201.02502	7.9
202.02707	30.2
203.02286	32.6
203.99982	43.3
204.02740	11.0
205.00142	3.4
256.35916	1.9
256.85925	4.0
257.35864	1.8
267.87759	0.9
275.88669	1.4
276.88284	1.2
287.84830	1.4
296.33908	4.8
296.83759	5.6
297.33783	3.1
297.83527	2.2
346.03842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41699	0.3
59.01382	21.7
59.86172	0.4
60.01718	2.2
61.01809	0.4
61.98832	100.0
69.26781	1.4
71.00201	0.3
78.95905	4.4
96.96964	0.9
98.22626	0.8
107.03660	0.4
120.96950	0.6
123.04521	0.5
134.04720	2.1
148.04050	0.3
152.26973	0.3
157.03592	0.4
158.03690	0.4
159.03278	0.5
160.01590	0.5
161.01244	0.4
168.01495	0.6
186.12424	0.4
188.00861	0.3
201.02548	3.1
202.02751	10.1
202.98778	1.5
203.02289	11.6
204.00008	45.9
204.02670	3.1
205.00166	3.9
211.00122	7.7
287.05252	1.6
346.01126	1.0
346.05191	0.6
346.16373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10883	12.9
59.01374	100.0
65.69341	15.6
69.30029	62.1
69.36082	15.6
71.01377	25.3
73.02958	33.8
75.54102	13.3
84.64194	14.2
85.02946	20.1
96.96021	50.0
101.02422	21.7
134.04741	20.0
157.23222	14.2
347.17102	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03078	1.0
53.15955	1.1
56.34913	0.9
59.01380	9.2
61.98823	4.2
70.72586	1.9
71.01388	5.2
72.17675	0.9
74.02489	1.4
81.26640	1.3
82.06635	1.8
83.01403	1.3
85.02947	2.7
88.04048	2.1
89.02434	3.7
94.06600	2.2
95.00514	1.3
95.03769	1.4
95.05025	10.8
97.01665	1.3
101.02432	3.1
107.03787	3.1
110.02522	1.1
110.06113	91.5
110.38408	1.0
111.06446	3.5
113.02449	2.7
114.05569	1.2
116.05058	22.5
116.92835	1.3
118.06635	8.1
122.06118	96.8
123.06442	4.6
134.06104	1.2
144.04546	80.8
145.04973	3.6
146.06062	3.1
147.03246	1.2
149.04715	1.8
160.04114	1.4
161.04640	1.3
162.05605	67.1
163.06398	9.6
173.47404	1.2
185.02591	1.7
188.03529	5.3
194.04520	1.2
195.05356	1.9
212.40518	1.0
243.11418	1.2
255.11371	17.5
256.11688	1.5
267.11380	53.4
268.11670	5.2
273.12442	13.4
285.12430	100.0
286.12708	9.9
303.13495	23.7
304.13770	2.6
309.90900	1.2
312.15652	3.0
347.08160	1.3
347.12680	8.1
347.17093	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80920	0.3
55.01872	1.3
56.41462	0.3
57.03450	1.1
58.00587	0.5
59.01381	17.8
60.01723	0.3
61.98855	0.4
68.99831	0.5
69.03439	0.3
71.01382	11.4
71.43852	0.4
72.99316	0.4
73.02944	5.1
81.14475	0.3
83.01384	3.9
85.02955	7.2
86.00097	1.1
87.00884	1.0
89.02456	2.7
95.01382	1.3
96.96007	6.3
97.03004	0.5
99.00881	2.0
101.02446	11.7
111.00878	1.0
113.02454	3.7
119.03506	0.7
134.04707	0.6
135.03392	0.3
135.04427	0.6
155.10701	0.4
161.04611	0.6
167.10785	1.2
185.11833	8.9
186.12181	0.5
193.05037	0.5
208.32492	0.3
225.11258	0.4
287.96002	0.4
303.09045	0.6
323.06296	0.4
329.16049	1.3
347.17102	100.0
348.17453	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01379	100.0
60.01720	0.7
60.29060	0.5
61.19648	0.6
61.98807	0.6
63.43802	0.5
69.10497	3.8
71.01382	10.2
73.02956	3.5
83.01398	1.5
85.02956	4.9
89.02460	1.7
95.01390	0.9
96.96002	0.8
99.00872	0.7
101.02442	7.3
113.02445	3.8
120.01276	2.5
132.10213	0.6
143.10764	2.0
159.02937	0.6
161.04584	5.4
185.11871	2.9
201.10405	1.1
209.11914	1.0
227.12767	0.7
229.09909	0.9
241.09933	0.9
258.27161	0.8
267.11414	0.8
305.16095	5.4
319.13129	0.7
347.08032	1.5
347.12527	9.7
347.17209	2.9
348.12744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03440	1.1
59.01380	52.7
61.98824	1.2
69.69882	0.8
71.01382	25.6
71.01781	1.3
72.99313	1.1
73.02948	4.7
83.01389	2.4
83.05022	1.2
85.02956	8.4
87.00858	1.2
89.01929	1.1
89.02444	15.9
93.03429	0.7
95.01370	2.6
96.96046	1.0
97.02914	0.7
99.00880	1.2
101.02450	16.6
101.06112	0.5
108.02166	0.9
113.02443	8.8
119.03490	4.5
136.03961	0.8
145.05074	1.0
161.04506	0.6
167.10709	3.9
170.99847	0.6
173.04413	1.0
185.11844	2.7
201.10292	1.0
213.10315	0.8
229.09766	2.0
229.13379	0.6
239.11804	1.1
241.09915	0.8
257.09280	0.8
257.13116	0.7
267.11374	0.9
285.12332	0.8
301.11868	1.5
317.10342	0.7
319.12906	1.6
329.16171	0.7
347.12418	27.3
347.17020	100.0
347.24106	3.1
348.12650	2.4
348.17355	9.0
365.23663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03430	1.4
59.01382	18.2
60.48196	0.3
61.98818	0.6
71.01382	12.1
72.99303	0.5
73.02950	6.6
75.00825	0.5
77.58814	0.4
83.01384	3.4
85.02946	6.6
86.00080	0.6
87.00884	1.0
89.02422	1.8
95.01392	1.5
96.96013	6.5
99.00897	1.4
101.02439	11.9
101.43009	0.4
111.00890	1.2
113.02468	3.6
119.03477	0.7
135.03099	0.8
145.79631	0.4
150.01460	0.4
161.04608	0.6
167.10861	0.8
169.64932	0.4
185.11835	7.6
199.13422	0.5
213.01627	0.4
225.11409	0.7
236.39833	0.4
280.66663	0.4
329.16113	1.3
347.17096	100.0
348.17438	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03329	2.2
52.17366	1.9
61.98822	2.7
79.37473	1.9
79.69975	2.0
80.86398	2.1
83.25751	2.1
114.07189	2.2
195.15594	2.5
203.34094	2.2
258.83289	2.6
293.21164	3.4
303.26828	3.4
309.20898	3.6
311.22214	50.8
312.22540	5.8
329.24884	2.9
347.25891	100.0
348.26221	12.9
358.14188	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
69.15075	2.4
70.30317	0.4
86.57253	0.4
87.00874	100.0
88.01228	1.1
98.22551	0.7
107.65539	0.3
136.19632	0.4
194.15642	0.3
248.24701	0.4
305.20145	0.4
319.22656	1.1
347.22263	2.1
347.26169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72259	1.1
59.01382	8.6
61.98832	100.0
62.21765	1.2
65.13936	1.3
70.78379	2.4
71.01382	3.5
85.02940	4.9
89.02454	2.5
90.02789	1.2
101.02460	1.7
103.92057	1.8
118.99302	1.8
126.39816	1.3
147.06648	26.0
148.06995	20.9
151.53435	1.2
190.97783	3.2
191.05659	2.4
191.63300	1.4
203.99992	5.8
205.00049	1.8
205.99844	6.3
206.97382	2.8
217.95175	1.3
288.05634	1.9
289.02390	4.1
322.44388	1.3
348.09589	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97863	1.7
55.01872	2.8
57.03447	3.6
58.00625	1.8
59.01378	100.0
61.98825	7.2
67.50586	1.8
69.44971	7.1
71.01380	55.0
72.99300	1.8
73.02942	10.9
83.01383	5.7
85.02953	13.7
87.00879	3.8
88.04039	5.4
89.02444	51.3
95.01394	3.3
96.96001	5.4
98.22623	4.4
99.00863	2.9
101.02439	34.1
113.02451	23.1
114.05577	4.6
119.03487	18.5
130.08763	11.0
143.03513	5.8
161.04549	17.2
179.05605	6.6
187.13376	7.0
241.36511	2.0
274.56223	2.0
286.12738	2.4
305.16086	2.5
312.15530	11.6
319.85779	2.2
348.15854	5.9
349.09912	2.1
349.14679	6.6
349.18649	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91967	3.2
59.01384	100.0
61.02277	3.8
61.98827	7.3
69.34419	14.5
69.34793	6.5
71.01387	51.7
72.43181	3.4
73.02968	6.3
81.70643	3.4
83.01365	3.5
85.02954	17.4
88.04052	6.2
89.02448	45.0
95.01380	5.2
96.96021	9.0
101.02439	35.0
113.02475	20.0
114.05603	4.1
119.03512	22.1
130.08740	8.8
143.03511	6.1
149.04620	3.3
151.03976	5.0
151.53947	3.1
161.04533	15.0
179.05666	5.6
187.13437	7.3
305.16138	3.5
312.15753	7.3
318.14859	3.2
322.58676	3.6
348.15881	11.7
349.09723	4.4
349.14661	8.8
349.18735	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2543
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
69.13435	1.5
69.13839	1.5
70.25411	0.4
98.22732	0.8
102.31821	0.5
112.81895	0.4
134.82964	0.6
162.94710	0.5
174.05612	0.5
192.17563	4.5
247.35947	0.5
262.18109	2.0
304.22827	1.0
318.24487	1.1
348.25421	100.0
349.25726	12.0
349.63303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0594
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
55.07980	0.3
57.08523	0.3
59.01384	5.4
71.01389	1.9
71.06718	0.5
73.02941	0.9
79.95736	1.4
80.96514	1.1
81.81197	0.4
83.01397	0.5
85.02958	1.2
89.02444	0.9
89.99150	0.4
92.76136	0.4
93.04575	1.1
94.02950	0.7
95.95215	0.7
96.96009	93.4
100.11002	0.4
100.93375	0.5
101.02428	2.2
108.95522	0.3
113.02449	1.5
115.92086	0.6
116.92840	0.5
119.03500	0.4
120.08191	0.5
123.28876	0.4
129.01871	0.4
137.03462	0.5
138.05612	0.6
164.07182	0.7
171.22475	0.3
190.97673	0.5
241.00232	2.0
249.74989	0.4
289.12064	0.4
289.16437	0.4
331.13058	0.5
349.05957	100.0
350.06274	8.1
350.17062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19915	0.7
58.46124	0.8
59.01378	17.3
60.30043	0.7
62.61779	0.8
68.46883	0.7
68.99809	1.5
70.34570	0.7
70.39841	1.1
71.01354	1.0
103.01498	14.5
125.87384	1.1
126.88126	2.1
140.78551	0.7
204.05840	2.1
205.06584	1.7
217.06668	1.0
221.05989	1.1
231.04565	1.3
232.05281	3.5
233.06064	15.9
234.06841	2.6
235.04099	2.5
245.06073	2.7
246.06844	3.7
248.04781	1.1
249.05531	1.8
250.06450	1.7
260.04736	1.3
261.05521	16.8
262.03311	0.9
262.06354	10.1
263.03537	7.8
263.06415	1.3
274.06339	3.5
275.06873	1.0
276.04327	0.8
277.05020	3.8
278.05869	1.3
280.12946	1.9
289.04965	5.9
290.05807	11.6
291.03110	9.4
291.06125	1.5
292.03751	0.8
293.21249	2.3
305.04581	29.0
306.05161	8.9
307.06042	1.3
311.22324	6.0
319.02536	15.9
319.06006	0.7
320.02847	1.9
321.07889	1.0
333.04105	1.8
334.04825	57.0
335.05292	6.6
349.00421	3.1
349.07162	100.0
349.20010	2.1
350.07529	8.4
350.11786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18969	0.7
59.01375	0.8
69.62463	0.7
69.62802	2.7
71.01369	0.9
73.02942	4.6
98.21916	1.2
118.83555	0.8
174.54391	0.7
205.06584	0.9
232.05167	1.2
233.06082	10.8
234.06645	1.9
235.07251	0.8
261.05521	7.3
262.06387	3.5
277.05017	1.3
278.05783	1.9
289.05045	2.8
290.05768	2.1
305.04529	3.5
306.05319	44.7
307.05792	4.1
321.07764	1.0
334.04816	44.9
335.05093	5.3
349.07144	100.0
349.20114	2.1
350.07553	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	0.7
61.20323	0.6
61.98830	2.5
70.97692	0.7
71.01395	2.2
73.02966	0.9
82.46084	0.6
85.02968	1.2
89.02456	1.5
96.96026	1.0
101.02473	2.1
113.02481	0.9
114.67767	0.5
120.01301	0.9
163.31743	0.6
166.07285	0.5
171.24678	0.6
245.12424	0.7
263.13440	0.8
314.20731	0.7
349.14438	0.7
350.16861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.155
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
52.67519	0.9
53.95427	1.0
71.01363	1.3
75.00867	20.6
79.35363	1.3
105.58421	1.0
119.42506	1.2
124.79804	1.1
148.08965	1.3
163.11348	1.3
165.12827	19.7
166.13165	1.8
177.12872	1.7
188.13565	1.3
244.10789	1.7
247.20650	12.5
248.21016	1.7
273.18665	6.6
291.19653	57.2
292.19843	6.0
309.31339	1.1
313.17972	2.0
334.18045	1.4
349.15500	100.0
350.15845	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
50.03104	0.4
55.01881	0.8
56.88926	0.5
57.03431	1.0
59.01378	100.0
60.01704	1.2
71.01379	15.8
72.01752	0.5
72.21596	0.5
73.02938	4.5
75.00887	0.6
79.95741	3.8
83.01402	2.4
85.02946	7.0
87.00887	1.4
89.02436	7.4
95.01386	1.3
96.96000	2.6
99.00889	1.2
101.02449	12.1
101.03099	0.8
108.70673	0.6
113.02449	6.9
114.84703	0.5
119.03490	2.7
135.04527	0.6
143.03484	1.0
143.10750	0.7
159.03017	1.1
161.04547	5.6
169.12340	0.8
172.57835	0.5
177.05623	0.6
178.06369	2.1
185.58292	0.6
187.13388	2.8
193.08794	1.2
203.82304	0.5
204.70088	0.5
208.93059	0.5
237.07823	0.5
239.05637	3.7
254.08072	1.2
269.10394	1.3
307.17621	12.0
308.17981	0.8
349.06256	3.0
349.14005	0.9
349.18701	13.3
350.19171	1.0
371.34189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28701	0.3
59.01377	100.0
60.01717	1.1
61.33276	0.4
68.60566	0.3
69.11273	2.2
71.01369	2.3
73.02944	1.0
76.97879	0.3
82.98608	0.3
85.02953	1.1
92.40989	0.3
101.02437	1.9
108.55389	0.3
113.02459	1.1
129.46425	0.3
147.13759	0.3
159.03020	0.4
160.13004	0.3
161.04544	2.3
205.67593	0.3
289.16495	2.2
349.03580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01888	2.5
56.30190	0.5
57.03440	2.2
58.00596	1.1
59.01379	100.0
60.01704	1.1
61.98814	1.6
69.03455	1.0
70.88943	0.5
71.01380	66.7
72.01730	1.2
72.99307	2.1
73.02950	9.6
75.00877	0.6
75.62080	0.5
79.95739	4.6
80.96525	1.6
81.07097	0.7
83.01382	5.0
84.19691	0.5
85.02950	19.6
85.79330	0.5
86.02496	0.7
86.60662	0.5
87.00864	3.7
87.04506	1.0
89.02444	58.5
90.02762	1.1
95.01379	3.7
96.96008	37.4
97.02971	0.8
99.00879	3.7
101.02444	41.3
102.02812	1.0
105.57073	0.5
109.06548	0.7
113.02452	26.3
113.06116	1.1
114.02795	1.1
116.92875	1.0
119.03502	25.2
120.03862	0.5
125.02448	1.3
125.09726	1.6
128.03529	2.0
131.03488	2.9
133.06946	1.3
134.98708	0.6
138.97073	1.3
143.03500	5.1
149.04546	2.2
159.02985	2.1
161.04555	18.0
169.08679	3.2
171.07745	0.9
176.00513	0.6
179.05615	10.8
187.09865	0.6
187.13382	8.7
192.03412	0.6
201.44414	0.6
235.92606	0.5
236.02313	7.2
241.00183	3.3
261.41913	0.7
304.10825	0.6
349.06018	23.3
349.15039	2.6
349.18661	55.2
350.05704	1.0
350.09155	2.3
350.18936	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03451	0.8
59.01377	100.0
60.01732	0.7
70.12025	0.4
71.01389	7.0
71.42763	0.6
73.02953	1.9
83.01398	1.0
83.04970	0.5
85.02943	3.8
87.00967	0.5
88.86263	0.5
89.02462	1.1
92.05062	0.8
93.03436	0.5
96.96017	1.5
99.00902	0.6
101.02448	5.7
113.02451	3.1
125.09723	1.3
128.03546	1.3
136.04080	0.6
145.12259	0.5
161.04601	2.6
187.09830	1.6
237.55180	0.5
284.00800	0.5
289.16815	0.6
307.17599	8.5
331.04584	0.9
349.13794	1.4
350.12891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65354	0.6
55.01902	1.4
57.03453	1.3
59.01381	100.0
60.01713	1.5
61.98830	0.8
70.43172	1.5
70.86889	0.6
71.01386	17.1
73.02950	5.5
80.96534	0.7
82.25170	0.7
83.01403	1.5
85.02960	6.9
87.00901	2.3
87.11711	0.7
89.02447	8.5
95.01367	1.4
96.96017	4.4
99.00919	1.1
101.02448	14.2
113.02456	7.5
119.03522	3.0
141.09233	1.1
143.03557	0.9
143.10785	0.9
159.03049	1.2
161.04610	6.9
163.83522	0.7
165.58855	0.8
187.13472	1.6
307.17618	13.3
308.18011	0.9
343.34918	0.8
349.09402	0.8
349.13159	1.6
349.18753	10.6
350.19400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80336	6.5
59.01359	8.2
60.84228	7.6
69.54058	21.0
69.54449	19.6
104.74985	7.9
118.89236	6.3
139.08130	7.4
164.67508	8.2
183.56824	7.6
190.18721	7.9
276.74857	9.5
293.21194	48.9
311.22275	100.0
312.22650	15.8
313.23834	38.8
349.16824	19.7
355.74225	6.8
369.20676	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32044	6.3
69.83208	13.7
76.87641	6.0
113.21401	5.8
116.74816	6.0
132.50641	5.6
169.08041	6.1
211.13353	6.8
220.43753	7.4
251.53125	7.4
293.21170	11.5
311.22250	100.0
312.22504	11.6
313.23038	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42671	22.9
57.94440	20.8
59.01371	45.9
61.98837	23.0
70.36230	31.0
81.30946	17.8
82.56326	17.3
96.96016	31.1
132.10417	20.0
149.14471	22.3
180.06271	18.8
223.02827	37.3
291.09027	100.0
350.20551	23.4
351.17392	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	48.9
60.01700	4.0
61.98831	14.8
63.65519	1.2
67.01881	4.1
71.01378	5.5
72.99308	3.8
73.02921	1.5
83.01386	2.3
85.02944	10.5
96.96002	4.8
99.00871	1.9
101.02413	5.4
111.00878	100.0
123.39790	1.4
129.01921	2.7
130.08736	1.6
133.02968	8.8
139.88844	2.6
145.02922	2.4
148.90906	1.4
154.99864	12.2
161.04512	2.5
173.00902	31.2
173.04556	2.7
177.01900	2.7
183.87856	2.6
253.01401	1.9
314.20776	3.1
349.97815	1.5
351.11243	4.6
357.14740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	62.6
59.43538	22.7
60.44573	21.8
61.98832	37.5
71.01389	21.9
76.07667	21.9
88.88676	24.6
96.96017	29.0
111.00872	100.0
173.00885	43.9
193.04985	34.8
213.12318	21.6
307.17856	28.7
326.97629	26.9
331.85748	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
61.98828	1.7
67.01887	4.6
69.97353	1.9
71.01376	1.4
71.07023	0.5
72.99313	4.6
73.02949	0.6
79.95736	1.1
83.01400	4.2
85.02957	10.6
96.96004	0.6
98.29089	0.6
99.00887	1.1
101.02442	3.0
105.03459	1.5
111.00886	100.0
112.01225	2.1
113.02425	0.7
124.00704	1.2
129.01964	3.1
133.02945	4.2
149.97392	0.5
154.99870	14.7
155.01056	1.1
156.00206	0.6
173.00920	35.7
173.04491	1.1
174.01297	1.6
177.01961	1.4
209.11714	0.6
249.40154	0.5
307.12729	0.7
308.11517	1.3
321.05719	0.6
351.11801	1.4
351.20441	0.6
352.14380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28512	0.5
59.01382	15.1
60.32751	0.5
60.58375	0.5
61.98825	0.8
66.63492	0.5
67.01907	3.9
69.40988	2.5
71.01381	2.9
71.09917	0.5
72.99310	4.1
73.02945	0.8
79.16329	0.5
81.10395	0.6
83.01392	3.6
85.02956	11.8
89.02454	1.9
93.03535	0.7
96.96025	1.4
99.00867	1.1
101.02444	4.2
105.03471	1.7
111.00885	100.0
111.18875	0.5
112.01220	2.7
113.02400	1.1
119.03445	0.7
129.01924	2.1
133.02960	4.7
154.99864	14.4
156.00249	0.6
161.04564	1.4
173.00922	32.2
174.01241	1.2
177.01920	0.9
178.76764	0.6
189.15016	0.7
260.01929	0.5
286.42709	0.6
291.14291	0.8
295.93393	0.6
309.13452	1.3
311.05255	0.6
350.24493	0.7
351.10989	0.8
351.20230	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98824	13.3
64.17615	6.8
69.94677	21.6
71.01381	14.2
72.17328	6.5
73.02934	8.3
78.23253	7.6
85.02969	12.4
89.02435	16.7
93.03442	9.5
101.02435	10.9
101.53101	6.5
111.00885	25.4
111.04480	7.7
113.02448	13.7
122.06083	7.5
133.02985	49.5
136.07724	10.3
155.71259	7.6
161.04581	18.5
170.04561	6.6
173.04536	30.1
177.01891	22.0
192.95879	40.2
269.48611	6.6
277.19080	7.6
323.35712	7.4
351.08392	14.0
351.12875	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0873
Annotation	Semilicoisoflavone B
Peak:m/z	Relative Intensity
57.03441	0.3
58.02971	0.5
59.01373	1.4
61.92238	0.3
67.69622	0.4
69.19830	1.1
69.20251	1.0
71.01379	0.7
93.07000	0.3
98.21818	0.4
98.49989	0.3
108.75130	0.3
121.02944	0.4
127.07629	0.8
133.02916	0.4
139.11382	0.3
147.98361	0.4
165.12772	0.4
178.12434	0.4
192.95879	0.7
193.06572	1.7
193.08484	1.9
207.10081	1.0
219.10214	0.5
220.05299	1.0
220.14687	1.2
221.06044	5.8
221.11658	1.0
221.15442	2.3
222.06758	1.9
223.09509	0.9
231.10056	0.6
232.05371	0.9
233.06081	1.3
233.11626	1.4
235.07498	0.4
236.10512	1.7
241.14366	0.8
245.06065	1.1
246.06848	1.4
248.04724	2.8
249.05553	25.9
250.05971	3.2
251.03462	0.8
251.12621	1.0
260.04877	1.0
261.05505	1.7
262.06223	1.2
263.07101	4.5
264.04218	0.4
264.07742	0.8
265.05054	1.7
266.05688	0.4
273.05545	0.5
274.06387	1.1
275.03555	1.5
275.06961	1.0
276.04260	4.3
277.05029	21.2
278.05466	1.7
279.06564	0.6
281.04688	0.5
291.06628	6.6
291.19543	0.4
292.03818	1.0
292.07297	2.8
293.04556	11.7
294.04886	1.0
303.02975	1.9
304.03650	0.8
307.06204	1.9
309.04001	2.0
318.05389	0.6
319.06552	0.3
320.03250	13.5
321.03995	18.0
322.04465	1.7
331.18906	0.5
335.05585	31.1
336.06335	27.5
337.06775	2.2
350.23648	1.6
351.08731	100.0
351.21259	7.5
352.09085	11.9
352.13477	0.7
352.24979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76859	0.4
59.01353	0.7
70.68140	0.7
81.07066	1.0
83.05017	0.4
91.26608	0.4
93.03419	0.8
133.02890	0.9
143.07109	1.3
173.04526	0.9
176.06358	0.4
177.01720	0.4
191.05591	0.4
193.06528	2.7
203.04973	0.4
205.06598	0.8
220.05208	1.0
221.06058	7.3
222.06262	0.7
230.07326	0.9
231.04478	1.2
232.05238	2.7
233.06032	2.1
235.03999	0.5
235.07603	1.0
245.05977	2.2
246.06760	1.4
247.03926	0.5
248.04784	5.8
249.05553	72.4
250.05917	6.4
253.51056	0.5
258.54205	0.4
258.95917	0.5
259.04034	1.2
260.04773	4.3
261.05511	3.6
262.06308	3.2
263.03622	0.4
263.04507	0.5
263.07104	4.5
264.07767	1.5
265.05038	0.8
273.05530	0.5
274.06305	1.5
275.07104	4.5
276.04327	4.8
276.07303	0.8
277.05035	28.1
278.05350	3.6
281.04547	0.5
290.05789	0.8
291.06619	8.3
292.03870	1.7
292.07367	21.7
293.04581	12.4
293.07712	1.9
294.05020	1.2
295.06100	1.1
307.06100	6.6
307.09741	17.9
308.06860	12.5
308.10049	1.1
309.04144	0.8
309.07404	1.2
314.70157	0.5
320.03152	1.8
321.03992	6.2
322.04666	0.6
334.04932	0.5
335.05670	5.1
336.06369	47.8
337.06717	5.2
346.44031	0.4
350.23108	0.6
351.08722	100.0
351.21155	2.2
352.09058	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
71.07448	0.5
81.89921	0.4
90.29073	0.4
93.03448	0.6
102.59285	0.4
111.00912	0.4
118.59850	0.4
133.02940	0.9
135.04442	0.4
173.04558	0.5
177.01939	0.5
193.06569	1.9
197.31039	0.4
205.06615	0.9
220.05321	1.6
221.06108	6.1
222.06804	1.5
232.05301	1.2
233.06073	1.7
235.07695	0.5
237.05562	0.5
239.07143	0.6
245.06030	1.1
246.06793	1.4
247.07639	0.5
248.04774	3.9
249.05562	32.7
250.05927	2.7
251.03423	0.5
259.04041	0.6
260.04736	1.6
261.05573	1.6
262.06326	1.0
263.07074	5.6
264.04272	0.6
264.07767	1.1
265.05072	2.3
266.05722	0.9
273.05362	0.5
274.06387	1.0
275.03482	1.2
275.07098	1.1
276.04239	4.9
277.05066	26.3
278.05402	2.4
289.05142	0.6
290.05850	0.4
291.06656	8.5
292.03885	0.6
292.07297	2.3
293.04578	13.2
294.04993	1.3
303.03006	2.0
304.03809	0.8
307.06088	2.0
308.06522	0.6
309.04068	1.2
320.03229	12.9
321.04010	18.6
322.04480	2.2
335.05606	32.7
336.06339	30.6
337.06714	3.2
351.08731	100.0
352.09067	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01380	100.0
60.01696	1.5
61.98816	3.6
69.85715	1.2
69.86068	3.0
71.01386	27.9
72.00901	3.1
73.02946	1.5
82.77422	1.0
85.02951	7.1
87.00884	2.4
89.02448	35.2
93.03464	2.9
96.36152	0.8
101.02441	13.3
103.03996	1.3
105.03464	1.0
111.00864	2.8
111.04526	1.9
113.02450	9.1
119.03510	13.3
129.05540	1.5
131.03516	1.5
133.02983	8.0
136.04062	1.7
136.07649	1.4
141.98241	1.4
143.03476	2.6
147.04552	8.3
147.06628	18.9
149.04585	1.2
150.03255	1.2
150.94643	1.5
154.20454	1.0
158.03223	1.0
161.04552	4.8
164.07162	21.6
170.04543	1.1
173.00685	1.7
173.04559	9.8
177.01917	3.7
179.05588	10.2
191.05553	1.9
192.95897	4.7
208.93320	1.1
215.05553	1.5
308.12540	1.1
351.08093	2.1
351.12946	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26370	32.0
59.01359	66.3
69.63422	29.5
69.63764	88.8
111.14795	26.1
133.02998	67.7
147.20509	24.6
173.04491	26.0
195.11540	36.3
197.29292	23.8
249.05585	33.0
277.04990	36.4
299.16827	27.3
306.35455	31.7
308.20013	40.2
335.05591	33.7
351.04861	46.5
351.08698	100.0
351.21567	34.5
352.05807	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01379	100.0
60.01717	1.5
61.98823	1.2
69.34163	1.1
69.34554	1.4
71.01378	1.2
73.51443	0.6
85.02958	1.7
87.00933	0.6
89.02475	1.3
96.96021	2.5
101.02447	0.8
111.00885	7.7
133.01581	0.6
133.02948	1.4
135.04485	0.7
154.99954	1.9
173.00891	3.2
173.04593	1.6
176.50021	0.6
177.95647	0.6
180.87645	0.6
183.66725	0.6
222.07684	0.7
224.81931	0.6
249.13548	0.8
269.47849	0.6
351.11188	1.2
352.10440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46854	0.6
59.01379	100.0
60.01713	1.4
61.98829	2.8
63.10056	0.6
69.10213	0.6
69.88135	1.4
69.88464	0.8
71.01357	0.8
83.05032	0.8
83.47735	0.6
85.02968	1.7
87.00893	0.9
96.04563	0.6
96.96038	2.5
111.00880	9.7
113.58830	0.6
133.02969	2.0
135.04584	0.8
153.60349	0.6
154.99864	1.2
173.00932	2.6
173.04663	0.8
177.20825	0.6
193.05090	1.9
208.75995	0.6
211.13452	2.2
215.11087	0.7
227.11115	1.7
229.14359	0.7
245.12242	3.3
263.13293	1.8
268.13214	0.6
275.42746	0.6
287.02420	0.6
307.11960	1.3
351.11044	1.8
351.14880	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1703
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
51.50974	1.2
56.94825	1.2
59.01371	13.4
62.99055	1.1
63.11306	1.1
64.27131	1.2
65.09892	1.2
69.33733	6.7
73.97693	1.2
75.00868	25.3
95.05016	7.1
98.21822	2.5
127.87026	5.1
128.87810	8.5
175.74475	1.2
195.13892	8.2
196.14613	1.4
223.13399	6.0
228.41591	1.2
231.10214	2.4
233.15523	2.1
246.12367	3.5
275.20264	2.2
277.17996	3.3
278.11316	7.7
281.08896	1.4
291.19705	3.5
293.21201	47.2
294.21509	5.5
313.02936	3.8
314.07822	1.8
315.02676	3.7
315.25369	11.2
316.25952	1.8
351.00406	8.5
351.17081	100.0
351.21277	3.8
352.00620	1.2
352.17441	11.2
373.37921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	80.0
60.01719	0.5
71.01385	1.7
73.02954	0.8
83.01412	0.6
85.02958	1.0
93.03452	0.7
93.95071	0.4
98.21821	1.0
98.64456	0.4
101.02456	1.8
111.00876	0.6
118.99317	0.4
133.02974	0.5
160.01614	0.5
161.04524	1.0
175.03984	0.4
193.05069	0.7
193.06505	2.0
205.06561	0.6
220.05209	1.0
221.06052	6.0
222.06746	1.9
232.05214	1.0
233.05951	1.5
237.05582	0.5
245.05968	1.1
246.06775	1.3
248.04779	3.2
249.05540	28.1
250.05856	2.4
251.03426	0.7
260.04623	0.8
261.05490	1.2
262.06177	1.5
263.07132	4.2
264.07721	1.4
265.05093	1.8
266.05725	1.1
274.06339	1.4
275.03510	1.4
275.07065	0.9
276.04227	4.8
277.05032	24.8
278.05353	3.0
281.04639	0.7
289.05014	0.8
290.05734	0.6
291.06586	6.5
291.17941	2.7
292.03989	0.7
292.07285	2.2
293.04550	11.7
294.05130	1.8
295.06027	0.4
303.02914	2.2
304.03918	0.9
305.04324	0.9
307.06076	2.0
309.04047	1.4
319.05991	0.8
320.03217	13.4
321.03992	17.7
322.04413	2.2
323.05521	0.7
333.20715	0.8
335.05594	31.4
336.02078	0.5
336.06332	28.9
337.06711	3.4
351.08713	100.0
351.21588	1.6
352.05731	0.5
352.09039	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.45104	3.2
75.00858	5.6
86.43475	2.5
86.62723	2.4
89.50057	3.0
97.02948	5.8
119.08680	4.4
128.87781	3.3
171.10254	9.1
192.95811	3.8
223.13565	3.6
231.10178	3.1
273.18631	9.2
291.19638	44.6
292.20132	4.9
293.21237	14.5
309.20770	18.2
310.20990	3.4
351.17148	35.4
351.25443	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2174
Annotation	Sterebin C
Peak:m/z	Relative Intensity
59.01376	100.0
69.03431	1.4
72.90781	0.7
79.80846	0.9
96.10901	0.8
97.02937	3.5
98.22686	1.8
105.25787	0.9
116.33497	0.8
119.08649	1.1
125.09737	2.0
165.12837	3.5
171.10225	1.4
181.12253	1.2
197.11937	0.8
211.13373	1.9
231.10233	1.9
247.20618	1.4
261.01593	0.9
273.18460	3.1
291.19647	72.4
292.20038	7.6
309.20627	4.4
351.21765	1.5
368.90979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.36999	1.7
69.04321	1.9
69.86218	4.9
69.86559	2.5
87.47071	1.8
87.86295	1.8
90.91186	1.9
96.02179	2.5
109.06582	4.4
111.08149	14.6
121.45930	1.7
125.09747	4.2
135.08157	5.1
136.61192	1.8
151.11253	3.1
153.09224	14.5
169.12386	4.3
181.12418	3.2
197.11830	78.4
198.12120	3.4
199.13461	8.9
211.13359	14.3
231.10382	2.9
247.20685	3.0
273.18585	5.5
291.19656	74.6
292.19965	8.7
306.81503	1.8
309.20786	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2538
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
70.51472	0.5
91.83365	0.4
92.19673	0.4
95.23264	0.4
123.04481	0.8
124.05292	0.6
137.06020	1.3
151.07590	0.5
160.01729	0.4
165.09192	2.0
167.14322	0.4
170.51570	0.4
174.53990	0.4
201.11104	0.5
202.72627	0.4
207.13892	0.4
217.15950	0.9
242.98997	0.4
245.19151	0.9
248.31448	0.4
253.18254	0.5
263.03900	0.4
275.11508	0.4
279.19705	0.4
289.25314	2.3
307.26144	0.8
313.23788	1.8
315.23245	0.6
333.24329	100.0
334.24661	11.4
351.25385	37.1
352.25720	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
59.01359	1.9
62.18478	0.6
67.59642	0.6
69.07555	4.4
70.83335	0.6
96.96014	0.9
111.00892	1.0
123.04546	1.1
137.06102	1.1
139.04010	0.9
144.53239	0.6
162.10477	0.9
165.09213	1.6
167.14481	0.7
172.01578	0.7
217.15868	0.8
231.10196	1.0
235.17117	0.8
245.19035	1.6
289.25311	3.2
333.24326	100.0
334.24658	12.8
351.25385	21.6
352.25769	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86842	0.4
69.13563	2.2
98.22800	0.8
123.04531	1.1
137.06155	1.2
137.09782	0.6
165.09207	1.3
173.62706	0.4
179.53938	0.4
202.48784	0.5
217.15895	0.5
221.15489	0.6
245.19119	1.2
263.16345	0.5
289.25543	2.3
290.25644	0.5
307.26367	0.9
315.23233	0.6
333.24332	100.0
334.24670	11.4
346.52582	0.5
351.25369	21.2
352.25674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.2
63.42236	0.3
69.03384	0.3
69.40009	0.6
69.40402	0.9
73.36455	0.3
81.53921	0.4
84.65118	0.4
85.06593	2.6
96.96006	1.3
98.21827	0.7
111.00902	0.4
127.34794	0.4
149.90027	0.4
149.91310	0.3
184.00328	0.3
221.19099	1.9
231.10295	0.5
237.18611	1.4
247.17072	1.0
265.18082	18.0
266.18405	1.9
305.35690	0.4
315.23544	0.3
333.24377	3.6
349.23941	0.6
351.25385	100.0
352.25732	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45867	14.2
51.23107	12.7
56.11038	11.4
58.82876	10.9
59.01358	53.0
66.89052	15.2
87.04507	48.2
87.74280	13.1
100.67877	12.8
111.00862	18.8
125.75936	14.4
135.93420	13.6
180.85330	13.4
239.42540	14.5
263.23816	21.4
277.21677	86.4
289.25430	20.6
293.17667	26.0
307.26483	100.0
351.13135	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.05901	0.8
57.03431	0.9
59.01373	2.5
69.69433	2.4
69.69777	1.2
75.00861	5.4
84.73283	0.8
88.62865	0.7
96.97902	0.8
106.75256	1.0
165.09212	1.9
184.09065	0.8
192.95847	0.9
217.16046	1.1
245.19164	1.9
289.25439	2.7
333.24329	100.0
334.24677	11.6
351.21262	1.8
351.25403	26.6
351.29752	1.8
352.25693	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68641	0.2
51.58740	0.3
51.92592	0.2
57.03910	0.3
59.01365	1.1
60.16911	0.2
61.98821	0.4
65.11696	0.3
69.03457	0.9
69.65742	0.6
69.66099	0.5
71.01381	1.0
73.02956	0.4
85.02943	1.2
87.50233	0.3
93.03445	0.5
96.95992	0.4
98.22625	0.5
99.00828	0.4
101.02416	0.5
111.00866	1.4
112.01250	0.3
113.02441	0.4
131.03783	1.1
135.04565	0.5
144.04552	5.2
146.06117	100.0
147.06473	4.3
154.99837	0.3
161.04576	1.2
173.00970	0.4
173.04529	0.8
179.03586	0.5
185.00902	0.3
190.05096	20.2
191.05602	8.8
308.11346	1.5
352.10367	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1037
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
59.01381	1.1
69.03460	1.0
69.54531	0.5
69.54917	0.4
71.01382	0.8
73.02921	0.3
74.82994	0.2
85.02945	0.4
94.10026	0.2
96.95972	0.3
97.02973	0.2
99.00862	0.5
101.02458	0.5
106.53865	0.2
111.00880	0.8
113.02419	0.4
116.61929	0.2
124.00711	0.2
131.03775	1.6
140.29430	0.2
144.04553	6.2
146.06117	100.0
147.06461	5.1
161.04533	1.0
173.00928	0.3
174.56476	0.2
185.00957	0.4
190.05095	19.9
191.05576	2.3
308.11438	1.0
319.03934	0.2
325.61755	0.2
352.10345	4.0
353.10855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52609	1.2
53.10743	1.2
57.03421	2.0
59.01379	24.4
61.98814	4.2
67.01897	2.1
71.01379	8.7
74.02481	1.6
83.04990	1.4
85.02946	17.4
87.04520	2.0
89.02428	10.2
93.03452	11.5
99.04569	1.5
101.02471	7.8
101.06075	4.0
103.04030	7.8
111.00893	9.8
111.04540	1.8
111.72050	1.7
113.02437	3.3
119.03480	5.3
127.04023	3.3
133.02934	1.7
135.04533	23.9
143.03583	1.7
147.06631	100.0
148.06950	2.4
152.91692	4.4
161.02409	2.6
161.04507	2.5
173.00905	2.0
173.04550	41.5
179.03476	22.5
179.05583	7.1
191.05597	62.0
194.92833	2.7
194.95572	2.5
293.12369	2.0
310.90881	1.6
326.24911	1.5
334.49756	1.6
352.91409	3.2
353.08911	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1765
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
57.03432	0.4
58.02973	2.9
59.01374	0.8
61.98793	0.3
69.48900	0.9
73.02946	0.9
80.05046	0.2
81.03460	1.9
81.95532	0.3
82.06596	0.3
83.05009	1.1
84.02178	0.3
85.02953	1.0
91.71400	0.2
93.03436	0.2
95.05027	1.8
97.02977	0.3
97.06593	0.5
101.36808	0.2
109.06592	0.9
110.09760	1.4
123.04517	1.0
128.10820	9.4
129.11197	0.5
130.08736	100.0
131.09074	3.4
135.08162	2.0
149.06068	0.3
151.11322	0.5
152.07109	0.4
154.08713	2.2
156.06619	0.4
159.08134	0.3
172.09785	3.0
173.04558	0.2
177.09222	1.1
179.07153	0.7
181.08711	1.0
221.08238	0.5
231.17537	0.3
243.17509	1.3
246.18640	1.5
254.13799	0.3
261.18558	2.0
279.19739	0.6
290.17603	2.8
306.45023	0.2
308.18671	13.3
309.19061	1.3
334.16577	5.8
335.16910	0.6
352.17633	39.2
353.17966	4.8
353.23248	1.5
355.67212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17061	0.6
59.01380	12.8
61.98824	2.2
67.01890	5.9
69.03437	0.6
69.45124	2.8
70.05050	0.6
71.01371	1.8
72.99306	4.6
73.02955	1.6
83.01386	2.9
85.02956	21.7
87.00887	1.4
93.03462	8.2
99.00888	1.5
101.02438	2.3
109.02987	0.8
111.00884	100.0
111.04509	1.4
112.01213	3.4
113.02467	1.2
117.01967	1.9
127.04028	0.7
129.01952	4.8
132.54391	0.6
133.02994	0.8
134.03749	2.5
135.04532	29.4
136.04865	0.9
137.02437	2.2
147.06523	0.8
154.99878	13.4
155.01044	1.0
155.03545	1.6
161.02441	1.8
172.99411	1.2
173.00920	31.7
173.04552	31.8
174.01282	0.9
174.04935	1.1
179.03505	26.8
180.03796	1.5
191.01978	18.9
191.05626	24.8
192.05957	0.8
198.69589	0.6
199.74678	0.6
293.16168	1.4
348.85507	0.6
353.08682	5.9
353.12701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0664
Annotation	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
53.35831	0.7
59.01360	0.7
60.49807	0.8
65.00288	0.7
68.99811	1.8
69.17648	0.6
69.50912	2.1
69.51301	1.5
78.89500	0.7
82.00656	0.7
91.01891	8.6
92.02689	1.1
93.03437	5.5
98.00084	0.8
108.02180	7.3
109.02975	6.8
117.03460	45.4
118.03786	1.9
119.05018	3.6
120.02181	6.0
121.02959	10.6
123.00877	1.5
125.81143	0.8
129.86940	0.9
131.05011	0.9
132.02248	1.1
133.02962	0.8
134.03716	4.2
135.04501	0.8
136.01645	3.4
145.02956	11.8
146.03758	4.4
147.04475	2.0
148.01662	2.9
153.98030	0.7
159.04521	1.8
160.01645	1.2
161.02435	36.6
162.03239	8.8
165.01978	1.1
170.22589	0.7
173.02557	0.9
174.03236	4.7
175.03905	1.9
189.01932	65.1
190.02684	15.4
191.05563	1.0
194.02139	1.9
203.03436	0.9
217.01416	11.7
218.02188	96.2
219.02499	5.0
239.07146	0.8
251.07106	1.1
281.08310	2.4
297.07669	1.6
308.24850	0.7
309.07535	1.2
323.05447	1.0
324.06363	2.2
325.07169	6.7
338.08017	0.8
353.06650	100.0
353.23212	2.3
354.06943	11.1
371.62741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
56.22541	0.9
57.03410	0.9
59.01375	3.9
60.30402	0.9
61.98804	1.0
62.91753	0.8
67.01891	4.2
67.14217	0.8
69.03430	1.5
69.60908	1.9
69.61286	1.7
71.01370	4.6
78.50670	1.2
81.03452	1.3
85.02960	11.0
87.00883	2.2
93.03455	33.5
97.22100	0.9
98.21860	1.0
107.05056	1.8
109.02968	1.4
111.00854	4.5
111.04524	7.3
127.04017	3.4
133.02890	2.1
134.03749	3.3
135.04520	79.4
136.04839	3.9
137.02463	5.2
155.03532	6.8
161.02417	3.9
173.04541	100.0
174.04868	3.8
179.03490	66.9
180.03854	4.0
187.02861	0.9
191.05597	52.0
192.05927	1.9
226.73151	1.1
245.95718	0.9
305.96204	0.8
353.08710	13.9
354.08978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51683	0.3
59.01372	1.8
61.98825	0.3
67.01893	0.7
70.97343	0.5
71.01385	0.9
71.30888	0.3
71.72198	0.3
73.02937	0.5
83.05016	0.7
85.02946	9.1
87.00880	1.9
93.03457	4.9
109.02959	1.3
111.00876	1.5
111.04496	1.1
127.03999	2.2
133.02931	0.7
134.03714	0.5
135.04521	7.5
136.04903	0.5
137.02415	0.9
144.81776	0.3
148.55109	0.3
152.83371	0.3
155.03452	0.5
161.02383	2.0
171.02966	0.8
173.00981	0.4
173.04558	8.0
174.04950	0.7
179.03490	5.7
180.03908	0.3
180.48204	0.3
191.05602	100.0
192.05948	3.8
230.19783	0.3
353.08789	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1029
Annotation	Castillene C
Peak:m/z	Relative Intensity
59.01372	1.0
68.75656	0.6
71.01368	1.6
89.78541	0.7
98.21859	2.1
115.05521	2.7
121.02958	2.4
121.06638	0.9
126.48157	0.6
127.82802	0.6
128.14337	0.6
130.04254	1.9
131.05037	11.5
134.95616	0.8
136.01651	5.1
143.05046	1.3
145.06570	11.2
147.00883	4.4
151.03995	10.2
153.05537	3.6
158.03737	13.4
159.04514	29.9
160.04842	2.0
162.03152	1.0
163.03961	1.5
173.06065	18.4
174.06847	42.6
175.07234	3.2
177.05629	1.0
179.03485	0.9
185.72655	0.6
189.05600	0.9
203.03493	19.4
204.03801	1.4
218.05830	16.0
223.89537	0.7
233.11720	0.7
281.02768	1.3
338.08017	10.8
339.08472	1.1
353.10294	100.0
354.10696	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02535	3.2
59.01379	100.0
60.14340	3.4
61.08480	3.5
61.98823	6.1
70.74121	3.7
78.86319	3.5
85.02985	3.9
85.94369	3.6
93.80168	4.6
96.96008	7.9
98.21781	7.4
105.66887	3.5
111.00868	4.7
116.92934	4.0
146.08203	8.1
153.05583	4.2
158.03737	3.8
161.13393	7.9
174.06874	4.6
179.03493	5.5
191.05571	13.4
205.12302	34.5
353.10104	17.1
353.16217	6.4
354.19412	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87875	0.4
56.68550	0.3
70.56939	0.3
76.63158	0.3
79.03564	0.4
79.95733	0.4
84.93851	2.6
96.96014	2.9
99.92584	16.4
100.92639	0.9
100.93377	2.2
115.92093	3.0
116.92858	100.0
117.92871	5.6
152.21796	0.4
223.20624	2.5
309.15250	0.8
341.14203	0.8
353.14233	13.0
353.19940	2.6
354.14389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59919	0.9
57.14872	1.1
58.02972	8.2
59.01387	4.9
61.98809	1.3
64.28130	1.0
69.98682	1.5
69.98996	2.0
70.09361	1.0
71.01363	2.4
73.02950	1.4
81.59394	1.0
84.94396	1.2
85.02954	1.3
89.02422	2.8
93.03461	1.2
98.22656	1.5
101.02370	1.1
113.07240	1.3
114.05630	1.2
129.10344	3.3
131.08257	30.8
135.04482	2.0
163.89882	1.0
173.04489	3.2
173.09308	100.0
174.07695	4.1
174.09642	3.4
191.05646	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1864
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
55.90214	0.9
59.01374	3.9
69.41264	3.2
70.05181	0.9
75.00870	14.1
98.22617	2.1
113.09733	1.6
157.03239	1.1
195.13898	13.0
244.76599	1.1
248.81662	0.9
277.21674	9.7
295.22772	48.7
296.23279	4.7
298.03946	1.0
317.20984	3.1
353.18640	100.0
354.18927	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	49.9
63.36833	40.9
69.85151	100.0
69.85484	61.9
71.40884	41.2
118.39046	46.3
121.02990	40.7
194.95883	50.4
259.03485	49.5
271.22751	49.8
353.22910	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.9
61.01009	1.3
61.98828	6.1
69.03461	1.1
71.01362	1.1
71.46492	0.9
73.02949	1.1
77.63947	1.0
83.05028	1.4
97.06581	1.5
106.39157	1.2
109.06617	1.7
110.55431	1.2
111.08154	28.7
111.21364	1.0
127.07664	2.3
151.11266	1.0
153.09201	1.1
153.12802	1.8
167.10783	1.1
169.12341	6.0
181.12343	2.9
183.13840	2.1
185.15440	5.4
188.50813	1.0
197.11823	89.5
198.12119	3.3
199.13370	2.8
211.13383	19.1
227.12891	2.0
251.16451	1.5
263.20160	2.3
265.18152	2.3
265.83255	1.1
273.18604	2.4
291.19626	25.3
292.19937	3.7
303.14713	2.7
309.20700	100.0
310.21033	11.7
315.97586	1.0
318.17114	3.1
353.19614	19.9
353.23395	1.4
354.20081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15471	0.9
57.03434	2.1
58.00590	1.4
58.25677	0.8
58.26961	0.8
59.01361	2.3
69.03440	1.3
69.71639	1.7
69.71984	2.0
70.72079	0.9
73.02909	1.1
82.45615	0.7
83.05019	1.7
93.07071	1.6
97.06580	2.1
109.06583	1.5
111.08152	25.6
127.07628	2.6
131.98581	0.8
137.09673	1.3
151.11279	2.5
153.09282	1.1
153.12811	1.7
167.10715	0.9
169.12343	8.0
171.10277	2.8
179.10803	1.0
181.12325	4.7
183.13873	2.3
191.05565	0.9
193.12334	1.5
195.13759	0.8
197.11815	88.7
198.12119	7.1
199.13403	3.6
211.13390	23.2
212.13727	1.6
227.12880	1.0
247.20413	0.9
251.16702	1.2
263.20102	4.6
265.18152	2.3
273.18759	1.2
276.09329	1.0
291.19669	25.5
292.19940	2.1
309.20694	100.0
310.21017	12.2
353.19641	34.0
353.23108	1.9
354.19943	4.1
354.26666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.28976	0.2
71.05004	0.3
71.21069	0.2
86.70271	0.2
96.96001	0.8
107.05015	0.2
127.11240	0.4
147.08121	0.3
163.11282	86.7
164.11613	5.5
169.12311	1.6
177.09203	67.7
178.09547	4.0
190.10007	0.4
191.71396	0.2
222.08983	0.4
238.74417	0.2
255.89104	0.2
353.21194	100.0
354.21527	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2334
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
57.03449	2.2
59.01401	3.9
69.03477	1.8
71.01376	5.0
71.94634	1.7
72.20171	1.8
73.02975	1.9
74.74088	2.0
83.05041	1.9
84.02174	1.9
85.02979	1.7
95.05032	2.8
97.02969	4.3
97.06605	3.7
99.08162	2.4
111.08139	2.8
115.07655	2.8
125.06052	3.1
125.09772	2.5
127.07667	13.0
137.09723	3.9
139.07671	3.5
143.07143	4.1
153.09219	8.4
155.10803	4.9
161.28194	1.6
171.10303	9.5
173.73991	1.6
178.10016	2.2
191.05611	3.4
193.50868	1.7
199.13385	8.1
209.11842	5.8
213.14957	14.3
225.14925	12.6
235.13455	2.8
237.14944	69.9
238.15382	4.3
266.15222	7.1
284.16177	2.6
291.19604	14.1
292.20099	3.0
309.20749	16.4
309.24130	3.6
317.21219	14.1
335.22272	100.0
336.22641	13.9
353.19415	7.0
353.23685	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2696
Annotation	Methyl acetyl ricinoleate
Peak:m/z	Relative Intensity
57.95846	0.7
63.28606	0.7
69.20657	4.5
71.04992	0.9
79.95746	4.7
90.21216	0.7
95.95225	0.8
96.68777	0.8
96.96008	37.6
110.59563	0.8
122.97533	2.1
129.88031	0.7
181.03778	0.7
191.05580	1.2
195.17473	2.5
219.85721	0.7
228.11884	0.8
239.16406	0.8
255.19647	100.0
256.19916	9.8
279.23291	4.7
285.05435	0.9
311.25906	75.5
312.26236	8.6
353.20035	48.1
353.26794	20.0
354.20456	4.1
354.27414	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95846	0.7
63.28606	0.7
69.20657	4.5
71.04992	0.9
79.95746	4.7
90.21216	0.7
95.95225	0.8
96.68777	0.8
96.96008	37.6
110.59563	0.8
122.97533	2.1
129.88031	0.7
181.03778	0.7
191.05580	1.2
195.17473	2.5
219.85721	0.7
228.11884	0.8
239.16406	0.8
255.19647	100.0
256.19916	9.8
279.23291	4.7
285.05435	0.9
311.25906	75.5
312.26236	8.6
353.20035	48.1
353.26794	20.0
354.20456	4.1
354.27414	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48987	0.4
57.03457	0.4
59.01384	5.9
61.98805	0.4
63.54756	0.4
69.28871	1.8
71.01364	0.6
73.02942	1.2
75.00862	1.0
85.02940	0.8
87.43813	0.4
98.22689	0.7
101.02445	57.6
102.02761	1.1
111.75683	0.5
113.10524	0.5
119.03506	7.6
134.03741	9.1
137.02330	0.5
149.06070	2.1
162.02666	0.4
162.89430	0.4
163.06123	100.0
164.06451	1.7
164.07150	3.3
178.02736	3.8
178.63919	0.4
186.12535	0.5
191.02171	0.4
191.05589	0.4
193.05070	11.2
223.87849	0.4
242.12808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
65.76607	0.4
70.57973	0.7
70.58308	0.6
73.02939	1.0
75.00889	0.5
101.02450	63.8
102.02809	1.5
119.03511	7.4
134.03749	5.3
149.06076	1.4
163.06134	100.0
164.06400	2.1
164.07202	3.2
178.02724	1.8
193.05064	5.8
310.66870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06399	0.8
57.35073	0.6
59.01388	3.5
69.08088	1.5
69.08498	3.9
84.82480	0.6
95.65242	0.8
96.96014	1.5
98.22275	3.9
101.02440	60.6
102.02784	1.9
111.00861	0.9
119.03495	9.9
151.07739	0.7
163.06117	100.0
164.05205	0.9
164.06441	2.9
164.07393	1.2
185.51239	0.8
191.29738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32985	1.3
56.32307	1.3
58.02986	1.6
59.01379	13.9
60.76077	1.2
61.98835	13.0
69.03474	1.8
69.47258	2.8
69.47628	2.3
71.01389	4.9
72.99302	2.0
73.02959	3.7
75.00867	2.7
81.03465	2.0
85.02951	7.4
87.00872	2.2
95.05046	1.4
98.39368	1.4
99.00890	2.2
101.02428	5.2
111.00871	12.4
112.01218	3.3
113.02426	1.8
114.09269	3.8
116.07180	86.5
117.03457	6.4
117.07548	2.3
119.03529	1.7
123.04503	1.6
128.06216	1.5
133.02917	2.0
134.03748	77.3
149.06088	7.7
154.99860	1.9
156.00266	1.7
158.08249	5.1
161.02448	20.1
161.04578	4.9
163.06123	3.4
173.00891	4.0
174.01259	2.6
178.02612	1.6
179.05666	6.0
186.52576	1.4
191.02003	4.5
192.02364	4.1
193.05064	100.0
256.11929	1.8
267.60782	1.5
292.15460	1.6
310.16580	9.7
354.15576	28.4
355.10303	4.9
355.15576	2.3
373.48993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53219	10.2
55.99225	11.7
58.02978	30.0
59.01378	60.9
69.84694	39.2
73.02957	15.7
98.22639	23.2
126.05556	14.9
132.20151	11.8
144.10367	15.7
146.08218	36.8
150.19112	14.5
163.97849	11.4
170.08205	24.4
243.45657	13.5
254.35498	11.5
276.16486	12.2
346.06073	12.2
354.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.5
58.02975	41.1
59.01379	23.2
61.98836	5.5
69.44876	4.2
69.45254	3.2
71.01360	2.5
71.05000	3.7
75.00861	3.7
85.02965	1.6
95.05038	1.7
96.96003	3.3
98.06123	2.6
100.35365	1.7
101.02411	2.5
111.00900	1.9
114.09277	2.9
116.07176	28.3
119.92549	2.0
126.05608	23.6
126.09238	7.6
128.07196	3.8
134.03810	3.5
144.10306	20.1
146.08229	78.8
147.08569	1.8
151.07587	1.6
155.24203	1.6
158.08195	2.1
161.02481	3.8
163.11339	1.9
170.08221	17.6
173.00867	2.0
179.05630	9.6
193.05029	5.3
222.11368	4.5
256.16867	1.6
269.10248	2.3
310.16568	3.2
310.50189	1.7
336.18143	5.8
354.15582	8.2
354.19235	100.0
355.19333	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1922
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
50.68133	0.8
53.44146	0.7
54.84278	0.8
57.03423	1.3
58.02978	45.7
59.01379	2.9
61.98840	0.9
69.69965	1.7
70.13082	0.7
71.05022	3.1
72.00918	1.2
83.05026	1.4
85.02954	0.8
89.27943	0.8
95.05032	2.6
98.00120	1.7
98.06144	2.2
104.03556	0.9
125.09745	2.2
126.05620	27.4
126.09259	5.8
128.07198	5.3
128.10825	3.4
130.08743	28.6
144.10310	19.3
146.08235	75.1
147.08534	2.6
159.30978	0.9
170.08231	25.1
171.08621	1.0
171.10291	1.8
172.09802	2.3
188.09360	1.4
190.05099	1.5
193.03197	0.8
193.05077	2.0
205.15974	1.7
223.17065	1.4
225.11288	0.9
231.13893	1.0
249.14909	2.0
265.45367	0.9
287.60699	0.8
311.14966	3.4
315.94733	0.9
336.18250	5.4
343.03757	0.9
354.19244	100.0
355.12323	1.3
355.19559	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73697	0.8
57.03432	1.4
58.02975	52.6
59.01376	14.7
59.03303	0.8
61.98825	2.7
66.14025	0.9
70.61780	1.3
71.01387	1.8
71.05011	2.0
72.00909	1.1
72.04531	1.0
73.02959	1.4
75.00877	3.9
81.03456	0.9
83.05017	1.6
85.02961	1.8
95.05031	1.0
96.96004	1.3
97.02987	1.0
98.06104	4.0
100.07707	0.9
101.02450	1.6
101.68324	0.8
104.97963	0.8
111.00893	2.0
112.01174	1.1
114.09243	4.3
116.07178	45.4
119.53130	0.8
126.05609	31.0
126.09267	8.4
127.06009	1.5
128.07181	5.9
134.03723	3.9
142.08707	0.9
143.03563	1.0
144.10312	18.3
145.10641	1.3
146.08232	90.9
147.08484	2.9
158.08218	4.2
161.02466	4.0
170.08228	22.3
179.05592	10.5
188.09253	1.3
191.01894	0.9
193.05057	3.0
222.11281	4.4
225.11324	1.8
240.12344	1.1
310.16528	5.6
311.16617	0.9
336.14575	1.6
336.18198	4.8
354.15494	12.0
354.19235	100.0
355.15778	1.0
355.19498	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
58.02976	40.2
59.01375	1.9
61.98827	0.6
67.01202	0.5
69.36066	1.7
69.36475	1.2
71.05013	2.9
72.00912	1.3
83.05035	1.5
85.02945	0.8
95.05062	0.8
96.95992	1.2
97.02972	0.5
98.06133	1.9
100.07681	1.0
102.37493	0.5
105.03541	0.8
126.05614	11.1
126.09259	5.5
127.03997	0.9
128.07169	2.7
130.08742	1.8
133.02963	1.6
134.03743	1.0
142.08749	1.1
143.20036	0.5
144.06685	0.8
144.10304	14.0
145.10735	0.6
146.08235	100.0
147.08626	2.8
152.07169	0.5
160.36479	0.5
170.08232	9.5
177.01956	1.0
184.03841	0.5
188.09293	2.8
190.05118	0.6
193.05002	2.5
225.11334	0.8
227.84129	0.5
336.18103	1.2
354.19208	93.2
355.19662	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03444	12.0
59.01374	12.2
68.48076	0.7
68.99825	1.0
71.01380	6.1
71.42244	1.2
72.99295	2.1
73.02943	1.1
75.00872	2.1
82.89447	0.7
83.01392	2.4
84.02174	1.2
85.02944	100.0
86.03300	1.5
87.00875	1.4
89.02444	2.3
99.00879	1.2
101.02466	1.7
103.00402	1.2
111.00878	0.9
115.00381	1.3
116.07230	0.9
119.05004	2.8
124.37432	0.9
129.01949	9.3
131.04518	0.8
133.01422	2.3
134.03735	3.2
147.02998	8.5
163.04015	1.9
173.00902	1.9
178.02759	1.1
191.01970	28.7
191.05580	1.7
192.02193	0.7
193.05052	3.0
209.03001	50.0
210.03354	1.9
212.86595	0.8
294.74026	0.8
355.06412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03444	12.0
59.01374	12.2
68.48076	0.7
68.99825	1.0
71.01380	6.1
71.42244	1.2
72.99295	2.1
73.02943	1.1
75.00872	2.1
82.89447	0.7
83.01392	2.4
84.02174	1.2
85.02944	100.0
86.03300	1.5
87.00875	1.4
89.02444	2.3
99.00879	1.2
101.02466	1.7
103.00402	1.2
111.00878	0.9
115.00381	1.3
116.07230	0.9
119.05004	2.8
124.37432	0.9
129.01949	9.3
131.04518	0.8
133.01422	2.3
134.03735	3.2
147.02998	8.5
163.04015	1.9
173.00902	1.9
178.02759	1.1
191.01970	28.7
191.05580	1.7
192.02193	0.7
193.05052	3.0
209.03001	50.0
210.03354	1.9
212.86595	0.8
294.74026	0.8
355.06412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01381	2.6
66.99892	0.4
69.82902	1.6
71.01389	1.8
76.04408	0.4
82.03016	0.4
85.02966	0.7
89.02427	0.9
101.02431	1.0
106.04259	0.5
114.05609	0.4
119.03519	0.7
121.02942	1.1
122.31505	0.5
128.03485	0.6
132.02164	2.6
132.10649	0.4
133.02972	2.2
134.03743	72.9
135.04071	2.7
137.02458	3.7
139.04019	1.7
140.30020	0.5
147.04523	0.6
149.02461	3.3
149.06084	17.0
150.03195	0.7
150.06352	0.8
160.01659	12.1
161.02008	0.9
164.04810	2.9
164.06149	0.6
168.92386	0.5
175.04004	18.4
176.04393	0.9
178.02711	31.5
179.03069	1.8
179.07185	1.7
191.07184	0.7
193.05057	100.0
194.05373	6.0
194.42181	0.5
217.05042	1.4
223.06114	1.0
223.11005	0.6
225.79556	0.5
235.06174	0.5
355.10425	3.5
356.17529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.53333	0.7
54.88419	0.6
56.55664	0.7
57.03451	0.7
58.02977	2.2
59.01377	8.8
61.44107	0.6
61.98818	1.4
63.21060	0.6
69.07243	4.5
69.07545	1.2
71.01375	6.8
71.05021	3.5
72.99318	6.0
73.02943	5.9
75.00874	25.7
81.03458	5.5
85.02984	2.1
87.00893	3.2
89.02442	2.1
89.03983	1.7
90.98591	1.1
96.96001	1.2
97.02945	0.7
99.00893	7.9
99.04517	6.4
101.19398	0.8
106.06631	22.6
108.08178	1.0
109.02956	1.3
117.03484	8.4
121.02948	0.9
122.06114	1.3
123.04569	0.7
125.02391	0.7
128.03534	7.0
128.10844	1.8
130.08746	30.2
131.09061	3.4
133.02937	0.9
134.03746	88.4
135.03154	0.7
135.04059	3.9
137.02451	1.0
143.03494	8.9
146.08247	2.5
147.08522	1.0
149.06111	7.1
150.05595	10.4
152.07184	1.8
158.02533	1.0
161.02446	2.0
161.04575	15.0
161.05820	0.5
164.07201	1.6
172.09785	1.7
175.03992	1.5
178.02667	1.4
179.05617	66.0
180.05934	3.0
183.08046	0.7
190.05099	2.2
192.06682	1.2
193.05057	100.0
194.04659	3.4
194.05286	3.4
196.05342	1.2
197.06180	0.9
209.05989	1.2
211.07623	2.5
221.06024	1.3
223.07715	1.0
224.04839	1.3
225.05484	0.8
236.05682	0.9
239.07156	4.0
266.06033	0.9
267.06543	7.1
268.06970	1.0
296.07651	0.8
354.19205	2.2
355.10260	14.2
355.17917	5.0
356.09982	2.8
356.20911	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1189
Annotation	Cudraflavanone B
Peak:m/z	Relative Intensity
50.78406	0.9
59.01389	3.2
59.67822	0.9
61.28191	1.0
69.25563	4.2
69.25966	2.1
69.58875	1.0
82.68086	1.0
85.02952	1.3
108.02193	1.4
119.05033	4.2
120.99674	2.6
121.02985	1.6
130.08740	1.3
147.04526	12.4
149.02475	1.9
150.03227	3.0
161.06104	1.5
164.04947	1.4
165.05516	1.9
171.10237	1.4
174.03242	1.2
175.04015	83.6
176.04799	52.8
177.05246	3.6
189.05659	5.9
190.06380	39.2
191.06903	2.2
203.03624	1.0
204.04286	16.0
208.03773	11.7
217.05046	14.5
218.05855	11.8
219.06624	37.6
220.06978	2.9
222.05318	17.6
223.05794	1.3
223.07753	1.2
231.06711	1.6
234.06786	1.5
235.07562	2.3
237.05598	1.4
251.07080	2.3
267.06625	6.4
268.07361	1.9
275.16711	1.2
278.05893	1.2
279.06641	15.9
280.06985	1.7
281.00906	1.4
291.06613	4.5
292.07376	2.3
293.08051	1.4
294.08987	2.6
295.06119	17.4
296.06863	12.2
297.07520	1.9
306.08966	3.8
307.06149	18.1
308.06610	2.0
310.08557	9.9
311.09259	15.6
312.09644	2.2
322.08499	11.1
325.10788	18.4
326.11084	1.4
327.12390	2.0
337.10849	14.0
338.11356	1.4
355.11880	100.0
356.12161	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1582
Annotation	Dipegine
Peak:m/z	Relative Intensity
60.52392	0.7
69.99784	0.8
70.10588	1.1
70.10914	0.8
74.45921	0.8
84.93874	8.2
99.92585	48.4
100.92603	2.6
100.93358	17.6
101.93390	1.4
107.73814	0.7
115.92084	16.6
116.92861	100.0
117.92879	4.9
117.93607	1.0
166.67517	0.7
225.22227	1.6
262.11938	0.8
311.16898	1.9
325.14838	1.0
343.15994	1.5
344.15756	0.8
355.15823	56.2
356.15958	9.4
356.19867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01367	2.5
83.80508	0.8
97.89833	0.9
99.08147	2.7
99.70398	0.9
103.16455	0.9
111.08204	1.2
113.09731	5.0
129.09216	7.0
151.11305	1.6
153.12738	1.1
169.12321	1.6
171.10338	1.2
181.12361	6.8
183.13855	3.2
190.05019	1.5
193.12361	2.3
197.11810	9.9
199.13419	5.7
211.13391	24.0
212.13693	1.4
253.32246	1.2
275.20126	1.5
293.21204	17.8
294.21417	1.8
311.22278	100.0
312.22659	8.4
319.22763	3.7
337.23993	1.5
355.08829	2.4
355.21246	30.2
355.25079	3.5
356.21500	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94548	1.3
59.01378	2.6
70.95403	1.6
80.02691	2.4
81.03472	2.2
83.05021	7.2
84.02174	1.6
85.55708	1.8
97.02907	1.8
97.06587	4.6
106.04308	1.8
107.05035	6.9
109.06620	3.9
110.03726	1.6
121.02970	2.7
125.06087	3.9
125.09693	6.2
133.62730	1.8
135.08185	4.7
146.59268	1.4
153.02609	1.5
153.09190	12.1
163.11285	5.4
165.12828	3.5
178.09933	3.6
181.12341	2.1
183.26247	1.6
185.11853	6.4
191.10782	4.1
197.11798	10.4
207.10268	10.4
207.13860	1.9
209.11826	93.6
210.12149	5.7
225.11288	10.5
229.10916	2.3
236.10497	2.6
244.15639	2.3
254.11615	4.4
261.18594	5.9
269.15457	1.7
277.18091	2.1
279.19644	4.3
287.16568	9.3
305.17566	100.0
306.17859	13.2
320.25955	3.0
323.18625	13.7
343.16394	1.7
355.21176	2.2
355.24973	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
58.44093	0.8
60.23033	1.0
60.44149	0.8
61.98820	1.0
71.12205	1.1
80.70141	0.9
122.03732	9.1
125.89029	0.9
135.04517	22.4
147.08197	3.3
149.06067	2.0
149.09706	6.9
161.09738	10.3
163.07649	3.1
163.11288	50.4
164.08414	17.2
164.11665	2.7
165.09164	3.4
167.20140	0.9
177.09216	72.1
178.03859	0.9
178.09979	19.7
179.10774	100.0
180.11078	5.8
181.62160	0.8
187.11292	2.0
189.56152	1.0
190.05028	1.5
191.10783	12.2
192.11166	1.5
193.08707	1.3
279.13937	1.6
280.14682	3.6
281.15036	1.2
281.24814	3.3
298.15720	44.9
299.16022	5.0
307.17087	2.0
309.22070	2.0
312.13989	1.2
321.18283	1.4
337.21719	51.1
338.22089	6.7
340.20407	84.7
341.20743	9.8
355.22778	83.1
356.23090	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.78679	0.7
51.77339	0.7
55.84516	0.6
69.42442	1.3
69.42839	2.2
73.14458	0.6
95.05555	0.7
95.59278	0.7
96.94237	0.7
120.82191	0.6
131.46945	0.7
147.08130	2.1
161.09744	1.5
163.11267	3.2
265.12460	1.7
280.14648	4.3
307.16907	2.0
309.31375	0.7
321.18542	1.6
322.19446	2.4
337.21719	100.0
338.22052	14.7
341.24088	0.7
355.22867	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.249
Annotation	Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.35619	0.8
57.03436	2.5
59.01385	1.2
69.03449	1.2
69.46326	3.8
71.01400	1.1
83.05037	1.1
84.02158	1.0
85.02958	9.2
95.05018	1.1
97.02945	1.5
97.06599	4.5
97.39495	0.8
105.44542	0.8
107.77516	0.8
114.84446	0.8
120.81967	0.9
121.02945	3.0
125.09703	0.9
137.09705	1.7
146.03729	2.6
146.49831	0.8
155.14395	0.9
195.13878	1.8
199.13399	15.1
205.05060	3.1
205.16045	1.3
209.15385	1.4
211.17021	2.8
219.82370	0.9
221.15456	2.1
225.15038	1.7
229.14331	1.4
237.14769	1.1
239.12894	1.2
239.16513	20.4
240.16859	1.0
249.14879	4.7
249.69196	0.9
257.17557	12.3
267.16013	2.1
311.09222	2.5
319.22818	3.9
337.24170	0.9
355.08099	2.7
355.24902	100.0
356.25226	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50744	0.4
57.03432	0.7
59.01375	4.6
61.98831	20.4
71.01387	1.7
71.41640	0.5
73.02910	0.6
75.78671	0.4
76.56853	0.5
85.02937	0.9
88.04030	1.3
89.02452	1.0
99.92585	0.8
101.02429	1.7
108.04555	100.0
109.04868	2.9
109.30389	0.5
113.06114	0.5
115.00352	1.1
130.08708	0.8
130.50298	0.4
131.07104	0.7
132.03026	0.8
133.03015	0.6
134.03754	7.4
135.04048	7.4
137.02396	1.0
149.06039	2.5
150.05597	84.9
151.03949	0.6
151.05945	3.3
151.07671	0.7
157.06609	0.5
165.05458	0.7
177.05536	0.5
178.02689	1.9
179.03081	3.0
180.10326	0.5
193.04958	6.9
194.05334	10.6
195.06786	4.2
222.12489	2.4
240.13557	0.8
241.11845	0.8
293.12485	3.2
356.09961	1.1
356.14413	2.0
356.18347	1.2
357.00864	0.7
357.11508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.5
61.98830	100.0
64.76456	1.3
65.63132	1.2
71.01373	9.5
75.00899	1.2
85.02938	2.8
86.91387	1.2
88.04031	1.4
89.02448	8.2
101.02451	5.7
108.04581	2.1
113.02432	4.3
113.12511	1.1
119.03493	3.9
131.07132	4.9
132.03050	2.9
134.02580	1.4
134.03748	5.9
135.04146	4.8
137.02489	1.5
150.06490	1.5
165.05023	1.4
178.02763	2.3
179.03172	2.8
179.05582	2.4
180.10313	1.7
189.00645	1.3
193.05042	4.3
194.05374	8.3
195.06651	9.8
214.54233	1.3
222.12477	5.1
240.13474	3.4
241.11899	1.6
293.12457	21.5
356.10361	1.4
356.14325	5.6
356.18381	2.7
357.21454	2.1
366.20325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.35835	1.6
69.36243	2.0
97.61674	0.6
111.56676	0.7
140.45276	0.6
262.48154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39479	2.6
51.17496	2.6
62.84603	2.7
70.42284	5.1
72.16239	2.8
88.86485	2.6
93.03445	15.3
100.28686	2.5
244.10803	24.0
291.19623	5.3
313.17834	100.0
314.18283	11.2
356.18417	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12250	13.6
61.98835	100.0
70.27261	22.8
79.91792	11.0
98.44578	12.8
118.55063	12.0
146.20262	10.7
146.48499	9.9
162.72545	11.9
167.79346	13.8
192.85886	11.4
226.12181	11.5
245.19104	27.6
313.17996	24.8
357.16727	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2076
Annotation	Ipanguline D10
Peak:m/z	Relative Intensity
57.03456	0.7
58.02967	1.5
58.07469	0.6
59.01383	3.2
69.46024	0.6
69.46352	2.6
73.02950	3.9
74.04858	0.6
80.40192	0.6
83.02637	0.6
94.91241	0.5
95.05011	0.9
99.04567	0.7
101.57047	0.6
114.06757	0.5
114.99146	0.6
115.35588	0.5
118.61250	0.5
119.08661	0.8
121.06628	0.6
126.05626	0.6
128.10794	4.2
130.08739	100.0
131.09076	3.5
134.02396	0.7
136.01688	0.7
137.09724	0.6
145.01416	0.8
145.10220	2.8
146.08253	3.6
151.04030	0.9
152.07233	1.1
159.10165	0.6
161.02454	0.8
161.09680	0.8
162.03354	0.6
163.11279	0.9
172.09879	1.3
192.06676	0.6
201.73117	0.6
258.18665	0.8
338.19733	1.4
356.20798	68.9
357.09927	0.8
357.21185	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2078
Annotation	Broussonetine R
Peak:m/z	Relative Intensity
51.78353	0.5
52.32629	0.6
57.03447	1.5
58.02974	45.3
59.01377	14.2
61.98833	1.0
69.59625	0.9
69.60001	0.9
71.01391	2.0
71.05026	1.9
72.00922	1.2
73.02951	2.2
83.05016	1.7
84.04547	1.1
85.02941	1.2
89.02458	0.9
92.91864	0.8
98.06111	3.2
101.02470	0.8
113.02446	0.7
123.08175	0.8
126.05618	28.4
126.09236	6.7
127.03991	1.0
128.03497	0.7
128.07178	3.6
130.08746	1.0
144.10295	14.7
145.10701	0.7
146.08232	76.7
147.08690	1.5
151.04005	1.0
152.67958	0.6
155.31145	0.6
160.03116	0.7
161.04558	0.8
167.10880	0.6
170.08229	19.9
171.08533	0.7
188.09297	1.2
195.06656	3.1
220.95859	0.7
227.12787	1.5
334.49899	0.7
338.19724	7.3
339.20248	0.7
356.20782	100.0
357.21106	10.9
357.65146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12250	13.6
61.98835	100.0
70.27261	22.8
79.91792	11.0
98.44578	12.8
118.55063	12.0
146.20262	10.7
146.48499	9.9
162.72545	11.9
167.79346	13.8
192.85886	11.4
226.12181	11.5
245.19104	27.6
313.17996	24.8
357.16727	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98803	100.0
69.95469	47.5
70.43417	87.8
113.60245	48.9
127.71001	59.8
159.79453	47.7
192.95886	54.3
201.68491	60.0
229.06517	50.7
273.84723	57.7
305.82074	55.1
321.24426	51.2
333.40518	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54883	0.9
57.03424	1.5
58.02962	2.2
59.01377	30.3
68.75842	0.8
69.03437	1.3
69.37466	1.0
70.02973	2.6
71.01378	12.8
72.83012	1.1
72.99294	1.4
73.02952	8.7
85.02944	3.4
87.00880	2.9
89.02444	12.9
93.03437	1.3
96.00925	5.0
96.04551	6.2
97.02950	2.9
98.02473	2.3
99.00897	1.7
101.02460	5.8
105.07089	1.8
106.04258	1.1
107.05030	100.0
108.05351	4.2
109.02939	1.2
109.06608	1.0
110.03740	1.2
113.02455	5.2
113.03562	3.1
114.01950	3.4
119.03510	4.3
119.05022	1.3
121.02975	6.4
123.08145	1.4
130.08737	7.0
131.04594	5.4
132.06641	4.2
133.06599	14.5
135.04543	2.8
137.09737	1.0
138.09265	1.4
146.08188	2.1
151.07646	33.6
152.07967	2.3
161.04488	1.4
163.04059	1.0
163.11256	3.6
163.98627	0.9
165.09262	1.2
166.08676	1.6
174.35616	0.9
175.07648	1.0
177.05545	7.2
180.13983	1.6
181.12363	8.4
191.90936	1.1
193.08672	4.4
195.06606	32.3
196.06995	1.6
197.11720	1.0
207.10269	18.9
224.12932	4.4
225.11302	21.8
235.18152	1.1
241.04889	1.2
242.13979	6.7
243.16948	1.4
265.09732	1.6
269.04501	2.2
279.17120	1.1
283.10898	2.4
297.04111	1.7
312.06290	2.9
313.11511	1.2
323.16074	9.2
327.08649	2.7
327.12164	1.7
340.13373	1.2
340.18591	4.5
342.11002	4.5
357.09445	3.3
357.12857	3.9
357.16599	6.3
357.21014	6.9
358.18719	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01379	61.1
61.98819	3.2
69.44421	2.0
69.44819	1.6
71.01381	23.9
72.99267	1.2
73.02953	2.4
77.59814	1.1
83.01400	1.7
83.05038	1.2
83.95819	1.0
84.04525	4.8
85.02937	5.0
87.05670	1.3
88.04024	1.7
89.02446	17.8
89.42883	1.3
90.54120	1.2
95.01388	1.8
101.02436	19.3
102.02805	1.0
108.02135	2.2
113.02435	8.6
115.08820	1.4
116.07170	3.3
119.03504	6.8
119.05030	2.7
121.02950	2.6
123.04536	2.9
124.01595	1.1
128.03563	2.3
130.08736	2.8
133.02927	1.3
134.03735	2.7
135.04524	6.8
136.05305	14.7
143.03462	1.1
150.05618	1.4
151.03975	2.5
151.07642	3.5
156.82925	1.2
161.02478	2.9
161.04532	1.0
162.03226	65.2
163.03786	3.8
171.10254	1.5
176.21812	1.0
177.05571	100.0
178.02711	1.0
178.05922	5.2
194.05536	1.3
195.06622	92.8
196.06932	5.5
197.40565	1.1
209.11827	18.0
227.12956	9.1
233.09322	5.0
322.16779	1.4
357.11780	2.0
357.21255	4.0
358.19504	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71051	1.6
52.53433	1.8
53.09246	2.0
59.01384	2.8
69.71384	5.6
71.01354	1.9
77.17545	1.7
80.80341	1.5
87.59718	1.6
91.65509	1.8
93.03467	2.6
108.02184	23.3
109.06591	5.0
111.04546	1.6
121.02971	3.1
121.06569	6.1
122.03777	2.3
123.04523	35.5
123.08156	6.9
125.09731	4.4
127.11332	2.5
137.06113	4.2
141.75352	1.7
145.02942	2.4
145.06650	1.8
146.03645	2.3
147.04504	5.9
148.05292	10.4
149.02377	3.1
149.06105	9.2
150.03227	9.0
158.03761	4.9
159.04529	17.0
160.05289	35.6
161.02449	1.7
161.06047	6.9
162.03232	6.4
163.03998	1.9
164.04781	1.6
165.05557	2.0
167.07138	18.7
171.10312	10.6
173.06041	2.6
174.03235	7.5
175.04045	4.8
175.07655	11.8
176.04803	6.9
177.05571	95.8
178.06339	33.0
179.06734	1.8
187.04018	16.9
188.04803	21.0
190.06425	3.0
191.07120	26.5
192.04321	2.2
192.07933	19.5
193.08640	3.7
201.05608	2.2
201.11333	22.6
203.07141	100.0
204.07454	6.2
206.05840	21.1
210.05354	6.8
215.07228	1.8
219.06665	2.6
220.07376	4.2
221.08200	72.4
222.08560	4.1
224.06935	10.7
229.10765	3.3
233.08093	2.0
251.06937	2.6
263.07108	4.2
267.06702	3.0
269.08093	2.0
279.06537	2.5
280.07346	2.2
281.08234	7.2
291.06488	4.2
294.09186	2.1
295.09839	2.1
297.07635	8.4
303.16028	3.4
309.07773	10.6
309.10898	2.8
312.10016	3.6
313.10757	4.7
321.17023	16.8
324.10074	7.6
327.08847	2.9
327.12384	25.0
339.12354	58.3
339.16690	2.9
339.18280	2.9
340.12643	5.4
357.09061	2.8
357.13461	46.3
357.18518	3.8
358.13898	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22738	2.1
57.03434	2.8
57.35529	1.9
59.01384	86.4
69.03452	1.9
69.97926	2.2
69.98264	3.9
71.01387	15.8
73.02946	6.9
74.83660	1.7
83.01389	2.3
83.05002	3.5
83.98988	1.9
85.02941	5.8
87.00864	1.8
89.02426	5.2
95.05021	2.2
96.96021	2.3
98.21956	2.4
99.04514	3.6
101.02441	5.9
113.02441	5.8
119.03514	2.2
123.08178	2.2
125.02425	1.9
125.09725	15.3
130.08749	34.3
131.09053	4.0
151.11324	4.0
152.07187	3.7
153.09219	100.0
154.09572	6.4
161.04541	3.0
163.11287	2.3
165.12851	3.0
167.04984	7.7
192.06650	3.4
195.04497	11.5
195.06593	4.6
195.10280	3.6
203.05482	4.0
209.11819	46.3
210.06830	5.8
225.09187	6.6
227.12906	22.8
243.17207	3.3
244.89771	1.8
267.12442	3.3
267.22751	1.9
313.07150	8.8
313.19678	1.8
315.14304	2.2
357.06213	5.0
357.15750	11.6
357.19122	4.6
357.21854	2.1
358.22342	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01363	3.9
70.51404	2.0
71.01370	2.0
73.02941	1.7
79.34328	1.2
89.67039	1.2
100.32316	1.2
125.06078	1.5
125.09721	4.6
127.11278	4.1
135.97531	1.3
143.10835	1.4
151.11311	1.6
153.09259	1.4
155.10742	4.3
169.12251	2.0
171.10278	24.1
172.10548	1.7
179.10803	3.0
185.11816	4.2
197.11827	14.1
199.09735	7.9
213.11395	10.0
215.12875	100.0
216.11342	1.3
216.13176	7.4
236.43178	1.1
257.55835	1.3
357.26385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
56.09289	0.4
59.01377	100.0
60.01710	1.0
69.60934	0.9
71.01379	7.4
73.02949	2.2
83.01389	1.3
85.02951	3.4
89.02454	1.8
95.01393	0.8
96.35858	0.4
98.21914	1.0
99.00904	0.7
101.02456	3.5
112.98817	0.9
113.02480	2.0
121.02967	1.1
130.08696	0.5
131.47527	0.4
143.03516	0.5
159.02930	0.5
161.04544	2.8
204.52852	0.5
297.64032	0.5
315.18307	1.3
357.23123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22549	1.6
54.89386	1.6
55.32621	2.0
57.03429	4.8
59.01374	13.7
61.98798	2.1
69.03450	4.1
71.01389	5.6
71.05003	4.4
73.02940	4.7
80.02682	3.5
81.03471	3.5
83.01396	2.9
83.05035	7.3
84.02163	2.2
85.02966	6.8
85.06574	2.7
87.04504	4.5
88.04038	4.1
93.03436	4.1
95.05039	3.7
97.02950	4.5
97.06583	6.2
99.04499	2.8
107.05051	2.0
108.02168	6.0
109.02975	2.9
109.06593	24.9
110.03746	2.2
111.04549	2.1
111.08144	2.6
113.02466	2.1
113.06095	5.2
116.92885	2.6
121.02956	6.2
121.06591	8.5
123.04492	2.2
123.08163	21.9
125.06101	3.5
125.09747	17.9
127.11295	4.7
133.06616	3.2
136.01573	1.9
137.06096	12.1
137.09732	2.7
137.27002	1.9
138.03189	5.0
139.07657	6.5
141.05579	5.9
143.07170	2.6
149.06081	6.2
151.02745	2.6
151.07666	5.3
152.03557	4.5
155.07202	3.2
161.02475	9.7
165.09160	3.5
167.07144	83.4
171.10269	51.5
172.10635	2.9
175.04001	3.1
176.04791	7.7
179.07249	2.3
183.10251	3.9
185.08235	5.2
185.11778	3.9
187.09760	5.2
191.10667	2.5
199.09732	4.9
201.11311	100.0
202.11685	4.9
209.11732	9.2
211.09772	3.2
213.09291	4.1
213.11319	10.5
215.12874	3.0
217.10832	3.1
221.11847	5.5
223.13416	26.3
225.11343	2.5
227.13007	2.5
229.10809	20.2
235.13354	12.1
237.11270	3.7
237.15031	3.5
239.12875	7.7
251.12874	14.9
253.14488	5.9
263.12827	2.9
277.18011	4.1
281.13998	13.1
283.09515	2.6
284.06738	2.4
285.14743	3.6
294.05304	2.5
297.07385	2.2
299.09195	2.5
303.16064	14.9
312.06348	6.6
321.00494	11.6
321.17050	62.9
322.17261	5.2
327.08688	17.5
328.09091	2.1
339.12454	2.4
339.18100	14.4
340.18463	2.7
342.11081	15.4
357.09723	3.0
357.13434	28.6
357.19089	19.9
358.14117	2.3
358.19229	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.5
63.58838	6.0
66.44194	6.9
76.57141	7.3
101.66888	6.2
121.02929	8.4
127.07627	11.6
131.08299	6.2
134.98944	6.4
153.09204	15.7
171.10320	17.3
185.11871	13.7
197.11749	14.7
199.13423	23.4
209.11798	56.9
227.12909	54.9
240.06927	6.3
289.18030	15.0
307.19159	100.0
308.19424	13.4
325.20111	55.6
326.20471	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02917	0.8
51.48524	0.8
53.52187	0.8
57.03448	1.1
58.00595	4.3
58.02959	0.9
59.01362	2.5
62.90349	0.7
71.01395	1.4
83.05022	1.2
85.02946	0.9
91.63098	0.8
93.38846	0.8
97.06564	1.8
111.08154	1.1
118.90794	0.8
121.02952	2.6
125.09727	2.4
127.07620	2.4
128.10785	3.2
130.08737	37.5
143.07118	1.1
148.82300	1.0
150.50514	0.8
151.11275	3.3
153.09225	1.9
153.12830	3.0
155.14415	1.2
163.11316	1.2
165.12779	1.8
169.12390	1.9
171.10234	3.7
171.13924	1.6
172.09781	1.6
181.12361	2.7
185.11720	1.0
191.10837	0.8
197.11844	7.9
199.13393	30.5
199.15248	1.7
200.13707	1.9
209.11832	12.1
210.11893	0.8
215.12856	2.2
223.98048	0.8
227.12877	100.0
228.13188	5.3
229.14439	7.0
231.12285	1.2
239.09074	1.0
245.19290	1.4
281.17514	1.3
289.18051	2.5
307.15509	1.0
307.19107	20.0
308.19342	2.5
322.20230	23.2
325.20178	11.6
326.20496	1.6
343.83963	0.9
357.22244	2.4
357.25876	3.6
358.27374	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13084	1.1
58.00576	3.4
59.01373	2.6
61.98809	1.1
63.70502	1.2
66.03136	0.9
67.16669	1.2
69.62502	4.4
71.01387	1.3
80.84827	1.1
83.04990	1.8
95.05019	1.3
97.06561	1.4
98.22598	2.0
102.13526	1.0
103.34505	1.1
115.07750	1.2
120.64601	1.0
121.02946	1.7
125.09674	2.1
125.96243	1.0
127.07668	3.2
127.25262	1.0
128.10791	2.2
130.08739	41.0
151.11336	1.3
153.09186	2.9
153.12883	2.5
155.14391	1.3
163.11287	1.8
165.12820	2.6
169.12296	2.2
171.10254	2.5
181.12343	2.4
183.13847	1.4
185.11801	4.6
191.14302	1.7
197.11835	9.2
199.13380	29.2
200.13664	1.5
209.11813	14.7
215.12860	3.2
227.12888	100.0
228.13281	5.4
229.14413	7.8
245.19012	3.2
289.17972	3.9
307.19156	35.2
308.19693	2.8
322.20166	26.3
325.20184	18.9
326.20541	1.7
353.14124	1.1
357.05634	1.8
358.27460	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29922	3.3
54.33738	3.4
59.01379	100.0
61.98820	7.8
62.61027	2.9
63.01897	3.3
69.82480	9.2
70.98180	3.6
71.01376	30.1
85.02963	5.5
85.94409	3.3
87.00882	10.3
89.02444	24.5
95.01393	6.8
96.96008	10.4
98.22569	5.2
98.24442	3.1
101.02435	11.8
108.02179	4.5
113.02429	7.7
119.03515	11.3
123.00895	34.5
128.03523	8.3
137.06088	11.3
138.03235	40.3
153.05580	22.8
164.04770	9.1
166.99832	12.7
174.99203	11.4
179.07133	12.6
182.02191	26.8
193.35992	3.5
195.26653	3.2
197.04555	80.1
201.02582	8.9
215.79750	3.4
217.00256	31.9
239.70264	3.5
347.27936	3.7
358.19858	9.3
359.09528	6.7
376.21039	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	35.6
69.57865	64.8
69.58248	100.0
86.63871	28.5
98.22581	34.8
163.33502	29.7
184.37460	28.1
188.06819	33.5
354.98105	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99936	1.6
58.76399	1.4
61.98798	1.6
67.19802	1.4
68.79721	1.2
70.96625	2.1
95.05033	50.0
96.05378	2.0
109.06615	1.4
178.03601	2.7
189.05278	2.0
232.04544	3.6
246.12335	57.7
247.12755	3.7
278.11353	100.0
279.11734	6.2
289.11526	1.6
315.19397	32.8
316.19662	4.0
321.10641	11.2
322.10672	1.8
358.12720	1.4
358.19989	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46271	4.5
71.59578	4.4
162.64662	4.8
315.19406	100.0
316.19653	8.1
358.19931	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07561	6.9
85.16197	1.0
98.22597	2.5
120.76738	1.2
121.06568	2.9
151.39839	1.1
161.13205	1.0
181.28281	1.1
215.10503	1.1
217.12097	3.6
247.09442	1.3
247.20726	1.8
256.52438	1.0
267.81268	1.1
272.13831	2.8
274.13855	1.1
293.21228	1.5
295.46454	1.0
313.17801	1.7
315.19412	100.0
316.19724	9.8
358.19928	5.5
359.25864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03090	16.6
59.01378	21.5
60.35179	15.4
69.96337	46.8
95.12110	16.5
116.21494	14.4
246.66110	17.5
291.19550	38.9
313.17804	78.8
315.19446	100.0
358.19852	43.7
359.25708	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
89.13232	45.5
90.19337	47.0
100.96471	51.9
113.22939	54.1
116.49122	48.7
118.96447	55.7
122.28987	47.4
140.68886	53.9
203.75711	54.3
230.37607	54.5
234.71416	60.6
359.25842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	89.4
60.01719	1.0
70.83160	0.7
73.02945	1.2
114.98851	0.6
132.98199	2.4
156.90828	1.1
157.03572	3.0
159.01523	1.3
174.99258	25.6
197.57086	0.6
198.91864	1.4
200.27155	0.6
201.02560	24.0
202.02724	2.7
217.00302	100.0
218.00626	2.8
219.72162	0.6
274.99487	4.1
275.99817	0.7
317.00638	6.3
318.00620	1.3
359.01660	12.3
360.01736	3.2
378.21371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44817	0.5
56.98418	0.5
59.01376	82.0
60.01707	1.1
61.98828	0.8
70.78746	1.1
87.00876	0.7
104.50773	0.6
105.28997	0.6
123.00859	3.3
124.02901	0.5
126.49108	0.5
130.08818	0.6
132.98206	1.4
135.04517	0.8
138.03258	3.9
153.05557	1.8
157.00006	0.6
157.03586	2.4
157.96060	0.6
159.01527	0.9
166.99892	1.1
174.99237	22.3
175.02621	0.6
182.02274	3.5
186.02681	0.7
197.04532	10.1
201.02545	26.7
202.02716	2.9
217.00284	100.0
218.00584	2.7
222.67059	0.6
259.01605	0.5
271.21500	0.5
273.03055	0.8
298.99316	1.3
317.00632	0.8
359.01337	5.4
359.07315	0.9
360.01486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82899	0.5
56.95254	0.5
57.03431	0.6
59.01379	30.8
60.01716	0.5
61.98822	3.4
70.24287	0.5
71.01387	5.6
73.02939	1.2
79.95744	1.3
80.96503	0.9
85.02953	3.6
87.00890	0.9
88.04029	0.6
89.02448	1.7
91.25754	0.6
95.01377	3.1
96.00929	0.7
101.02427	2.3
102.21232	0.6
105.01939	0.9
108.02167	0.9
109.02985	0.6
113.02447	1.7
115.00373	0.9
119.05042	0.7
123.00890	38.1
124.01190	0.7
128.03552	0.9
135.04536	3.3
136.99088	0.7
137.02443	2.2
137.06085	14.6
138.03230	44.1
139.03555	1.7
141.00432	1.4
147.06636	0.7
151.03928	0.9
152.01172	0.6
153.05580	17.0
153.06856	0.8
161.04565	2.7
164.98596	0.7
166.99854	11.4
171.01471	1.2
179.03853	0.6
180.06648	1.0
182.02214	37.0
183.02570	1.6
191.05678	0.6
197.04549	100.0
198.04912	4.4
201.02553	0.9
214.18886	0.5
217.00296	2.3
243.06432	0.6
285.06256	1.4
302.91815	0.8
312.01828	0.6
359.09888	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01379	7.5
61.98829	2.2
70.59679	0.9
71.01379	2.8
72.99315	0.7
73.02943	0.7
79.95735	1.3
80.46859	0.5
85.02942	2.7
89.02438	0.8
93.03451	0.8
95.01404	2.8
99.00835	0.5
103.91984	0.5
105.01920	0.8
106.09528	0.5
109.02928	0.5
111.17275	0.6
113.02460	1.0
113.63787	0.5
121.02986	0.5
123.00883	36.7
124.01219	1.3
135.04506	1.2
136.99162	0.7
137.02429	1.2
137.06075	2.8
138.03224	50.8
139.03548	2.2
147.06595	0.8
153.05569	17.5
154.05865	0.8
160.42856	0.5
161.04556	0.7
164.98677	0.8
166.99849	10.8
168.00215	0.6
182.02206	37.0
183.02521	1.5
191.05579	0.7
193.48587	0.5
197.04538	100.0
198.04907	4.3
201.02637	0.7
217.00267	1.2
239.05450	0.7
239.80688	0.5
250.97501	0.5
285.06073	1.0
325.32672	0.5
359.09875	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.12841	0.5
59.01376	26.9
68.77134	0.5
69.77772	1.1
69.78101	0.8
71.01385	2.7
73.02949	0.9
85.02956	1.3
90.95377	0.5
95.01369	3.2
95.25518	0.6
101.02431	1.0
110.80884	0.5
113.02377	1.0
117.89637	0.5
119.05054	0.7
123.00880	44.3
124.01187	1.2
129.45866	0.6
137.02473	1.0
137.06084	16.5
138.03221	58.7
139.03555	2.3
153.05571	20.2
154.05872	0.9
161.04556	2.3
166.99854	13.4
168.00154	0.7
182.02200	46.7
183.02501	1.6
185.62885	0.6
197.04538	100.0
198.04898	5.8
217.00174	0.5
239.05559	0.7
359.09717	3.3
359.19562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03447	1.4
59.01375	100.0
61.61449	1.0
61.98828	20.5
67.72832	0.9
69.40736	1.1
69.96973	2.5
71.01376	37.1
72.99324	2.0
73.02935	2.3
73.17538	0.9
83.01374	1.8
84.52348	1.1
85.02948	8.4
87.00872	1.3
89.02441	33.9
95.01423	3.1
96.96024	1.7
97.02969	1.2
101.02432	22.7
109.02998	1.8
113.02463	16.1
119.03504	14.9
119.05008	15.3
119.05785	1.5
121.02959	7.2
123.00922	2.4
131.08281	1.8
135.08214	1.2
137.02443	5.0
137.06110	1.7
138.03250	4.4
139.03981	1.6
143.03522	2.1
145.02927	1.8
151.04051	1.8
153.05563	8.7
161.04597	2.1
163.04092	3.1
165.01997	1.5
166.99857	2.7
173.04593	1.4
179.05676	2.1
179.07187	1.4
180.04359	1.7
181.01511	3.9
182.02196	6.5
185.02235	4.9
194.57259	1.0
195.06691	1.8
196.03816	2.6
197.04546	41.9
197.08241	1.4
198.04929	2.6
209.11826	1.7
211.06059	8.6
211.99274	1.5
212.06714	1.1
217.00368	2.9
224.03336	3.4
239.05585	23.2
260.10901	1.3
269.06766	2.0
299.07828	6.6
299.11496	7.5
315.24329	1.1
344.07477	2.1
359.09976	76.6
360.10434	7.7
360.17981	1.2
369.30191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59740	7.1
54.25225	6.4
54.29482	8.1
58.02918	6.3
59.01378	100.0
61.98814	20.4
69.25912	16.5
69.26324	22.0
71.01373	23.2
73.02943	8.7
74.02493	8.8
79.95721	9.0
83.05016	16.8
85.02946	15.1
88.04039	7.8
89.02440	20.9
92.05074	8.9
96.96005	19.5
99.92622	8.3
101.02453	17.7
114.30953	6.3
117.72657	6.4
119.03525	11.7
119.17131	6.8
131.08302	8.0
136.03992	17.8
137.02487	7.5
141.01715	8.0
170.11880	8.3
172.10559	9.6
197.04544	16.8
201.02521	11.3
209.11803	77.8
210.12172	53.2
217.00270	28.1
227.10905	7.9
227.12813	42.3
228.13184	31.9
239.05559	7.1
241.15599	29.1
244.27834	6.8
323.16870	8.4
359.13614	10.9
359.18311	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87588	0.4
57.42002	0.4
59.01376	5.0
68.99817	23.4
69.70850	1.4
71.01376	1.0
73.02972	0.5
75.00870	0.8
80.05059	30.6
81.03424	0.5
81.05369	0.6
83.05018	0.7
85.02934	0.5
89.02431	0.5
94.06632	0.7
96.04568	0.4
97.04842	0.5
98.21912	0.8
103.04187	0.4
104.05069	3.4
106.06619	1.4
107.03793	2.6
108.04556	1.8
111.08216	0.4
113.03645	0.5
115.80162	0.4
115.92121	0.6
116.05061	0.9
118.06685	0.6
122.06120	20.2
123.06471	0.7
130.08749	1.0
131.50208	0.5
132.04553	100.0
133.04922	4.8
134.06104	1.2
144.04553	2.7
150.05603	30.3
151.05969	1.7
152.07169	54.2
153.07523	1.3
162.05600	1.6
166.08618	0.5
175.04001	0.9
190.06326	0.7
191.07140	0.5
208.07532	0.7
223.08662	0.4
236.18436	0.5
245.13017	0.9
269.13528	0.7
273.12427	0.8
297.12436	49.9
298.12775	5.6
315.13495	31.6
316.13678	2.4
324.16434	1.5
341.19034	0.7
359.20999	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95742	0.6
54.60685	0.5
56.26635	0.6
59.01379	100.0
59.46469	0.6
60.01713	1.3
69.67912	1.2
69.68307	1.2
71.01383	7.2
73.02956	1.3
84.31002	0.6
85.02967	2.5
88.25069	0.6
89.02464	2.4
95.01412	1.3
96.96020	6.7
101.02479	3.7
106.04252	1.2
108.02198	0.7
113.02448	3.7
119.03503	1.0
119.05054	1.5
123.00884	8.4
123.01624	0.8
137.06085	52.2
138.03217	11.6
138.06462	2.7
153.05586	5.0
159.03038	1.4
161.04546	10.7
166.99861	3.1
182.02205	9.2
197.04549	24.3
197.06360	1.2
198.04941	1.1
217.00395	2.4
218.47241	0.6
280.68405	0.7
299.11551	1.2
309.63699	0.7
357.13858	0.7
359.05270	1.2
359.09314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53145	0.7
57.03434	0.7
59.01377	100.0
60.01712	1.3
70.83390	0.9
71.01389	6.5
73.02946	1.8
85.02949	2.5
101.02435	3.8
104.58432	0.8
106.04245	0.9
113.02483	2.8
119.05058	1.6
123.00909	2.9
137.06081	55.3
138.03177	4.4
138.06458	1.4
153.05602	1.6
161.04553	11.2
182.02246	4.7
197.04535	10.0
198.04887	1.2
217.00299	0.9
230.00877	0.8
299.11551	2.0
326.53473	0.8
359.09567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17352	0.7
59.01377	100.0
59.33085	0.6
60.01722	1.1
60.55964	0.6
61.98829	3.9
69.40285	3.4
71.01379	7.3
73.02962	3.0
79.95792	0.8
80.96500	0.9
83.01389	0.7
85.02950	4.0
87.05714	0.6
89.02473	1.4
95.01398	1.6
96.95993	1.2
98.21918	1.5
99.00907	0.7
101.02456	3.6
105.01967	1.4
106.04247	1.7
113.02467	2.9
116.07168	0.9
117.01949	0.8
119.05036	1.4
123.00889	16.7
135.04515	2.4
137.06079	54.7
138.03226	22.4
138.06468	2.5
141.00461	1.0
153.05557	8.6
153.06476	0.6
161.04544	9.6
166.99850	3.5
171.01489	0.9
180.06659	1.1
182.02194	16.3
183.02628	1.1
191.05594	1.5
197.04547	45.8
198.04889	2.7
201.02586	0.9
217.00348	3.1
220.39636	0.7
269.20120	0.7
299.11484	1.7
359.09528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1498
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.77423	1.0
54.61496	1.0
59.01368	2.7
61.98802	2.1
68.80840	1.2
78.98985	0.9
79.84939	1.1
93.03462	10.0
108.02152	1.0
109.02953	12.1
121.02950	87.7
122.03801	7.8
123.04514	2.2
129.03485	2.2
135.04535	2.8
137.02478	1.0
147.04521	14.9
147.08229	1.1
157.66550	0.9
161.06085	2.6
165.05563	58.6
166.05888	2.7
175.07457	1.1
178.06374	1.3
179.03426	1.2
179.07130	14.8
191.07175	1.1
192.75491	0.9
217.00342	1.8
221.08046	2.0
223.06087	1.2
247.66998	0.9
305.17523	1.8
311.12793	1.0
313.10696	7.2
323.18842	1.5
344.12610	26.6
345.12964	2.6
359.14975	100.0
360.15253	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
59.01376	54.1
59.88350	0.6
60.01708	0.6
61.98820	1.4
62.28867	0.4
63.49188	0.5
69.38244	1.4
69.38641	0.9
69.87912	0.5
71.01382	1.1
72.00885	0.5
78.95887	0.6
82.06613	0.5
84.08176	0.8
90.97154	1.5
97.46801	0.6
98.22598	1.1
115.00372	1.1
118.96596	0.6
122.02479	0.5
123.00879	5.5
128.07188	1.2
130.08737	100.0
131.09064	3.2
132.98201	1.7
134.04747	1.7
137.06068	1.4
138.03236	7.3
145.09859	1.1
151.91200	0.5
153.04515	0.6
153.05614	2.4
157.03592	1.6
159.01530	0.9
166.99913	0.8
172.86647	0.5
174.99245	15.9
182.02213	5.5
188.07735	0.8
197.04555	10.6
201.02550	13.6
202.02708	1.3
204.05446	1.0
213.05650	1.0
217.00294	54.6
218.00650	2.5
227.97707	2.5
230.03503	1.0
244.05115	0.6
259.06137	0.6
274.06036	0.6
300.13104	1.0
315.12198	1.1
315.20618	0.7
359.01639	2.6
359.14981	74.4
360.02548	0.6
360.07281	0.9
360.15289	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16043	1.3
57.03454	1.8
58.00588	3.2
59.01377	5.8
69.21055	1.3
70.15665	2.2
70.15981	2.3
71.01366	2.2
75.57520	1.3
87.00883	16.1
103.52329	1.6
108.02172	2.1
111.00883	1.5
122.03754	1.5
132.23192	1.4
147.02960	3.5
165.12837	4.0
167.14380	1.6
179.14496	2.2
183.13879	5.7
185.15530	2.7
195.13939	4.7
205.12386	2.8
211.13403	75.9
212.13728	6.6
213.14987	26.3
214.15303	2.4
223.13391	9.4
233.11827	4.0
235.13441	3.6
241.14461	100.0
242.14870	7.3
243.16090	2.0
249.15018	1.7
251.12888	34.8
252.13271	3.1
253.14433	9.3
254.14771	2.2
259.13397	12.5
263.12970	2.6
269.13977	6.9
271.15512	2.3
277.14453	13.1
281.13980	1.6
295.15427	1.7
295.22723	1.7
303.96054	1.5
305.14008	7.4
323.14914	4.7
359.14804	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56443	0.3
58.02979	0.5
59.01378	0.6
59.53086	0.3
69.71528	0.9
70.02976	5.7
71.01366	0.9
71.02509	2.3
72.00904	2.3
88.04038	3.5
95.02512	5.4
96.00925	0.3
98.22581	0.4
108.98289	0.3
111.02011	1.3
112.65000	0.3
113.03571	33.0
114.01965	22.9
114.03858	0.6
114.47249	0.3
115.00386	1.4
115.02331	0.5
131.04625	100.0
132.03023	14.0
132.04996	2.2
151.81987	0.3
164.97397	0.3
172.90370	0.3
190.35504	0.4
197.18297	0.3
202.71423	0.3
204.39500	0.3
209.11832	1.4
227.12880	1.4
233.02394	0.4
357.49460	0.3
359.18210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03440	1.8
58.00603	1.1
59.01385	4.7
69.03458	1.6
70.07911	1.8
71.01386	2.6
71.05025	6.1
81.03461	54.3
82.03790	1.4
83.05048	0.9
84.02170	3.5
85.02962	1.7
87.00861	0.9
87.04517	6.0
93.07082	0.7
95.05016	1.0
97.06614	0.8
99.04526	100.0
100.04871	3.0
109.06590	1.5
111.00900	0.6
111.04510	3.1
113.06051	0.9
123.04532	1.1
125.06117	0.6
125.09727	1.8
127.11298	1.5
129.01888	0.6
130.08754	2.1
133.06596	1.2
141.09175	0.7
151.07651	4.5
153.09180	0.9
164.92435	0.6
165.12883	0.9
169.08749	3.9
171.10280	50.8
172.10652	3.0
187.09779	1.9
201.11342	17.2
202.11714	0.8
209.11847	2.1
210.12140	3.0
210.88043	0.7
211.13380	7.6
212.13570	0.7
213.11366	6.2
213.14937	3.5
223.13504	1.2
227.12932	1.2
228.13263	1.4
233.11888	0.8
235.13448	2.0
241.14470	10.4
242.14789	1.0
243.12514	0.7
251.12912	6.0
253.14500	4.4
259.13467	1.3
261.14798	0.8
271.15561	12.5
272.15616	1.0
277.14447	1.5
287.16379	0.7
305.14307	1.2
305.17477	4.3
315.17960	0.7
323.18610	2.7
341.19736	5.9
342.20157	0.7
359.16998	1.2
359.20801	6.5
360.20605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38490	0.5
54.23908	0.5
59.01379	21.3
69.68946	1.7
75.67408	0.6
84.54060	0.6
89.22432	0.6
98.22630	1.1
99.92577	1.3
143.49869	0.6
180.17212	0.6
185.11853	1.6
197.11891	0.8
255.11005	0.6
277.21713	100.0
278.22064	10.1
299.52823	0.5
342.25073	0.6
359.21994	24.6
359.25995	7.8
360.22299	2.7
360.26248	0.9
368.59561	0.6
378.31882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	54.8
62.02851	2.5
66.10417	2.2
68.63483	2.6
69.46404	10.9
94.12277	2.3
98.21909	5.5
119.25701	2.4
139.11203	2.7
229.01646	2.5
231.21147	24.2
232.21524	4.1
233.22697	24.4
246.99905	3.1
247.20677	12.6
277.21710	100.0
278.22031	8.7
329.34454	2.8
359.22012	70.0
360.22281	9.5
367.04553	2.6
384.21301	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2589
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
59.01357	1.3
61.98817	4.8
70.37031	2.1
71.04984	1.5
84.77882	1.1
90.52600	1.4
107.04997	2.0
112.77103	1.2
123.08098	1.2
125.09715	1.7
129.99370	1.3
189.16631	1.6
201.80115	1.2
240.59464	1.3
249.18614	2.0
251.20187	7.8
303.23288	2.1
315.26968	3.4
326.44516	1.3
341.24704	6.5
349.48883	1.2
359.25879	100.0
360.26257	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
61.98832	0.4
62.49662	0.3
69.37849	1.0
69.38241	0.5
70.02982	1.4
71.01377	4.9
72.00912	1.1
78.06445	0.4
83.05004	0.4
85.02969	0.9
88.04038	29.6
89.02441	1.3
89.04376	0.5
95.02507	0.7
101.02463	0.6
113.02421	0.5
113.03577	4.4
114.01974	6.0
114.03895	1.6
114.05596	1.3
115.00365	10.8
115.02298	0.9
119.03500	0.7
131.04625	13.2
132.03026	100.0
132.04996	4.4
133.03415	2.1
171.10225	0.4
181.08708	0.5
196.29042	0.3
209.11780	2.2
210.11990	0.4
227.12901	0.6
345.07730	0.4
360.16498	2.5
361.14801	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
61.98817	3.0
69.00947	3.6
69.28313	11.7
71.01371	5.6
85.61177	1.9
93.03444	5.7
104.81976	2.4
105.13807	2.0
109.06564	2.9
110.06937	3.6
150.10439	4.4
163.11281	2.9
164.11644	2.7
165.12825	32.0
166.13144	5.1
188.97749	2.1
199.09659	3.6
207.10277	4.0
208.10512	3.6
232.63823	2.2
244.10745	10.0
246.22775	2.3
247.20671	13.7
248.20985	4.2
252.43658	2.2
259.00864	2.1
273.18536	6.3
291.19644	100.0
292.19980	49.1
292.30573	2.3
313.17859	29.7
314.18073	5.3
360.17929	91.7
361.18237	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
60.55196	1.1
65.35884	1.4
69.62852	3.3
86.27574	1.3
95.05009	8.1
98.22632	2.6
101.98264	1.3
113.76213	1.4
178.03583	1.6
207.69617	1.5
217.12064	3.4
220.06548	1.3
237.14642	2.0
246.12366	5.5
249.22174	3.0
275.55759	1.6
278.11301	8.9
279.12039	1.5
295.22647	1.5
315.19559	1.5
316.23090	1.4
317.20966	100.0
318.21310	8.5
321.10446	1.9
360.14261	1.6
360.21381	20.1
361.20193	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92458	19.8
61.98832	28.9
69.19615	100.0
69.20017	50.2
70.04554	20.3
71.01379	45.1
78.76682	19.2
79.69721	19.5
85.62251	21.1
88.93158	19.1
99.83721	20.9
101.44288	19.5
109.06647	25.3
180.08400	26.0
293.21283	47.1
313.17780	26.2
314.18121	26.0
357.70337	22.5
361.13217	29.2
361.19821	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07554	10.1
59.01365	29.9
65.57117	10.3
74.28133	10.2
95.06668	10.3
99.92568	15.3
172.78349	11.7
191.61394	11.1
277.21597	23.3
278.22064	100.0
360.22314	33.4
361.27356	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87238	0.6
54.61492	0.6
59.01377	22.9
60.01694	1.2
61.98830	7.0
69.31699	0.6
72.00905	5.1
74.02467	7.7
110.00963	0.8
110.93150	0.6
117.00431	2.7
123.00891	2.6
126.00468	6.5
131.03798	3.3
132.04555	15.7
138.03212	1.8
141.00380	0.9
144.04546	31.3
145.04930	1.9
146.06119	16.7
153.99954	2.7
158.06097	2.4
172.01013	39.7
173.01125	3.2
174.02515	1.4
174.99303	4.4
175.08725	1.6
182.74249	0.7
183.05620	1.5
187.01164	0.9
201.02310	0.7
202.15739	0.7
202.98674	1.3
203.02264	4.2
204.05116	1.9
213.05103	3.5
217.00301	16.9
218.00658	1.8
219.00648	2.1
219.07733	11.5
219.97725	2.2
232.04657	1.3
241.04764	0.9
244.04654	2.4
246.06221	15.5
247.06357	2.5
255.06380	0.8
256.06448	0.6
257.07751	1.3
259.05722	6.0
260.05948	1.3
266.08249	1.3
275.08963	0.7
277.06760	1.2
282.11426	3.1
283.05710	1.8
301.06772	100.0
302.07028	16.6
319.07837	40.9
320.08084	6.0
349.73102	0.7
361.01382	1.3
361.09116	3.0
362.06723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56986	1.5
59.01379	92.7
61.98838	11.9
63.21063	1.5
63.21386	1.5
65.93723	1.5
67.98689	1.6
71.01376	12.4
73.02943	5.1
75.80113	1.5
77.13798	1.6
79.54749	1.6
80.67112	1.7
85.02950	6.4
90.40176	1.5
95.01400	4.6
96.96026	1.9
97.01603	1.4
99.00900	2.0
101.02422	9.9
103.92120	1.9
113.02444	6.8
121.02968	2.6
123.00887	100.0
123.04526	1.9
124.01717	14.2
137.02469	6.7
138.03230	88.1
139.04022	29.7
139.05009	1.1
145.98470	1.6
146.32187	1.5
147.06639	10.1
149.02449	2.1
151.04001	4.0
159.03012	2.1
161.04553	30.7
166.02710	2.7
174.99245	14.1
178.02719	2.6
181.05034	10.1
183.05307	1.6
193.05009	2.2
201.02583	1.9
202.98718	9.2
203.02251	9.0
217.00296	38.7
218.00522	2.6
219.00621	3.6
219.97754	4.9
284.74249	1.5
301.09357	43.1
302.09488	4.7
305.25098	1.6
327.31799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17207	0.4
59.01382	5.4
61.98830	0.6
69.99074	1.3
71.01373	3.6
72.99313	0.5
73.02974	0.8
85.02972	1.7
87.00921	0.4
89.02483	2.0
91.75357	0.4
95.01408	0.6
96.96049	1.6
98.16965	0.4
101.01897	0.5
101.02448	3.0
109.02981	1.8
113.02449	1.1
119.03516	0.9
121.02968	3.4
129.01912	0.6
135.04547	0.9
145.02960	0.5
145.05345	1.2
146.03740	0.6
149.02466	0.8
160.04031	2.0
161.02466	0.6
161.04756	2.2
174.03218	0.7
185.06075	0.9
189.04314	3.0
191.26648	0.5
195.04630	0.5
196.05312	0.6
199.07755	0.9
209.05974	2.9
210.06822	0.6
211.04066	2.7
211.07607	0.9
212.04753	4.6
213.05527	1.7
221.06747	0.6
224.04768	0.7
225.05521	1.7
226.06465	1.1
227.07191	4.0
235.03983	0.9
236.04735	0.6
237.05568	6.1
238.06090	1.2
239.03525	4.2
239.07176	0.8
240.04277	66.0
241.04671	5.8
241.08664	0.8
242.05919	0.6
247.03963	0.6
248.04692	1.0
253.05164	1.4
254.05885	2.9
255.06625	16.4
255.10999	0.6
256.07001	1.6
264.04175	0.9
265.05063	7.3
266.05615	1.3
267.06592	0.7
267.11313	0.9
269.08185	4.8
270.05930	0.9
270.08920	8.1
271.05899	0.7
271.09421	1.1
277.04959	0.6
283.06113	30.0
284.06555	2.3
285.07736	2.3
286.08771	0.6
295.06067	0.8
297.07632	0.9
298.08466	52.5
299.08768	4.7
301.10764	0.8
311.10263	1.7
313.10806	100.0
314.11160	9.8
328.09427	1.7
329.11438	0.6
331.13022	0.9
331.17340	0.6
343.12628	4.0
361.12906	15.8
361.22220	0.9
362.13138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03448	1.9
58.00560	0.9
59.01379	42.9
61.98814	1.8
69.03458	1.4
69.95004	1.6
69.95342	1.0
71.01015	1.2
71.01382	19.4
72.99321	2.3
73.02937	3.0
83.01368	1.3
85.02947	4.9
87.00860	2.3
88.04072	1.0
89.02438	16.5
89.02946	1.5
93.31765	0.7
95.01367	2.1
95.39590	0.8
96.96015	7.9
101.02443	14.5
104.66437	0.7
107.08669	14.8
109.02871	0.8
111.04478	1.0
113.02453	7.6
114.05601	3.7
119.03510	7.5
119.08656	2.5
123.04561	0.9
123.08139	2.8
124.43396	0.8
127.01252	0.8
131.04605	1.7
132.03023	6.6
133.03459	0.9
137.09740	1.2
140.77446	0.8
143.03481	0.8
148.04243	0.8
151.07700	1.6
153.09142	1.5
159.04318	0.8
161.04512	1.2
162.05598	1.7
163.07626	1.3
171.11839	1.5
174.99196	0.8
179.05583	0.8
181.08704	21.3
182.09059	1.1
188.04791	1.9
199.00085	1.0
199.09752	23.5
200.10081	1.3
209.11842	2.0
210.12134	2.6
221.08145	3.9
227.12883	1.2
228.13268	1.6
237.15076	1.8
265.07156	2.3
281.13895	2.6
312.02917	0.8
354.76297	0.8
361.09720	14.2
361.14975	100.0
362.10464	1.1
362.15103	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92472	0.7
57.03431	1.1
59.01376	32.1
60.50527	0.7
61.09829	0.8
61.98819	1.0
69.59766	2.4
71.01363	1.0
74.36572	0.7
75.00876	1.2
83.05020	3.5
85.02914	1.0
85.06590	1.7
95.05029	1.0
97.06590	2.2
98.22585	1.6
99.08160	4.4
101.02431	1.1
113.09731	4.4
116.92834	1.3
134.04828	0.8
153.12804	0.8
155.14449	1.2
160.03990	1.2
161.06065	0.8
165.12784	1.1
179.07233	0.9
183.14008	0.8
184.53842	0.8
185.15514	1.0
203.05182	0.8
209.11894	4.4
209.15468	2.1
211.13298	4.0
227.13016	1.2
227.16524	27.6
228.16751	2.5
229.14433	80.3
230.14786	6.4
267.08942	1.6
271.15421	9.2
282.11450	5.5
284.03207	0.9
289.16559	100.0
290.16922	8.3
317.16061	9.1
318.16409	1.4
361.15363	3.4
361.22430	2.5
362.07016	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Sauriol A
Peak:m/z	Relative Intensity
55.01884	1.1
57.03429	1.2
59.01383	18.7
64.11817	0.6
71.01384	7.8
73.02934	3.3
73.35491	0.7
74.93690	0.6
81.33456	0.7
83.01382	2.1
85.02955	4.2
87.00880	0.8
89.02435	3.1
93.03449	4.2
95.01374	1.1
95.05049	0.8
97.96705	0.7
101.02431	6.0
108.02163	1.0
109.02955	10.6
113.02433	2.7
119.03487	1.0
121.02956	40.4
122.03757	34.9
123.04588	5.5
124.01629	0.8
129.03416	2.4
133.01564	0.9
134.03732	1.6
135.04482	4.5
136.05302	2.4
137.02388	1.7
146.03748	2.2
147.04529	16.6
148.05299	1.2
149.06071	2.0
150.04227	2.5
154.02713	1.2
155.10789	1.3
159.04517	0.8
160.05260	1.0
161.06107	5.8
164.04796	2.0
165.05565	48.5
166.05896	1.9
171.10185	1.0
173.06021	1.0
175.07655	1.0
176.08438	0.9
178.06381	1.4
179.07130	18.8
180.07550	1.1
180.99872	0.7
181.12367	1.7
185.11827	0.9
191.07141	1.7
197.11938	0.7
199.13434	3.7
209.08121	2.3
209.11838	5.3
222.88792	0.8
223.09677	1.9
255.16559	0.8
298.12039	2.3
301.10779	1.2
313.14496	1.4
315.12329	5.9
316.12781	2.0
331.15549	0.8
346.14169	12.9
361.16141	100.0
362.16412	10.5
362.22845	0.9
369.05481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54824	1.0
53.15845	1.0
53.73352	1.0
59.01377	16.3
79.95724	1.3
80.96529	1.7
98.21844	1.9
122.23492	1.1
132.00320	1.3
156.58583	1.1
175.10109	1.2
181.69398	1.1
183.29802	1.3
217.46349	1.0
279.23297	100.0
280.23709	8.4
361.14569	1.6
361.23602	20.1
361.27631	1.3
362.23840	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2748
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
59.01371	7.4
71.01409	1.6
71.05018	6.8
73.58382	1.5
85.23050	1.6
98.22789	3.5
108.69291	1.6
171.10216	2.9
189.16472	2.0
221.15514	2.3
242.62225	1.6
277.21735	4.0
289.21783	1.7
299.27423	6.2
303.23273	72.4
304.23706	5.4
338.09622	2.0
343.26395	97.2
344.26709	14.2
346.08228	1.8
361.27454	100.0
362.27631	14.5
374.75613	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2749
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
61.98827	32.0
62.08717	3.4
67.29386	3.7
87.38786	3.8
99.92596	5.2
251.20132	100.0
252.20535	8.6
343.26471	8.4
356.09824	4.5
361.23462	5.8
361.27484	64.6
362.27704	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83680	0.4
59.01378	2.7
61.98829	17.4
63.83085	0.4
69.47243	1.8
71.01381	0.9
75.90825	0.5
79.95741	10.2
80.96513	2.2
84.87521	0.4
92.05061	1.1
93.03479	0.8
96.96049	0.8
108.02168	0.8
137.02393	1.1
149.06059	0.8
160.04018	1.1
161.04756	1.7
162.05605	0.6
167.58539	0.5
174.01654	0.7
174.05585	1.6
175.06314	1.9
176.07156	14.0
177.07375	0.6
181.05176	0.5
183.99266	3.4
201.11339	0.6
238.06323	1.5
239.06876	0.5
263.09641	0.6
266.08206	40.1
267.08719	5.2
280.09656	0.8
282.11356	100.0
283.11667	10.6
299.07800	1.7
303.03000	1.4
321.04010	0.8
339.10529	0.5
362.07034	66.4
363.07932	7.2
363.16559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99298	0.5
55.72861	0.4
59.01395	2.9
61.98832	16.3
71.01378	0.6
71.05759	0.6
79.95286	0.9
79.95737	9.9
80.96520	2.4
86.07729	0.4
92.05050	1.1
93.03479	0.8
96.95989	1.1
98.70428	0.5
101.02395	0.6
108.02203	1.0
135.04530	0.5
137.02431	1.3
138.05611	0.5
141.40573	0.4
149.06143	0.9
152.01154	0.9
160.04071	1.2
161.04822	2.5
162.05560	1.3
166.58714	0.5
174.05602	1.9
175.06381	2.0
176.07175	14.6
177.07477	0.6
183.99275	3.3
201.11343	0.6
203.68721	0.5
225.07832	0.5
238.06306	1.2
239.07162	0.6
240.10365	0.6
266.08224	45.3
267.08710	6.1
280.09921	0.8
282.11371	100.0
283.11685	8.8
299.07767	0.9
303.03098	1.4
362.07053	74.6
363.07217	6.9
363.16513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.5
61.54752	0.5
61.98828	100.0
65.58893	0.6
69.88412	1.7
69.88770	0.5
71.01374	0.7
75.79961	0.5
80.16838	0.5
87.94515	0.5
98.21910	1.0
101.38362	0.5
119.05000	0.7
120.05388	0.7
127.52685	0.7
138.06438	0.7
163.04060	0.9
244.46103	0.6
278.07550	0.6
282.11392	2.4
289.65717	0.6
362.07196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33196	5.2
59.01363	7.0
61.98819	9.3
70.50633	9.1
95.05029	47.9
98.26495	4.5
101.55399	5.0
112.70222	4.6
124.47215	5.1
195.13919	11.7
223.13277	10.2
246.12357	44.1
247.12614	8.9
271.06674	5.0
278.11328	93.0
279.11700	24.1
279.19577	9.8
293.21201	100.0
294.21573	63.0
295.22046	6.9
315.19379	41.9
316.19733	10.1
325.10153	5.1
345.24127	5.2
356.90820	6.6
362.19492	89.2
363.20255	10.7
363.25351	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	78.1
62.25687	26.5
69.66777	100.0
70.85261	28.8
87.00864	66.4
98.21901	45.0
109.35379	32.6
121.01889	29.1
182.46849	31.3
182.93266	30.4
238.01254	30.4
278.31787	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.22773	1.3
69.03448	2.2
69.96808	1.5
69.97140	2.4
83.05000	1.1
85.02944	9.9
97.02945	1.7
105.00549	1.2
137.09708	3.5
171.08846	1.0
171.10251	25.0
183.13873	3.3
211.13387	6.6
229.14372	4.6
232.05261	4.7
233.05991	3.2
260.04712	4.4
261.05563	14.1
262.05975	1.7
289.05069	21.6
290.05466	3.3
291.19766	1.7
317.04587	11.3
318.05185	7.5
319.06097	3.3
327.21738	100.0
328.22018	7.3
350.04318	6.4
363.05081	26.0
363.17859	1.9
364.05475	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20966	0.5
69.71386	1.7
76.41334	0.5
80.18303	0.5
97.52185	0.4
98.21847	0.5
118.22260	0.4
119.40009	0.4
123.56823	0.5
128.90596	0.5
135.77499	0.6
141.25102	0.5
171.10242	0.7
197.11829	0.7
205.06601	0.7
209.11816	1.1
217.06589	0.6
219.04575	1.2
227.12587	0.5
231.04543	1.7
232.05276	13.0
233.06064	9.2
245.06013	0.7
250.47574	0.6
259.03986	3.3
260.04767	20.5
261.05542	80.7
262.05902	7.8
275.20129	0.5
277.05133	0.6
287.03421	0.7
289.05066	100.0
290.05383	9.7
307.19257	1.6
319.06067	0.9
325.20090	2.5
327.21707	3.4
363.05084	49.5
364.05374	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.22773	1.3
69.03448	2.2
69.96808	1.5
69.97140	2.4
83.05000	1.1
85.02944	9.9
97.02945	1.7
105.00549	1.2
137.09708	3.5
171.08846	1.0
171.10251	25.0
183.13873	3.3
211.13387	6.6
229.14372	4.6
232.05261	4.7
233.05991	3.2
260.04712	4.4
261.05563	14.1
262.05975	1.7
289.05069	21.6
290.05466	3.3
291.19766	1.7
317.04587	11.3
318.05185	7.5
319.06097	3.3
327.21738	100.0
328.22018	7.3
350.04318	6.4
363.05081	26.0
363.17859	1.9
364.05475	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55072	0.5
63.06168	0.5
66.49741	0.5
69.36806	2.5
75.64442	0.5
82.63765	0.6
83.78102	0.5
89.25215	0.5
98.22549	0.9
98.42841	0.6
175.05464	1.3
203.05042	3.0
204.05745	1.8
205.06564	1.7
207.04504	0.5
215.04993	1.0
217.06526	0.6
221.05988	2.7
222.06401	0.7
231.04543	3.3
232.05264	12.5
233.06071	10.4
235.03995	0.9
236.28000	0.6
245.06108	2.1
247.03951	0.9
248.04784	1.5
249.05553	0.7
259.04034	3.7
260.04788	12.0
261.05539	42.8
262.06039	5.9
263.03586	0.8
263.07159	3.1
264.07468	0.7
276.04242	1.0
287.03461	2.8
288.04199	2.8
289.05069	72.4
290.05536	12.0
291.06604	4.2
301.05154	0.9
315.03250	0.7
317.04535	41.0
318.05261	29.3
319.05862	6.9
321.04233	0.6
327.21396	1.1
350.04333	24.8
351.04507	3.4
363.05099	100.0
364.05420	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0509
Annotation	Justicidone
Peak:m/z	Relative Intensity
53.59633	0.4
56.25725	0.4
69.51325	1.2
93.03473	0.9
93.49207	0.3
98.21922	0.7
140.60197	0.3
188.71852	0.3
193.06642	0.7
204.05840	1.0
205.06635	1.1
206.07359	0.8
207.71178	0.4
217.06610	0.6
220.05299	1.0
221.06119	1.6
222.06560	0.5
231.04448	0.6
232.05252	1.5
233.06056	5.3
234.06802	1.6
235.07632	2.3
245.05934	0.8
247.03987	1.9
248.04718	2.0
249.05508	2.0
250.06393	1.7
251.07126	1.8
259.03998	1.0
260.04730	1.6
261.05530	16.3
261.08282	0.8
262.06271	8.4
263.07095	3.6
265.04959	0.5
267.03101	0.6
267.06686	0.4
273.05664	0.6
275.03549	0.5
276.04321	1.4
277.04987	3.2
278.05765	1.4
279.06598	4.5
280.07016	0.4
287.03503	1.4
289.05051	9.4
290.05728	3.3
291.06503	1.8
295.06015	0.4
304.03589	0.4
305.04538	4.3
306.05292	6.4
307.06091	8.5
308.06567	0.8
333.03961	2.0
334.04770	11.7
335.05582	17.6
336.06003	2.4
345.24402	0.8
363.05096	100.0
364.05432	12.8
364.10001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89916	0.7
70.50147	1.8
72.85785	0.9
85.02908	0.8
171.10190	1.1
175.05536	6.3
193.06563	3.8
203.05032	21.0
204.05704	3.8
205.06540	3.3
211.13394	0.9
217.92404	0.7
219.04572	1.0
221.06062	11.2
222.06372	1.2
231.04492	16.7
232.05231	13.2
233.06029	11.6
234.06464	1.0
235.03818	1.8
235.07465	1.1
249.05585	8.5
250.05774	0.8
259.03973	24.5
260.04739	12.0
261.05533	38.5
262.05902	4.2
263.07190	1.6
287.03415	2.6
288.04053	1.8
289.05051	100.0
290.05426	10.7
291.06641	1.8
307.06131	2.1
317.04599	1.9
318.05270	1.5
319.06082	38.8
320.06485	4.1
327.21835	6.4
342.68924	0.8
363.05096	14.3
364.05347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15967	0.4
68.99813	0.4
69.60654	0.9
69.61033	0.8
81.07154	0.4
93.03416	0.6
93.54268	0.3
96.96017	1.8
133.08096	0.3
158.03680	0.4
193.06551	0.6
205.06506	0.6
217.06569	0.6
220.05258	0.6
221.06120	1.2
222.71750	0.4
226.13799	0.3
227.12154	0.4
231.04596	0.5
232.05263	1.5
233.06073	4.3
234.06741	1.4
235.07677	2.3
237.05615	0.6
245.06042	0.9
247.03931	1.3
248.04733	2.3
249.05649	1.7
250.06227	2.0
251.07097	1.5
259.04099	0.8
260.04761	1.5
261.05554	14.8
262.06293	9.0
263.07022	4.0
264.07422	0.5
267.02921	0.4
267.06726	0.4
273.05838	0.5
275.03577	0.5
276.04294	1.3
277.05115	2.9
278.05798	0.9
279.06610	3.5
280.06851	0.5
287.03442	1.4
288.04071	0.5
289.05042	8.3
290.05734	3.5
291.06461	1.6
304.03812	0.5
305.04501	3.9
306.05322	5.0
307.06100	7.9
308.06403	0.8
317.04596	1.2
327.21576	2.0
333.04004	2.1
334.04788	10.6
335.05579	18.3
336.06046	1.7
362.04529	0.5
363.05084	100.0
364.05399	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
56.95943	0.7
57.03432	1.4
59.01379	43.9
61.98809	0.7
62.22757	0.7
69.64087	2.3
71.01381	16.1
71.73515	0.7
72.99303	2.4
73.02939	1.7
75.65065	0.7
83.01389	0.9
85.02963	4.0
87.00876	0.9
89.02441	17.2
95.01378	1.2
96.95972	0.7
98.21952	0.9
101.02450	10.7
107.08658	1.5
109.10220	2.0
113.02454	5.7
119.03500	7.3
121.10236	1.3
123.08059	1.0
125.09656	1.0
131.17172	0.7
138.05602	2.6
139.11290	3.7
165.05615	0.9
168.50198	0.7
179.05594	2.2
183.10265	36.9
184.10594	2.2
201.11333	12.9
257.12997	4.3
328.11594	0.9
345.10880	1.1
363.16592	100.0
364.16858	8.5
387.52850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50121	0.5
53.29802	0.5
54.30874	0.5
57.03439	0.6
58.73812	0.5
59.01378	100.0
60.01714	1.4
61.98829	1.8
69.31920	1.1
69.32336	1.9
71.01389	1.6
79.83753	0.5
80.75797	0.5
85.02985	0.7
89.02451	0.9
96.96004	1.4
97.06614	0.5
101.02473	1.7
113.02464	0.7
116.92914	0.6
120.01282	0.9
135.03096	5.5
147.04527	1.1
155.82927	0.6
164.07155	2.6
177.65956	0.6
186.12502	2.6
203.03423	0.6
203.12952	0.6
264.27866	0.6
265.07956	0.8
288.15323	0.5
290.18503	0.6
295.74481	0.5
319.12073	0.8
319.18893	0.7
341.40292	0.6
358.65781	0.7
360.29065	0.6
363.12451	3.5
363.17319	1.5
363.23947	1.3
364.18744	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12757	0.5
55.72698	0.5
57.05849	0.6
59.01378	100.0
60.01708	1.3
62.70086	0.5
69.40680	1.3
69.41073	1.4
71.01389	1.4
85.02966	1.2
89.02443	1.2
98.22606	1.2
98.25365	0.6
101.02434	1.0
105.01954	0.5
113.02466	0.9
113.90775	0.7
135.03165	1.4
158.03773	1.8
159.04535	2.6
180.50069	0.5
202.02731	6.5
203.03468	4.8
211.09746	0.8
233.11572	0.6
235.40791	0.6
275.09433	1.0
303.11978	1.0
363.07257	2.2
363.23810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62438	1.1
55.01870	1.4
59.01379	100.0
61.98833	2.6
67.15475	1.2
68.37775	0.9
71.01385	43.0
72.99303	1.1
73.02949	1.4
83.01387	3.4
83.05030	1.3
85.02944	9.8
87.00860	2.4
89.02439	48.9
95.01383	2.8
99.00883	1.3
99.08190	1.2
101.02445	30.7
102.02780	1.1
107.08774	1.0
113.02448	15.8
119.03506	23.0
131.03534	2.3
134.03731	2.3
137.84058	1.0
149.04593	1.4
161.04492	1.5
177.69937	1.2
179.05627	2.6
183.13892	16.9
187.11456	1.2
199.40709	1.2
201.14987	3.8
208.43102	1.0
211.13318	1.0
229.27188	1.2
231.10263	1.8
275.09311	4.4
284.58762	1.2
289.18015	1.2
327.21927	1.7
345.58173	1.1
363.05142	1.5
363.20285	76.0
364.20834	6.2
385.48245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16099	11.4
61.98819	100.0
88.17329	11.8
103.56413	11.1
253.21056	16.1
270.75238	12.5
363.28726	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72202	27.1
69.65609	100.0
84.90923	30.8
141.01743	26.4
265.38055	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13326	1.0
59.01387	1.4
59.97854	0.8
62.49881	0.9
69.53531	1.7
69.53916	1.9
75.23988	0.8
78.40803	0.8
79.95740	40.5
80.96528	3.5
89.07890	0.8
106.04228	1.2
107.05029	9.4
122.21931	0.8
143.00101	0.8
160.04024	2.7
161.04857	5.2
162.04259	1.9
162.05611	36.2
163.05911	1.5
176.07173	21.3
192.07451	0.9
238.24675	0.9
242.01282	68.8
243.01617	3.6
257.03629	5.8
272.02420	2.9
284.12939	21.9
285.13165	2.3
326.15298	0.9
364.08612	100.0
365.08868	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51394	0.4
50.92861	0.5
54.45862	0.5
54.58576	0.4
70.75260	0.5
103.45959	0.5
139.88863	0.4
149.89909	0.4
151.61613	0.5
158.74022	0.5
191.78647	0.5
221.06049	2.4
222.06842	1.1
232.05150	0.6
233.06076	2.3
234.06601	0.7
247.04010	1.4
248.04771	2.1
249.05548	16.2
250.06175	3.2
260.04742	1.6
261.05579	4.0
262.06348	1.3
263.03412	1.7
263.07065	2.1
265.05011	1.2
265.76520	0.5
267.06516	0.5
275.03442	2.1
276.04245	3.0
277.05038	38.4
278.05502	3.9
289.05060	2.7
290.05716	1.5
291.03430	0.8
291.06577	3.8
293.04477	2.2
303.03003	2.5
305.04559	25.9
306.05170	5.2
319.06000	1.7
320.03250	0.7
321.04041	5.8
321.07449	1.1
322.04761	8.4
323.05148	1.0
327.21725	1.3
329.23285	1.0
349.03418	4.4
350.04291	100.0
351.04626	11.2
365.06635	96.3
366.06976	12.9
366.11600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0662
Annotation	Haplomyrtin
Peak:m/z	Relative Intensity
55.10187	0.6
60.21250	0.5
68.99818	3.7
74.69153	0.5
85.07658	0.5
93.05401	0.7
116.37270	0.6
136.04073	1.8
171.10332	1.0
191.05066	0.9
194.03856	0.8
195.04494	6.8
196.04871	0.7
197.11766	1.5
207.04512	1.4
208.05252	0.6
209.06079	1.0
211.04054	1.3
217.59769	0.6
219.04543	2.1
221.06160	0.7
222.03203	0.7
223.04028	6.6
224.04475	0.6
225.05597	0.7
233.06274	0.6
234.06822	1.0
235.03996	8.1
236.04608	1.1
237.01971	3.8
237.05609	3.0
238.02748	2.6
238.06351	14.1
239.03430	2.6
239.06767	1.2
243.03017	1.1
247.03978	1.2
249.05565	0.9
249.56351	0.6
250.06392	0.7
251.03485	5.3
252.04236	4.3
253.05074	3.2
253.08798	0.6
254.05644	0.9
260.04959	0.6
262.02719	1.4
263.03485	38.7
264.03876	3.9
265.05310	0.8
266.02219	1.9
266.05844	2.4
267.02917	1.6
267.06580	2.2
268.03683	1.0
269.00940	2.9
275.03561	1.0
276.04266	0.8
277.04971	2.7
278.02292	0.7
278.05869	2.4
279.03055	4.9
279.06088	1.0
280.03711	1.9
281.04575	15.7
282.05273	5.1
283.05753	1.0
291.02997	12.5
292.03409	1.6
293.04510	1.8
293.07715	0.7
294.05371	1.4
305.04553	1.7
306.05307	13.1
307.02457	1.6
307.05884	1.8
308.03152	1.3
309.07706	1.5
321.03995	0.8
321.07568	0.9
322.04712	2.3
327.21844	7.8
328.22150	0.9
329.23215	4.6
337.07150	12.7
338.07483	0.9
350.04352	0.8
351.05032	0.7
365.06635	100.0
366.07062	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49245	1.1
70.65525	2.0
74.14975	1.0
103.52026	1.4
144.41838	1.2
185.11810	1.9
191.05019	1.4
192.05865	1.1
204.05788	3.2
205.06561	5.0
209.11758	1.9
217.06514	3.3
220.05228	4.6
232.05342	1.7
233.06039	10.7
235.07651	2.5
243.04581	2.1
245.05998	6.8
246.06717	2.4
247.07565	4.0
248.04774	32.3
249.05370	10.0
250.06221	2.7
251.07092	2.9
260.04611	2.1
261.05539	19.4
262.06201	4.7
263.03561	2.1
263.07111	27.9
264.04230	3.7
264.07678	5.0
265.04944	2.1
265.08621	4.0
266.05780	1.7
273.05563	1.7
274.06244	3.8
275.03854	1.6
275.07065	5.0
276.04303	7.0
276.06976	1.2
277.05045	17.4
278.05743	3.9
279.06439	1.6
290.05768	5.1
291.06607	62.9
292.03708	9.3
292.07001	7.4
293.04483	3.5
293.08148	16.3
294.08661	1.6
300.07410	1.3
303.06329	1.6
305.04425	4.0
306.05176	3.2
307.05988	10.4
320.03189	8.5
321.03900	5.4
321.07593	15.5
322.04861	2.0
322.08362	27.0
323.08554	3.0
327.21643	3.6
329.23129	7.0
335.05582	31.1
336.05933	2.9
349.07025	4.2
350.04163	35.0
350.07941	32.6
351.04517	2.7
351.08273	4.3
365.06451	62.9
365.10291	100.0
366.06735	7.4
366.10812	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0664
Annotation	Tetracenomycin F1
Peak:m/z	Relative Intensity
60.83772	1.3
69.08977	9.1
73.65276	1.4
91.01889	17.5
93.89386	1.2
98.21770	2.8
109.02948	4.4
111.91386	1.3
119.01394	20.7
121.02959	12.7
137.02441	11.3
141.03461	21.3
143.05089	2.2
146.89613	1.2
149.02458	17.1
159.04491	2.8
169.02937	14.3
171.04515	28.8
175.05499	21.5
187.05533	3.5
193.06583	21.7
194.06912	1.7
199.04056	5.2
203.05042	9.0
204.05788	15.1
205.06546	16.8
206.07152	1.7
217.06522	1.6
221.06058	23.9
222.06476	1.7
231.04495	63.3
232.05164	19.4
233.06052	35.3
234.06508	2.9
235.07610	6.6
249.74905	1.3
259.03998	2.1
261.05542	100.0
262.05936	10.5
263.07108	8.8
276.04147	1.4
277.04993	1.9
279.06625	14.2
289.04926	2.4
291.06641	34.9
291.19836	1.8
292.07193	8.5
293.08017	2.0
303.89120	1.5
305.04352	2.3
321.03766	3.1
321.07663	63.3
322.08051	8.1
327.21735	9.8
329.23029	3.1
365.06610	37.3
365.19449	2.2
366.06940	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0664
Annotation	Arnottin II
Peak:m/z	Relative Intensity
53.61759	0.5
55.70856	0.5
59.01362	1.0
66.97198	0.6
68.99825	3.4
69.11103	3.7
71.62390	0.6
72.99317	0.7
73.59508	0.5
75.00854	0.9
88.04032	1.4
96.96016	5.3
133.46925	0.6
148.40021	0.6
191.04953	1.2
195.04523	7.0
207.04535	0.9
209.06219	0.6
211.04028	1.3
214.17299	0.5
219.04547	2.0
222.03296	0.9
222.06963	0.6
223.03975	7.1
224.04736	1.1
234.06943	1.0
235.04005	9.6
236.04703	1.1
237.01834	2.8
237.05611	2.3
238.02763	3.8
238.06348	13.6
239.03574	3.0
239.06726	1.6
247.04005	1.1
248.04852	0.7
249.05539	1.5
250.02693	1.0
250.06248	0.7
251.03477	6.8
252.04243	4.9
253.05038	2.8
253.08385	0.8
254.05617	0.7
254.95914	0.7
262.02786	1.6
263.03485	39.3
264.03958	3.2
265.01730	0.7
265.04953	0.8
266.02182	2.1
266.05859	2.2
267.02875	0.9
267.06543	2.5
268.03821	1.3
269.00879	2.4
275.03522	1.3
277.05072	4.1
277.15070	0.5
278.05795	3.9
279.02960	4.8
279.06119	1.1
280.03726	1.9
281.04562	13.6
282.05286	5.9
283.05994	1.0
285.20758	0.8
290.02246	0.8
291.02988	14.5
291.06229	0.9
292.03482	1.7
293.04535	2.0
294.05258	2.0
305.04507	2.1
306.05304	13.7
307.02386	2.6
307.05811	1.6
308.03262	1.3
309.07956	0.8
321.04266	1.1
321.07675	1.2
322.04803	2.7
327.21848	1.4
337.07169	14.2
338.07568	1.9
350.04321	1.3
365.06647	100.0
365.19644	1.5
366.06995	12.2
366.19696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01379	3.2
69.76860	1.1
71.01366	1.0
73.02921	1.0
74.01662	0.4
80.91678	0.5
85.02941	0.5
89.02422	0.6
96.17666	0.4
115.92091	0.4
154.06238	0.9
158.03723	14.6
159.04515	7.7
159.43896	0.4
160.04807	0.6
171.04509	1.9
173.06027	0.4
184.05287	0.5
201.01921	0.6
201.05598	2.9
202.02710	100.0
203.03174	7.6
213.05542	2.3
215.03496	0.4
231.06664	1.1
245.04530	1.4
275.05630	1.9
365.08762	57.5
366.09067	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1028
Annotation	Puerarostan
Peak:m/z	Relative Intensity
50.90363	0.6
63.89554	0.7
69.55962	1.3
69.56351	1.1
91.07884	0.6
109.02913	0.9
114.72054	0.7
123.40548	0.7
136.04042	0.8
136.71678	0.8
191.05142	1.2
193.06586	1.0
204.05772	2.2
205.06575	3.9
209.06094	0.7
209.11856	0.8
215.05122	0.8
217.06566	2.3
218.07182	0.8
220.05307	4.0
221.05939	1.4
223.07817	0.8
232.05380	1.6
233.06061	9.9
234.06511	1.2
235.03979	0.8
235.07608	1.9
236.04767	0.9
243.04477	0.9
244.05141	0.8
245.06078	6.0
246.06767	2.4
247.03935	1.4
247.07576	1.6
248.04771	32.8
249.05482	7.4
250.06219	2.2
251.07072	2.3
252.04338	0.7
260.04584	1.7
261.05551	13.0
262.06296	4.5
263.03766	1.3
263.07098	22.1
264.04645	3.5
264.07626	4.6
265.04974	1.8
265.08636	2.2
266.05853	0.9
273.05673	1.4
274.06381	2.1
275.03497	1.4
275.07053	3.4
276.04282	5.6
277.05051	12.3
278.05646	3.5
279.06357	0.8
289.05112	1.2
290.05832	5.1
291.06613	48.2
292.03693	8.8
292.07086	6.0
293.04337	2.1
293.08115	12.6
294.08517	1.7
303.06543	0.7
304.03653	1.5
305.04608	4.0
305.07767	0.9
306.05496	3.0
306.08450	0.8
307.06058	10.3
308.06253	1.1
319.06094	0.7
320.03302	6.0
321.03885	4.5
321.07648	12.2
322.05026	1.4
322.08414	24.4
323.08701	2.6
327.21826	1.2
329.23203	2.9
333.03885	1.1
334.04938	1.5
335.05566	25.5
336.05807	3.3
349.03540	1.0
349.07156	5.9
350.04169	28.6
350.07947	31.7
351.04480	3.2
351.08276	4.0
365.06454	45.9
365.10294	100.0
366.06769	6.9
366.10635	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93984	0.5
59.01373	2.4
60.81791	0.6
69.03426	0.7
83.01426	0.7
96.96003	1.2
97.06564	0.6
98.21815	1.4
99.92589	2.5
108.02161	4.4
108.13025	0.6
117.38073	0.6
119.01423	0.8
124.74561	0.6
136.01662	1.3
139.96721	0.5
141.86836	1.0
141.93210	1.4
155.10683	1.2
165.12886	1.8
171.04573	0.9
171.10254	2.2
173.02528	0.9
181.06657	0.8
189.07060	0.6
193.06549	1.0
194.07466	0.8
195.04503	1.6
196.05280	1.3
204.05791	1.5
205.06554	1.3
206.03674	6.8
206.07439	0.9
207.04282	0.9
207.08165	2.6
208.05302	2.7
209.06032	1.7
210.06821	1.8
210.31528	0.6
211.03940	0.8
211.07774	0.9
211.13493	0.9
217.06592	1.9
219.04474	1.6
219.08104	1.7
220.05255	2.5
221.06046	4.9
222.06799	1.3
223.04021	1.2
223.07547	3.2
223.13318	0.6
224.04710	0.9
225.05511	0.6
232.05287	7.6
233.06032	9.6
234.03210	19.3
234.06757	8.1
235.03957	5.8
235.07602	11.3
236.04745	9.2
236.08012	1.0
237.05440	2.8
238.06279	1.7
243.04573	0.9
245.02325	4.0
245.06078	1.5
246.03160	2.5
246.06606	0.8
247.03979	6.3
247.07555	5.5
247.20586	0.8
248.04744	6.9
248.07903	1.0
249.05557	29.5
249.09357	1.9
250.03619	1.0
250.06163	7.5
251.07033	6.2
251.10909	0.7
252.07732	1.4
253.08784	1.2
259.04013	0.8
259.07617	0.7
260.04794	5.6
261.02158	1.1
261.05524	16.3
262.02719	9.4
262.06232	9.0
263.03470	20.8
263.07059	12.8
264.04233	29.1
264.07843	14.7
265.04999	3.4
265.08569	6.9
266.09174	1.2
273.01962	1.9
273.18613	0.8
274.02789	0.6
274.06281	1.8
275.03546	6.4
275.07132	16.6
276.04248	7.7
276.07697	3.2
277.05017	15.7
277.08582	4.7
278.02814	0.6
278.05801	17.6
278.09009	0.9
279.06601	32.2
279.09766	1.3
280.03885	1.3
280.06970	2.7
281.04330	0.8
288.04126	1.5
289.01794	1.4
289.05038	10.5
290.02255	3.5
290.05756	8.7
291.03027	61.5
291.06476	8.1
291.19595	6.1
292.03680	33.4
292.07370	20.3
293.04364	4.0
293.08154	19.8
294.05542	1.4
294.08893	15.3
295.06119	1.1
295.09387	1.0
297.11426	1.3
303.03030	1.7
303.06628	6.4
304.03732	8.4
304.07242	2.5
305.04608	15.2
305.08176	2.2
305.12100	0.6
306.05313	33.0
307.06064	30.9
307.09760	20.3
308.06534	2.3
308.10443	27.4
309.07809	2.2
309.11264	29.3
309.14487	0.6
310.11667	2.6
317.04547	2.5
318.05142	2.2
319.02448	22.1
319.06058	6.2
319.09683	1.2
320.03284	17.1
320.06873	2.7
321.07648	73.1
322.04446	0.8
322.08255	17.4
323.08759	1.5
327.21719	7.6
328.22003	1.4
329.23331	7.1
332.06961	3.6
333.04050	6.9
333.07574	1.2
334.04807	42.4
335.05548	45.8
336.05905	5.1
336.10007	9.0
337.10800	88.6
338.11108	9.5
339.04932	0.7
347.09320	1.2
349.07150	100.0
350.07779	33.3
351.08231	2.9
365.06564	4.5
365.10324	55.1
365.14496	3.5
365.23056	1.2
365.27060	1.4
366.06793	0.9
366.10916	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1029
Annotation	Vitrofolal C
Peak:m/z	Relative Intensity
57.11134	1.3
59.01358	3.0
69.74481	3.4
69.74834	2.4
84.19622	1.3
91.01900	3.3
93.03458	1.6
109.02967	1.6
116.53877	1.4
119.01326	2.0
136.01614	2.3
142.02687	1.7
145.02959	1.4
171.10202	4.0
173.06085	2.6
186.03064	2.5
201.05580	12.8
204.05740	3.1
206.03667	10.6
207.04291	1.8
209.11852	2.5
211.13425	2.3
214.02701	3.8
217.06493	2.2
219.04515	3.1
219.08014	1.5
220.05357	2.4
221.06075	4.4
227.97754	1.5
228.04333	1.8
229.04982	4.2
232.05275	5.6
233.06007	7.5
234.03220	34.8
234.06633	5.0
235.03796	4.6
235.07530	3.0
236.04753	3.9
245.02426	3.5
246.03156	4.5
247.03961	6.3
247.07588	4.5
248.04732	8.2
249.05573	42.7
250.06160	6.0
260.04715	6.6
261.05511	23.5
262.02658	13.3
262.05884	12.8
263.03436	21.3
263.06549	16.0
264.04391	12.1
264.07904	22.9
265.04697	3.4
265.08548	8.8
268.03796	8.9
275.03564	6.4
275.07101	19.4
276.04269	8.7
276.07294	2.1
277.05011	19.7
277.08582	5.0
278.05859	10.2
279.03372	1.5
279.06534	4.3
280.03806	2.2
283.06161	13.5
289.05020	7.4
290.02380	1.5
290.05606	8.1
291.02914	48.5
291.06012	21.6
291.19724	7.4
292.03687	19.0
292.07361	33.3
293.04807	1.6
293.07950	6.5
294.08664	1.6
295.06000	1.9
304.03741	2.5
305.04471	12.5
305.08002	3.1
306.05316	37.4
307.05939	15.6
307.09717	30.3
308.06580	2.2
308.10141	3.2
309.07773	2.1
309.11362	1.8
319.02396	13.6
319.06021	4.2
320.03128	12.5
320.06906	6.1
321.07672	100.0
322.08136	13.0
327.21814	11.4
328.22070	2.0
329.23367	8.3
333.03870	2.8
334.04770	16.6
335.05612	26.4
335.09268	3.8
336.05911	3.3
337.07141	2.0
337.10675	6.0
349.07147	44.4
350.04028	2.0
350.07898	28.6
351.08102	1.9
365.05933	22.9
365.10315	15.1
365.23239	2.1
366.10400	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
59.01379	100.0
69.03465	1.2
69.71596	1.5
69.71961	1.3
73.02992	0.8
81.03500	0.7
83.05026	16.2
83.05483	1.1
85.02943	1.5
92.29082	0.7
96.96011	0.8
104.14560	0.6
109.06646	0.9
119.05062	0.7
121.96096	0.6
207.67686	0.6
259.16962	0.8
303.19839	0.9
321.21042	0.7
330.20660	0.7
365.06854	1.7
365.19702	6.0
366.19791	1.0
367.89346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58220	0.6
57.03446	1.6
59.01378	58.9
59.30368	0.6
60.01700	0.9
61.98825	1.0
69.47495	2.2
71.01382	16.9
72.99293	1.0
73.02936	1.7
75.00849	0.7
77.79150	0.5
83.01380	1.3
83.18642	0.5
84.01361	0.6
85.02959	4.9
87.00850	2.3
89.02442	15.1
93.04564	1.9
95.01361	1.5
96.96014	2.6
97.28931	0.6
99.00877	0.7
101.02442	11.9
109.18289	0.6
113.02446	6.1
113.09716	0.8
119.03502	6.2
120.01268	1.9
127.11266	1.3
137.03580	1.5
141.09090	0.6
142.06636	1.8
154.06218	13.2
155.10751	2.4
157.12343	13.8
160.74915	0.5
161.04533	1.5
171.13889	1.1
185.11850	2.7
186.05630	1.2
187.13359	1.1
199.13416	1.6
203.12866	43.4
204.06718	0.7
204.13133	3.1
245.13931	1.7
258.06100	0.6
300.89191	0.8
305.16141	1.7
308.20313	0.8
365.18134	100.0
366.12027	1.3
366.18527	9.4
372.98297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01379	100.0
60.01705	1.2
64.15933	0.5
69.51139	1.9
71.01379	9.3
71.01731	0.7
73.02927	2.4
74.05471	0.4
83.01393	1.1
85.02950	3.6
86.48826	0.4
89.02436	5.6
97.56865	0.5
99.00910	0.6
99.92604	0.5
101.02444	7.1
101.06000	0.6
107.81326	0.5
113.02459	4.3
119.03475	2.6
122.67509	0.6
137.03548	0.5
143.03500	0.7
161.04587	4.8
185.11806	0.6
203.12915	1.2
288.98892	0.5
305.16037	6.8
306.16296	0.6
347.17154	0.5
365.18149	16.0
366.18515	1.8
368.63684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58220	0.6
57.03446	1.6
59.01378	58.9
59.30368	0.6
60.01700	0.9
61.98825	1.0
69.47495	2.2
71.01382	16.9
72.99293	1.0
73.02936	1.7
75.00849	0.7
77.79150	0.5
83.01380	1.3
83.18642	0.5
84.01361	0.6
85.02959	4.9
87.00850	2.3
89.02442	15.1
93.04564	1.9
95.01361	1.5
96.96014	2.6
97.28931	0.6
99.00877	0.7
101.02442	11.9
109.18289	0.6
113.02446	6.1
113.09716	0.8
119.03502	6.2
120.01268	1.9
127.11266	1.3
137.03580	1.5
141.09090	0.6
142.06636	1.8
154.06218	13.2
155.10751	2.4
157.12343	13.8
160.74915	0.5
161.04533	1.5
171.13889	1.1
185.11850	2.7
186.05630	1.2
187.13359	1.1
199.13416	1.6
203.12866	43.4
204.06718	0.7
204.13133	3.1
245.13931	1.7
258.06100	0.6
300.89191	0.8
305.16141	1.7
308.20313	0.8
365.18134	100.0
366.12027	1.3
366.18527	9.4
372.98297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.8
66.85339	0.9
69.59252	2.8
71.01384	10.3
73.02946	3.2
83.01373	1.2
85.02976	4.1
89.02431	5.5
96.96014	1.1
101.02444	8.0
113.02438	4.8
119.03515	1.9
154.06206	4.6
160.04073	1.1
161.04520	6.0
305.16077	8.4
352.30157	0.8
360.26288	0.9
365.08997	2.7
365.18124	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00645	2.8
68.78749	2.9
70.90147	5.1
73.16932	2.4
89.26432	2.5
91.01878	3.5
98.53147	2.5
130.66736	2.5
171.04637	6.3
171.10245	6.7
183.14014	2.8
197.11804	7.5
199.04002	3.9
211.13394	17.4
229.14407	15.9
243.02989	8.1
263.03479	2.8
278.05447	2.7
281.04660	3.5
321.07373	3.4
327.21735	16.4
329.23358	100.0
329.85870	3.2
330.23602	10.4
365.06870	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91312	0.4
57.03434	1.2
59.01373	1.4
62.93137	0.4
69.03465	0.9
69.57534	1.9
71.01344	0.5
71.05025	0.5
83.05018	1.0
87.75984	0.4
95.05003	1.2
97.06580	1.4
98.21873	0.4
106.04225	0.5
109.06599	1.1
111.08134	0.8
121.06577	0.5
124.74360	0.5
125.09626	0.8
135.08194	0.6
137.09683	0.8
164.61302	0.5
165.12897	1.1
177.12804	0.7
179.14372	0.8
197.15642	0.6
199.13419	2.7
205.15907	0.5
206.11974	0.5
209.11806	0.6
211.13396	1.6
211.17043	0.8
213.14978	2.0
221.15469	0.8
225.14908	2.9
237.14977	1.3
239.16492	2.7
249.18571	0.5
251.16536	0.7
273.22260	0.5
275.23764	4.8
277.25436	0.6
285.22205	3.3
286.22476	0.7
301.21747	4.2
303.23303	5.0
304.23642	1.1
307.19189	0.8
311.20181	1.9
319.22754	7.7
320.23022	0.9
321.24399	1.0
329.17258	0.7
329.21231	4.4
330.21558	0.6
336.02338	0.6
347.22256	7.3
348.22525	0.9
365.06573	1.9
365.23303	100.0
366.07355	0.8
366.23651	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58931	50.8
57.63638	52.5
79.57537	58.1
98.72529	63.0
106.78172	54.4
177.54736	60.7
347.25885	100.0
365.06448	70.3
365.26855	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.07401	0.2
59.01395	0.3
64.53038	0.1
81.87812	0.1
90.74233	0.2
97.60120	0.1
107.51777	0.1
118.91898	0.2
137.06085	0.8
151.07631	0.4
153.12921	0.2
165.09213	1.0
166.71436	0.1
169.12341	0.2
175.64711	0.1
176.12035	0.2
179.10777	1.1
179.14357	0.3
181.12366	0.1
193.12347	0.1
199.13400	0.4
221.15398	0.3
231.17537	0.4
235.17192	0.2
245.19202	0.2
259.20676	0.9
261.14981	0.3
275.16431	0.3
277.18137	0.4
279.16049	0.2
279.19675	0.7
280.20294	0.2
291.19678	0.3
293.17627	0.4
303.26956	2.5
304.27103	0.2
329.24869	1.0
347.25885	100.0
348.21780	0.3
348.26245	12.5
365.26929	31.3
366.27301	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62491	0.2
59.01373	0.2
69.85941	0.3
69.86263	0.6
69.89103	0.3
77.59461	0.2
78.25771	0.2
80.52387	0.3
85.59837	0.2
98.21914	0.4
131.83781	0.3
137.06075	1.0
138.06718	0.3
151.07669	0.5
153.05612	0.3
165.09174	1.2
179.10793	1.0
179.14340	0.3
185.50220	0.3
193.12346	0.3
217.99815	0.3
231.17546	0.4
259.20578	0.6
275.16461	0.3
277.18103	0.3
279.19559	0.3
291.19833	0.5
293.17740	0.4
303.26910	1.9
316.24030	0.3
321.27927	0.6
329.24863	1.4
347.25885	100.0
348.26236	13.1
348.30670	0.4
353.46692	0.3
365.26929	39.7
366.27264	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35987	0.5
69.28111	1.6
69.28510	1.0
83.05038	0.9
153.12932	0.8
155.14371	1.0
163.11287	2.6
165.12820	3.2
173.09647	0.4
181.12411	1.3
199.13393	33.3
200.13802	1.8
236.61783	0.4
239.58615	0.5
241.43225	0.4
277.09772	0.5
344.24338	0.5
347.25900	5.3
363.25378	0.5
365.26938	100.0
366.27295	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85757	0.4
69.36684	1.1
69.37093	1.4
83.32823	0.5
85.06574	2.6
85.27161	0.4
87.56773	0.4
90.98843	0.5
98.22604	0.8
113.99609	0.4
117.03935	0.4
122.86647	0.4
165.12814	0.7
178.91776	0.5
199.13416	3.0
253.29880	0.5
261.18497	1.5
277.47272	0.6
279.19638	18.6
280.19986	1.1
293.25781	0.5
347.25937	6.5
348.26108	0.8
363.25504	0.8
365.26944	100.0
366.22745	0.6
366.27301	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
62.84330	0.4
71.43493	0.5
92.22071	0.5
100.15570	0.4
137.06078	0.9
151.07747	0.5
165.09225	0.8
177.12706	0.4
179.10739	1.2
193.57063	0.5
231.17621	0.7
249.05737	0.4
252.15213	0.5
259.20609	0.7
277.18051	0.6
296.23114	1.0
303.26920	2.1
318.21173	0.7
329.24866	0.8
330.25824	0.5
347.25888	100.0
348.26270	11.7
365.21991	1.3
365.26926	32.5
366.27185	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37494	2.1
69.64568	6.5
71.04179	1.8
71.86826	1.8
79.71408	1.9
98.21840	2.2
111.39080	2.1
199.13315	11.1
244.37564	2.1
279.19638	8.1
347.25925	22.7
348.26273	3.5
365.26935	100.0
366.27457	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72198	0.2
59.01379	0.8
61.98832	0.4
65.16942	0.2
70.38293	0.4
71.01372	0.3
74.95161	0.2
80.12870	0.2
81.95322	0.4
101.02450	0.2
102.54958	0.2
116.05066	3.2
125.95897	0.2
133.82663	0.2
134.03781	0.5
153.01904	0.3
159.03284	0.7
160.04044	100.0
161.04393	5.2
193.05116	0.7
204.03015	4.1
205.03386	0.6
244.00873	0.2
280.40448	0.2
285.06357	0.3
366.08289	20.6
367.08640	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1555
Annotation	Isatidine
Peak:m/z	Relative Intensity
58.02969	1.5
59.01377	1.9
60.55917	0.4
66.17816	0.4
69.41017	0.8
69.41409	0.9
83.05012	1.0
85.02939	0.6
90.03286	0.4
93.03453	0.5
95.01374	3.8
96.96046	0.6
106.04211	0.5
108.02170	3.9
110.03709	0.5
111.00893	1.9
111.04511	0.8
113.06076	0.5
121.06603	1.8
123.04533	2.6
128.10834	3.5
129.11107	0.5
130.08737	100.0
131.04999	0.6
131.09093	3.3
133.34514	0.4
134.03731	0.8
135.72156	0.4
137.02466	0.9
145.06596	0.5
145.09592	0.4
147.08144	2.4
149.06082	12.1
150.03209	0.7
150.06377	1.0
152.10886	0.5
154.06183	0.4
156.06607	3.1
163.07613	0.8
165.09175	2.9
172.09798	15.0
173.01013	0.6
173.06020	2.1
173.10184	0.5
177.04324	1.0
191.07140	14.4
192.07422	0.9
209.08182	1.0
217.05098	0.7
235.06145	1.6
260.16519	1.3
278.17548	0.6
288.12399	1.0
304.15445	1.4
306.13440	7.3
307.13675	0.4
322.16577	9.0
323.16806	1.3
348.14502	2.0
366.15540	47.9
367.15930	5.1
367.20663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.8
67.01894	5.1
67.56044	0.4
69.15147	2.4
72.99313	3.0
83.01382	2.5
85.02949	13.7
88.02838	0.5
88.74510	0.4
97.63191	0.5
99.00855	0.6
101.02439	2.0
111.00883	100.0
112.01217	2.7
117.74102	0.5
119.82702	0.4
124.12812	0.6
129.01935	4.1
134.03688	0.7
154.99866	13.8
165.57474	0.4
173.00916	28.7
174.01181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27628	0.4
59.01359	1.5
60.38037	0.3
67.01886	5.0
69.41061	1.8
72.99309	4.0
83.01383	3.5
85.02946	14.8
86.03269	0.5
98.22652	0.6
101.02451	1.6
108.65600	0.3
111.00877	100.0
112.01202	3.2
117.01881	0.3
125.30558	0.4
129.01950	3.8
134.03725	1.5
136.41266	0.4
154.99864	13.2
156.00243	0.4
173.00903	33.7
174.01266	1.0
191.01994	3.0
191.05602	6.0
266.88287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36183	0.6
50.39640	0.7
55.16357	0.7
58.02955	2.4
59.01363	2.3
60.70649	0.7
61.98825	1.3
70.66077	0.9
85.02967	1.0
90.98605	1.0
91.01861	1.3
94.83160	0.7
111.00849	4.0
171.10275	2.2
173.00896	0.9
196.05206	0.8
205.06557	1.4
209.06049	4.8
210.15028	1.9
219.04538	1.7
221.06044	2.3
222.06924	2.1
223.07579	1.9
232.05211	0.9
233.06088	10.8
234.06689	1.6
235.03958	1.4
235.07640	2.0
236.04788	1.6
237.05620	6.1
238.06001	1.1
247.03947	1.2
248.04871	1.2
249.05574	9.7
250.03642	1.1
250.06281	11.1
251.04729	0.8
251.07039	5.9
252.04022	0.8
252.16147	1.4
253.05133	1.0
253.08762	0.9
260.04816	0.8
261.05545	15.4
262.06287	8.8
263.03482	2.0
263.07019	2.4
263.20078	0.8
264.04147	5.6
265.05005	14.1
266.05463	1.4
270.17133	1.6
275.03622	1.1
276.04184	0.8
277.05014	8.5
278.05798	21.8
279.06598	89.2
280.03799	2.4
280.07172	19.6
281.04578	3.5
281.07446	1.0
289.05154	1.1
290.05826	1.0
291.03033	3.0
291.06323	1.6
292.03894	2.0
293.04559	12.8
293.08191	24.1
294.05127	1.8
294.08572	2.2
295.09772	4.8
307.02646	1.6
307.06134	2.4
308.03271	4.9
308.06854	5.2
309.03955	6.2
319.02426	9.6
320.03171	3.2
323.05591	5.8
323.09244	8.2
324.06079	1.6
324.09445	1.2
334.04822	1.0
335.05588	1.8
336.02811	1.4
337.03506	40.8
338.03763	3.8
351.04977	2.1
352.05841	30.8
353.06177	3.0
367.08191	100.0
367.21210	3.2
368.08554	11.5
368.24454	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0821
Annotation	Aversin
Peak:m/z	Relative Intensity
59.01368	7.8
61.98824	4.7
63.02420	2.0
65.00327	14.4
68.99824	3.0
69.58167	5.3
69.82109	2.0
81.45072	2.1
82.00610	3.2
91.01894	100.0
92.02247	4.6
93.03493	9.4
94.18428	1.8
108.02186	3.4
109.02947	64.9
111.00881	5.5
121.02967	11.5
130.04234	18.4
141.03499	20.3
143.05026	17.3
149.77826	2.2
158.03745	14.3
158.14624	2.2
159.04515	3.4
165.01906	3.7
171.04533	3.7
189.05534	16.6
191.95596	1.9
193.06464	4.9
199.13377	5.4
204.05713	3.1
205.06564	3.6
206.07315	4.9
207.08142	4.7
209.06056	2.2
211.13315	2.4
217.06567	4.7
219.08113	3.1
220.05327	2.5
221.06039	15.7
222.06860	22.0
223.07460	4.8
232.05290	3.5
233.06067	11.6
234.06870	11.7
235.07619	51.2
235.09911	3.1
236.08386	20.5
237.05606	4.0
237.09203	18.4
238.09436	2.5
245.05963	3.5
246.06732	3.8
247.07649	5.4
247.18501	2.2
248.04753	3.7
249.05359	9.1
250.06306	22.4
251.06935	4.2
256.45032	2.1
261.05588	17.2
261.67249	2.0
262.06140	5.4
263.07101	61.2
264.07828	34.8
265.05081	4.1
265.08658	66.8
266.09021	7.7
275.07187	4.1
277.04990	3.9
278.05725	8.0
279.06512	2.4
289.04984	2.0
291.06628	15.7
291.19888	2.5
292.07211	3.9
293.08188	82.4
294.05304	2.4
294.08603	8.5
308.06363	2.5
309.20584	2.4
319.06125	3.9
321.07684	5.8
322.03915	2.5
323.09131	12.5
324.09106	7.1
329.23318	31.7
330.23666	6.9
331.24161	2.6
337.06628	8.6
349.07031	2.9
352.04715	4.6
352.08542	10.4
367.07635	16.0
367.10962	23.0
367.16589	13.4
367.21182	3.5
368.07681	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	3.4
59.01371	2.2
61.98816	1.5
62.48210	0.7
65.51254	0.7
67.81223	0.8
68.58259	0.8
69.14025	2.4
69.14429	2.6
90.24176	0.9
91.01862	0.9
91.16222	0.8
91.16808	0.8
96.95927	0.9
98.06110	1.1
111.00864	3.9
115.00357	0.8
144.00877	0.8
163.68570	0.8
171.10248	3.7
173.01053	1.0
186.82446	0.8
204.05856	1.4
205.06557	1.7
209.05966	4.0
210.14999	2.4
219.04576	1.7
220.05347	1.1
221.06030	1.9
222.06827	1.7
223.07581	1.0
233.06061	10.0
234.06558	1.9
235.04056	1.8
235.07637	1.5
236.04733	2.8
237.05548	7.0
247.04031	1.4
248.04691	1.3
249.05583	8.7
250.06311	9.8
251.07007	6.4
252.04347	1.1
252.07642	1.2
252.16107	1.2
253.05231	1.1
260.04834	1.1
261.05557	16.7
262.06332	9.5
263.03448	2.9
263.06949	2.8
264.04327	5.4
265.05051	13.1
266.05429	0.9
270.17096	2.0
275.03763	1.0
277.04984	8.5
278.02899	1.5
278.05835	21.4
279.06604	91.6
280.03842	2.6
280.07175	21.6
281.04517	4.3
281.07504	1.5
289.98917	0.8
290.02417	0.9
290.05859	1.8
290.88153	0.8
291.02924	3.2
291.06186	1.2
292.03693	1.9
293.04553	12.9
293.08194	25.5
294.05307	1.3
294.08633	2.9
295.06720	1.0
295.09714	4.8
305.08105	1.2
306.04999	1.3
307.02576	1.6
307.06021	3.0
308.03250	3.8
308.06802	4.4
309.04047	6.5
318.53146	0.9
319.02487	9.3
320.03018	3.1
323.05576	5.5
323.09265	8.6
324.06241	1.6
324.09763	1.1
334.04666	1.0
335.05447	1.3
337.03513	36.8
338.03885	3.8
351.05081	2.6
352.05820	30.0
353.06293	2.7
367.08200	100.0
367.21121	3.0
368.08472	10.4
368.24606	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34258	0.6
53.72193	0.7
57.03436	1.3
57.08343	0.8
59.01376	5.7
60.99327	0.8
67.01885	12.2
69.03460	2.2
69.41032	3.6
71.01371	4.9
72.99290	4.0
79.29593	0.7
80.12198	0.7
81.03455	1.5
83.01396	3.5
83.05014	1.2
85.02950	25.0
87.00866	7.1
93.03455	42.7
94.03786	1.0
96.96018	1.0
98.22650	1.5
99.00913	1.3
101.02435	1.9
109.02983	1.0
111.00881	100.0
111.04528	6.2
112.01218	1.8
117.03473	1.9
127.03984	1.8
129.01941	5.7
134.03743	27.1
135.04086	1.1
137.02480	2.2
137.03525	0.8
146.79454	0.8
149.06104	1.7
154.06229	3.2
154.99861	13.6
155.03502	2.6
155.06546	1.2
173.00928	27.1
173.04541	64.3
174.04886	2.8
191.05605	83.3
192.05983	3.2
193.05070	13.2
308.62811	0.7
367.10352	7.4
381.06351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96141	0.3
56.07661	0.3
58.02963	1.0
59.01376	2.7
61.98825	1.1
64.46716	0.3
67.01886	1.7
69.03455	0.4
71.01380	1.1
71.42741	0.4
72.99303	1.2
73.02928	0.4
83.01390	1.2
83.05000	0.4
85.02948	11.3
86.03277	0.5
87.00878	2.1
93.03459	4.8
96.95976	0.5
99.04514	0.4
101.02412	0.8
101.94052	0.3
105.01965	0.3
109.02935	0.4
111.00883	32.4
111.04493	1.4
112.01218	0.6
113.02491	0.3
125.02397	0.3
126.05608	0.9
126.09234	0.4
127.04041	2.1
128.07201	0.3
129.01958	1.8
134.03748	3.8
135.04065	0.3
146.08182	1.6
149.06038	0.3
154.06207	0.5
154.99858	5.1
170.08228	1.0
171.03035	0.6
173.00911	9.8
173.04547	2.5
174.01228	0.3
191.05606	100.0
192.05952	4.1
193.05139	1.7
264.76077	0.3
306.17111	0.3
350.16043	0.4
367.10443	2.1
368.17151	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1653
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
50.57270	1.3
52.02390	1.3
52.32369	1.2
59.01376	3.6
66.80598	1.1
69.50018	5.1
75.00873	8.9
90.29816	1.3
95.94550	1.3
101.33520	1.3
111.08160	6.8
135.51503	1.4
169.12323	2.0
190.86588	1.3
197.11823	30.0
197.13474	2.4
198.12210	2.0
211.13460	4.1
219.10010	4.3
233.11659	2.5
269.07925	1.6
291.19809	4.7
296.22275	1.5
305.93088	1.2
309.20688	22.6
310.21097	2.6
329.23267	2.5
331.18735	2.5
339.05981	1.3
367.16571	100.0
368.16852	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1653
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
52.60922	3.5
59.01392	19.8
61.98829	5.2
68.67247	3.3
71.42344	4.9
75.00870	22.1
90.13261	3.3
94.24157	3.6
116.64394	3.5
121.02993	4.0
137.09705	7.0
171.10283	17.8
192.36246	4.2
229.04808	4.7
264.14752	3.8
291.19614	7.3
309.20572	19.0
309.89041	3.8
313.18030	4.5
367.16599	100.0
368.16937	9.1
368.24127	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
59.01379	100.0
60.01703	1.1
63.28585	0.6
65.46919	0.6
69.41203	2.4
71.01375	6.0
73.02954	2.6
77.27306	0.6
83.01385	0.7
85.02956	4.0
89.02446	2.9
95.05034	0.6
97.26845	0.6
98.22617	1.2
99.00895	1.1
101.02448	6.4
111.00870	5.0
112.01201	0.5
113.02461	3.8
119.03532	1.3
123.08205	0.5
125.02520	0.5
128.10818	1.1
129.01964	0.7
130.08740	19.1
135.11195	0.5
143.03555	0.7
144.04588	1.8
145.04918	1.8
146.06085	0.7
147.06427	0.9
159.03059	0.7
161.04553	7.3
162.05597	1.9
163.06006	1.9
172.09798	1.2
173.00945	1.6
204.06650	9.5
205.06993	17.0
206.07274	0.7
279.28104	0.6
307.17599	12.3
308.18100	1.5
324.18182	2.3
350.16183	1.5
367.14090	0.9
367.21320	0.9
368.17178	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91272	0.6
59.01351	2.8
61.98814	1.1
69.64352	1.2
69.64698	1.8
70.64162	0.6
73.02935	1.1
94.04248	1.6
97.06558	1.5
101.06083	4.7
117.36410	0.6
121.03041	0.7
127.07703	0.7
128.57939	0.6
135.04506	1.4
137.09673	0.8
155.10768	3.4
156.04294	0.9
159.02892	0.8
172.92474	0.7
178.09998	9.2
199.13390	0.7
202.98749	1.2
214.08195	0.7
219.17531	1.0
221.19144	1.7
236.87335	0.8
237.18665	1.0
247.17087	5.6
263.16519	19.9
264.16870	2.6
265.18079	97.4
266.18445	8.8
269.09210	1.6
278.34482	0.7
281.17569	14.8
282.17856	1.3
292.16888	2.5
293.21249	5.2
323.25873	1.4
331.22791	4.4
349.23816	100.0
350.24167	14.5
367.16025	0.8
367.24908	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
72.90659	0.5
82.27745	0.4
91.15306	0.5
108.82928	0.5
133.06581	7.9
134.06941	0.6
149.09712	78.3
150.10036	4.7
194.09381	0.6
203.94684	0.5
205.15968	47.6
206.16312	3.3
295.16965	3.2
296.17786	0.8
328.16840	3.1
367.26389	100.0
368.26700	13.4
368.31296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90665	0.7
65.57079	0.7
70.66375	1.0
71.36275	0.8
84.08467	0.9
85.68938	0.8
88.49395	0.9
94.30015	1.1
111.00817	1.0
133.06561	1.4
139.94199	0.8
140.13571	0.9
149.09720	86.1
150.10080	3.6
172.86263	0.9
191.14352	0.7
205.15968	82.2
206.16278	5.6
358.27692	1.0
367.26395	100.0
368.26639	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69159	36.7
67.30424	26.3
68.30059	27.4
69.62809	89.4
69.63194	61.4
73.99249	26.3
107.34669	31.6
110.03854	32.6
111.00874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	43.6
60.01708	4.9
69.03444	5.9
69.22273	16.2
71.01373	5.6
73.02970	6.3
85.02943	4.6
88.38773	2.5
94.32062	2.8
95.05019	4.0
101.02438	6.1
128.10831	5.2
130.08745	100.0
132.09520	2.5
161.04474	3.3
172.09764	6.3
308.17990	5.8
324.18146	12.1
350.15979	3.5
368.13141	2.7
368.17206	30.9
369.11826	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58033	0.4
57.03445	2.3
57.30818	0.4
59.01383	2.0
61.98824	0.7
62.05860	0.3
71.01347	0.4
71.02490	0.9
73.02929	1.2
78.08686	0.4
83.01326	0.4
85.02950	13.8
96.96008	2.7
97.00410	0.7
101.02448	6.1
101.06091	2.1
103.04010	9.2
111.00877	0.6
113.20037	0.4
123.19643	0.4
130.08720	1.3
147.06636	100.0
148.06972	3.4
157.03664	1.1
162.37326	0.4
174.36687	0.5
177.30632	0.4
183.14008	0.4
211.13405	9.4
266.13925	0.5
277.35202	0.4
283.16583	4.0
287.09769	0.5
326.17227	0.7
331.58829	0.5
368.17526	0.6
368.21640	0.8
369.06027	0.5
369.19183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95476	1.8
55.86179	1.7
57.03445	2.8
58.02964	2.5
59.01377	41.7
59.13119	1.7
61.56696	2.0
61.98824	7.8
69.03464	5.8
69.88027	6.1
71.01385	11.7
71.94115	2.0
72.34209	2.2
72.85250	1.8
73.02938	4.1
83.05021	3.7
85.02946	7.6
87.00888	5.1
88.04071	3.1
89.02457	6.4
95.04990	2.9
96.96037	4.8
97.02940	3.5
101.02476	2.4
111.00871	7.8
112.01259	2.8
112.31001	2.0
113.02433	6.3
117.96444	2.0
123.08210	2.0
128.10814	7.2
130.08736	100.0
131.09055	3.5
147.06641	2.7
149.09702	3.0
151.07698	2.7
156.51308	2.3
172.09750	6.3
175.07631	2.4
207.10291	4.6
251.81973	2.1
269.79788	2.0
306.17322	2.4
324.18137	10.5
350.16110	2.7
368.12854	3.2
368.17252	57.5
368.21530	8.7
369.15408	22.1
369.22916	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
61.98829	100.0
64.10068	1.3
96.96034	2.6
108.00515	1.8
127.83886	1.7
190.65648	1.5
252.16882	2.4
273.14664	2.9
274.15225	2.7
286.23834	2.0
309.20810	3.0
310.20984	2.5
315.41031	1.8
330.23767	3.9
368.16934	5.1
368.24518	3.1
369.16171	3.4
380.19962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1712
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
58.02983	2.2
59.01376	0.6
64.85711	0.4
69.03450	1.8
69.71127	0.8
69.71516	0.6
74.89523	0.4
78.92870	0.5
82.06625	0.4
85.02930	0.8
93.03482	0.6
94.54592	0.3
95.05013	2.3
97.02940	1.3
98.21921	0.9
110.03758	0.5
110.09780	0.6
121.06556	0.5
123.08165	1.3
125.06100	0.4
125.09932	0.4
128.10809	7.6
130.08734	100.0
131.09131	2.7
133.06602	0.7
139.04004	1.0
146.75945	0.5
149.09723	1.5
151.04056	0.6
151.07642	1.6
154.08752	1.6
154.12376	1.0
167.44333	0.4
172.09792	7.7
175.07632	0.9
192.76741	0.4
193.08781	0.8
197.08110	0.5
198.11276	0.5
235.84271	0.4
262.18011	0.5
270.13443	1.6
281.09253	0.4
288.16016	0.8
305.27365	0.4
306.17108	1.3
324.18149	13.1
325.18475	1.7
350.16003	4.4
368.17099	39.3
369.12604	0.7
369.17407	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47908	0.4
58.02975	1.9
59.01379	2.0
61.98818	0.8
69.03455	5.9
69.31946	1.8
69.60686	0.4
71.01372	1.4
72.99298	0.4
75.38722	0.3
76.52284	0.3
85.02956	0.5
88.04041	0.7
93.03501	0.4
95.05025	1.4
97.02949	2.4
99.00850	1.0
110.03711	0.4
110.09772	0.6
111.00886	0.6
115.00365	0.3
121.02953	0.4
123.08149	1.8
125.06089	0.6
128.10822	7.2
129.11183	0.3
130.08739	100.0
131.09099	2.9
133.06612	1.0
139.04019	1.3
141.01933	0.5
149.09715	1.1
151.04008	0.8
151.07600	1.6
154.08763	1.0
154.12398	0.7
156.06586	0.6
172.05019	0.4
172.09793	7.9
172.11205	0.6
173.10045	0.4
175.07645	1.2
179.02472	0.4
185.00952	2.7
193.08659	1.1
195.06610	0.7
198.11325	0.8
208.13387	0.4
234.14983	0.4
238.74080	0.3
262.18069	0.6
270.13467	1.3
291.43250	0.4
296.00537	0.3
299.98633	0.4
300.03104	0.3
306.17093	1.5
324.18158	12.2
325.18445	1.5
332.15048	0.4
350.16101	4.5
351.16254	0.7
354.11273	0.5
368.17130	37.5
369.12756	0.7
369.17163	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.1
58.02906	2.0
58.03160	0.6
59.01308	7.6
61.98777	1.1
69.15947	2.6
69.16357	1.2
71.01321	0.8
73.02892	1.3
78.95886	0.6
79.95691	1.2
81.02149	0.8
83.04984	0.5
85.02897	1.3
89.23779	0.5
96.96014	5.4
97.06529	1.2
111.00838	0.9
130.08672	1.5
151.11259	0.7
169.12309	1.8
171.10228	1.0
183.13847	0.7
184.66919	0.6
185.11769	0.8
191.14442	0.7
197.11749	1.7
199.13408	0.8
200.13673	1.6
207.10132	0.6
209.11848	3.2
210.14987	5.2
213.14899	2.6
222.14972	0.9
234.15038	1.0
240.16048	8.0
241.16360	0.8
245.19151	0.8
252.16042	15.0
253.16356	1.7
270.17102	100.0
271.14682	1.1
271.17426	8.1
273.18665	0.8
289.18115	3.8
290.21268	1.4
291.19513	0.7
295.19043	0.8
307.19254	2.7
308.22351	5.9
309.20599	1.4
314.21341	1.2
320.22348	0.7
326.23492	1.6
332.22424	2.3
350.23376	6.7
351.23697	1.1
368.08676	1.1
368.17426	1.1
368.24527	19.8
369.12347	6.4
369.24612	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85614	0.7
52.33612	0.8
55.01887	2.0
57.03452	12.4
59.01108	1.2
59.01379	12.9
70.59023	1.5
71.01382	5.5
72.99343	1.8
73.02955	2.3
75.00883	3.1
80.46156	0.7
83.01396	2.9
84.02164	1.6
85.02955	100.0
85.44611	0.8
86.03275	2.4
86.15667	0.7
87.00877	2.2
89.02451	1.6
93.03456	2.4
95.05032	2.8
96.36859	0.8
96.95996	0.8
99.00882	2.0
100.38995	0.7
101.02441	3.0
103.00385	1.7
105.03474	5.3
108.02139	0.9
109.03001	1.2
111.00927	1.9
113.02417	1.1
115.00371	2.3
116.07172	1.6
123.04530	5.8
129.01959	10.0
131.03516	2.7
133.01448	1.4
133.02960	24.8
134.03784	1.0
135.04503	0.9
137.02444	1.1
147.03008	17.6
147.04218	1.0
147.06619	2.9
149.02434	2.1
159.01466	0.9
164.07150	0.8
173.00897	2.2
173.04559	2.9
173.09215	0.9
175.02448	1.0
175.64565	0.8
177.01921	7.5
189.05569	1.2
191.01985	29.4
191.05635	11.4
192.02377	1.4
195.02980	2.2
201.79086	0.7
205.03500	1.0
210.48259	0.8
223.04625	1.0
263.05893	0.8
320.21964	0.8
326.12408	1.2
351.03452	0.9
369.04446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70485	1.5
59.01382	12.0
59.42669	1.4
61.98801	1.7
63.38244	1.3
67.19654	1.3
71.01385	2.4
71.05045	1.4
73.02965	1.9
85.02961	5.3
96.96005	3.2
98.22781	2.5
99.00912	2.1
108.02193	3.7
109.02960	20.6
109.08481	1.3
111.00925	2.5
130.08694	1.5
133.02956	1.9
137.02452	4.1
207.08150	4.5
209.05998	1.6
225.05511	1.5
233.04413	2.0
235.07675	6.3
237.09216	100.0
238.09579	9.4
251.07230	3.5
265.10782	2.7
279.06537	2.2
281.08194	57.4
282.08505	7.9
307.06235	2.0
325.06696	1.5
351.05008	4.9
368.24744	1.5
369.06128	19.2
369.22827	2.6
370.06281	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03446	4.7
59.01379	100.0
61.98831	9.2
70.79930	2.7
71.01379	37.2
73.02950	2.8
83.01383	1.9
85.02948	47.0
87.00878	3.1
89.02442	5.8
94.70490	1.7
101.01822	2.4
101.02411	9.6
105.03450	2.3
108.02155	4.2
111.00900	1.8
113.02447	4.6
120.72363	1.5
129.01945	5.7
133.02956	13.9
133.05066	48.9
134.05432	2.7
145.09813	5.2
147.02997	8.8
152.01187	2.6
161.04538	4.7
173.04471	2.4
174.99350	1.6
177.01886	3.5
180.34116	1.9
181.81496	1.8
187.06079	8.1
191.01999	15.0
195.03004	1.9
249.09738	11.4
277.09305	22.3
279.02765	1.5
285.06137	7.1
309.11728	2.6
369.21286	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30949	0.9
57.03438	4.0
59.01381	21.7
59.88125	1.0
61.98817	2.8
69.70015	3.1
71.01390	9.3
72.45898	0.8
73.02934	1.5
75.77596	1.0
85.02956	26.7
87.04516	3.8
89.02451	13.2
93.03444	1.4
101.02447	11.8
101.06089	5.9
103.04026	8.2
105.03446	1.4
113.02467	3.6
119.03532	5.5
128.53781	1.0
129.01921	2.1
131.03522	1.9
133.02972	5.1
145.02974	1.2
147.02982	3.3
147.06638	100.0
148.06990	3.0
154.68991	1.1
161.04570	2.9
177.79303	1.0
179.05635	9.9
191.01978	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56549	0.3
58.41547	0.3
59.01377	0.8
69.03479	0.3
71.01363	0.5
73.02927	0.5
78.95900	12.4
79.95741	0.5
80.96529	0.5
85.02967	1.0
87.04537	0.3
93.49824	0.2
94.99049	0.4
96.95377	0.4
96.96004	7.6
98.56319	0.3
101.02488	0.4
104.97505	0.6
110.98531	9.4
112.93237	0.2
126.62293	0.3
129.01962	0.3
130.08754	0.3
134.68402	0.3
137.00056	0.4
153.12814	0.3
155.14410	3.8
156.14729	0.4
167.01138	9.6
180.10068	0.3
183.13858	1.6
185.02174	2.2
199.13437	0.7
201.14960	100.0
202.15279	5.6
211.17529	0.3
216.81638	0.3
238.98648	0.4
241.00217	0.4
256.99802	0.6
326.12650	0.3
369.12387	1.9
369.16733	24.6
370.12848	0.5
370.17142	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01373	1.8
69.03452	0.3
69.30447	1.5
71.01374	0.7
71.31053	0.3
72.03773	0.4
73.02940	0.4
77.03139	0.3
78.95905	10.4
79.95757	0.7
80.96520	1.0
85.02948	1.3
86.61361	0.3
87.00883	0.9
91.55910	0.3
92.20856	0.3
92.64183	0.3
94.99026	0.4
96.95376	0.7
96.96012	13.8
99.00874	0.3
104.97513	0.5
105.11150	0.3
110.98530	9.4
111.00877	1.3
116.92886	0.4
129.01913	0.5
138.97043	0.4
155.14430	4.5
157.94684	0.3
158.32953	0.3
159.04552	0.4
159.50427	0.3
167.01146	9.8
179.11879	0.4
183.13925	1.7
185.00848	0.3
185.02180	2.2
193.64287	0.3
199.13394	0.7
201.14963	100.0
202.15294	6.6
206.68657	0.3
238.98581	0.8
241.00124	0.6
256.99692	1.4
289.20535	0.4
369.12167	7.6
369.16736	28.4
369.22308	0.9
370.12918	0.6
370.17084	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49514	3.7
58.30851	3.3
59.01377	6.2
61.98829	4.2
69.81678	7.9
75.00871	8.1
97.20759	3.2
120.46428	3.6
123.18206	3.2
133.87273	3.8
137.80995	3.0
139.11293	6.7
143.93130	3.6
171.10229	13.5
174.36069	3.5
181.12286	4.7
211.13344	6.2
269.07993	3.9
293.21259	11.1
311.22223	41.7
312.22571	10.4
369.18130	100.0
370.11832	5.0
370.18283	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57230	2.4
59.01379	3.8
61.98817	2.2
75.00885	11.4
124.47712	2.3
129.09261	3.9
133.79465	2.1
138.75677	2.0
147.33955	1.8
171.10269	4.8
197.11870	6.2
211.13437	9.0
233.11690	4.4
251.79433	2.8
262.11810	18.7
269.08105	4.0
293.21396	7.6
311.22238	30.4
312.22583	4.8
331.18942	12.6
333.19391	2.9
340.20306	2.4
369.18167	100.0
369.22253	4.0
370.18613	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1811
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
61.98801	2.8
69.03445	1.6
70.00875	4.4
75.00885	10.3
77.82006	1.8
79.64988	1.8
80.30994	1.8
86.22550	1.7
97.02959	5.1
107.40792	1.8
113.09689	2.2
115.74600	1.7
137.25163	1.7
145.12898	1.7
171.10287	5.6
188.73822	1.7
193.12344	1.8
197.11888	2.5
211.13419	7.1
215.61555	1.9
225.49474	1.8
233.11684	1.9
261.11108	2.8
262.11816	16.9
269.07950	3.6
293.21182	8.2
309.20618	2.5
311.22266	32.7
311.25568	2.5
312.22662	3.4
331.18881	11.8
369.18143	100.0
370.18509	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2281
Annotation	Platenolide II
Peak:m/z	Relative Intensity
59.01381	100.0
61.98844	7.8
70.31898	8.0
84.19904	3.9
107.05014	11.1
108.92047	3.4
119.05024	10.6
125.09724	6.5
132.18565	4.1
153.09192	8.6
183.13889	5.9
193.05061	13.1
197.11890	25.8
197.13446	4.3
205.05069	4.2
211.13364	48.1
226.11993	4.6
241.14407	16.6
279.12402	5.4
291.19733	5.2
294.39249	4.1
305.17523	5.3
309.20743	23.4
310.21201	3.8
319.19257	21.7
322.17889	16.5
325.10751	5.7
327.21637	4.4
337.20197	32.1
351.21744	5.1
369.13425	7.6
369.22803	87.9
370.23065	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2434
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
59.01382	0.8
61.38660	0.6
66.14041	0.5
70.20775	1.5
72.93133	0.5
87.15247	0.6
87.97166	0.6
93.86011	0.5
99.92599	1.4
104.02668	1.2
118.89963	1.9
125.21416	0.6
133.10207	2.4
133.68796	0.6
136.25980	0.5
140.56564	0.5
147.08211	1.5
161.09714	1.4
163.11285	100.0
164.11595	5.4
173.06024	1.7
177.01910	8.6
178.02565	1.0
179.10764	21.4
180.11107	1.1
187.07701	0.6
187.11288	1.4
189.01949	5.0
193.12329	23.5
193.14098	1.3
194.12718	0.9
217.05118	0.8
231.06673	1.7
306.23669	0.7
309.22235	1.0
311.16830	0.7
337.21716	13.5
338.21997	1.7
350.02798	0.6
369.20532	26.4
369.24356	73.0
370.10098	1.5
370.20801	3.9
370.24704	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	1.9
59.01379	100.0
59.50760	1.8
61.98822	7.4
69.60368	3.5
71.01011	2.9
71.01382	35.4
72.99285	1.8
73.02927	2.4
77.77455	1.7
85.02944	15.8
86.03271	1.8
89.02450	50.8
96.95970	2.0
98.22559	3.8
101.02435	15.5
111.74400	1.9
113.02438	13.9
119.03494	18.6
131.03564	2.1
131.05046	1.7
134.03758	3.5
143.03502	3.9
147.03078	1.7
149.04582	2.3
149.05994	2.0
161.04526	2.5
164.07169	35.5
176.90530	2.3
179.05563	8.8
192.02248	2.1
193.05092	2.9
207.39377	1.8
209.02985	7.1
326.12427	30.1
327.12607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.5
61.98829	100.0
67.01912	0.7
69.30222	2.3
71.01386	6.1
73.02949	1.4
82.48575	0.6
85.02969	2.9
87.00874	0.8
89.02450	1.8
93.03450	0.6
98.22649	1.3
99.00903	1.3
101.02464	2.8
111.00896	3.8
112.01224	2.4
113.01369	1.1
113.02401	1.4
114.68486	0.6
119.03542	1.0
121.02962	0.7
126.05583	0.9
128.03532	1.3
130.08737	3.7
137.02502	0.6
145.06303	0.9
145.08740	1.8
146.04614	1.2
146.08244	3.2
163.06155	1.0
167.07112	0.8
173.01027	0.7
175.01239	0.9
209.03075	0.8
255.02956	0.9
265.11404	0.6
271.02472	4.0
300.02725	5.2
301.03189	1.6
307.13989	12.6
308.14432	1.2
370.09134	4.7
370.14658	1.2
370.19019	5.0
370.59213	2.5
371.18192	1.0
371.23221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98801	2.3
58.67120	2.8
59.01331	2.8
61.98827	100.0
66.74236	2.4
69.67252	7.2
98.12180	2.2
98.21981	3.3
101.56647	2.3
112.59665	2.4
112.75078	2.2
184.54602	2.4
285.21463	2.7
301.70749	2.5
370.16348	5.1
371.18005	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28606	2.6
53.43453	2.7
59.01374	3.1
61.98830	100.0
69.09156	14.3
117.19996	2.6
121.02913	2.9
187.11128	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.51427	1.9
88.51894	1.0
96.93522	1.1
116.07028	1.1
121.02946	4.7
189.67888	1.0
213.68825	1.3
298.80563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93317	1.3
59.01372	2.3
61.98830	100.0
62.48865	1.2
77.25310	1.4
104.16454	1.2
119.45879	1.4
121.33771	1.4
133.35391	1.5
172.66699	1.7
262.22351	1.4
299.19791	1.4
326.20471	3.8
370.19247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	8.0
61.98828	100.0
71.17400	9.3
78.32912	7.0
121.02994	6.8
174.69089	8.6
187.01175	8.0
203.90819	7.5
315.06769	7.8
371.24554	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.02962	0.7
59.01381	19.5
61.98823	1.7
69.03461	0.8
69.27888	2.4
71.01383	2.6
71.05032	0.7
73.02950	3.2
79.05548	1.1
83.05005	0.7
85.02941	1.8
89.02440	0.7
95.05029	1.0
101.02426	1.1
120.99677	1.2
125.06161	0.8
128.10814	5.1
130.08748	100.0
131.09125	3.4
133.10236	2.0
147.04488	1.0
159.08247	0.7
172.09760	0.9
181.22321	0.6
181.46509	0.7
193.08731	1.0
201.11214	0.7
207.25464	0.6
246.18637	2.0
249.13353	1.2
255.07111	0.7
308.18716	5.8
326.16232	1.2
326.19711	18.3
327.20111	1.5
335.16910	1.0
352.17654	5.0
370.18753	45.7
371.18933	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.2
59.01376	12.3
61.98824	17.6
62.79765	1.0
68.99835	0.8
70.03076	2.1
71.01376	11.1
72.99310	1.9
73.02958	0.9
75.00880	2.2
83.01385	1.5
83.57982	0.7
84.02165	1.7
85.02946	76.0
86.03290	1.4
87.00870	3.5
89.02440	6.2
98.21951	1.1
101.02433	2.3
103.00362	1.8
108.02162	2.1
111.00862	1.0
115.00395	1.2
116.92876	0.9
120.68466	0.7
123.04530	1.1
129.01939	5.4
133.01440	4.8
135.04514	3.1
147.02988	3.5
150.03241	1.1
152.01169	3.6
155.07138	1.7
167.03485	4.0
167.07111	1.2
170.39885	0.9
173.00945	1.3
179.03433	1.0
191.01968	28.7
192.02235	1.4
209.03009	100.0
210.03372	5.4
220.23886	0.8
256.88284	1.0
258.56577	0.8
277.07266	0.7
303.28864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0769
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01363	0.2
61.98822	1.6
70.97618	0.3
93.03446	0.2
105.03461	0.2
120.02151	0.4
121.02951	100.0
122.03289	3.3
149.02454	0.6
153.48273	0.2
179.03494	9.8
180.03775	0.4
180.05739	0.2
181.06606	0.4
191.05579	0.2
197.06071	0.4
225.05554	0.5
239.06944	0.3
241.46692	0.2
251.46036	0.2
255.06580	0.2
287.74139	0.2
371.07681	15.7
372.08017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49743	1.1
57.47084	1.1
58.02972	1.5
59.01381	12.1
60.39552	1.0
61.98824	6.0
62.10818	0.9
66.52757	1.1
68.87791	1.2
69.10326	7.4
71.01388	5.9
73.02939	2.3
74.02480	1.1
82.95481	1.1
85.02948	3.8
88.04044	4.5
89.02428	1.2
95.01418	1.0
101.02467	2.1
104.58424	1.0
108.02178	50.4
109.02462	1.6
113.02438	2.2
118.26180	1.1
121.02940	2.2
123.04536	23.0
128.03513	3.4
129.03925	1.2
130.08737	9.9
133.02982	1.8
134.03738	1.7
145.51807	1.0
146.08194	2.3
150.03178	1.0
152.01155	45.1
159.02946	1.1
164.08415	3.0
165.09142	1.6
167.03497	100.0
168.03783	3.5
177.01872	1.4
193.04999	2.4
194.05600	1.0
195.05061	2.9
209.02914	2.5
209.04665	1.4
209.08272	1.4
240.17213	2.0
242.38940	1.2
327.27634	1.6
371.09402	1.9
371.13364	2.2
371.23172	1.9
371.26840	6.9
372.20709	1.3
384.77261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.40828	0.7
55.01874	1.2
57.03436	3.2
59.01381	28.5
66.09545	0.8
67.01884	2.1
68.99803	2.7
69.03448	2.6
69.44819	2.1
69.45203	1.6
71.01015	1.4
71.01386	22.3
72.99309	5.3
73.02959	4.3
74.46129	0.7
75.00873	24.0
76.01242	0.8
81.03442	1.2
83.01391	2.2
83.05029	2.5
85.02950	22.3
87.00883	7.4
88.24390	0.8
89.02442	6.6
89.30853	0.9
91.04043	1.2
93.03443	2.1
95.01392	6.9
99.00879	11.1
99.04531	0.9
101.02457	1.5
103.00380	1.9
111.00878	2.3
113.02455	25.5
114.02782	1.4
115.00350	1.7
117.01926	2.5
119.03503	1.0
121.02961	100.0
122.03320	4.3
129.01917	4.1
130.08740	1.5
134.03746	2.7
135.00905	1.3
143.03452	0.9
149.02464	0.9
149.06064	3.3
167.03482	5.1
175.02484	3.7
177.04044	3.7
192.35527	0.9
193.05003	2.1
195.05087	3.4
211.97087	1.0
231.05035	7.0
249.06151	72.1
250.06497	3.8
353.08841	3.0
370.23526	3.1
371.09818	74.8
371.23593	4.6
372.10251	6.2
372.20551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98824	0.8
69.18205	3.5
71.01360	1.8
74.36018	0.6
85.02945	9.6
87.00868	2.3
89.02451	0.9
93.03480	3.1
109.02943	0.6
111.04496	0.8
127.04039	1.2
127.16592	0.6
139.09036	0.7
173.04457	1.1
191.05602	100.0
192.05907	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35199	0.3
53.32603	0.3
56.55190	0.3
56.64713	0.3
59.01377	100.0
60.01709	1.5
61.98831	0.5
63.22348	0.3
69.25616	1.9
71.01407	0.9
77.10281	0.3
85.02951	0.7
89.02465	0.4
101.02469	0.5
102.05650	0.6
128.03560	0.7
130.08714	2.1
146.04666	0.4
180.10370	0.5
199.18269	0.5
212.34801	0.4
275.07526	0.3
285.53638	0.4
351.26016	0.4
354.20352	0.6
372.21268	1.7
376.81857	0.3
391.28128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81221	1.1
59.01381	100.0
61.98818	2.1
62.08533	1.3
69.67538	1.5
69.67886	3.9
71.01379	4.2
72.99297	1.7
73.02956	1.3
82.03867	1.1
85.02956	11.3
89.02439	3.2
98.21997	1.6
101.02451	1.7
103.05553	1.5
109.81339	1.1
119.04929	1.2
121.02918	1.5
127.05109	1.6
130.04254	7.7
131.05042	42.8
132.05377	3.4
134.03648	1.5
135.04533	1.5
149.06090	93.9
150.06404	3.5
152.01152	1.7
155.07161	1.3
163.04022	1.7
181.05061	2.3
191.01950	4.8
193.05074	2.6
209.02985	16.9
211.06059	1.5
222.40808	1.3
223.09709	2.0
258.41248	1.1
277.94125	1.1
288.25409	1.5
324.47824	1.4
371.13406	1.5
371.23099	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
50.40218	1.6
55.01874	1.8
55.09305	1.7
57.03445	5.3
58.02969	3.4
59.01381	91.9
60.01691	2.0
61.98827	3.8
71.01381	38.6
71.41614	1.8
71.42054	1.9
72.99308	3.7
73.02946	6.2
81.84393	1.6
83.01388	2.2
85.02950	25.6
87.00890	4.1
89.02444	36.1
91.05525	3.3
95.01392	3.3
96.96069	2.1
98.49324	1.8
101.02443	23.9
111.00900	2.5
113.02450	14.0
116.07170	2.8
117.03503	2.5
119.03500	18.9
121.02959	12.4
126.05637	1.8
129.01945	14.3
130.08713	9.0
134.03745	15.4
137.02492	2.2
146.08252	10.6
148.07726	2.7
149.06055	3.1
150.03233	3.1
151.00372	6.3
153.05608	5.4
165.05595	2.3
166.02719	20.0
170.08226	2.0
179.05621	2.0
181.05066	20.4
191.07213	1.9
193.03325	2.9
193.05054	40.6
193.06729	3.2
193.22572	1.7
194.05409	3.7
195.05113	2.5
197.04562	7.8
208.07439	29.9
209.02953	2.7
209.04668	7.1
209.08025	5.2
223.09766	45.1
224.10033	3.0
230.59184	1.7
248.62483	2.0
282.05121	2.0
324.40323	2.0
333.26065	1.8
371.10004	5.4
371.13522	100.0
371.26746	8.0
372.13620	11.7
372.20392	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01701	0.6
56.37770	0.5
57.73142	0.5
59.01379	100.0
60.01701	1.1
60.04590	0.5
60.60708	0.5
61.98831	1.3
70.14533	1.4
71.01394	1.4
73.02941	1.1
75.77540	0.5
85.02973	1.1
86.40145	0.5
89.02443	0.7
97.02952	0.6
98.21977	0.6
101.02474	0.8
117.16145	0.6
125.02448	0.9
130.08784	1.3
131.09160	0.6
135.00935	0.8
145.06224	1.3
151.00548	0.6
166.02730	3.5
167.03554	1.3
187.16431	0.6
207.10321	1.9
276.84689	0.8
281.17130	0.6
327.09045	0.7
371.17142	8.4
372.16638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43409	16.3
52.48540	16.2
59.01377	94.7
61.98830	28.4
67.08113	18.2
73.63167	18.1
93.50835	18.9
95.05017	18.1
108.82800	19.8
109.02966	23.3
118.97205	19.4
122.80564	20.6
134.14915	19.6
168.61401	18.0
171.10271	52.8
179.03439	23.2
371.11105	40.4
371.19757	57.4
371.24719	100.0
384.68005	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2591
Annotation	Nabilone
Peak:m/z	Relative Intensity
53.13270	0.4
56.17134	0.5
59.01368	1.4
64.91562	0.4
71.12871	0.5
73.04781	0.4
87.10183	0.4
92.60948	0.4
95.05057	0.5
107.08668	0.6
143.05009	0.4
153.09200	0.5
157.06558	0.7
159.11720	0.6
160.16756	0.4
162.08501	0.4
163.07617	0.6
200.12100	0.5
202.13673	1.5
205.15961	1.4
207.17603	1.4
209.18895	0.5
227.14209	0.5
233.19182	0.7
251.16545	0.5
273.22299	1.2
283.20667	0.6
297.22336	0.7
299.23853	0.6
302.18738	0.6
327.26904	7.5
328.27237	0.8
346.52176	0.4
353.24777	4.3
371.25900	100.0
372.26297	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1
Annotation	Violaceinic acid
Peak:m/z	Relative Intensity
59.01377	53.0
60.01691	1.1
61.98831	6.7
69.99155	3.1
72.00905	3.5
74.99379	1.7
82.06619	1.0
85.02978	1.7
88.04011	1.4
88.98801	1.1
101.00946	1.2
101.02461	3.9
111.93311	1.0
115.02526	6.1
117.00448	28.1
118.00530	2.4
126.00452	1.2
126.98884	1.0
128.07170	13.4
130.08734	64.0
131.09109	2.4
141.00453	1.4
144.99948	3.4
154.07404	1.1
159.01492	43.0
160.01709	2.8
168.05060	1.3
168.99962	1.9
172.01024	6.5
174.02594	2.6
174.99455	2.1
187.01036	1.4
188.07803	2.2
198.99449	1.4
201.02638	6.1
210.06116	6.1
212.07738	6.4
217.00529	11.3
228.07291	27.2
229.07423	2.4
230.08827	100.0
231.09047	10.7
241.00577	1.9
245.00032	10.2
245.99998	2.3
259.01541	19.6
260.01648	5.8
272.09885	16.3
273.10126	1.6
274.09802	4.7
284.05350	1.6
285.98352	1.2
287.01135	10.3
288.01233	2.0
289.44641	1.2
330.06036	3.1
330.98108	1.4
338.17279	1.3
354.08936	92.3
355.09073	17.8
363.16043	1.3
372.10025	82.2
373.06140	1.2
373.10239	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.91614	1.0
77.30466	0.4
85.02956	0.5
88.97291	0.3
92.26831	0.4
101.02409	0.4
147.06644	3.2
189.87990	0.4
190.03705	0.4
231.76398	0.4
274.51993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89412	1.8
58.21782	1.5
59.29969	1.4
62.80997	1.6
99.92588	83.6
100.92592	4.8
100.93315	3.5
115.92077	13.7
116.92854	12.5
118.89978	80.6
119.89991	3.6
119.90793	7.1
134.89476	6.2
135.89293	2.6
135.90251	31.8
136.90271	1.7
141.93683	2.6
181.01985	1.6
198.05240	2.1
219.31517	1.5
252.62222	1.7
260.44086	1.4
297.96011	1.7
336.14014	23.1
337.14249	3.8
372.11652	100.0
373.11774	16.3
396.88083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10947	0.9
66.39626	0.9
69.27711	0.8
69.38336	0.9
92.09972	0.9
97.93153	1.1
99.92584	62.0
100.92599	3.0
100.93365	3.9
115.92069	9.9
116.92867	4.1
118.89975	100.0
119.89970	5.0
119.90746	2.0
134.89467	4.2
135.90251	38.7
136.90234	2.1
150.88969	1.7
161.91934	1.3
174.64465	1.0
215.90190	1.0
336.14023	11.9
337.14261	1.4
372.11600	37.5
373.11731	5.2
374.88794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.4
61.98829	100.0
63.91691	1.5
69.13643	7.3
82.12610	1.4
115.92059	2.9
136.34138	1.4
153.46964	1.7
163.03897	1.9
165.74069	1.6
180.61548	1.5
185.06061	3.1
213.04311	1.8
216.12067	1.8
228.06544	2.3
328.91388	1.5
341.49826	1.6
354.03870	3.7
354.16949	6.5
372.18164	26.2
373.18484	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81227	2.4
58.42295	2.4
61.98828	100.0
68.80338	2.3
69.84746	6.8
98.22541	3.0
114.72439	1.9
142.04930	2.3
228.89713	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76683	1.5
59.01363	2.3
61.98827	100.0
66.06652	1.6
69.31997	7.2
95.76034	1.7
98.22593	4.1
117.34634	1.9
120.48463	1.8
168.48802	1.7
217.31737	2.0
231.10030	7.2
249.10974	4.6
260.69086	2.1
281.25644	1.8
286.34314	1.9
292.09351	6.6
293.10138	2.0
329.17288	7.1
372.17426	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62950	1.2
61.98828	100.0
67.15795	1.1
70.50266	2.2
71.00882	1.0
82.11269	1.0
144.22870	1.0
150.55920	1.0
229.40308	1.2
281.06995	1.2
284.07458	1.3
288.30121	1.1
348.46838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10864	0.8
58.95433	0.7
61.98828	100.0
63.84909	0.9
89.99656	0.8
98.21852	1.8
101.32442	0.9
138.26224	0.8
154.85396	0.8
169.84842	0.9
198.03642	0.9
225.91280	0.8
298.83228	0.9
329.17215	2.4
372.17770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.05201	1.4
82.08428	1.3
96.29881	1.4
120.87239	1.3
128.62570	1.5
138.39043	1.4
171.73878	1.4
227.74251	1.5
253.82994	1.5
294.34482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.4
61.98827	100.0
70.89379	2.5
70.95847	2.7
102.93980	2.7
131.30112	2.6
166.34103	2.7
171.03145	2.6
211.35687	2.8
266.45416	3.0
291.19699	3.8
313.17786	11.2
334.69003	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21081	1.5
56.23584	1.2
59.01365	1.7
61.98830	100.0
66.99652	1.3
71.43132	1.2
102.11629	1.3
162.95558	1.3
240.37848	1.7
291.19705	3.0
308.93210	1.6
309.20554	2.9
351.34149	1.4
373.10669	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98831	100.0
69.61520	18.1
72.44653	4.5
90.53074	3.6
100.46458	4.0
101.80407	3.6
124.92602	3.6
142.48262	4.4
163.03969	7.6
214.36992	4.2
223.70129	4.5
373.16473	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72217	30.7
61.98831	33.6
70.95430	34.2
71.48161	26.6
99.92593	69.5
116.92854	38.9
118.89966	63.1
132.59758	29.3
143.88857	29.0
225.28929	33.9
372.11737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79125	25.1
58.40239	26.2
65.78225	25.2
69.49287	100.0
73.01077	26.3
98.21862	51.2
143.15315	27.0
144.32716	25.8
366.11346	26.1
399.82657	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
55.01883	1.8
59.01377	98.0
69.03444	3.3
71.01379	45.7
73.02944	4.8
83.01397	1.9
84.65693	1.7
85.02954	11.5
87.00883	4.2
89.02442	44.6
91.05514	4.3
93.03457	8.8
95.01446	3.0
95.05064	3.6
95.37383	2.1
97.02260	1.8
97.02967	3.9
101.02444	23.6
105.03459	9.5
106.04287	3.2
107.05056	4.9
113.02441	17.3
119.03556	15.4
119.05025	55.3
121.03024	2.2
121.06590	22.3
123.04520	99.7
124.04872	2.8
131.05029	2.9
135.04533	3.4
136.01654	20.7
140.94228	2.2
145.09860	2.7
149.06075	100.0
150.06436	6.6
151.03998	29.8
151.07602	3.7
161.04649	3.7
161.06003	2.6
167.07098	34.4
167.08382	2.8
179.05634	2.3
179.07059	2.9
191.07156	5.7
193.05045	60.6
194.05455	4.5
201.52650	2.1
209.08208	7.6
211.06120	19.0
233.08040	2.7
373.11349	12.7
373.20972	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34858	0.5
58.63223	0.5
59.01378	13.7
61.98828	3.6
65.26715	0.4
69.21696	0.8
69.22106	1.9
71.01384	1.2
82.95449	1.0
85.02964	0.6
88.04029	0.7
89.02405	0.4
94.60990	0.5
96.25399	0.4
102.05610	4.1
103.38861	0.4
109.02956	1.0
114.05527	0.5
118.89264	0.5
121.02991	1.1
127.05150	1.1
128.03526	3.5
135.04482	0.8
138.87018	0.4
145.02953	2.4
145.06194	5.6
146.04610	12.1
149.02455	2.7
159.04425	0.6
164.04774	0.6
173.02434	0.9
181.06537	0.5
183.08125	0.6
185.02359	1.1
186.03198	1.3
193.06621	1.0
195.08192	0.7
196.05367	0.6
197.06099	1.9
202.05821	0.5
209.06035	0.9
209.11868	0.5
211.07599	2.8
221.06032	1.8
222.06828	1.1
223.04044	0.5
223.07645	2.5
224.04784	2.7
225.05542	2.5
233.06134	0.7
237.05548	0.8
238.06334	4.3
239.07133	12.8
239.09435	0.9
240.07408	1.2
241.07307	0.9
249.05508	4.6
250.06305	3.2
251.03435	0.8
251.04727	0.5
251.07060	3.9
252.04300	2.1
252.07576	0.9
253.05009	1.9
253.08768	0.9
254.05724	0.8
254.09447	1.1
265.05103	1.0
266.05856	7.3
267.06613	31.8
268.06946	2.4
277.05087	4.0
278.05853	3.5
279.06628	6.0
280.07376	2.7
281.08109	1.1
282.08905	2.6
293.04868	0.5
293.08307	2.4
294.05447	0.9
294.08969	3.5
295.06119	87.7
296.06421	8.5
297.07541	1.3
309.07547	3.0
310.08459	50.0
311.08841	6.4
325.07385	5.1
325.10785	100.0
326.07465	0.6
326.11121	11.6
339.08960	0.5
340.09564	3.5
355.11853	1.8
373.12897	19.0
373.17975	0.9
374.13226	2.1
374.20889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41014	0.5
59.01074	0.9
59.01376	18.8
69.32185	2.4
71.01383	2.3
73.02947	1.1
80.05066	2.3
85.02953	0.7
89.02434	1.0
93.03495	0.8
94.06622	4.6
99.00900	0.5
101.02451	1.7
103.04263	0.8
104.05061	7.9
104.05675	0.8
105.03485	0.5
106.06620	0.7
107.03772	5.9
108.04562	9.6
120.04545	1.1
122.06126	41.4
123.06482	1.6
124.07696	2.3
125.42952	0.5
131.03789	0.7
132.04553	82.8
133.04921	2.9
134.06119	3.6
137.34012	0.5
144.04555	1.2
145.01436	0.6
147.03294	0.7
148.04034	6.4
150.05609	1.9
152.07170	97.2
153.07530	4.0
160.04027	1.3
164.07178	0.5
176.03526	10.0
188.03554	2.6
190.05057	0.8
208.06148	5.0
218.04149	0.5
229.82390	0.6
265.20795	0.5
269.12912	6.2
273.12430	7.3
297.12433	32.6
298.12759	2.9
313.12073	4.8
341.11404	100.0
342.11777	11.2
371.85214	0.6
373.14029	22.7
373.18283	1.0
374.14352	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	2.0
65.86967	1.6
69.03445	1.6
69.40958	5.8
71.01373	9.8
73.02942	2.1
79.02393	1.4
85.02957	4.7
87.00886	2.8
89.02445	6.0
97.02939	1.6
101.02467	8.2
109.02983	1.6
113.02456	4.5
117.08614	1.4
119.03535	2.5
120.99659	2.3
132.04549	3.7
136.01613	2.0
152.07178	4.1
161.04568	1.8
171.10239	1.9
185.11743	1.7
201.11391	2.8
211.08665	2.9
211.13322	1.9
213.11345	7.1
225.14943	41.3
226.15364	2.6
267.12323	1.6
269.13901	6.8
289.67944	1.9
297.12424	2.5
309.30905	1.7
313.03940	1.7
329.16052	2.6
341.11304	2.7
373.13531	4.3
373.18680	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76109	0.2
55.01875	0.3
59.01379	100.0
60.01717	1.1
61.98839	0.3
69.95861	0.3
69.96195	0.5
71.01385	4.6
73.02947	1.6
83.01397	0.9
85.02946	2.0
89.02446	2.8
95.01433	0.2
98.21986	0.3
99.00877	0.3
101.02451	2.8
109.02959	1.2
113.02442	2.3
119.03516	1.0
125.02464	0.3
132.04581	0.4
134.03775	0.9
141.01785	0.4
143.03539	0.4
149.04675	0.3
149.06027	0.2
151.03961	0.3
152.07211	0.3
161.04536	1.4
178.02792	0.6
179.03537	1.1
179.05626	0.3
193.05051	1.3
198.29291	0.2
210.78215	0.2
241.10847	0.3
249.13441	0.3
287.22617	0.2
331.14145	0.2
331.17761	0.9
341.11462	0.6
345.71432	0.2
354.80441	0.2
357.79456	0.2
373.09030	0.4
373.13354	0.5
373.18933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.06043	0.3
57.03428	0.4
59.01379	100.0
60.01722	1.0
63.76669	0.3
69.03479	0.5
69.15617	0.9
69.16039	1.0
71.01378	4.8
73.02945	2.1
83.01411	0.7
85.02956	1.9
89.02444	4.0
90.34943	0.3
97.02921	0.3
99.00866	0.4
101.02439	3.3
111.00883	0.4
113.02451	2.1
119.03510	1.3
120.46114	0.3
121.59813	0.3
124.57977	0.3
131.03445	0.4
143.03471	0.3
150.80653	0.2
152.07175	0.3
161.04575	0.8
162.05005	0.3
179.05679	0.4
211.09911	0.3
331.17517	0.5
377.89703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.62810	0.6
55.01883	0.9
57.03462	0.7
57.41544	0.6
58.00599	1.7
59.01379	100.0
60.01716	1.6
71.01381	42.1
72.99319	0.7
73.02945	1.2
83.01383	1.9
85.02949	7.7
86.86405	0.6
87.00881	1.4
89.02445	47.4
90.02769	0.8
95.01403	2.2
101.02444	27.4
102.02766	0.6
108.02152	0.8
113.02451	15.4
119.03504	22.7
131.03506	2.5
143.03514	2.5
149.04546	1.4
150.03314	0.6
152.07159	1.0
161.04553	2.2
161.38118	0.6
176.81081	0.6
179.05640	3.6
193.12361	4.8
211.13362	1.2
253.09943	0.7
279.19354	0.8
311.10202	1.3
313.10696	1.5
343.12650	2.0
373.13715	5.1
373.18579	35.4
374.18832	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
59.01389	2.2
61.82504	0.9
69.17800	1.9
69.18202	4.0
71.05022	1.3
98.22736	2.0
113.09715	1.1
127.11268	1.1
221.16914	1.8
221.19098	35.1
222.19406	2.9
239.20142	3.0
257.21173	2.0
265.15546	1.9
265.18091	20.4
266.18399	1.7
283.19156	19.8
284.19513	1.5
288.19794	3.1
301.20203	100.0
302.20547	9.4
313.68185	1.1
329.19766	6.8
343.12241	1.1
373.18536	1.9
381.42233	1.1
399.20923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.5
93.03450	1.9
97.06574	0.6
98.24400	0.7
107.16994	0.6
123.48106	0.6
134.66248	0.7
148.08929	1.1
150.10536	1.2
163.11313	1.1
165.12840	23.1
166.13225	1.4
176.12108	1.3
177.12831	1.0
177.14236	0.8
185.89430	0.6
244.10800	3.7
247.20645	12.8
273.18643	7.0
291.19656	100.0
292.20047	9.1
313.17816	13.6
361.50027	0.7
370.63626	0.6
373.19925	16.7
374.20377	1.6
393.09396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96367	1.2
59.01374	16.9
61.43283	1.1
61.98826	2.7
62.89534	1.2
63.55426	1.1
66.33511	1.3
69.03469	2.3
71.05022	17.8
78.68266	1.2
97.06589	6.7
107.05003	1.1
112.50816	1.3
160.77998	1.1
181.12372	1.4
189.06793	1.2
207.13814	2.3
219.13942	2.0
235.17043	3.3
245.19046	1.8
255.13765	2.4
257.15277	6.7
272.31985	1.2
291.19635	41.3
292.19977	5.4
295.16885	1.9
303.56595	1.2
313.17841	100.0
314.18149	10.5
326.74179	1.2
373.18365	1.3
397.91266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09080	0.9
57.03430	3.0
59.01376	18.1
61.98801	1.3
68.75961	0.8
71.44306	1.2
72.75587	0.8
86.64171	0.9
93.03466	2.1
93.07092	1.3
96.00916	1.5
97.06590	2.2
114.32236	1.0
121.10228	17.1
125.09721	6.4
141.12849	1.4
163.03990	0.9
185.11830	11.2
197.11777	1.8
207.09984	4.4
209.11694	1.1
211.13383	2.2
222.21315	0.9
227.18216	1.2
245.19073	6.6
254.46608	0.9
257.97852	0.9
273.18512	1.5
291.19650	68.6
292.19971	7.5
313.17844	100.0
314.18143	10.9
370.54840	1.0
371.20117	1.0
373.19989	1.8
373.24683	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2745
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
56.55194	6.9
61.98831	8.7
69.35377	30.1
74.75459	6.1
98.63991	6.7
121.02957	8.3
155.75461	9.0
329.28467	100.0
330.28778	12.2
373.27527	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2747
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.44460	3.0
69.45565	3.2
92.02688	4.4
97.54914	3.2
106.04247	13.4
119.05018	12.5
121.02950	5.5
288.96356	3.9
329.28470	100.0
330.28961	18.2
373.27487	64.7
374.27664	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2744
Annotation	3b-Hydroxy-5-cholenoic acid
Peak:m/z	Relative Intensity
50.03574	1.2
52.52721	1.3
59.01358	1.8
61.98820	1.7
70.71144	1.8
74.63815	1.2
74.69202	1.2
82.45025	1.2
84.60826	1.4
101.51336	1.2
139.72913	1.4
207.17520	1.6
329.28357	1.7
355.26086	2.2
373.27438	100.0
374.27737	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.5
61.98821	1.3
63.11493	1.1
66.03477	5.5
66.97400	1.2
70.05309	2.8
71.01379	1.9
82.02985	8.7
87.07470	1.2
98.21880	1.1
100.43848	1.1
108.04505	1.2
110.02476	40.7
111.02017	15.6
122.02456	2.6
130.08743	81.3
131.09076	3.2
140.03540	4.5
152.03529	6.0
153.03055	4.1
161.01285	1.2
174.99254	4.3
200.05627	18.1
217.00275	11.8
229.07588	1.3
230.08838	3.3
231.07074	1.1
232.08679	3.6
243.06200	100.0
244.06488	4.0
261.01392	1.9
289.00937	1.8
356.08752	9.2
374.09729	7.1
376.91422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98820	10.5
69.39447	29.8
69.39855	25.3
71.01382	15.9
73.02922	11.4
75.12436	8.9
85.02962	11.1
101.02463	15.7
111.29708	11.4
123.04337	9.5
222.19319	14.7
233.41917	10.8
265.18018	10.8
266.18381	15.1
288.19861	12.8
289.16464	12.6
302.20486	55.2
330.35077	10.5
375.27380	17.4
375.31628	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25202	16.7
59.01381	100.0
71.01360	32.9
73.02942	21.4
75.30538	16.5
135.57628	16.7
136.04832	23.1
150.03239	20.7
162.03259	31.1
163.03455	21.5
179.03468	32.0
180.03928	26.8
217.00261	28.9
232.55281	17.4
270.07007	18.1
287.16794	31.9
317.24033	18.3
320.28482	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25202	16.7
59.01381	100.0
71.01360	32.9
73.02942	21.4
75.30538	16.5
135.57628	16.7
136.04832	23.1
150.03239	20.7
162.03259	31.1
163.03455	21.5
179.03468	32.0
180.03928	26.8
217.00261	28.9
232.55281	17.4
270.07007	18.1
287.16794	31.9
317.24033	18.3
320.28482	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19488	13.3
59.01376	83.2
61.41665	14.4
61.98839	17.3
69.60237	41.3
71.01378	33.2
73.02933	16.0
83.92605	15.5
85.02951	27.6
87.49914	16.7
101.02460	31.6
108.65149	13.6
113.02457	18.7
114.05678	16.5
115.18656	15.3
199.53772	18.8
300.12268	16.2
374.17630	16.9
375.16418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30499	0.2
59.01374	1.7
61.98811	0.3
70.64690	0.6
71.01369	0.6
82.02974	0.3
84.04531	0.4
85.02945	0.6
101.02446	0.3
102.05607	35.3
103.05940	1.0
110.48715	0.3
127.05109	0.6
127.28689	0.3
128.03542	30.5
129.03899	0.8
145.06200	3.0
146.04591	100.0
147.04974	2.6
148.02498	0.3
149.02386	0.3
194.66190	0.3
217.00305	0.6
240.07153	0.3
255.08723	0.6
296.06415	0.9
311.08990	0.5
326.11145	1.3
356.17105	0.5
374.18326	2.0
375.06873	1.6
392.08804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43282	4.0
59.01376	41.8
61.98828	100.0
62.82060	4.1
69.03448	18.2
69.89608	13.9
70.56116	4.2
97.02945	53.5
98.22507	5.9
137.09692	34.3
174.99210	8.4
193.08437	47.0
199.98772	4.6
207.09999	12.2
215.10480	8.3
217.00203	29.6
232.13080	8.4
232.17661	4.5
233.11560	5.1
313.17896	17.1
331.18768	23.5
374.19452	79.3
375.19116	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97144	2.0
59.01374	12.5
61.98829	100.0
70.73857	2.6
80.29115	2.1
102.56898	2.1
134.91399	2.0
174.99217	4.4
208.52203	2.3
215.32324	2.3
217.00345	10.2
223.09068	2.3
264.54221	2.0
312.47437	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71041	1.5
59.01375	6.5
61.98827	100.0
69.41582	5.9
87.19967	1.3
98.21840	2.9
98.31393	1.5
103.78761	1.3
108.26691	1.3
115.68591	1.3
137.93240	1.4
172.76488	1.6
174.99316	2.5
199.33176	1.3
217.00336	4.6
226.07101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
61.98829	100.0
67.40237	1.0
70.67690	1.3
97.02942	2.1
98.02489	2.9
106.46931	1.1
142.05142	1.4
143.64682	1.1
144.96336	1.1
174.99446	1.2
177.49609	1.1
217.00281	4.2
232.10945	2.6
233.11429	1.4
240.65117	1.3
313.17847	1.9
331.18164	1.7
346.17401	1.2
374.24420	33.4
375.24829	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.9
61.98830	100.0
66.03910	1.0
69.28263	2.4
69.28651	2.7
82.48425	1.1
89.78147	1.0
111.08163	1.9
132.09979	1.2
137.50815	1.1
174.99220	1.7
186.09137	1.1
217.00316	5.1
219.10039	9.8
231.39389	1.5
233.11636	6.9
236.16968	1.1
276.10864	3.2
329.17017	2.3
331.18771	4.6
338.07739	1.2
374.19165	1.6
375.18573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99388	3.6
59.01377	24.4
61.98833	100.0
69.84214	12.6
137.60524	4.4
174.99344	8.8
215.95935	5.4
217.00319	31.8
238.13066	3.9
370.97055	4.2
375.17429	4.9
378.05392	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44135	0.7
58.66954	0.7
59.01373	1.3
59.41589	0.7
61.98828	100.0
63.22932	0.6
69.23074	4.4
73.53993	0.7
114.18204	0.6
130.45105	0.7
199.22047	0.7
217.00311	0.9
221.29919	0.8
244.08371	0.7
280.73792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14619	4.1
59.01373	29.2
61.98829	100.0
62.80946	4.0
66.84486	3.8
69.67814	14.7
70.23511	3.5
86.01297	3.8
87.73065	4.5
112.11776	4.8
161.02412	11.4
174.99219	12.0
199.45691	4.5
217.00240	24.1
225.00812	5.3
286.94962	5.0
305.72366	4.5
374.24268	6.2
374.98639	5.1
378.51022	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71854	0.7
54.23747	0.7
57.03426	0.9
59.01382	8.3
67.01886	6.5
69.03455	18.2
69.20624	4.4
71.01382	3.7
79.95734	15.9
80.02734	0.6
80.96502	2.5
81.03452	3.0
83.05030	1.3
83.31542	0.7
85.02956	1.3
89.02458	1.6
91.01900	1.4
93.03471	4.5
95.01375	1.6
95.05015	1.0
96.02152	3.3
97.02962	4.7
101.02439	1.4
106.04240	2.2
107.05040	4.1
108.02215	1.1
109.02953	10.2
111.03892	0.7
111.04543	6.0
113.02446	0.7
113.34777	0.6
119.05043	1.9
121.02946	5.2
121.06568	1.1
122.03762	4.8
123.04541	5.7
125.06136	0.8
126.93735	0.6
130.08728	1.3
131.05038	1.9
133.02933	2.6
133.06593	1.4
134.03732	1.2
135.04509	3.5
137.06107	1.1
143.04944	0.8
147.04518	1.7
147.06526	1.1
148.05321	7.0
151.03917	1.0
152.04799	2.5
153.05612	0.7
159.04498	1.1
161.06062	1.1
163.04103	1.1
165.05574	1.5
167.07153	0.7
174.05550	2.3
175.04007	2.6
175.06357	8.0
177.05569	6.9
183.08145	1.1
191.07143	9.6
199.11331	1.5
206.43135	0.7
208.13765	0.7
217.00291	1.3
219.06621	2.3
227.07191	1.1
227.10751	1.3
229.08705	2.7
241.08713	1.7
253.08789	0.8
255.10060	1.9
257.08157	4.5
257.11911	1.1
259.09738	2.7
265.07419	5.6
266.08206	56.5
271.09714	2.3
273.11209	1.0
280.09769	1.5
281.10565	50.1
283.09750	6.4
287.09271	1.4
287.12601	0.7
296.12918	57.7
299.09314	1.5
301.10806	100.0
302.11166	11.3
313.10803	1.1
331.11890	9.5
332.12155	2.3
340.18735	2.2
375.16235	1.1
376.08591	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Loganate
Peak:m/z	Relative Intensity
52.19370	1.4
57.03433	3.9
59.01377	95.2
59.45545	1.9
60.01703	1.9
61.98819	6.2
66.65868	1.4
69.03455	58.9
69.91879	3.2
69.92192	1.8
71.01007	2.9
71.01380	38.4
72.99298	3.1
73.02959	3.5
79.34886	1.8
79.94930	1.7
80.93838	1.6
81.03472	2.3
83.01386	3.6
85.02975	9.5
87.00875	6.5
89.02446	37.2
93.03440	2.5
95.01382	3.6
95.05024	50.1
96.05376	2.2
98.21916	3.0
99.04543	7.3
101.02444	21.7
107.05029	32.2
113.02452	28.0
114.05614	1.9
119.03510	12.9
119.04996	2.9
123.04527	2.2
125.06087	9.6
133.02901	2.6
133.06612	3.7
147.92162	1.7
151.06473	2.1
151.07635	46.1
152.07954	2.4
161.04578	3.7
169.08702	82.7
170.09053	4.2
174.99234	5.7
177.01881	2.7
179.05647	3.1
193.04964	1.7
201.01726	1.7
213.07677	100.0
214.08052	3.7
217.00294	19.0
230.14790	1.6
288.48001	1.6
375.12909	90.2
376.13071	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12428	0.6
55.17153	0.6
59.01380	100.0
60.01701	1.3
61.98830	1.8
70.63953	0.8
71.01393	1.9
73.02981	0.7
84.36804	0.6
85.02932	0.8
88.58446	0.6
101.02453	1.4
107.05038	1.3
113.02464	0.7
120.02207	1.9
123.51986	0.6
132.98245	0.6
135.04524	0.9
138.03229	4.2
147.06693	0.6
153.05577	54.4
154.05940	1.9
161.04530	3.9
174.99260	3.7
177.29045	0.6
179.03496	0.8
195.06656	1.6
217.00304	11.0
266.65878	0.7
281.18015	0.6
316.07306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67345	1.4
58.00569	1.8
59.01375	100.0
61.98821	5.8
69.90133	2.5
69.90458	1.6
71.01381	39.6
72.99276	1.7
73.02952	1.4
77.85350	1.2
85.02952	7.6
87.00872	7.5
89.02443	53.3
95.01381	2.5
97.94241	1.2
101.02451	20.6
113.02449	18.2
115.03951	1.4
115.82128	1.3
117.03463	5.0
119.03496	25.7
121.02947	1.7
122.03718	2.6
131.03502	2.9
133.02994	1.4
134.03735	2.0
134.04712	1.9
135.04509	3.0
143.03523	3.3
145.02946	21.5
146.03687	5.5
147.04517	6.7
149.02443	3.2
150.03206	4.8
157.03465	1.5
161.02441	23.1
161.04562	4.7
162.03214	27.6
163.03761	2.0
164.04739	2.1
165.05571	11.2
174.99258	17.4
177.05547	16.1
179.05583	8.5
180.04239	5.5
195.06635	15.6
201.02588	6.4
217.00291	58.1
218.00577	2.0
229.49715	1.3
255.02786	1.4
259.05688	1.6
275.96356	1.4
302.89453	1.3
315.04538	1.9
357.11731	5.0
374.99139	3.9
375.06433	1.7
375.17383	1.4
378.43753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1308
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
55.01871	1.0
57.03423	0.6
59.01379	16.1
69.12816	2.4
71.01381	6.3
73.02945	1.5
75.00856	0.5
83.01374	1.1
85.02943	3.0
86.29176	0.4
87.00844	0.5
89.02449	5.4
94.15662	0.4
101.02436	5.6
102.05614	3.1
103.05965	0.7
109.02943	0.5
113.02450	2.2
119.03474	2.4
128.03561	2.3
129.03909	0.9
144.08170	1.1
145.07693	0.7
146.04604	7.2
147.05003	3.2
150.03223	1.7
161.04552	0.8
165.05562	1.4
169.07678	0.6
174.99292	0.5
177.09206	0.9
179.05646	0.9
184.08824	2.2
185.07156	0.7
194.69644	0.5
195.06584	1.0
196.01373	0.4
197.05937	1.0
198.06740	2.9
212.08292	21.1
213.08582	1.3
217.00270	1.0
224.08266	0.5
240.06508	4.3
241.07312	9.8
242.07680	0.7
255.08873	100.0
256.09213	8.6
257.10434	0.8
268.84528	0.4
327.12299	0.6
357.15591	2.6
375.06812	1.6
375.12903	5.2
375.16614	12.0
376.16879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.7
60.47569	1.7
70.12209	3.0
71.01380	4.6
73.02946	3.5
85.02966	2.0
89.02461	2.5
93.03458	3.6
101.02425	2.5
108.02142	2.5
109.02946	8.7
113.02440	2.9
121.02950	3.7
122.03773	12.4
123.00806	2.2
123.51574	1.6
133.02902	1.9
136.01671	8.9
146.03719	9.9
148.04388	5.6
149.02454	19.8
150.03227	80.5
150.05623	3.9
151.03987	11.2
161.06027	3.4
164.04829	10.1
165.05568	100.0
166.05930	3.4
175.04024	3.7
176.04755	3.5
179.07130	12.5
180.04305	6.4
189.05537	4.3
190.06345	2.4
191.07149	2.9
195.06619	54.6
195.76161	1.4
196.06950	3.6
209.11835	6.6
213.11311	4.7
215.12935	3.4
217.00368	4.5
227.12926	5.2
233.16116	1.8
239.11003	1.9
246.99959	1.9
261.05667	2.1
267.06552	4.2
279.06607	6.8
282.08884	2.9
297.07901	2.8
297.11276	6.7
309.11496	2.0
312.10010	10.5
327.08463	2.8
327.12360	55.0
328.12744	5.3
345.13504	5.7
357.14478	1.8
375.16226	13.4
389.18790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92088	0.9
59.01373	4.8
61.98825	1.3
70.65652	1.7
71.01379	1.2
79.95756	1.6
80.96499	1.1
93.03477	2.6
95.01350	1.0
95.05050	1.6
116.94033	1.2
121.02947	13.7
122.03757	8.1
123.04506	1.4
133.02951	1.7
136.01735	1.1
146.03754	6.9
147.04539	2.2
149.02441	100.0
150.03238	60.4
151.03592	3.6
161.06078	2.1
162.17496	0.9
164.04794	26.5
165.05563	75.7
166.05905	4.1
175.06416	1.6
179.07127	9.7
180.04301	5.5
180.22733	0.9
195.06627	31.5
196.06995	2.4
209.11804	1.4
260.50055	1.0
266.08221	8.2
281.08026	1.4
281.10608	8.5
283.09607	2.7
296.12857	10.2
297.07788	2.0
301.10641	1.7
312.10046	28.1
313.10373	2.3
327.12384	87.3
328.12750	9.1
375.16345	1.9
376.08627	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49037	1.0
55.01869	4.2
57.03434	2.8
59.01379	65.2
60.01710	1.3
64.43533	0.9
69.29251	4.5
71.01379	33.8
72.99307	1.1
73.02944	7.3
83.01382	6.9
85.02952	13.9
87.00880	2.3
89.02442	28.7
95.01379	2.6
96.96027	1.3
98.21971	2.5
98.22624	1.4
99.00872	1.8
101.02443	27.6
102.05618	9.4
103.05974	2.9
113.02448	14.4
113.03612	1.0
119.03492	13.5
125.02425	0.9
128.03525	7.6
129.03893	2.6
130.08672	0.9
131.03564	1.1
131.04604	1.9
143.03510	1.9
144.08206	1.1
145.06212	1.2
145.07692	1.2
146.04596	27.7
146.06429	1.1
147.04976	10.6
148.04036	1.4
148.05069	1.1
149.04593	1.5
150.03232	2.9
161.04544	3.6
165.05592	2.2
169.07668	1.4
169.12222	1.1
177.09187	5.4
179.05675	5.3
184.08780	2.5
195.06631	1.7
195.10248	1.7
196.01273	1.5
197.02055	2.1
198.06726	2.5
201.60155	0.9
212.08284	23.2
216.98392	1.0
217.00340	3.3
240.06555	3.3
241.07361	9.7
255.08881	100.0
256.09320	7.3
271.85379	1.0
331.17752	1.3
341.12177	0.9
346.60779	0.9
357.15561	16.2
358.15741	1.4
375.07043	7.1
375.16656	73.0
376.16922	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70525	0.6
59.01106	1.1
59.01378	11.8
69.40702	3.1
71.01379	9.7
80.91676	1.4
98.22763	0.7
99.92590	0.9
164.08452	1.1
174.99199	4.8
177.09195	3.3
190.09990	1.7
192.11545	9.4
205.12332	3.1
217.00284	14.1
217.08565	0.8
218.09415	1.7
220.14680	36.7
221.15450	100.0
222.15793	8.4
236.10522	83.4
237.10869	7.0
289.18188	1.0
291.85791	0.7
293.17578	44.0
294.17773	3.4
318.09421	1.5
321.15656	1.0
329.17172	1.3
374.99274	1.5
375.17938	11.2
376.18231	1.5
384.45544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26751	0.5
70.35300	0.5
70.75628	0.9
73.38598	0.4
74.99059	2.1
81.86231	0.5
88.02719	0.5
137.94179	0.5
149.00931	0.7
159.08470	10.0
161.06398	2.1
167.79745	0.5
209.01317	1.6
217.07259	0.8
275.05969	0.9
277.07587	2.0
289.07654	1.0
291.09097	92.8
292.09222	11.6
293.07455	0.6
309.10229	1.3
357.13931	1.2
359.15344	100.0
360.15530	15.9
375.18463	9.2
376.18585	1.9
377.16354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19039	0.7
69.72153	2.3
71.98865	0.6
74.99047	2.4
78.50560	0.6
80.86877	0.6
81.34061	0.6
87.99721	0.6
92.30530	0.6
115.15199	0.6
143.05296	0.7
159.08469	9.6
161.06371	1.3
192.97971	0.8
209.01312	1.4
217.07166	1.1
275.05942	1.0
277.07596	2.1
289.07547	1.7
291.09091	99.7
292.09219	13.4
309.10263	0.8
357.13837	2.0
359.15338	100.0
360.15488	16.9
375.18442	9.8
375.22720	1.0
376.18372	1.8
383.61368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.03450	1.1
59.01381	59.6
60.01722	0.7
61.98825	0.8
71.01382	24.3
73.02961	1.5
83.01380	2.0
85.02960	6.5
89.02448	22.1
93.03464	6.9
94.06627	1.7
95.01371	2.8
97.03613	0.6
101.02440	14.3
109.02948	7.2
113.02445	8.3
117.45477	0.6
119.03489	7.4
119.04996	0.7
121.02958	60.5
122.03857	4.9
123.04539	2.2
129.03474	1.4
135.04533	1.0
136.05244	0.7
147.04512	8.8
149.06076	0.8
161.06038	2.2
161.97205	0.7
164.04761	0.9
165.05566	28.7
166.05898	1.5
178.06380	1.4
179.07118	9.1
195.13898	8.7
196.09749	0.9
210.58827	0.6
213.14952	4.9
217.00343	1.4
237.11409	1.0
315.12503	1.0
329.14038	3.1
330.14252	0.8
357.19711	0.6
360.15762	18.2
361.16061	2.1
366.03528	0.8
375.20648	100.0
376.20230	11.1
381.24652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39957	0.3
53.40299	0.3
54.09425	0.3
59.01378	100.0
60.01722	1.1
68.62685	0.3
71.01376	2.3
73.02947	0.6
83.01421	0.3
83.38094	0.3
85.02978	1.0
86.26982	0.3
87.44571	0.3
89.02447	0.7
94.15317	0.3
101.02448	1.3
102.17610	0.3
113.02455	1.3
113.65749	0.3
161.04562	2.5
173.61398	0.3
173.62888	0.3
188.47063	0.3
195.07030	0.3
277.64893	0.4
294.36041	0.4
315.18253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.4
60.67096	1.7
61.98822	5.3
66.95625	1.7
70.42580	3.7
75.39965	1.9
99.92562	3.2
121.10222	26.9
127.11251	1.7
141.09233	2.4
149.45309	1.8
171.10265	66.1
172.10579	2.0
177.16518	2.8
183.13914	4.4
185.11813	2.4
207.09898	2.9
209.08012	1.8
231.21146	5.3
275.20157	89.7
276.20337	8.5
278.11194	9.2
290.18097	1.9
293.21228	100.0
294.21570	8.5
297.18533	2.4
297.61536	1.8
315.19376	63.8
316.19775	4.6
335.30573	2.1
375.21552	35.5
376.21671	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10302	1.3
59.01380	23.5
69.97185	1.4
70.99993	1.5
85.45245	1.6
95.05022	38.6
99.92567	4.0
150.02953	2.6
179.14359	1.9
189.05243	2.6
195.13889	11.3
196.14603	2.8
223.13403	11.0
224.13878	2.1
246.12337	29.0
246.14856	1.5
247.12723	1.8
247.36166	1.7
256.13077	2.2
265.22040	1.4
275.20169	6.7
277.47501	1.5
278.11331	67.3
279.11667	4.7
293.21219	100.0
294.21457	12.7
315.19446	22.6
316.19678	3.3
375.21414	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.3
61.90493	0.9
61.98825	7.9
71.44696	1.1
84.67883	1.3
105.20939	1.1
119.12378	1.2
121.61027	0.9
134.71626	1.0
142.07945	0.9
174.99216	2.0
197.01712	1.0
217.00269	4.7
247.13152	1.2
249.22348	1.6
278.11191	1.2
293.21219	100.0
294.21570	9.5
313.17868	1.3
315.19385	33.1
316.19730	3.4
375.21481	12.0
376.21490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71127	0.6
57.03209	0.6
57.03449	4.5
57.66824	0.6
59.01380	26.7
61.98830	3.8
67.50456	0.7
70.50163	1.4
80.01173	0.6
87.28754	0.7
97.06567	1.0
97.95515	0.6
106.22151	0.7
111.08174	1.0
113.09729	17.5
121.06586	2.8
121.10210	1.9
125.09781	0.8
134.73056	0.7
139.11295	1.9
146.92110	0.6
149.09608	1.0
150.69640	0.7
167.10757	3.0
171.10287	6.7
171.20528	0.8
177.12883	1.1
179.10786	2.3
185.11874	0.8
193.17311	0.7
195.13896	2.9
215.10349	0.9
217.00264	2.4
217.12154	3.6
235.13258	0.8
247.09477	0.8
247.20663	1.9
249.11151	1.1
249.22269	2.6
272.13943	1.8
275.20108	9.7
276.20334	0.7
292.92416	0.6
293.21222	85.8
294.21558	8.3
315.19394	100.0
316.19739	10.8
375.21298	7.5
376.21606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01377	13.5
70.17412	0.6
71.36958	0.9
74.54958	0.5
97.06571	1.1
121.10277	0.6
123.08080	0.8
125.09721	3.9
141.12865	1.4
149.09727	1.6
165.45006	0.6
185.11815	9.1
186.12120	0.7
197.11775	1.9
209.07883	0.8
217.00313	1.1
247.20557	1.3
249.22144	1.3
293.21216	100.0
294.21503	8.8
301.38889	0.6
303.65958	0.5
310.03088	0.5
315.19379	33.3
316.19559	3.1
353.24072	0.6
370.62671	0.5
375.21454	6.7
376.21759	0.9
376.94666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50016	1.0
59.01374	1.7
69.12793	3.7
69.13221	2.8
79.95737	25.0
80.96497	4.9
82.41148	1.2
107.42580	1.0
118.02969	1.5
118.88596	1.1
133.60210	1.3
174.05592	3.7
175.06377	13.4
190.05110	1.0
265.07404	9.0
266.08197	87.8
267.08539	8.6
280.09714	1.4
281.10553	92.0
282.10941	8.5
296.12900	100.0
297.13226	9.7
302.11136	1.8
340.18674	1.1
376.08569	97.3
377.08893	11.0
377.18137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23928	11.6
59.01379	100.0
61.98838	20.0
63.13114	9.8
69.09156	29.1
69.09562	48.3
79.72868	12.4
80.36781	11.3
80.96566	13.4
82.56531	10.1
83.94532	11.3
95.25180	10.6
116.48826	11.7
127.30791	12.0
192.27449	11.4
226.07019	10.8
372.19937	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98809	21.6
69.22910	15.2
70.80728	14.5
80.96497	16.8
101.55598	13.3
131.00537	17.7
193.79538	14.0
247.95740	14.8
270.05051	13.7
291.18134	17.4
343.58615	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.37989	53.0
70.12308	12.6
71.01378	17.4
90.59530	10.5
111.01270	12.7
113.48804	13.0
160.13965	14.1
191.73682	12.3
219.42937	12.0
234.75415	12.9
301.09689	12.1
309.58163	13.4
341.19794	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	7.8
59.44346	2.2
61.98830	100.0
67.68816	2.1
69.32217	6.1
69.32623	6.6
70.95053	2.1
93.39790	2.2
97.63050	2.2
98.22740	4.0
121.97997	2.1
128.31956	2.4
139.11256	4.9
147.11761	3.2
165.12825	6.7
169.94508	2.7
193.08395	7.3
197.42438	2.3
215.10504	8.5
233.11571	94.7
234.11931	3.9
247.69591	2.2
262.09241	2.6
276.11041	12.6
315.19446	2.5
331.18735	3.7
333.20279	8.2
334.20874	2.5
376.21008	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	19.1
61.15856	12.2
61.98827	29.5
69.60313	42.3
97.02974	11.8
102.20755	11.6
107.13715	14.1
111.08180	18.0
197.11795	45.5
211.13565	13.7
219.10017	21.6
291.19620	30.2
309.20746	100.0
331.19022	14.7
333.19992	13.9
377.19315	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.3
61.98830	100.0
69.34377	5.9
70.75880	2.0
81.19289	2.1
83.99144	2.3
87.00875	4.2
98.22626	3.7
106.47368	2.2
117.34144	2.2
139.11250	2.6
151.15024	2.4
163.11406	2.6
193.08496	9.5
208.55064	2.0
218.00505	2.3
231.10052	4.8
259.16998	5.4
262.11917	6.9
274.55841	2.4
309.20712	5.3
331.18726	5.9
376.17331	6.2
377.08768	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.5
61.98830	100.0
69.65740	3.9
69.66106	3.4
75.94490	2.2
94.37947	2.2
95.09404	2.6
98.21975	3.2
112.45339	2.0
124.43097	1.7
132.61017	2.5
133.07104	1.9
219.09962	2.4
233.11481	4.2
365.03937	2.0
369.86041	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.2
61.98827	100.0
69.16205	8.0
69.16613	9.0
85.45148	3.2
89.22909	2.5
139.11234	2.9
193.08406	3.4
215.10423	4.6
233.11552	50.0
245.91653	2.9
276.10950	8.6
333.20541	3.3
376.21289	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2855
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
53.42266	0.3
59.18829	0.2
69.70974	0.6
69.71318	0.6
76.63828	0.3
84.93861	0.8
93.35669	0.3
99.92581	6.2
100.93343	0.9
114.93401	0.7
115.92061	2.2
116.78984	0.3
116.92860	38.4
168.38622	0.3
174.03172	0.3
220.20682	2.2
230.19270	0.7
244.20686	0.4
247.20586	0.3
272.20361	0.3
278.22208	0.4
290.21191	1.9
328.26498	0.5
332.25821	1.6
333.15369	0.5
346.27551	1.3
358.27383	0.5
365.13977	0.3
376.28564	100.0
377.14240	6.6
377.28882	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.7
62.44057	4.1
69.82159	14.3
71.01383	24.1
73.02969	4.6
85.02957	9.8
87.00861	7.6
89.02439	34.9
94.78050	4.3
97.86238	3.8
98.22545	5.9
101.02453	15.6
113.02437	12.0
119.03511	17.4
125.37751	4.3
133.05048	9.7
135.04507	12.1
148.50436	4.4
161.04567	9.4
179.05638	14.8
191.05638	12.5
197.02176	5.3
215.03314	19.4
253.66071	4.2
279.10950	6.8
341.10898	100.0
342.11371	9.1
358.08160	4.7
377.08600	81.6
378.09436	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.2
59.01374	100.0
61.44386	6.4
61.98829	51.7
69.72826	16.9
69.73180	10.5
71.01396	39.8
73.02945	11.5
75.00880	5.9
82.95416	59.6
85.02937	24.2
87.00861	5.8
89.02419	29.5
95.04979	7.6
96.95995	21.2
98.21961	12.0
99.92612	6.4
101.02435	21.2
112.76443	6.0
113.02431	13.3
113.44321	6.2
119.03510	8.2
134.04721	15.5
135.04465	56.6
153.09178	13.9
161.02362	12.9
161.04556	14.4
173.02420	6.6
179.03447	17.2
179.07130	6.8
197.08141	12.6
197.90100	5.7
215.09148	15.1
276.70853	6.7
287.06198	7.2
295.12762	6.9
333.13516	18.8
341.08496	13.7
377.03937	11.5
377.09039	6.0
377.14200	40.0
378.10410	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.7
61.98827	1.4
67.01889	3.7
69.03448	2.7
69.23768	3.3
69.24174	1.6
70.75603	1.2
71.01378	4.3
81.33230	1.0
85.02978	1.4
88.20742	0.9
89.02448	3.6
93.03463	5.6
96.96053	1.2
98.22028	4.2
99.00887	1.0
101.02448	2.8
106.04249	1.4
107.05019	3.5
108.02174	3.3
109.02950	30.3
111.04539	2.9
113.02495	1.6
119.05029	2.4
121.02956	50.4
121.06503	1.1
122.03754	16.0
123.04588	5.2
123.08174	1.8
125.06038	1.3
129.03459	4.5
134.03754	2.0
135.04497	4.7
135.08228	1.3
137.02451	1.2
146.03732	1.3
147.03336	2.0
147.04515	32.1
148.05205	1.2
148.32332	1.1
149.06093	12.5
151.04027	1.9
153.09207	13.6
161.06058	3.7
163.04044	1.4
165.05560	82.9
166.05914	4.3
167.07133	8.3
173.05847	0.9
177.05585	2.7
179.07149	11.0
181.08723	2.8
191.07101	1.5
197.08189	3.7
209.08147	2.9
215.07466	1.1
215.09224	6.5
243.10287	2.2
244.11090	1.8
259.13654	1.1
261.11279	1.4
273.11319	2.4
285.11292	2.0
287.09241	2.3
288.10062	3.4
303.12366	16.3
318.11133	11.7
319.11353	1.7
333.13425	100.0
334.13800	11.4
334.17493	1.6
377.14560	22.2
378.14664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28395	0.8
54.08625	0.9
54.56175	0.8
55.62969	0.9
55.90960	0.8
56.91761	0.9
59.01380	7.9
61.98819	1.2
67.01899	3.9
69.03458	2.1
69.11527	3.3
69.11931	2.2
71.01397	2.2
83.18565	0.9
85.02969	1.9
89.02461	1.1
93.03468	3.8
101.02412	1.4
107.05015	2.2
108.02182	2.3
109.02959	25.5
111.04541	2.7
119.04996	1.6
121.02956	41.3
121.06610	2.6
122.03780	12.1
123.04539	5.0
123.08128	1.4
125.06139	0.9
129.03456	4.4
135.04530	3.8
137.02512	1.2
137.06097	2.2
142.01584	1.0
147.04527	31.5
148.05281	2.5
149.06117	7.8
151.03992	1.4
153.05501	0.9
153.09219	7.2
161.06096	3.4
164.04813	0.8
165.05568	68.7
166.05879	4.2
167.07126	8.0
170.21494	1.0
177.05545	2.4
179.07137	10.2
181.08696	2.8
191.07111	1.5
197.08293	0.9
209.08183	3.1
215.09221	3.0
243.10265	1.2
244.11072	1.2
285.11395	1.5
287.09247	0.9
288.09985	2.5
303.12442	14.0
304.12662	1.5
318.11035	10.8
333.13428	100.0
334.13693	9.2
377.14606	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1425
Annotation	Go 6976
Peak:m/z	Relative Intensity
50.04717	0.3
59.01391	0.3
59.42554	0.3
61.98820	1.2
77.94141	0.2
84.93868	2.6
91.24316	0.2
94.44941	0.3
99.92584	17.2
100.92603	1.0
100.93356	2.7
102.16363	0.3
106.04968	0.2
115.92069	5.4
116.07181	0.8
116.92861	100.0
117.92875	5.2
117.93626	0.5
155.20624	0.3
184.59145	0.3
220.20648	0.4
225.18567	0.3
247.20702	0.4
276.61261	0.3
277.21530	0.4
315.14233	0.3
333.15280	1.5
359.13058	0.5
365.14258	1.0
373.11356	0.3
376.28586	9.7
377.14240	22.7
377.28864	9.8
378.14505	3.9
378.29868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1424
Annotation	Go 6976
Peak:m/z	Relative Intensity
69.83801	1.4
70.97886	0.4
84.93871	7.8
85.93899	0.8
98.21955	0.9
99.92586	71.3
100.92615	4.0
100.93351	21.5
100.94050	0.8
101.93420	0.8
115.92081	19.9
116.92860	100.0
117.92874	4.6
117.93650	0.6
166.19644	0.5
247.46989	0.5
267.06989	0.7
290.06033	0.8
308.07263	3.3
309.07736	0.5
315.14218	1.2
333.15182	1.4
359.13257	4.5
360.13272	0.7
373.11044	2.4
377.14230	52.7
378.14435	8.5
391.12256	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.1
61.62495	0.7
61.98831	26.8
65.06335	0.8
69.21663	2.7
69.22064	1.8
71.01374	2.4
73.02944	1.1
76.71365	0.7
79.95731	0.8
85.02938	1.0
89.59953	0.8
92.66940	0.8
93.03451	2.7
95.01407	1.1
96.96044	1.0
101.02442	1.2
115.21321	0.9
121.02969	9.1
122.03726	2.5
132.02179	0.7
147.04529	0.9
148.04372	0.9
149.02446	96.6
150.03242	26.1
150.04292	1.3
151.03644	1.1
164.04793	19.4
165.05576	27.4
166.06166	3.0
167.05917	0.9
167.07137	5.9
173.04552	2.6
179.46805	0.8
180.04289	1.9
181.08699	1.4
195.06624	13.1
196.06912	1.2
209.11821	1.2
210.12035	1.1
227.12859	1.5
242.01358	1.1
253.26482	0.9
283.09821	3.0
285.11404	1.0
314.11606	31.9
315.11917	3.6
315.18387	1.4
329.13943	100.0
330.14273	11.9
377.08563	1.4
377.17712	3.0
377.22107	1.6
378.10107	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70887	0.7
59.01376	21.8
60.01686	0.8
61.50782	0.7
67.59742	0.7
69.13125	3.7
69.22588	0.8
80.54926	0.7
98.22708	1.4
125.09655	0.7
141.12895	1.0
151.11285	1.5
152.20255	0.9
152.85117	0.8
153.44489	0.9
171.10266	31.7
172.10606	0.8
194.12604	0.9
195.13876	1.7
249.22247	2.4
262.15793	0.8
277.21704	39.0
278.22067	3.4
279.19254	0.8
295.22766	100.0
296.23111	11.0
317.20959	37.9
318.21204	4.2
361.20062	2.4
377.23001	27.1
378.23590	3.9
381.54529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2697
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
59.01392	5.9
60.81375	3.0
61.98816	10.8
69.37488	17.9
69.37778	3.1
86.17081	4.1
98.22680	4.4
99.92581	7.9
100.92612	3.8
103.54723	3.5
115.07666	4.1
221.11909	6.5
239.12926	6.3
249.18553	5.5
261.18512	4.1
261.22321	8.9
279.19507	4.7
295.22632	9.5
315.26822	10.8
317.21109	6.6
341.24808	4.7
359.21732	5.6
359.25891	73.4
359.29990	6.9
360.26212	10.8
377.13583	3.7
377.26968	100.0
378.27225	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44864	0.5
59.01375	0.5
59.49641	0.4
64.71381	0.5
67.65762	0.6
70.72022	0.5
70.72363	0.6
79.95737	40.5
80.96506	5.6
99.91852	0.5
106.04240	19.3
106.04961	1.1
107.04553	0.6
160.04080	3.1
161.04816	7.1
162.05608	41.5
163.05983	2.4
174.05670	0.7
176.07162	21.6
177.07516	1.1
178.05096	0.7
194.08267	0.7
226.72292	0.5
242.01279	60.8
243.01613	3.2
257.03635	5.2
272.02252	2.4
289.02771	0.6
298.14435	16.1
299.14801	1.4
313.51886	0.5
313.99789	0.6
374.19824	0.6
378.10141	100.0
379.10461	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40599	0.8
58.89870	0.8
59.01380	25.1
61.98822	3.6
70.21540	0.8
71.01380	4.3
71.42686	0.9
71.43066	0.8
73.02951	1.7
74.17947	0.8
79.91752	0.8
79.95744	16.4
80.96541	4.2
82.95450	1.2
83.05020	0.9
84.95132	1.0
85.02975	1.4
89.02449	3.4
93.03474	1.9
95.05054	1.5
96.96008	2.6
101.02465	2.5
113.02451	2.1
113.06065	3.8
119.03493	1.4
121.03043	1.0
122.03742	3.1
135.04504	5.9
136.04834	1.3
137.02359	1.1
147.04530	12.6
148.05283	2.8
149.06067	1.1
151.57706	0.8
161.04601	1.3
162.05600	3.1
163.03996	2.4
163.06395	0.8
176.07161	5.0
177.07921	13.8
177.09309	1.2
178.08638	1.6
179.03482	1.7
181.05029	1.2
192.10330	27.8
193.10632	1.6
199.09747	1.4
200.98608	0.9
225.05649	2.3
226.06351	56.2
227.06680	4.4
237.05649	1.0
239.07156	10.8
240.07826	2.5
253.08763	1.0
289.04053	3.6
296.12976	3.7
297.13455	11.8
298.14478	81.0
299.14777	8.3
318.06851	1.3
378.10178	100.0
379.03549	1.5
379.10519	11.3
379.16074	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67414	1.3
59.01390	11.8
61.98833	100.0
70.91891	1.8
71.01379	2.8
81.02216	1.3
87.00893	1.7
89.02448	4.5
103.92030	2.5
104.15784	1.3
122.89411	3.6
123.67464	1.5
132.61057	1.2
152.53511	1.3
219.97765	2.7
253.52283	1.4
271.01453	2.0
306.99164	2.1
333.98907	1.5
341.10873	1.6
342.11148	2.6
378.10278	1.3
379.08057	2.8
379.16080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
61.64788	0.6
61.98829	100.0
65.78874	0.6
69.71472	1.8
71.01361	1.1
89.02454	1.1
92.88772	0.8
98.21979	1.2
101.02464	1.3
149.93993	0.8
154.06337	0.8
216.79945	0.8
234.32286	0.7
317.65622	0.9
378.09378	1.0
378.17679	1.4
379.07584	2.5
379.16144	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75568	0.6
59.01383	2.4
61.98828	100.0
71.01381	5.9
71.42105	1.0
71.42477	0.6
84.00912	5.7
96.26564	0.6
97.28024	0.7
98.96965	0.6
101.98085	5.0
104.39781	0.5
116.96835	0.8
155.99191	1.9
166.33218	0.6
177.09233	1.8
192.11572	4.8
193.08463	0.8
193.12291	0.8
205.12384	2.2
218.09474	1.3
220.14674	34.6
221.15445	59.0
222.15773	3.9
231.17564	2.2
236.10532	43.3
237.10951	4.1
247.04178	0.8
248.04807	0.9
260.04691	0.9
273.14703	0.7
275.03601	1.2
275.16510	5.1
276.04242	1.2
289.04950	1.0
290.05869	0.6
293.17581	12.3
294.17847	1.4
304.03809	2.1
305.12381	3.0
306.13287	2.4
319.06024	1.1
321.04022	5.1
321.07742	0.9
335.05573	2.1
349.03525	6.6
351.53079	0.7
360.14352	6.1
361.14865	0.7
363.05176	2.6
364.05972	3.5
364.10001	0.7
378.15326	48.3
379.03513	0.9
379.08258	17.7
379.15488	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83456	0.3
55.80239	0.3
59.01392	0.5
61.98829	100.0
69.24406	0.9
69.24809	0.6
74.83537	0.3
133.57030	0.3
175.69794	0.3
293.21213	2.4
294.21683	1.2
302.73849	0.3
341.09393	0.4
347.25000	0.3
360.12695	0.4
378.19031	5.4
378.23520	0.5
379.19135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92076	13.6
55.20646	12.7
59.01381	26.3
61.98828	44.7
62.67924	12.7
66.04925	13.2
70.40795	28.2
85.78242	14.6
107.94958	14.4
134.74478	12.2
151.87146	14.6
165.43257	13.7
180.45979	13.1
183.13889	13.7
211.13574	15.8
219.10019	14.9
261.18561	54.3
276.85211	15.3
311.22183	100.0
333.20566	23.5
335.05789	16.0
335.22046	35.2
378.20120	27.7
379.20895	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0457
Annotation	Tetracenomycin D3
Peak:m/z	Relative Intensity
52.20740	1.2
55.98590	1.1
59.01369	4.0
61.98795	1.6
69.60944	4.4
69.61289	1.3
80.66304	1.3
83.05010	1.4
88.04025	1.5
92.91032	1.5
98.21968	2.3
98.70399	1.2
102.76198	1.4
128.60016	1.5
158.03731	3.1
161.65210	1.2
171.10350	2.0
193.06573	3.1
205.06470	1.3
209.06093	2.7
209.11847	4.3
219.04469	1.5
220.05257	1.4
221.06087	10.9
222.06766	3.0
223.07564	2.6
224.04756	2.4
232.05260	5.2
233.06023	4.4
237.05589	2.7
239.07132	17.5
247.04091	1.9
248.04871	4.9
249.05521	10.1
250.06331	13.3
251.03874	1.2
251.06966	9.5
260.04678	6.3
261.05487	13.4
262.06226	1.6
275.03528	2.3
276.04062	8.2
277.04996	13.1
278.05823	16.5
279.06558	20.8
280.07150	1.6
289.05151	9.2
290.05795	2.7
304.03720	8.2
305.04510	9.5
306.05301	20.9
307.06097	24.5
307.19131	2.4
308.06482	3.5
319.06180	2.8
321.04044	10.6
333.03961	1.3
334.04828	3.3
335.05569	100.0
336.06107	11.6
349.03513	20.5
350.03778	2.7
364.05878	37.3
365.06161	7.2
379.04498	54.8
379.08368	21.6
380.04480	6.4
380.08978	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12098	0.4
55.88270	0.4
59.01374	1.3
67.01886	1.2
69.03461	1.1
69.55117	1.7
97.02935	0.5
98.21928	0.8
125.02419	0.4
172.76955	0.4
184.05235	0.4
191.05177	0.6
203.43518	0.4
204.05826	1.5
205.06541	1.1
218.07317	0.4
219.04591	2.4
220.05249	1.2
221.06018	2.6
231.04413	0.5
232.05208	1.2
233.06030	3.4
234.06779	1.6
235.04012	3.9
235.07492	0.5
237.05466	0.6
238.02710	0.6
247.04063	1.4
247.07654	0.8
248.04762	15.8
249.05519	10.3
250.06050	1.1
251.03476	4.0
253.05087	1.8
254.05695	0.5
260.04733	0.8
261.05499	2.1
262.06250	1.4
263.03473	7.6
263.07074	1.5
264.04245	1.9
265.05038	1.7
266.05588	0.5
275.03476	4.6
276.04221	7.5
277.05026	15.2
278.05664	4.2
279.02985	1.6
279.06238	0.8
281.04727	0.6
287.03604	0.5
289.05045	1.3
290.05682	0.8
291.03006	5.5
291.06610	7.3
292.03769	9.7
292.07330	3.6
293.04465	4.7
293.08160	1.3
294.05298	1.1
295.02417	0.7
303.02963	0.5
304.03729	1.8
305.04565	5.8
306.05350	5.2
307.02783	0.6
307.06137	2.7
308.06775	1.0
309.04044	1.9
317.04300	0.5
318.05222	1.0
319.02417	1.4
319.06171	2.1
320.03217	6.7
320.06888	2.2
321.03952	9.5
321.07697	2.9
322.04538	0.9
322.08203	0.6
323.01840	0.5
333.04010	1.3
334.04745	2.1
335.05585	24.9
336.06165	6.4
337.03540	1.1
341.19678	0.9
343.21219	1.7
348.02664	0.8
349.03525	7.2
349.07336	1.2
350.03842	1.0
350.07883	13.9
351.04449	0.9
351.08667	13.7
352.08914	1.4
363.05103	4.6
364.05841	3.0
365.06351	0.7
379.08200	100.0
380.08533	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21721	0.3
53.39748	0.3
53.92709	0.4
57.59409	0.3
59.01372	0.7
59.48274	0.4
61.98834	2.6
66.42942	0.3
70.98440	0.6
71.01363	0.9
71.05031	0.3
72.70742	0.3
83.05008	0.5
85.02920	0.7
96.95996	0.6
98.74220	0.3
99.04495	0.5
113.02457	0.4
125.02453	0.7
141.02063	0.3
169.16599	0.3
191.05070	0.3
193.06560	0.4
205.06642	0.4
219.04500	1.3
221.06046	2.2
231.04613	0.5
232.05197	0.6
233.06065	0.7
234.06880	0.7
239.06958	0.6
245.06226	0.4
247.03986	3.9
248.04713	5.6
248.08501	0.6
249.05536	8.8
249.09178	0.7
250.05923	0.9
253.14439	0.8
258.03220	0.4
260.04694	0.8
261.05606	2.2
262.06290	1.2
263.06955	0.5
273.05548	1.1
275.03461	4.2
275.06381	0.6
276.04282	7.4
277.05038	77.3
278.05359	7.8
279.06644	0.9
289.04974	4.7
290.05807	4.2
291.06586	4.6
292.07333	1.3
293.04507	0.5
304.03738	5.7
304.07404	1.4
305.04535	100.0
306.04883	10.6
306.08185	0.6
307.09741	0.4
319.06085	9.0
320.06857	41.0
321.03885	0.9
321.07190	4.6
334.08463	0.8
335.09225	63.5
336.09558	7.0
337.07089	0.5
341.19696	0.8
343.21313	0.4
349.03574	1.3
352.05844	5.3
364.05957	3.0
365.06299	0.5
366.07385	1.4
379.08206	45.0
380.08600	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
85.11656	0.8
98.21949	2.1
124.92738	0.7
128.23549	0.7
131.99925	0.8
153.56721	0.9
217.95280	0.8
219.04565	4.0
230.03470	0.9
232.05412	2.0
233.06096	2.6
234.06828	1.9
245.06023	0.9
246.06503	0.9
247.04008	11.0
247.07651	2.0
248.04759	3.8
248.08405	6.2
249.05524	3.3
249.09088	5.5
258.03146	2.0
260.04739	6.8
261.05548	12.4
262.06311	3.6
263.07141	2.3
273.05560	6.0
274.02936	0.9
274.06155	2.1
275.03528	18.7
275.06619	1.9
276.04263	20.5
276.07434	1.5
277.04913	7.5
277.08636	2.6
285.14377	0.8
288.04123	1.1
289.05081	31.0
290.05817	26.8
291.06506	13.4
292.07349	3.1
293.04807	0.8
293.08005	2.0
302.05942	1.0
304.03772	36.2
304.07410	11.2
305.04449	14.7
305.08157	9.6
306.05304	1.0
306.08768	2.6
308.07135	1.5
319.06110	57.6
320.06757	12.3
334.08490	9.2
335.09222	3.2
336.06366	1.2
364.05865	11.5
365.06039	1.5
366.07394	13.0
367.07681	1.3
379.08218	100.0
380.08536	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0819
Annotation	Phyllanthusmin A
Peak:m/z	Relative Intensity
53.12098	0.4
55.88270	0.4
59.01374	1.3
67.01886	1.2
69.03461	1.1
69.55117	1.7
97.02935	0.5
98.21928	0.8
125.02419	0.4
172.76955	0.4
184.05235	0.4
191.05177	0.6
203.43518	0.4
204.05826	1.5
205.06541	1.1
218.07317	0.4
219.04591	2.4
220.05249	1.2
221.06018	2.6
231.04413	0.5
232.05208	1.2
233.06030	3.4
234.06779	1.6
235.04012	3.9
235.07492	0.5
237.05466	0.6
238.02710	0.6
247.04063	1.4
247.07654	0.8
248.04762	15.8
249.05519	10.3
250.06050	1.1
251.03476	4.0
253.05087	1.8
254.05695	0.5
260.04733	0.8
261.05499	2.1
262.06250	1.4
263.03473	7.6
263.07074	1.5
264.04245	1.9
265.05038	1.7
266.05588	0.5
275.03476	4.6
276.04221	7.5
277.05026	15.2
278.05664	4.2
279.02985	1.6
279.06238	0.8
281.04727	0.6
287.03604	0.5
289.05045	1.3
290.05682	0.8
291.03006	5.5
291.06610	7.3
292.03769	9.7
292.07330	3.6
293.04465	4.7
293.08160	1.3
294.05298	1.1
295.02417	0.7
303.02963	0.5
304.03729	1.8
305.04565	5.8
306.05350	5.2
307.02783	0.6
307.06137	2.7
308.06775	1.0
309.04044	1.9
317.04300	0.5
318.05222	1.0
319.02417	1.4
319.06171	2.1
320.03217	6.7
320.06888	2.2
321.03952	9.5
321.07697	2.9
322.04538	0.9
322.08203	0.6
323.01840	0.5
333.04010	1.3
334.04745	2.1
335.05585	24.9
336.06165	6.4
337.03540	1.1
341.19678	0.9
343.21219	1.7
348.02664	0.8
349.03525	7.2
349.07336	1.2
350.03842	1.0
350.07883	13.9
351.04449	0.9
351.08667	13.7
352.08914	1.4
363.05103	4.6
364.05841	3.0
365.06351	0.7
379.08200	100.0
380.08533	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49264	0.7
74.77236	0.6
84.71135	0.7
105.15554	0.7
186.09610	0.7
205.81624	0.7
219.04517	3.1
230.00565	0.8
231.04507	1.1
232.05284	2.4
233.06137	1.4
234.06801	1.1
245.06041	1.7
247.04056	8.9
247.07721	1.8
248.04639	3.1
248.08307	7.0
249.05525	2.6
249.09200	5.8
258.03201	3.1
260.04724	7.2
261.05597	10.2
262.06342	4.1
263.07095	2.4
273.05585	7.4
274.06049	1.5
275.03473	20.9
275.06976	2.6
276.04263	16.2
276.07660	2.0
277.04990	6.6
277.08698	2.1
288.04196	1.3
289.05051	30.8
290.05783	30.0
291.06586	13.9
292.07303	4.2
293.07965	1.2
302.05914	1.4
303.06461	1.1
304.03766	35.5
304.07407	12.4
305.04446	13.5
305.08130	9.7
306.05194	1.4
306.08728	2.3
308.06857	2.0
319.06104	62.1
320.06680	14.1
321.07480	0.8
334.08463	9.8
335.09180	4.4
336.06506	1.8
338.07990	1.6
342.65161	0.7
349.03174	0.7
364.05875	12.7
365.06171	1.5
366.07431	12.2
367.07660	1.1
379.08209	100.0
380.08551	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.6
69.36791	2.5
69.37182	2.4
87.00890	1.7
89.97762	1.0
91.40807	1.0
93.27473	0.9
96.56200	1.1
96.95988	1.0
121.84148	1.1
154.05099	1.1
193.06601	1.2
203.95854	1.0
204.05809	1.2
209.11868	1.2
219.04442	1.7
221.06126	4.7
231.04465	1.5
233.06018	5.1
235.03986	2.1
235.07640	2.4
237.05539	2.0
245.05983	1.2
247.03938	3.4
248.04810	8.6
249.05550	8.0
250.06229	1.7
259.04074	1.2
260.04898	1.2
261.05566	12.2
262.06284	5.1
263.03690	1.1
263.07159	4.0
264.04132	1.0
264.07843	3.4
265.05075	2.4
273.05597	1.5
274.06372	1.3
275.03558	7.6
275.07028	2.7
276.04202	21.2
277.04974	10.6
277.07837	1.7
278.05634	3.1
279.06659	2.8
287.03326	1.1
289.05032	19.6
290.05774	16.7
290.08780	1.8
291.06479	6.2
292.03967	2.4
292.07373	3.7
293.04535	8.4
295.05994	1.0
303.03125	1.7
303.06668	1.9
304.03769	18.8
304.07144	2.0
305.04532	20.0
305.08188	6.5
306.05115	2.6
306.08627	2.1
307.06161	4.0
307.09567	0.9
318.05222	2.2
319.06085	11.5
320.03342	1.5
320.06784	3.2
321.04001	46.8
322.04410	4.7
323.09375	1.6
331.48578	1.2
333.07660	1.8
334.08530	1.3
335.05594	15.1
335.09354	3.9
336.05978	2.8
349.03497	58.6
350.03961	6.0
351.05237	1.6
363.05124	13.2
364.05856	100.0
365.06192	12.7
379.08264	78.1
380.08643	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62852	1.4
55.42477	1.4
58.70200	1.6
65.17269	1.7
69.84367	3.0
69.84750	3.5
144.90581	1.7
167.81709	1.5
219.04520	5.8
232.05270	4.3
233.06104	2.5
234.06726	2.3
245.06062	2.5
247.04001	16.1
247.07726	2.2
248.04701	6.5
248.08310	7.1
249.05545	4.3
249.09262	6.7
258.03171	4.6
260.04782	7.3
261.05579	17.3
262.06314	6.4
263.07108	3.7
273.05560	11.9
274.06198	2.9
274.49689	1.5
275.03500	27.4
275.06726	3.0
276.04282	23.2
276.07498	2.9
277.05023	8.3
277.08612	1.7
288.04300	4.3
289.05103	42.6
290.05835	30.2
291.06613	15.1
292.07306	3.5
302.05746	1.9
304.03781	52.7
304.07391	14.1
305.04480	20.2
305.08188	9.2
306.05249	1.9
306.08798	2.6
319.06104	77.1
320.06586	14.4
334.08472	8.4
335.09055	3.7
364.05841	16.8
366.07401	9.8
379.08246	100.0
380.08429	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24688	0.4
67.01868	1.7
69.03474	0.9
69.62406	2.0
140.14838	0.5
161.20645	0.4
163.19211	0.5
191.05107	1.0
193.06726	0.7
204.05811	1.3
205.06464	1.3
219.04503	3.0
220.05177	1.1
221.06129	2.6
222.06674	0.4
223.04053	0.6
232.05261	1.7
233.06049	2.8
234.06804	2.5
235.03986	4.8
235.07510	0.5
236.04509	0.9
245.06111	0.5
247.04051	1.0
247.65822	0.4
248.04765	16.5
249.05493	12.9
250.06032	1.3
251.03426	2.7
252.03900	0.7
253.05164	1.5
260.04803	1.2
261.05560	1.5
262.06320	1.9
263.03506	8.6
263.07028	2.0
264.04007	2.3
265.04971	1.9
266.05618	0.6
275.03491	4.2
276.04248	7.5
277.05035	14.7
278.05618	4.5
279.03009	1.3
279.06427	0.6
288.04190	0.4
289.05109	0.7
290.05762	1.4
291.03024	7.2
291.06619	7.8
292.03738	13.1
292.07336	4.5
293.04523	6.2
293.08029	1.7
294.05124	1.2
303.03125	0.7
304.03699	1.1
305.04544	6.1
306.05258	8.1
307.06049	2.3
308.06891	1.4
309.04016	1.5
316.15598	0.4
317.04431	1.2
318.05142	0.7
319.02515	2.5
319.06168	1.8
320.03198	6.7
320.06851	2.2
321.03979	7.4
321.07693	3.4
322.04480	1.1
322.07941	0.8
323.02020	0.6
333.03973	0.9
334.04816	4.6
335.05588	24.8
336.06195	6.8
337.03473	1.1
349.03479	6.2
349.07156	0.9
350.03745	0.9
350.07932	14.9
351.08679	15.1
352.09177	1.0
363.05185	3.9
364.05695	2.7
365.07022	0.7
379.08203	100.0
380.08563	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18547	0.3
54.88583	0.4
79.81454	0.3
87.90892	0.3
96.93789	0.3
98.22660	1.1
138.84248	0.4
142.18697	0.3
162.78610	0.3
163.13559	0.3
191.05040	0.8
192.83742	0.4
202.04347	0.4
204.05704	0.8
206.07338	0.8
217.06601	0.4
219.04512	4.8
220.05104	0.8
221.06071	0.7
230.03787	0.5
231.04433	0.8
232.05183	1.8
233.06013	3.1
234.06764	2.2
235.07275	0.5
245.06085	1.6
246.06758	0.9
247.03961	12.0
247.07672	1.5
248.04677	4.2
248.08418	6.1
249.05565	3.2
249.09152	4.8
250.06052	0.3
250.09471	0.5
253.05031	0.5
258.03171	3.2
260.04730	7.3
261.05521	11.4
262.06244	4.4
263.06982	2.4
264.07727	0.4
273.05533	7.1
273.08279	0.6
274.03125	0.5
274.06177	2.1
275.03506	20.2
275.06985	1.9
276.04233	20.0
276.07700	1.9
277.04959	7.0
277.08636	2.2
278.05402	0.5
288.04248	1.8
289.05048	32.3
290.05786	26.7
291.06543	13.0
292.07205	3.9
293.05032	0.4
293.08075	1.2
301.05322	0.4
302.05847	1.3
303.06577	0.5
304.03757	40.5
304.07382	10.8
305.04428	14.4
305.08142	9.1
306.04953	1.2
306.08820	2.1
307.09500	0.4
308.06885	1.6
319.06088	58.2
320.06677	11.8
321.03891	0.5
321.07355	1.0
334.04395	0.4
334.08420	9.9
335.09018	4.2
336.06210	1.8
338.07877	1.4
364.05859	12.7
365.06061	1.6
366.07407	12.4
367.07794	1.0
379.08200	100.0
380.08557	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78857	0.6
59.01374	2.7
60.99303	1.0
69.51553	0.8
85.68700	0.6
87.83629	0.6
88.77061	0.6
93.03460	0.9
96.96010	39.1
107.04963	0.7
121.02969	2.2
148.44276	0.6
171.10287	3.1
202.04115	3.2
204.05800	1.9
217.06612	2.2
219.04539	3.9
220.05353	0.8
221.30270	0.6
227.12946	0.8
230.03712	21.1
231.04160	2.4
232.05269	6.3
234.06731	0.9
235.04118	0.7
235.07561	1.4
244.05197	1.1
245.06067	32.2
246.06598	5.1
247.04021	7.1
247.07623	13.6
248.04765	3.7
248.08260	2.4
249.09044	1.5
257.06070	1.2
258.03204	26.9
259.03564	2.6
260.04773	24.1
261.05444	4.8
262.06335	3.0
263.03488	4.5
263.07034	1.0
273.05573	100.0
274.02826	2.3
274.06192	28.3
275.03625	3.1
275.07101	29.3
276.04239	8.5
276.07590	2.8
277.04990	2.9
277.08688	6.9
278.05801	1.4
288.04279	7.5
289.05026	9.0
290.05814	5.5
291.03226	1.4
291.06564	10.2
292.07117	1.5
293.08170	10.9
294.08337	1.6
301.05103	1.9
302.05811	2.6
303.06619	17.9
304.03757	5.3
304.07037	2.0
305.04523	2.0
305.08157	18.2
306.05261	0.7
306.08539	1.9
307.09589	0.7
319.06119	11.3
320.06381	1.6
320.28601	0.6
321.07574	2.2
335.09192	1.4
379.04153	1.0
379.08224	3.9
379.21582	13.4
380.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53457	0.3
61.52609	0.2
70.21893	0.3
70.22226	0.4
96.95979	0.3
97.73097	0.3
98.21995	0.5
112.69732	0.2
118.08643	0.3
190.44128	0.2
193.06548	0.7
204.29285	0.2
219.04454	0.5
220.05214	0.7
221.06084	1.9
232.05174	0.5
233.05986	0.7
235.03963	0.8
235.07689	0.6
236.04694	0.5
237.05542	0.6
239.06981	0.4
247.04025	1.0
248.04761	3.1
249.05522	3.5
250.06061	0.4
261.05484	1.8
262.06268	0.9
263.03619	0.4
263.07095	1.4
264.04260	0.7
264.07544	0.3
265.04962	1.0
275.03488	3.1
276.04263	6.5
277.04996	3.9
279.06625	1.0
289.05127	1.3
290.05850	1.4
291.03177	0.4
291.06586	1.7
292.03784	1.4
293.04568	5.9
294.04803	0.7
295.06396	0.3
303.02991	0.7
304.03802	5.5
305.04547	9.4
306.05243	1.9
307.06119	4.9
308.06406	0.4
317.04498	0.6
319.06107	1.9
321.04022	33.3
322.04443	2.7
322.07965	0.5
323.05701	0.3
333.04025	1.2
334.04916	1.3
335.05582	17.6
336.06049	3.2
345.03955	0.5
349.03510	41.3
350.03799	4.4
363.05093	20.8
364.05817	18.5
365.06207	1.2
379.08215	100.0
380.08554	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1581
Annotation	DMH-1
Peak:m/z	Relative Intensity
69.80953	0.6
69.81277	1.1
71.46516	0.5
83.93089	0.6
84.93874	7.1
89.83407	0.5
98.21923	0.9
99.92583	63.7
100.92612	3.3
100.93353	18.9
101.93372	1.4
110.38159	0.5
115.91444	0.4
115.92076	19.3
116.92857	100.0
117.92861	5.3
117.93624	0.6
132.21068	0.5
155.83688	0.5
211.25439	0.6
242.65672	0.5
263.50549	0.6
317.15808	1.1
322.08917	0.6
335.16794	2.0
361.14792	3.0
367.15948	0.9
375.12527	3.2
376.13315	0.7
379.15796	95.0
380.15976	14.4
393.13818	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03453	1.6
58.00603	1.3
59.01378	100.0
60.01719	1.2
61.98825	3.0
69.03465	2.0
69.47993	2.0
69.48383	1.6
71.01382	52.8
72.01734	0.9
72.99297	1.8
73.02949	12.4
83.01393	4.2
83.05030	2.1
84.72316	0.7
85.02943	14.9
85.03456	0.9
87.00881	3.0
89.02443	63.6
90.02795	1.0
91.05903	0.7
95.01405	2.6
96.96048	1.1
97.02981	1.5
99.00873	8.5
101.02441	35.9
107.03510	0.8
110.07256	1.4
113.02451	20.5
115.04021	0.9
119.03500	19.4
125.02420	2.8
127.04017	0.8
131.03506	6.9
135.04555	1.0
137.09712	4.9
139.07652	0.9
141.98343	0.8
143.03510	3.4
146.06169	2.4
147.06648	0.8
149.04553	11.2
155.03542	1.7
155.10796	16.6
156.11143	1.0
161.04555	8.2
179.05597	8.4
179.07025	1.2
181.08734	2.1
185.45267	0.8
191.05641	2.9
199.09776	23.7
200.10211	1.7
201.11287	1.0
217.10826	2.9
233.06717	2.1
247.11868	14.6
247.14194	1.3
273.49100	0.7
319.14185	0.8
335.14264	1.9
379.16110	90.8
380.16519	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01893	1.5
57.03456	3.1
58.00611	1.3
59.01379	100.0
60.01716	1.5
61.98830	1.7
71.01383	56.2
73.02943	27.2
83.01401	4.1
85.02955	18.4
87.00899	1.8
89.02444	63.9
95.01369	5.1
99.00882	85.5
101.02445	29.5
101.03088	1.7
103.04035	2.5
113.02449	35.4
119.03510	15.1
130.08684	1.1
131.03508	10.7
143.03539	3.8
147.06631	29.7
149.04547	33.0
150.04898	1.7
161.04561	19.9
162.04808	1.2
166.05939	1.4
179.04327	1.3
179.05568	6.3
191.05609	34.2
192.05962	1.4
232.06154	2.6
233.06697	5.3
244.31056	1.1
247.09634	1.9
247.11795	7.1
335.14200	2.1
379.16199	39.1
379.20682	2.0
380.16876	2.5
383.49435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20542	0.5
57.03433	0.6
59.01384	31.3
69.03429	0.7
69.11443	1.9
69.11834	1.0
71.01014	1.1
71.01381	15.7
73.02936	1.6
75.00845	0.8
81.92948	0.5
83.01379	1.7
85.02968	3.0
85.63642	0.6
87.00859	1.8
88.99452	0.6
89.02448	11.8
92.05083	0.5
93.03457	0.6
95.01363	1.3
96.95997	0.8
101.01866	0.8
101.02450	9.0
113.02460	4.7
119.03502	3.9
125.09648	0.7
127.11338	1.0
128.03513	1.3
136.04010	2.4
137.09691	2.2
139.49222	0.6
147.06656	3.3
155.10785	32.4
156.11072	1.7
161.04565	0.7
171.10274	19.6
172.10612	1.2
173.11783	2.1
185.11755	0.8
199.09770	8.8
199.13379	2.3
200.10143	0.9
201.11337	2.7
213.11319	7.1
217.10818	45.3
218.11215	3.1
241.10403	0.9
258.84940	0.6
259.11899	5.9
270.06302	1.0
284.35944	0.6
285.08804	4.2
317.11414	1.1
319.13959	1.3
335.12012	0.6
361.14932	0.7
379.16000	100.0
379.19797	6.9
380.16336	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	90.0
66.82933	23.8
71.43774	28.5
74.56848	32.2
90.35917	26.2
93.03461	31.3
130.95944	28.2
233.05978	29.8
270.33218	35.3
289.05365	30.8
293.21490	39.5
311.22324	100.0
335.05563	53.6
349.03537	58.5
364.06061	32.3
379.04468	85.9
379.08298	94.8
379.21170	66.1
380.04526	34.2
398.68826	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
59.01378	2.1
61.98820	1.9
71.01382	0.9
71.27309	0.4
73.02958	0.9
85.02950	15.5
89.02444	0.3
92.05068	0.5
92.22186	0.3
101.02437	6.1
101.06053	1.6
103.04005	8.6
104.04299	0.3
106.06644	0.6
116.05082	0.4
120.04561	0.3
121.07403	0.3
132.04579	0.8
138.96738	0.3
142.06677	2.3
144.04616	0.4
144.08171	0.4
147.06633	100.0
148.06963	3.3
158.06094	0.5
160.07683	3.3
170.06128	1.1
188.07173	1.8
194.67035	0.3
204.06575	1.7
232.06139	8.2
233.06407	0.6
380.13248	3.3
380.16855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
59.01369	1.6
61.98797	0.4
69.40352	1.9
69.90582	0.3
71.01373	1.0
73.02947	1.5
73.52924	0.3
79.16477	0.3
79.80115	0.3
83.01392	0.3
85.02451	0.8
85.02951	14.3
92.05078	0.6
94.45892	0.4
101.02435	6.4
101.06068	2.0
103.04011	8.7
106.06602	0.5
121.02892	0.4
130.08711	0.7
132.04575	0.6
142.06609	1.4
144.04552	0.6
144.08110	0.5
147.06633	100.0
148.06976	3.7
158.06177	0.5
160.07721	3.0
170.06149	1.0
188.07166	1.0
204.06670	1.4
232.06149	7.1
233.06422	0.5
235.23695	0.4
236.19914	0.5
337.19995	2.0
370.99020	0.3
380.13144	2.9
381.19214	5.5
402.57483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01379	2.7
60.01683	0.3
61.69093	0.2
61.98813	0.6
69.49341	0.9
71.01377	1.6
73.02948	1.1
75.00887	0.5
83.01381	0.2
85.02949	12.9
86.03309	0.2
87.00896	0.3
89.02435	1.3
89.96965	0.2
90.02773	0.3
90.20638	0.2
90.23018	0.2
92.05100	0.4
96.96014	0.5
98.21932	0.5
99.00866	0.3
101.02441	6.5
101.06078	2.2
102.02782	0.3
103.04011	8.2
104.04350	0.4
106.06660	0.6
113.02434	0.5
113.03572	0.4
119.03516	0.3
120.03799	0.3
120.04575	0.3
130.08725	0.4
132.04561	0.6
138.02019	0.2
142.06633	1.7
144.04518	0.4
144.08244	0.3
147.06631	100.0
148.06950	3.1
153.01898	0.2
158.06163	0.3
160.07678	2.4
161.04625	0.4
170.06163	0.8
177.01897	0.4
179.05626	0.4
188.07144	1.8
204.06651	1.3
204.98140	0.2
232.06134	6.0
233.06497	0.5
247.11794	0.4
248.12247	0.3
287.38965	0.2
298.13971	0.3
300.12421	0.5
300.34119	0.2
362.15451	0.4
380.08514	0.4
380.13461	4.4
380.18018	0.7
381.13544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
59.01384	25.7
61.98827	6.0
62.92143	1.1
69.82585	2.1
71.01383	32.6
71.05017	7.0
73.02927	1.5
73.91001	1.2
74.12350	1.1
80.91668	1.4
83.01396	1.7
85.02953	4.2
88.04060	3.8
89.02437	9.1
99.04517	2.7
101.02450	10.3
113.02467	4.7
119.03515	4.9
128.07144	2.4
131.73174	1.1
137.02367	1.6
146.08238	56.7
161.04610	1.5
217.00302	2.3
263.11484	1.7
308.13455	4.7
321.09171	1.1
331.15305	1.4
357.08194	1.1
362.14844	2.3
380.15646	100.0
381.16019	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46688	0.4
57.03437	0.4
59.01366	0.4
61.98830	100.0
66.18894	0.4
71.44304	0.6
164.24194	0.4
172.92697	0.4
191.27219	0.4
199.13510	0.7
239.16614	0.9
245.90828	0.4
251.20360	0.4
277.18127	5.6
277.21320	0.7
279.19760	1.7
295.19254	7.4
295.22836	2.8
296.23154	1.9
298.23694	0.6
320.21878	0.5
363.25397	2.0
380.20605	7.7
380.28479	0.9
381.20847	0.8
381.26224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	18.0
57.23585	14.4
59.01374	74.3
61.98820	54.7
70.96901	19.0
71.77150	14.2
73.02982	15.6
84.44447	12.5
85.02960	19.3
87.00887	36.2
96.96017	100.0
100.68143	13.9
101.06094	35.7
115.03996	30.5
134.03729	36.5
135.04471	18.2
136.81934	15.6
144.03026	61.0
178.02756	41.8
197.95387	14.7
232.74123	15.4
263.16605	19.2
276.16055	14.4
279.09659	19.2
285.03693	17.2
293.10196	27.4
307.19046	27.2
330.83438	14.0
337.20450	20.3
343.21140	37.2
345.22757	24.4
356.75397	17.9
359.04767	14.3
381.15347	36.3
381.19507	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.11521	0.8
68.87423	0.9
69.16641	5.8
71.52008	0.9
87.54520	1.0
122.59068	0.9
154.08371	1.0
171.75031	1.1
185.00586	0.9
199.13258	1.4
217.00275	3.1
237.80255	1.0
300.60214	1.0
311.16901	1.3
320.25952	1.2
348.62286	1.0
351.56311	1.2
380.07886	1.1
380.28967	1.2
381.26465	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0614
Annotation	Nogalonate
Peak:m/z	Relative Intensity
59.01381	4.7
69.76652	2.4
86.53551	0.9
116.97270	1.4
121.02885	0.9
142.83128	1.0
151.11252	1.2
165.01941	1.2
171.10269	2.2
185.02367	1.6
187.04002	2.4
193.06561	2.7
195.04431	1.5
204.05754	1.4
205.06551	1.0
208.05374	1.2
209.06062	3.6
210.47501	0.8
215.03502	2.7
217.00240	2.0
219.04491	7.5
220.05188	5.2
221.06053	8.0
222.06476	1.2
223.04065	1.2
227.12921	1.2
231.04495	1.1
232.05278	3.9
233.05965	3.4
235.03929	2.8
235.07553	1.2
236.04706	1.1
237.05537	3.7
245.06102	1.1
247.04027	7.4
248.04768	41.1
249.05536	40.7
250.05940	4.9
251.07156	2.6
252.41208	0.9
260.04843	2.0
261.05539	15.0
262.06097	2.4
263.07269	1.7
265.04944	1.7
274.44907	0.9
275.03546	3.2
276.04361	5.0
276.06891	0.8
277.05057	20.4
278.05661	8.5
279.06616	13.4
289.05045	7.4
289.18198	1.8
290.05725	1.7
291.06610	2.1
305.04562	2.8
306.05389	1.3
307.06152	26.6
307.09525	1.5
307.18933	1.4
308.06638	2.9
309.07526	2.1
319.06116	2.7
321.07687	1.4
335.05624	1.7
337.07159	31.7
337.11230	1.7
338.07510	3.2
363.05054	2.1
366.07187	1.7
381.06131	100.0
382.06506	12.6
392.14224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	9.8
59.01375	12.3
67.71334	3.0
68.15836	3.0
68.99816	100.0
69.28307	13.4
70.18320	3.0
71.01383	13.2
73.02960	3.4
83.05010	3.9
85.02933	6.8
87.00872	3.3
89.03973	10.0
91.01917	11.6
93.03473	7.6
95.41830	3.4
97.06571	3.5
101.74770	3.1
101.83619	2.8
107.05023	10.4
109.02982	4.7
113.02469	9.1
117.03481	34.9
119.01392	43.6
119.05033	22.7
121.02953	28.2
132.02165	5.8
133.02975	4.7
134.03745	39.1
135.04546	19.1
137.02431	24.5
145.02960	50.7
146.03679	5.8
147.04533	10.6
149.02440	27.9
158.03763	4.3
159.04524	10.3
161.02455	8.7
163.04021	55.1
173.02472	8.7
173.06096	23.6
174.03154	7.5
175.04034	11.6
177.01834	3.8
178.02686	4.9
179.03467	5.2
181.14215	3.0
182.92130	3.1
186.03198	6.0
193.01413	5.0
196.65811	3.0
197.11925	3.5
201.05603	11.1
202.02705	25.2
203.03297	3.4
204.05865	4.7
217.06616	4.5
221.06000	4.6
225.11327	5.4
231.02972	10.9
232.05241	5.3
233.06123	3.8
235.07669	8.2
237.05455	3.5
247.07492	4.1
248.04749	4.6
249.05544	13.1
250.06293	10.3
251.07092	9.1
261.05560	12.4
262.06314	3.6
263.07129	4.2
265.05020	8.2
267.06665	18.5
277.04965	11.9
277.08682	9.7
278.05835	21.5
278.08853	4.2
279.03256	6.5
279.06528	14.1
291.06635	20.4
292.03882	4.6
292.07364	12.6
293.05051	5.4
293.07990	24.8
294.08548	4.3
295.06146	28.1
295.09763	18.6
307.06094	39.5
307.09769	65.8
308.06644	9.8
308.10062	7.2
309.04379	4.1
309.07660	7.4
321.07303	5.2
322.04678	8.0
322.08459	30.7
323.08731	4.3
335.05649	4.1
337.07040	13.1
337.10822	62.0
343.21204	3.5
363.18097	3.3
381.05557	6.8
381.10156	19.9
381.19211	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02066	10.4
55.62665	13.8
59.01388	100.0
61.98848	71.9
70.78487	12.6
71.01385	20.8
80.17974	12.5
80.37617	11.8
89.02409	12.4
93.03456	21.2
114.05590	12.0
115.74762	13.5
134.04688	16.7
135.10880	12.3
137.02449	52.7
150.51180	11.5
151.02522	22.7
175.02568	18.4
177.00447	54.9
193.03551	15.0
201.02597	58.5
217.00301	31.4
219.01469	79.3
301.58237	12.7
303.87088	11.9
338.99228	13.2
381.09698	39.2
381.17859	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84938	0.5
59.22318	0.5
64.75787	0.5
69.37793	1.9
93.51262	0.5
180.05846	0.6
195.04738	0.5
196.05269	1.1
203.08633	0.6
208.05292	2.4
219.04369	0.5
221.06131	1.7
222.06813	1.0
223.07657	1.3
229.06476	0.9
230.07396	2.0
231.08168	1.5
232.05290	1.3
233.06053	5.2
234.06660	1.8
235.04037	1.0
235.07608	0.8
236.04726	3.1
237.05528	1.1
245.06001	1.3
246.06839	2.1
247.03947	0.7
247.07602	7.7
248.04800	1.9
248.07980	0.9
249.02931	1.0
249.05544	20.1
250.06288	16.7
251.03493	1.0
251.07108	4.8
252.04269	1.5
252.07677	1.0
258.06662	0.9
259.07602	0.8
260.04706	0.5
260.08337	0.8
261.05524	4.6
262.03650	0.7
262.06305	5.6
263.03540	2.4
263.06964	3.9
264.01428	0.7
264.04239	13.3
265.04773	1.3
265.08725	0.9
267.10229	1.2
275.07126	3.2
276.04501	0.7
276.07892	2.5
277.05060	10.9
277.08609	1.7
278.05814	18.9
279.03067	1.8
279.06522	12.7
280.03787	3.4
280.06686	1.0
281.04214	0.9
289.04929	0.7
290.02237	1.2
290.05756	0.8
291.02985	5.2
291.06616	4.9
291.09854	1.1
292.03812	7.9
292.07416	26.5
293.08163	53.4
294.08878	23.9
295.09305	2.7
304.07462	0.9
305.04626	0.7
305.07764	0.9
306.05560	0.9
306.08951	2.1
307.02451	4.0
307.06146	7.7
307.09741	39.8
308.03275	10.0
308.06369	0.8
308.10132	5.1
309.03775	1.0
309.11328	11.5
310.11551	1.4
318.01550	1.7
319.02341	1.4
320.03177	2.4
321.07590	1.4
322.08304	4.6
323.05548	1.3
333.04141	2.8
335.02014	1.8
336.02725	15.1
337.03320	1.3
337.06812	1.2
337.10760	14.1
338.11176	1.5
339.29980	0.6
342.68997	0.6
351.05084	45.5
352.05505	4.7
365.06268	0.9
366.07422	47.4
367.07678	4.6
381.09772	100.0
382.10153	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11576	2.7
59.01379	7.3
61.98819	3.8
69.97449	2.8
70.45136	5.4
81.31255	3.3
91.01904	19.9
96.96007	9.8
98.21957	3.6
109.02965	9.3
116.92810	4.3
119.01397	51.9
121.02951	24.7
137.02477	24.0
149.02458	30.1
157.06577	4.7
158.03699	3.7
173.06070	34.6
185.06134	5.1
186.03191	15.4
191.05099	10.1
193.01434	6.0
201.05574	34.1
217.00233	3.7
217.06572	6.8
218.27521	3.2
219.04465	46.8
219.08032	5.1
220.04857	5.7
221.34854	3.2
223.04141	4.6
224.04790	4.8
230.03670	6.4
232.05307	7.7
233.06082	5.5
234.06822	33.2
235.07530	12.5
245.06175	16.9
247.03972	11.2
247.07579	12.1
248.02350	3.8
248.04686	19.1
249.05539	7.4
250.06285	5.0
261.05515	6.0
261.11023	4.8
262.06375	30.2
263.06973	6.8
276.04364	22.4
277.05112	6.6
277.08691	25.8
278.05975	7.7
278.08859	3.6
279.06454	7.6
281.04706	7.2
289.18008	3.3
291.03311	5.2
291.06625	89.9
292.04080	3.2
292.07092	13.7
293.08206	14.9
295.09653	4.5
307.06097	13.4
307.09750	36.8
308.10202	4.1
321.07773	3.7
322.08466	34.1
323.08652	4.2
337.07294	3.5
337.10797	100.0
338.11203	9.5
381.05972	3.7
381.09805	64.2
382.09973	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80773	0.7
52.00042	0.7
57.43033	0.7
64.63022	0.7
69.36950	2.6
72.79218	0.8
98.22691	0.7
208.05156	1.0
236.04822	3.6
237.05124	0.9
247.03772	1.0
261.05450	1.1
263.01129	0.8
263.03467	8.4
264.04230	17.1
265.04456	1.6
275.03317	2.6
275.05975	0.9
276.04160	3.1
277.04794	2.6
279.06589	4.0
288.04227	1.3
289.04886	2.2
290.05753	6.1
291.02982	16.9
291.06107	1.7
292.03763	81.0
293.04102	7.4
305.04694	1.7
305.08115	6.7
306.05325	27.3
306.08475	1.0
307.06082	54.6
308.03687	0.6
308.06476	5.4
321.07639	32.2
322.08157	5.4
338.80420	0.7
351.05054	5.6
352.63278	0.8
354.07675	0.9
366.07397	100.0
367.07724	9.6
368.07965	0.6
381.09744	52.2
382.09988	5.6
403.45416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0982
Annotation	Denthyrsin
Peak:m/z	Relative Intensity
57.03146	1.3
59.01383	9.4
61.98804	2.6
67.22115	1.3
69.22150	7.1
79.95747	1.4
95.53564	1.4
102.99603	1.2
145.05067	2.2
174.99254	5.0
217.00250	11.2
223.07639	1.6
229.06493	1.6
233.06078	4.0
233.11513	1.6
234.06639	1.8
235.10081	2.8
236.04736	2.5
247.07468	6.3
249.05565	12.8
250.06351	10.0
251.07045	3.2
261.05408	2.4
262.06366	3.6
263.03561	1.5
263.07013	2.3
264.04279	7.4
275.07004	1.7
276.07831	2.3
277.05084	8.6
277.08533	2.9
278.05814	13.6
279.03436	1.8
279.06546	9.5
280.03696	2.2
291.03183	2.8
291.06613	1.6
292.03760	5.9
292.07410	21.3
293.08182	50.7
294.08850	23.2
294.21585	1.6
295.09238	3.1
307.02716	2.9
307.06119	8.5
307.09756	39.2
307.19122	2.0
308.03299	8.2
308.06433	1.5
308.10251	5.0
309.11282	12.9
312.22528	2.0
319.02689	1.4
321.03943	1.7
322.08438	5.1
329.87729	1.5
333.03961	2.0
333.21188	1.4
334.21011	2.2
336.02679	10.0
337.07169	2.1
337.10843	13.5
338.11343	2.5
351.00720	2.0
351.05063	40.5
352.05450	4.1
366.07428	46.5
367.07861	5.2
381.09787	100.0
382.10156	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0981
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
59.01381	6.5
61.98825	4.3
65.88416	2.7
71.01379	6.9
84.01031	3.3
85.02946	3.2
90.27648	2.7
91.01911	16.6
96.96046	4.4
98.22646	5.7
109.02981	6.6
119.01390	55.4
121.02966	25.8
134.03760	9.4
135.04532	3.6
137.02478	29.9
144.27498	3.4
145.02960	4.3
149.02449	42.6
165.58313	3.1
173.06071	38.3
184.80055	3.1
186.03233	9.3
191.05109	2.8
193.01346	5.2
201.05557	13.7
204.05757	4.1
217.06712	4.4
220.05258	5.1
221.06064	6.4
231.06699	3.8
232.05273	3.8
235.07623	10.0
237.05484	3.9
247.07561	11.9
248.04861	5.4
249.05600	10.1
250.06401	12.9
251.07086	5.4
261.05618	5.6
263.07178	5.2
264.04373	3.6
265.05072	14.0
267.06589	19.5
268.07120	4.0
277.05072	10.3
277.08765	11.3
278.05905	21.9
279.03079	7.6
279.06665	15.2
281.04523	5.0
291.06573	14.4
292.04019	3.5
292.07352	15.7
293.08023	37.8
294.05411	3.8
294.08582	6.9
295.06116	34.6
295.09747	21.3
296.06631	4.8
307.06116	46.9
307.09750	93.3
308.06705	5.1
308.10129	10.3
309.03976	4.5
321.04218	4.1
321.07581	6.3
322.04727	7.5
322.08356	42.9
322.43701	3.0
323.08789	6.9
337.07254	5.6
337.10822	100.0
338.11148	12.6
343.21338	5.9
351.04996	3.7
381.05899	11.6
381.10126	30.4
381.18985	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
60.18155	1.8
61.98824	9.8
70.15376	3.4
91.59231	1.4
96.82695	1.4
122.02716	1.3
133.21126	1.4
141.10184	1.2
149.21613	1.3
160.84941	1.4
174.99236	2.1
195.13921	1.7
208.05258	2.0
217.00270	9.2
236.04814	5.5
247.03940	1.7
263.03409	10.4
264.04202	22.2
265.04691	2.0
275.03543	3.2
276.04285	2.9
277.05017	3.2
279.03146	1.5
279.06668	3.6
288.04315	2.6
290.05762	6.9
291.02979	24.8
292.03760	88.3
293.04105	9.0
305.08173	4.6
306.05307	29.7
306.08685	2.5
307.06067	54.6
308.03268	1.8
308.06473	5.0
321.07660	28.7
322.08215	5.3
351.04950	3.9
366.07404	100.0
367.07755	12.7
381.09793	46.6
382.10138	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1231
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
59.01380	24.8
60.59095	0.8
65.97914	0.8
69.03419	1.9
70.42028	1.4
92.95760	1.0
93.03439	2.1
95.05030	3.5
102.34980	0.8
104.21769	0.9
108.81305	1.0
108.82141	0.8
123.01338	0.9
132.98236	1.0
137.02454	3.8
158.84656	3.1
161.79227	0.8
167.10767	2.3
171.10320	1.8
174.99229	3.5
179.14424	2.6
195.13945	6.6
196.14183	0.9
205.12352	3.9
223.13371	17.4
224.13846	1.4
256.66797	0.8
265.04221	1.1
270.00632	1.1
277.07544	2.2
279.09152	3.9
291.09250	1.5
293.04544	2.6
293.10764	1.6
294.04767	1.3
311.11630	1.1
321.04190	2.0
321.10211	18.0
322.10446	2.4
337.13492	1.5
381.06406	7.2
381.12323	100.0
382.07986	1.4
382.12738	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.2
59.01376	9.8
61.98832	3.2
69.03463	3.5
69.78216	4.7
74.53575	2.6
79.95750	7.6
81.52299	3.2
81.95309	31.4
81.96149	5.5
82.96106	2.8
85.02943	17.3
96.96012	3.5
98.22005	5.4
101.02440	4.8
103.04007	6.1
104.44756	2.4
106.04274	9.4
107.04580	6.2
127.00417	3.9
139.11317	4.3
147.06641	100.0
148.01016	3.0
148.07005	4.2
154.06256	4.5
162.05667	16.1
163.05992	13.8
175.03931	4.5
176.07159	7.5
177.01968	3.8
177.07542	11.7
183.10258	18.2
194.88448	3.1
195.89131	2.7
233.08278	5.2
243.01724	3.6
244.00824	17.4
245.01208	22.9
261.07721	9.6
287.87546	3.2
299.14828	11.5
301.15674	2.8
314.89682	2.8
319.10431	3.3
321.46664	3.0
381.10165	89.4
381.18573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02869	0.5
59.96712	2.2
60.04235	0.6
60.05387	0.5
60.97497	1.5
61.98823	1.6
67.58858	0.6
71.12894	1.0
74.98637	0.7
74.99076	24.7
91.02209	44.5
92.02125	1.1
93.00131	14.2
94.55208	0.6
141.07404	0.8
143.05315	1.4
159.08469	100.0
160.08708	4.0
161.06407	11.8
199.13268	0.6
235.05925	0.6
248.08000	0.6
258.13672	0.5
299.25198	0.8
337.92618	0.6
365.10995	2.2
380.28970	0.7
385.38135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48397	0.8
55.01884	3.3
57.03433	2.4
59.01380	33.2
66.90666	0.7
69.33669	3.0
71.01381	30.6
72.99310	1.0
73.02941	9.6
75.00873	0.8
78.95864	0.7
83.01384	5.3
85.02943	13.5
87.00849	3.3
89.02447	10.9
90.98582	5.6
95.01379	3.1
96.96009	18.8
97.31091	0.7
98.21829	1.2
99.00858	3.3
101.01788	1.2
101.02441	23.6
113.02444	12.6
113.06074	2.2
119.03509	3.7
119.05044	1.1
121.22072	0.7
125.02402	0.7
131.63173	0.7
134.03728	1.6
135.04509	1.8
143.03447	1.0
157.10484	1.3
159.03029	1.0
161.04565	5.5
169.12300	1.8
176.03963	2.1
178.02673	0.6
179.03470	0.9
185.09435	0.7
191.05582	1.6
201.09569	3.5
213.11308	1.3
219.10597	0.8
289.16467	1.9
301.20062	0.7
309.09100	0.9
337.20236	4.2
343.21286	2.7
351.04819	1.2
381.15805	100.0
382.15942	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
59.01374	2.7
61.98802	0.8
62.15326	0.5
63.35198	0.6
65.65983	0.5
69.03441	0.5
69.64364	1.6
71.01417	0.6
73.02930	0.8
73.24910	0.5
79.95738	1.0
81.95313	5.7
82.96114	0.7
85.02950	12.4
101.02451	4.6
101.06065	1.6
103.04015	9.1
106.04228	2.1
107.04587	1.7
141.62721	0.7
147.06628	100.0
148.06941	2.7
154.06238	1.1
162.05602	3.4
163.05930	3.6
169.06078	0.6
176.07025	1.1
177.07504	2.0
178.07892	0.7
183.10223	1.0
191.76297	0.6
200.62982	0.5
244.00867	3.7
245.01221	5.2
251.10374	0.6
299.14801	2.2
301.15219	1.0
329.53748	0.6
332.50671	0.5
381.10251	20.2
381.16614	1.4
382.10202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01382	1.8
61.98803	0.6
71.01373	1.6
73.02950	1.4
85.02948	15.0
86.03288	0.3
89.02390	0.3
90.76900	0.3
101.02448	6.6
101.06074	1.7
103.04010	10.5
116.92848	0.4
125.02474	0.3
128.03471	0.3
137.09703	0.4
147.06630	100.0
148.06975	3.9
154.06273	0.8
161.04570	0.4
167.03499	0.2
201.11360	0.7
232.59007	0.3
234.61885	0.3
242.14983	0.3
249.13559	0.8
251.10516	0.7
260.46390	0.3
297.18069	0.3
319.19275	0.4
327.32971	0.3
337.20206	3.9
338.20752	0.4
381.19327	12.9
382.19736	1.3
382.27515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33485	0.8
52.20491	0.9
66.93921	0.8
67.58372	0.8
69.48302	3.8
79.95729	3.8
82.07104	0.9
83.17492	0.8
84.93870	6.2
85.36928	0.9
96.96005	23.1
99.92586	49.5
100.92654	2.1
100.93368	10.7
101.93399	1.0
112.20752	0.9
115.91298	1.5
115.92081	19.9
116.92859	95.6
117.92879	5.1
122.97589	1.2
290.26559	0.9
337.18381	2.0
369.17551	1.4
381.17307	100.0
381.23041	30.3
381.33353	2.0
382.17517	16.8
382.23392	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43508	0.7
55.01877	5.5
57.03445	3.7
57.43895	0.6
58.00604	0.7
59.01379	41.5
60.48227	0.6
61.98830	0.7
62.23232	0.6
63.19551	0.6
71.01382	40.3
71.42712	0.6
73.02946	27.6
73.19623	0.6
75.00864	1.1
83.01383	10.4
85.02949	24.4
86.00098	1.7
87.00870	2.7
87.08182	0.8
88.55992	0.7
89.02445	8.6
93.04586	1.3
93.46063	0.6
95.01392	3.0
96.10806	0.6
97.02938	2.1
99.00882	11.0
99.04497	0.8
101.02443	48.0
102.02762	1.1
111.00889	2.1
112.01668	0.9
113.02454	17.4
114.02706	0.7
123.09425	0.6
125.02442	1.8
127.00372	2.6
128.03510	1.2
129.01945	1.7
131.03473	1.9
136.04015	1.2
137.03503	1.1
141.02054	0.7
143.03412	1.2
146.75909	0.6
147.06619	0.9
154.06239	2.2
159.03000	3.1
161.04559	11.9
183.10234	0.8
249.13431	65.9
250.13728	4.7
264.28836	0.8
381.17636	100.0
382.17941	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06570	2.6
70.45620	5.9
80.01641	2.5
135.03581	2.4
135.04510	10.0
139.77612	2.5
141.79353	2.3
149.06059	2.8
163.07629	3.6
178.09938	5.5
191.10818	3.3
192.11472	5.0
199.13362	4.3
211.13441	4.2
241.18063	6.6
265.21799	3.8
283.22751	27.5
292.16733	4.3
295.19131	3.2
301.25717	3.1
306.18546	3.6
309.20596	7.4
321.24411	30.9
345.24356	19.7
363.25388	100.0
364.25708	11.8
368.20532	3.5
381.26370	7.4
381.30591	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89682	0.3
54.06304	0.3
59.01327	0.7
66.13895	0.3
69.86935	0.3
69.87465	1.0
78.92012	0.3
98.22008	0.6
104.56052	0.4
109.06550	0.7
110.12601	0.3
111.08140	0.4
112.07847	0.3
137.06062	1.2
138.06874	1.8
146.14426	0.3
149.06053	0.8
151.07594	1.5
164.08446	0.6
165.09151	0.5
170.05838	2.6
181.12315	0.5
192.11575	1.1
199.13324	0.6
217.00252	0.8
233.18996	1.7
234.82642	0.4
235.20665	0.9
249.18503	0.5
251.20164	3.6
259.16946	0.5
261.18582	0.7
265.18048	0.4
277.18069	79.5
278.18408	8.5
279.19644	22.7
280.19965	2.2
295.19128	100.0
296.19501	9.7
296.22696	0.2
306.18442	0.5
345.24188	0.9
363.25406	18.5
364.25787	2.3
369.23666	0.4
381.26437	6.6
382.26797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54604	0.3
53.98733	0.3
58.82117	0.3
59.01381	0.4
61.98834	0.4
69.21474	0.3
69.45438	0.9
71.05012	0.3
76.08862	0.3
86.21915	0.3
89.20664	0.3
108.05782	0.4
121.06593	0.3
121.31605	0.3
127.11264	0.5
138.06895	1.7
151.11320	0.7
153.12828	3.5
155.14380	0.4
163.11311	1.5
165.12849	4.6
170.05858	1.6
179.10773	10.9
180.11151	0.6
181.12344	35.7
182.12660	2.0
192.11626	0.4
195.10265	2.1
197.11824	4.0
199.13393	100.0
200.13719	5.9
215.12871	2.2
237.66389	0.3
312.82645	0.4
329.65042	0.3
363.25439	5.5
381.11246	0.9
381.26511	4.0
381.40765	0.3
382.26630	0.5
385.20355	0.3
393.79413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
69.53156	7.3
71.05018	3.4
96.15559	1.9
125.19508	2.1
135.04510	8.8
144.67804	2.3
150.94360	2.1
156.05167	2.2
167.14403	3.4
178.09952	4.6
181.12306	2.9
192.11562	5.2
199.13420	7.8
207.65477	2.5
211.13397	5.0
239.16341	3.7
241.18048	6.0
251.19977	2.4
265.21646	4.1
277.18091	5.5
281.21146	3.4
283.22736	21.9
284.22958	3.8
295.19138	4.0
299.15958	2.2
306.18488	3.8
309.20663	5.1
321.24301	24.9
322.24667	3.1
345.24271	25.4
346.24567	4.7
363.25385	100.0
364.25653	12.6
381.25980	3.9
381.30524	16.7
386.97992	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31020	0.6
53.22285	0.5
56.54831	0.5
59.01372	1.4
61.98817	3.2
65.62222	0.5
68.64663	0.6
70.98422	0.8
72.24015	0.6
74.18835	0.6
103.58369	0.6
125.06194	0.7
138.06889	2.4
149.06104	1.4
151.07655	1.3
170.05829	3.4
199.13354	0.9
217.00351	1.4
223.80077	0.7
233.19168	1.6
251.20168	2.4
255.16020	2.1
259.17175	0.8
267.66376	0.8
277.18082	76.6
278.18411	7.3
279.19653	22.5
280.20126	2.0
295.19147	100.0
296.19531	7.9
345.24200	1.8
363.20908	1.1
363.25388	18.2
364.25867	2.3
381.26349	8.9
382.26804	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01378	12.9
60.01693	0.7
61.98830	8.2
71.01387	3.4
71.42766	0.6
73.02951	1.2
75.00869	0.6
81.03442	1.3
83.05040	0.9
85.02943	18.5
87.00864	2.2
89.02454	4.2
96.95998	0.6
101.02444	7.0
101.06084	1.6
103.04017	10.0
111.04505	2.7
113.02446	1.1
113.38734	0.6
119.03510	1.7
127.00410	0.7
127.04009	4.2
144.03011	0.6
147.06633	100.0
148.07007	3.1
154.06230	2.0
155.03506	3.5
159.03027	0.7
179.07069	0.6
179.10794	1.6
199.02498	2.8
221.11906	0.6
244.61905	0.5
279.09998	1.0
322.12900	4.4
344.98926	0.6
383.20779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71806	0.7
57.03457	3.2
59.01377	13.7
61.98538	0.9
61.98830	10.4
69.67474	1.2
69.67867	1.0
71.01376	3.8
72.43773	0.6
73.02947	1.8
83.05000	0.5
85.02950	14.9
87.00869	4.5
89.02441	3.6
97.98629	0.6
99.04552	0.7
101.02427	8.2
101.06076	1.6
103.04013	9.0
113.02441	1.6
118.95690	0.6
119.03515	1.2
127.00349	1.1
147.06631	100.0
148.06953	3.0
154.06195	2.0
165.84390	0.5
179.05571	0.6
185.31219	0.7
221.11943	0.8
243.15601	0.7
322.12921	5.8
335.28012	0.6
382.19232	2.0
383.07986	0.8
383.17099	0.8
383.20926	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
61.98840	1.8
67.03025	0.6
69.41649	0.4
69.42044	1.1
71.01374	0.7
71.87359	0.3
72.00909	1.9
72.99291	0.3
74.02474	0.4
80.03792	0.7
81.04585	1.2
83.01374	0.4
85.02952	0.8
87.00887	0.4
88.04055	0.3
89.02431	0.5
93.04584	10.5
98.21861	0.5
98.22547	0.9
99.00855	0.4
99.04532	0.3
101.02434	0.7
108.05633	1.4
109.04054	1.2
110.07247	2.8
111.00885	0.4
111.04562	0.3
113.02466	0.4
118.04089	0.5
120.01225	0.4
123.84071	0.3
127.00350	0.9
132.03059	0.3
133.02963	1.4
134.03746	0.3
136.05183	2.5
137.03568	8.8
140.40948	0.3
142.38373	0.3
147.06651	0.7
148.06920	0.4
149.07144	0.5
151.03831	0.3
154.06224	100.0
155.06667	3.1
156.37146	0.3
157.01459	0.4
177.01944	0.4
193.05029	0.4
223.06013	0.5
225.11343	0.7
236.12297	0.3
262.61743	0.3
294.10202	0.5
383.19791	0.6
409.13138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20700	0.4
59.01377	100.0
60.01713	1.2
96.18961	0.4
98.21780	0.7
143.67603	0.5
144.97562	0.5
145.87634	0.4
322.27591	1.1
328.37592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Nidurufin
Peak:m/z	Relative Intensity
56.65070	0.3
59.01385	0.6
61.98827	1.5
64.01262	0.4
65.00336	0.4
65.98800	0.4
66.92038	0.4
68.99823	1.4
89.03978	0.5
91.01902	4.0
92.02698	0.4
93.03457	5.6
94.03843	0.5
95.01396	0.5
95.05020	0.5
96.92897	0.4
108.02171	3.3
109.02950	3.8
117.03465	21.0
118.03814	1.1
119.05035	3.0
120.02161	2.8
121.02946	9.8
121.03835	0.5
123.00880	0.9
123.04548	1.0
126.24865	0.4
131.05025	0.4
132.02202	0.4
133.02960	0.9
134.03760	2.3
136.01662	1.5
145.02956	5.4
146.03749	3.0
147.04503	2.1
148.01685	1.6
149.02452	0.6
150.77486	0.4
159.04509	1.0
160.01700	0.8
160.84193	4.0
161.02446	17.9
162.03227	5.0
165.01968	1.1
168.92204	0.4
173.02493	1.2
174.03220	2.7
175.03984	1.4
177.01971	0.3
189.01930	32.9
190.02678	10.4
191.03346	1.2
194.02196	1.0
202.02773	0.5
203.03410	0.7
205.74971	0.4
207.02974	2.6
217.01411	7.1
218.02190	45.4
219.02570	2.1
223.07616	1.0
225.09425	0.4
235.07669	0.5
251.07086	2.6
253.08746	0.7
257.04453	1.0
267.06696	1.1
269.08066	0.4
279.06592	3.0
280.07266	0.8
281.08124	3.6
295.06094	3.2
296.06848	0.8
297.07712	1.7
307.06116	1.4
309.07568	0.9
323.05774	0.8
324.06207	1.2
325.07144	11.1
326.07452	1.0
346.81967	0.4
353.06644	100.0
354.06982	11.4
365.06857	1.9
383.07709	34.6
383.97565	1.5
384.08029	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
59.01370	6.9
65.00349	2.1
70.10187	4.6
71.01369	2.3
81.65592	1.7
91.01887	8.2
93.03442	17.1
95.04999	2.1
96.96013	23.3
98.22559	2.6
102.04725	2.1
103.05555	6.3
105.03456	4.5
109.02968	4.1
117.03461	14.0
119.05034	20.9
121.02984	16.6
123.04582	4.2
130.04242	15.8
131.05035	33.7
132.05379	2.3
133.02956	8.5
133.06616	9.7
134.03749	7.6
135.04448	3.2
136.21320	1.9
141.03488	1.8
141.25044	2.3
143.04990	12.6
145.02954	22.7
146.03737	39.0
147.04552	18.3
149.02443	2.4
152.90822	1.9
158.03740	31.2
159.04506	100.0
160.05040	6.3
161.02359	2.5
161.06100	13.9
165.07159	2.3
171.04517	15.6
172.05156	2.8
173.02469	10.0
173.03902	2.0
174.03214	23.3
177.76224	2.2
178.02692	4.6
185.02480	3.5
187.04039	19.5
188.04723	3.6
189.05562	40.2
189.07245	2.1
190.05858	2.5
193.06575	2.9
204.05952	2.2
205.06612	3.2
207.08298	3.0
207.10289	4.8
208.05341	3.8
209.06047	9.7
210.06834	3.4
211.07611	4.2
215.03458	4.1
217.05058	5.4
221.06091	7.8
222.06834	9.0
223.07642	11.2
225.09244	3.2
225.11310	2.2
232.05206	2.3
233.06104	8.9
234.06757	5.0
235.07616	6.7
237.05586	5.8
239.07106	4.4
248.04695	3.1
249.05528	15.3
250.06248	17.2
251.07114	43.0
252.07712	6.9
253.08577	4.0
261.05603	12.7
262.06244	4.9
263.07059	19.9
264.07736	4.9
265.05121	3.9
265.08545	4.2
266.05884	4.2
277.05057	7.0
278.05902	12.3
279.06592	62.5
280.07285	28.1
281.08188	47.8
282.08450	3.1
291.06595	25.6
292.07373	20.8
293.04562	2.7
293.08118	8.6
294.04767	2.9
307.06165	13.7
308.06705	2.1
309.07675	95.1
310.08041	9.2
321.07660	41.9
322.07913	3.7
323.08038	18.7
339.08704	7.0
383.07767	8.2
383.16797	4.4
383.21140	2.9
391.75089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01382	100.0
71.01382	32.4
71.15314	1.6
73.02948	5.6
83.01387	2.5
85.02972	8.3
85.67566	1.0
86.00124	1.6
87.00874	4.1
89.02435	4.3
99.00877	2.0
101.02449	12.7
113.02442	7.7
129.33449	1.4
133.26509	1.3
147.06641	24.5
150.52986	1.1
156.78268	1.3
159.02948	2.6
161.04568	12.8
173.08186	4.5
201.07649	5.1
263.11340	26.6
291.10938	10.4
315.27850	1.2
317.97766	1.3
323.13397	1.7
360.13556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
68.13595	3.3
69.98859	8.5
71.01383	16.7
72.99297	23.3
74.96198	7.2
75.00880	15.8
83.05032	5.5
84.02143	3.3
85.02952	3.3
87.49690	3.4
88.12193	3.3
94.37209	3.6
95.05029	5.4
97.06577	4.3
98.22543	3.8
101.36731	3.1
123.04524	10.0
125.09652	4.7
125.78610	3.2
127.07666	15.3
139.07625	5.0
153.09190	9.6
163.11208	4.6
171.10251	9.8
176.65149	3.3
185.11867	15.3
197.11823	19.3
207.10056	13.4
209.11824	54.9
219.10056	6.1
221.07878	6.3
230.34946	3.2
231.09984	4.2
238.11909	4.3
260.10245	41.6
262.33582	3.2
278.11331	100.0
279.11771	7.6
289.18094	7.8
301.17813	4.1
307.19128	46.9
308.19504	5.2
309.20926	5.0
325.20163	40.4
326.20483	6.9
329.17343	83.3
330.17670	8.6
339.08969	4.2
347.18350	61.3
348.18576	6.3
383.11218	5.3
383.16071	76.8
383.20724	4.6
384.16138	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08978	1.9
60.25730	1.6
71.44340	2.1
78.41261	1.5
87.00865	2.2
126.11322	1.7
133.47523	1.7
147.00261	1.6
233.50664	2.0
303.26999	2.2
347.25916	100.0
348.26361	12.0
365.26953	31.6
366.27289	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.69263	9.2
64.84043	7.8
69.48800	22.6
71.01382	30.7
85.02938	21.2
89.02441	59.5
96.95975	12.5
97.16048	7.3
101.02415	20.8
107.85397	7.7
113.02454	21.6
119.03499	18.9
132.92136	7.2
134.04747	8.2
136.23149	8.0
161.01051	6.8
179.05588	18.6
179.10806	11.1
211.13385	13.4
212.11694	10.4
299.12497	8.6
311.14920	17.5
382.87604	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.29047	4.2
72.49812	1.1
77.78512	1.2
81.76454	1.2
85.00418	1.7
86.28049	1.0
116.89773	1.0
119.99398	1.2
158.50647	1.1
264.37512	1.2
323.15817	1.3
324.29160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03446	13.3
59.01375	10.0
60.01710	0.3
61.98826	0.5
67.64749	0.2
68.99821	0.6
71.01378	3.6
72.99292	1.2
73.02972	0.4
75.00864	1.9
83.01387	1.0
84.02157	1.4
85.02946	100.0
86.03291	1.9
87.00871	2.1
89.02451	2.0
89.03973	0.3
96.69868	0.2
99.00854	0.5
101.02434	1.1
103.00376	2.1
108.02161	0.3
111.00895	0.9
113.03629	0.2
114.05611	0.2
115.00391	0.9
117.03445	0.3
129.01938	9.5
130.02315	0.3
130.08759	0.3
131.04634	0.5
133.01443	0.7
134.03734	4.1
147.02989	10.1
149.06105	0.5
152.01172	0.2
162.05638	0.6
163.02519	0.4
173.00887	1.6
175.04030	0.3
178.02585	0.3
180.06657	0.4
191.01964	31.3
191.05598	0.9
192.02318	1.2
193.04993	2.2
209.03004	13.1
210.03445	0.5
229.10887	0.2
309.11908	0.8
367.06836	0.4
385.07693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03448	14.7
59.01372	9.8
71.01363	3.4
71.42086	0.6
72.99305	1.7
73.02948	0.5
75.00874	1.7
75.52982	0.5
83.01385	1.2
84.02144	1.2
85.02947	100.0
86.03278	1.6
87.00874	1.7
89.02439	1.0
101.02457	0.9
103.00375	1.7
111.00886	1.2
115.00393	0.7
129.01942	8.0
133.01443	1.1
134.03743	5.0
147.02983	8.5
149.02370	0.5
152.36183	0.5
173.00900	1.7
189.15193	0.5
191.01962	25.6
192.02245	0.9
193.05061	2.0
209.03015	15.2
210.03404	0.5
222.48520	0.4
260.68640	0.5
375.81366	0.4
385.07764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03449	17.4
57.59901	0.6
59.01385	10.2
69.30669	3.7
71.01387	3.6
72.99306	2.0
75.00867	2.2
83.01369	1.3
83.52364	0.7
84.02179	1.3
84.22626	0.6
85.02955	100.0
86.03288	2.7
87.00861	2.0
101.02457	1.0
103.00360	1.8
129.01956	7.8
133.01448	1.6
133.03006	0.6
134.03754	5.2
147.02988	6.7
149.02477	1.6
164.04810	1.3
173.00972	1.0
179.07126	0.9
183.13950	0.6
191.01988	25.5
192.02406	1.0
193.05074	2.7
208.03784	1.1
209.03015	11.9
223.06097	2.6
234.00731	0.7
245.72481	0.7
343.59128	0.7
385.07779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.95111	0.3
57.03451	1.1
59.01373	1.5
60.05563	0.4
67.17094	0.4
69.42243	1.9
71.01379	1.1
75.00883	0.6
85.02951	10.0
87.07940	0.3
93.03450	1.3
108.88163	0.4
111.00934	0.5
121.02951	9.2
128.84756	0.4
129.01950	0.5
134.03751	1.0
135.04552	2.3
137.02454	0.6
147.03021	0.8
149.02438	57.2
150.02817	2.8
152.01151	2.2
163.03983	4.6
164.04794	53.9
165.01929	1.0
165.05115	2.7
179.07140	17.5
180.07457	1.4
191.01993	3.2
191.03510	0.7
192.97285	0.4
193.01405	9.7
194.01706	0.5
208.03767	23.1
209.02768	3.3
217.68843	0.4
223.06108	100.0
224.06451	5.5
265.07242	0.5
343.65317	0.5
385.11356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44288	0.6
57.03452	4.5
58.02996	0.7
59.01113	1.0
59.01380	13.2
61.98827	6.3
69.03430	0.7
71.01382	9.5
71.02487	5.1
72.99289	2.9
73.02938	2.4
75.00864	3.2
79.95724	1.6
81.03466	1.8
82.02971	2.8
83.01389	1.5
83.05016	5.5
84.02158	1.7
85.02950	14.1
87.00873	2.4
87.05627	2.1
88.08765	0.7
89.02451	3.7
91.05541	5.2
93.03441	1.0
95.01383	1.5
95.05035	1.1
96.96001	9.5
97.00426	9.0
97.02946	1.4
97.06567	0.9
99.00870	2.0
99.04508	1.6
101.02441	3.8
110.02476	21.2
111.00861	1.2
113.02446	6.5
114.03107	3.7
119.03520	1.5
121.02988	5.6
125.06049	1.2
125.09700	0.8
129.01947	1.4
129.06697	2.3
130.08745	8.5
131.09178	0.7
134.03703	1.7
135.04605	1.1
135.08156	1.2
138.97060	0.6
141.43582	0.7
147.03009	0.8
151.03990	0.9
152.08368	1.3
153.09225	3.3
154.06190	1.3
157.02405	0.8
157.03682	13.3
157.13470	1.8
159.02959	0.8
161.04581	1.8
163.11279	4.6
165.09225	0.9
165.12871	3.2
171.10243	2.1
173.09326	1.5
191.01971	2.5
191.10770	1.6
193.05086	0.9
201.12462	0.7
205.12305	1.6
209.02951	2.3
209.11829	100.0
210.12166	7.0
215.06882	0.8
223.00806	0.9
223.06113	1.1
223.13391	0.8
226.10806	0.9
227.12888	33.7
228.13167	2.4
228.17177	1.2
241.00217	1.5
241.10864	1.0
249.06148	4.7
264.12454	3.0
267.07199	11.7
270.13443	8.3
282.13370	2.5
287.16187	0.8
299.16119	39.6
300.16425	3.0
307.12790	0.7
342.16684	10.8
385.11487	15.0
385.16443	1.3
385.21371	6.9
386.18219	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79075	0.4
57.03448	1.2
59.01378	100.0
60.01721	1.3
61.98820	0.5
68.80762	0.3
69.03459	0.5
69.07742	0.7
69.08141	1.7
71.01372	3.7
71.01685	0.4
72.99316	1.6
73.02934	2.1
74.77728	0.3
74.84364	0.3
75.00866	0.6
75.53908	0.3
83.01396	0.5
83.05051	0.9
85.02946	2.6
87.00890	2.7
87.02081	0.4
89.02441	1.4
96.96055	0.4
97.06641	0.5
99.00881	2.3
101.02433	1.9
109.02967	0.6
111.00860	0.6
112.98813	2.9
113.02460	1.3
115.00394	1.2
115.70383	0.4
119.03510	0.6
142.99860	3.9
146.42114	0.4
156.00688	1.1
171.10406	0.4
173.00922	3.4
174.01698	14.4
175.02373	2.0
180.41823	0.3
181.12378	0.5
182.21428	0.4
189.21198	0.4
191.02104	0.6
195.13855	0.4
205.12439	0.8
207.13882	0.4
211.13374	4.3
219.14029	0.6
223.13354	2.7
225.08446	0.4
225.14999	0.7
237.11389	1.2
237.15010	0.4
243.14133	0.4
244.65901	0.4
245.11700	0.6
250.02298	0.4
259.53665	0.5
263.12912	1.7
267.12341	3.0
268.12833	0.5
279.12509	0.5
281.14053	0.6
282.09415	0.4
287.13010	0.6
297.11227	0.7
307.11874	1.2
325.12970	0.7
347.17188	0.7
367.13864	2.7
385.14700	0.8
385.22617	2.2
394.26981	0.4
404.25906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69756	0.8
55.01879	1.0
57.03428	0.9
59.01378	82.9
59.99269	0.8
60.01722	0.9
61.98831	2.2
69.03422	1.2
69.57999	3.4
71.01382	6.3
73.02931	2.4
73.72296	0.8
76.98016	0.8
78.90285	0.8
81.03443	1.0
83.01382	1.3
85.02954	6.4
87.00877	4.9
89.02444	5.4
95.01393	0.8
97.06622	1.3
99.00861	1.4
101.02433	5.0
103.25115	0.9
111.00901	4.5
113.02447	2.4
115.08776	1.7
119.03477	1.9
129.01970	2.0
130.08717	2.7
135.08131	1.9
141.01981	1.0
147.08147	3.6
149.02502	1.4
153.01842	0.9
153.09203	1.7
157.08699	1.1
161.04517	0.8
165.09213	1.6
172.85397	1.0
187.11346	1.2
190.10205	0.8
205.12358	1.8
209.02800	1.0
223.06078	1.7
223.13335	1.7
225.11327	100.0
226.11693	7.6
330.73801	0.8
360.75644	0.8
385.18994	1.3
385.24515	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
55.01876	2.4
57.03447	4.1
58.00575	0.5
59.01378	81.0
60.01714	0.5
61.98827	0.7
64.56837	0.3
69.03471	1.0
69.45624	0.9
69.46007	0.7
69.86208	0.3
71.01381	59.8
72.01728	1.2
72.99303	2.1
73.02944	12.2
75.00867	0.7
81.03460	0.5
83.01388	5.5
83.05019	1.0
84.02155	0.7
85.02950	22.9
87.00871	2.9
88.04049	0.7
89.02445	30.5
90.02759	0.4
95.01378	4.3
95.05051	1.9
96.96034	0.6
97.02956	5.4
97.06588	0.7
98.22599	0.8
99.00877	3.9
101.02444	30.3
102.02796	0.6
105.07102	1.7
107.05035	1.2
108.05831	2.4
109.02936	0.5
109.06584	2.3
111.00889	1.6
111.04515	0.9
111.08202	0.5
113.02450	24.5
113.06071	3.8
114.02759	0.5
119.03508	10.6
121.06671	0.6
122.03743	1.7
123.08167	3.7
125.02449	1.1
125.06084	6.0
129.01958	0.9
129.06728	0.4
131.03514	1.2
131.28580	0.4
134.03690	0.6
135.08136	1.0
136.05302	2.8
137.06082	1.5
138.06870	23.0
139.07664	8.5
141.06807	0.5
143.03513	2.7
147.08209	1.2
149.02467	0.9
149.04640	0.9
149.06053	0.8
150.06799	0.5
151.07645	19.1
152.04878	2.4
152.06650	0.5
152.08437	38.9
153.09213	100.0
154.09573	4.1
158.65140	0.4
159.02998	3.5
161.04553	18.0
161.09697	0.9
163.11290	3.5
164.04807	0.6
165.09187	2.3
167.07146	1.4
175.00293	0.4
177.45584	0.4
179.05630	2.5
179.07034	0.6
187.11250	1.4
189.09213	1.4
190.02715	1.3
190.10013	1.7
191.02023	0.6
205.05090	0.9
205.12331	27.1
206.05881	0.5
206.12727	1.8
208.03703	0.4
223.06183	1.8
223.13382	15.6
224.13725	1.2
225.11313	16.7
226.11639	1.0
240.98212	0.4
265.07062	0.5
286.02658	0.4
325.09222	0.7
385.11270	0.6
385.18616	7.9
386.18948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
61.98829	100.0
69.47482	3.0
72.99312	1.1
85.02966	0.8
96.16531	0.7
98.02763	0.7
130.08754	3.4
136.07719	1.3
169.89870	0.6
171.10315	1.0
185.73358	0.7
190.05106	0.7
211.13547	1.2
214.59152	0.7
222.07617	0.8
322.20303	2.7
327.21973	1.3
349.19711	1.1
385.17966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.0
61.98827	100.0
67.52155	0.9
71.44669	1.0
109.18707	1.0
124.07639	1.0
129.09204	2.4
129.82695	0.9
130.08733	3.9
133.02966	2.6
134.03725	4.2
137.02489	1.2
141.09193	1.4
155.10742	2.7
160.18620	1.0
161.02449	4.9
171.10286	1.4
185.11787	2.6
192.04286	1.2
193.05052	31.2
194.05231	2.2
197.11882	3.2
202.51970	1.1
207.10002	2.9
227.12918	1.3
249.11044	3.2
280.12897	1.5
291.19336	1.2
322.20163	2.5
327.21667	4.4
331.18881	5.3
333.27899	1.1
349.19623	2.1
350.23236	1.7
385.17538	7.8
385.25885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12676	0.4
57.03468	0.5
57.57005	0.5
58.42915	0.5
59.01382	4.6
61.98824	3.5
62.13014	0.5
67.80434	0.4
71.01366	0.5
71.41904	0.4
81.03479	0.4
85.02935	0.8
89.02444	0.7
91.04016	2.6
93.04588	0.5
97.06576	0.7
121.02967	1.4
122.03756	1.6
124.94190	0.4
125.02449	0.9
126.03230	0.8
135.99451	0.4
136.05283	1.3
137.90315	0.5
167.14401	3.4
179.08992	0.4
179.79724	0.5
190.21765	0.5
193.15961	1.3
207.17561	1.4
209.11714	0.6
214.38861	0.5
223.20639	1.8
231.17513	0.7
233.15451	0.6
249.18602	7.1
250.19084	0.8
267.19641	100.0
268.19946	8.6
275.16544	11.0
276.16861	1.6
293.17581	68.0
294.17938	6.3
297.61823	0.5
311.18655	13.0
311.22284	0.7
312.19019	0.6
324.24960	0.5
327.21667	0.9
367.21219	9.0
368.21494	0.9
385.22281	63.4
386.22537	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.42378	0.5
55.01894	0.4
59.01378	4.8
61.98830	2.4
69.47330	1.3
71.01392	0.8
85.02956	0.9
88.34512	0.3
89.02433	1.2
91.04012	2.4
97.06580	0.8
121.02943	0.9
122.03729	1.6
125.02434	0.8
126.03212	0.6
135.04517	0.6
136.05295	1.1
167.14447	3.2
191.41348	0.4
193.15952	1.2
197.10411	0.4
207.17509	1.0
211.13312	0.4
223.20612	2.0
229.06036	0.5
231.17528	0.6
232.98477	0.4
233.15451	1.1
249.18564	7.2
250.18944	0.9
267.19632	100.0
268.19971	8.6
275.16519	12.0
276.16867	1.2
280.01193	0.4
293.17578	66.3
294.17868	7.0
298.64059	0.4
311.18646	11.7
312.18951	0.9
327.21591	0.4
348.19180	0.4
367.21231	6.3
368.21774	0.6
385.22275	61.3
386.22638	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2595
Annotation	oscr#25
Peak:m/z	Relative Intensity
51.24905	1.1
57.03448	1.4
59.01366	2.8
69.03484	1.3
71.43488	1.2
71.43939	1.4
85.02959	2.4
91.03982	1.6
101.03613	1.1
109.10817	1.2
125.03453	1.1
131.46590	1.2
249.22220	78.6
250.22574	7.7
267.23257	2.4
279.19321	1.2
293.17798	1.4
293.21216	58.1
294.21558	4.3
311.22266	100.0
312.22589	9.8
385.20447	2.7
385.25916	54.2
386.26224	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16673	2.2
59.01385	3.5
61.98828	100.0
64.69595	2.1
85.02958	5.4
95.93430	2.1
101.29163	2.0
131.84912	2.1
209.03098	2.8
214.00575	2.5
314.13098	2.4
404.50198	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
59.01113	1.5
59.01379	16.5
59.05239	1.1
60.01670	1.0
61.98830	100.0
70.97182	1.6
70.97522	1.8
71.01385	4.1
72.41443	1.2
75.00886	1.4
79.95739	13.7
80.96501	1.3
82.67164	1.1
85.02950	19.4
86.03274	5.9
89.02427	1.9
93.03434	1.6
101.02465	2.0
102.94682	1.5
121.02934	7.0
122.03295	3.3
134.03772	1.6
135.04517	1.2
149.01242	2.6
149.02446	51.5
150.02777	36.6
151.02931	2.1
151.04088	1.2
152.01154	2.1
153.01427	1.5
163.03998	2.7
164.04807	39.8
165.01952	2.1
165.05124	39.6
166.02330	1.5
166.05327	1.8
179.07155	11.7
180.07498	11.3
191.01979	4.5
192.02252	2.7
193.01434	10.4
194.01743	8.9
208.03743	14.2
209.04253	18.9
223.06129	54.4
224.06467	87.8
225.06606	6.0
265.07266	1.4
291.89566	1.3
386.06833	7.0
386.11429	2.6
387.16983	5.7
387.21320	1.3
404.89774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17569	0.8
57.03460	1.6
59.01382	10.9
61.98829	100.0
66.07964	0.9
69.93672	2.0
69.94009	1.0
71.01387	3.1
72.27028	0.9
72.75166	0.8
72.99350	0.8
79.95732	18.8
80.96530	1.4
85.02953	14.4
86.03291	5.3
89.02446	1.4
90.97587	0.8
93.68296	0.9
95.47578	0.8
101.02483	1.0
102.94743	2.3
113.02425	1.6
121.02943	4.2
122.03298	3.4
129.01996	0.8
135.04576	1.7
147.03033	1.7
149.02446	26.1
150.02773	22.9
152.01172	1.1
153.01466	1.6
163.03996	1.7
164.04782	28.0
165.05119	26.9
166.05304	1.3
179.07146	8.3
180.07491	9.0
191.01990	3.7
192.02344	2.0
193.01379	6.2
194.01764	6.1
208.03781	11.5
209.04199	16.3
210.03362	1.6
223.03975	2.1
223.06107	35.4
224.06454	60.5
225.06520	4.0
238.13039	0.9
254.45604	0.8
386.06808	9.4
386.11392	1.8
387.07236	1.0
387.12305	1.3
387.16592	2.5
387.22244	1.0
403.27908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98830	100.0
70.98290	0.6
170.38655	0.4
197.61206	0.4
231.41466	0.4
305.17630	0.6
311.75171	0.5
316.66251	0.4
367.96289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91584	0.6
54.45113	0.7
59.01375	2.6
59.08039	0.6
60.88762	0.7
61.98829	100.0
69.64639	0.8
69.64979	1.8
88.17625	0.7
98.21904	0.9
99.92602	1.7
136.04079	1.1
141.86807	2.6
151.61607	0.6
159.46402	0.7
159.87912	0.6
191.05524	0.9
386.09879	1.1
386.15390	0.9
397.39172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.5
61.98813	2.9
71.01371	1.6
71.43565	1.2
72.00916	1.5
73.02951	1.0
82.02921	1.6
83.01395	1.5
94.03006	1.1
101.02432	2.6
109.04107	1.2
111.79826	1.0
123.04517	1.0
127.05125	4.0
127.07652	1.4
137.02420	1.1
137.06033	1.3
140.74312	1.0
147.04520	5.4
147.91942	1.0
154.12579	1.1
157.03603	1.1
164.07166	17.1
165.05559	2.6
165.07091	17.5
166.07394	1.9
167.05013	13.8
168.05771	3.1
169.06534	2.9
171.04448	2.0
180.05807	4.7
180.10260	4.3
181.06474	2.4
182.03712	4.5
183.04462	1.1
193.04997	1.1
195.04498	33.6
195.08107	4.8
196.05264	17.7
197.06068	21.7
198.03178	2.9
198.06363	1.6
199.03932	3.3
202.84795	0.9
209.11812	2.2
210.03447	6.1
210.06854	29.8
211.03990	2.0
211.07628	26.5
211.13364	6.0
212.08267	4.4
213.05547	6.0
222.12473	13.0
223.10931	5.2
224.04768	5.6
225.02051	1.4
225.05623	21.8
225.09163	41.4
226.02711	4.1
226.06096	3.0
226.09525	3.4
227.03487	3.9
238.02676	4.6
239.07111	11.8
240.07890	18.6
240.13522	1.6
241.04970	1.3
241.08310	2.4
244.07185	1.5
253.01364	2.8
254.02213	26.6
255.02594	2.7
255.06671	3.4
255.10207	2.9
268.03806	2.3
269.04541	38.2
270.04828	3.2
283.06189	14.1
283.16632	2.4
284.06876	8.6
299.09171	4.8
307.19125	3.5
308.19434	2.0
325.20142	2.0
343.08206	100.0
344.08578	10.1
344.19617	2.7
353.17175	1.2
373.10117	2.5
387.10648	1.5
387.15283	2.4
387.24097	2.7
388.18762	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1087
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
59.01381	25.1
60.01717	0.5
65.00323	0.7
69.48501	1.9
71.01391	7.5
73.02954	8.7
83.01392	1.8
85.02961	2.9
89.02445	3.3
89.03978	0.7
91.01910	4.3
93.03520	0.5
96.02173	0.5
96.99299	4.8
99.27657	0.5
101.02442	6.8
103.99924	0.5
108.02209	2.9
109.02969	4.3
113.02473	3.5
117.03485	2.3
119.03513	1.2
121.02937	1.4
121.10277	2.6
123.04524	8.2
123.64775	0.5
124.04841	0.5
134.02719	1.4
134.03741	27.1
135.04126	0.6
137.02423	0.5
145.02946	3.4
146.03748	11.7
147.04527	3.6
148.01659	1.0
148.05330	1.3
149.06107	3.2
153.05528	0.8
158.03731	7.6
159.03160	0.9
159.04530	17.1
160.01671	1.0
160.04886	0.8
161.04588	3.2
161.06082	5.9
163.04057	1.6
165.09172	1.0
173.06070	6.2
173.64725	0.6
174.03198	0.9
175.03961	1.1
178.02707	2.7
187.03984	0.8
193.05070	9.8
238.06497	0.6
239.07224	1.0
241.05090	1.4
249.05629	1.2
250.06352	1.2
251.07141	0.5
256.07401	1.2
265.08713	0.8
266.05878	4.3
267.06604	6.1
268.07355	2.2
269.08063	0.8
271.09760	0.7
277.05078	1.0
278.05975	1.1
280.07574	1.3
281.08197	9.9
282.08911	5.5
283.09668	3.2
284.10501	3.2
293.04718	0.6
294.05270	0.9
295.06128	11.1
295.09354	1.0
296.06628	1.6
297.11148	0.8
301.16507	2.5
309.07697	1.7
310.08493	11.6
311.08890	1.0
325.10803	7.7
326.11130	0.7
327.14392	1.3
339.05072	0.9
343.11801	0.7
345.15283	0.9
354.07428	2.4
369.09750	5.5
387.10876	100.0
387.16364	6.4
388.11221	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1086
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
55.99072	0.5
56.75291	0.6
57.02182	0.5
57.03453	0.7
58.13416	0.5
59.01380	24.7
60.01713	0.6
61.98851	0.6
64.94202	0.5
67.86178	0.5
69.06535	3.9
71.01382	7.3
71.80998	0.5
73.02943	7.8
83.01389	2.8
85.02957	3.1
87.00779	0.6
89.02460	3.5
89.03960	1.1
91.01904	6.3
96.99310	6.1
98.22691	1.1
101.02437	6.9
108.02160	3.0
108.70531	0.6
109.02938	5.1
113.02441	4.3
117.03465	2.7
119.03516	1.2
121.02985	1.6
121.10236	2.7
123.04523	9.6
127.71275	0.6
134.03741	30.5
135.04196	0.6
137.02411	0.9
145.02953	3.4
146.03737	10.7
147.04524	4.9
148.01680	1.1
148.05293	1.1
149.06116	3.3
158.03749	7.4
159.03166	1.2
159.04517	18.3
160.01624	1.4
160.04909	0.8
161.04556	3.2
161.06088	7.1
163.03993	2.8
165.09187	0.8
173.06084	5.7
174.03250	0.9
175.04021	1.3
177.05565	0.6
178.02739	3.0
187.04022	1.6
193.05043	9.0
207.10313	0.7
223.07602	0.7
239.07158	1.8
241.05119	1.9
250.06232	1.5
251.07117	0.7
254.06111	0.8
256.07407	1.0
266.05884	4.9
267.06656	6.8
268.07349	2.6
269.08008	1.4
271.09760	1.7
277.05106	1.6
278.05850	1.0
280.07364	1.1
281.08209	12.1
282.08920	4.6
283.09659	3.7
284.10538	3.6
292.06750	0.8
294.05304	1.2
295.06134	12.3
296.06650	1.1
301.16626	2.1
309.07599	2.3
310.08469	11.6
311.08856	1.3
325.10858	8.4
327.14532	1.6
339.05145	1.1
343.11655	1.2
345.15347	1.1
354.07361	2.8
369.09753	5.6
387.10867	100.0
388.11288	9.7
388.16174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1563
Annotation	GS-3
Peak:m/z	Relative Intensity
59.01374	6.0
69.70385	0.6
71.01373	1.1
71.41647	0.6
87.00867	0.9
90.39095	0.6
94.06617	2.3
106.89459	0.6
107.03783	13.0
120.04557	1.7
121.05322	1.1
122.06123	51.8
123.04468	0.6
123.06480	1.8
130.02998	3.8
131.03777	6.5
132.04544	8.2
132.86844	0.6
134.06065	1.9
139.02733	0.8
146.06133	1.8
147.03194	0.9
148.04048	1.7
149.51700	0.6
150.05608	0.6
152.07176	100.0
153.07544	4.0
158.02492	12.3
160.04115	0.9
161.04456	0.8
162.05638	6.3
164.07245	0.7
176.03476	2.0
190.05106	47.2
191.05493	3.0
192.06670	1.2
197.11728	0.7
211.13446	0.7
215.93365	0.7
222.07730	39.2
223.08076	2.0
234.07770	1.2
265.09995	0.9
278.58405	0.8
293.09525	0.8
307.19339	0.8
323.10080	0.6
346.69949	0.6
355.12894	4.6
356.13367	0.8
359.16150	1.8
361.08905	0.7
387.15628	82.0
388.15820	9.6
402.49069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39629	0.6
59.01381	80.4
60.01702	0.7
69.13015	3.6
71.01381	15.1
73.02982	0.9
83.01402	1.3
85.02957	2.0
85.04098	0.6
86.03310	0.6
89.02448	13.9
95.01389	1.8
101.02451	8.8
113.02428	4.9
119.03512	4.9
142.95924	0.7
163.11301	6.2
207.10269	11.9
249.37347	0.6
380.45660	0.6
387.16608	100.0
388.16943	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03443	0.7
59.01382	69.4
60.01725	1.4
60.28745	0.5
66.84209	0.5
68.79938	0.6
70.50156	0.9
71.01009	1.0
71.01382	13.4
71.01780	0.9
73.16932	0.6
83.01380	1.1
85.02931	3.1
85.44910	0.5
89.02447	13.2
95.01382	1.1
101.02444	8.1
101.96129	0.6
113.02448	4.2
119.03513	4.5
163.11296	5.0
207.10266	11.2
258.82190	0.6
387.16599	100.0
388.16907	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01728	0.8
65.79919	0.7
68.99257	0.7
69.36511	2.9
71.01380	17.5
71.01778	0.9
72.01746	0.8
73.02952	1.5
83.01394	0.9
85.02948	3.8
87.00887	0.8
89.02448	18.8
95.01406	1.6
101.02456	9.9
113.02463	5.9
113.90399	0.6
119.03502	6.1
131.03561	0.8
143.03513	1.0
147.76608	0.6
149.04623	0.9
152.82310	0.6
161.04581	1.0
163.11310	14.0
164.11639	1.1
207.10294	2.6
225.11325	0.9
232.79892	0.6
267.47858	0.7
387.16611	89.4
388.16959	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03453	1.5
59.01382	98.7
60.01722	1.6
60.74212	0.7
61.98828	13.7
69.03458	2.4
71.01386	23.2
72.99326	1.5
73.02943	1.3
73.73797	0.7
83.01399	2.0
85.02954	7.5
86.03291	1.0
87.00898	1.1
89.02448	23.6
89.67328	0.7
93.99292	0.8
95.01414	1.6
95.05084	0.9
96.96013	0.8
99.00914	1.2
101.02450	14.9
113.02465	7.5
117.10294	0.7
119.03497	8.2
121.06820	0.8
122.73853	0.8
131.03609	0.7
146.06123	3.0
147.08229	0.9
149.02501	1.6
150.59763	0.6
151.04088	0.9
161.04570	1.0
163.11292	43.2
164.04774	0.8
164.11615	2.5
165.05560	2.1
166.06395	1.2
177.01944	8.0
179.05690	1.1
179.07164	1.1
180.89938	0.7
183.99324	1.0
185.00969	1.9
190.05045	0.7
192.04305	12.1
192.05936	1.3
193.04922	1.3
207.06627	25.1
207.10252	1.3
208.06966	1.4
225.07753	9.9
226.07906	0.8
239.95549	0.7
277.82144	0.7
387.16626	100.0
388.16974	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
50.11978	0.4
55.01878	5.7
57.03453	6.0
58.00594	0.8
59.01381	85.9
60.01725	1.1
61.98823	0.9
68.99814	0.8
69.03461	1.3
71.01384	100.0
71.05018	0.6
71.43777	0.5
72.01724	1.7
72.99303	2.1
73.02949	28.9
74.03284	0.4
75.00873	2.2
80.59048	0.3
81.03437	0.7
83.01389	12.1
84.02175	0.6
85.02952	41.9
85.32161	0.4
86.00083	0.6
86.03297	0.9
87.00880	4.8
88.04051	0.9
89.02449	35.2
93.03464	3.8
95.01392	8.0
95.05019	0.5
96.96014	1.5
97.02965	2.7
99.00890	9.8
99.04532	1.3
99.93646	0.4
101.02449	70.7
102.02791	1.7
111.00874	0.9
113.02454	42.1
113.06088	0.4
114.02773	0.7
115.03996	0.6
116.92870	0.5
119.03510	15.7
120.03790	0.4
121.06652	0.4
125.02472	2.3
129.01945	1.5
130.08775	0.8
131.03532	1.8
136.01706	0.6
137.02460	7.7
137.09738	0.5
143.03517	4.9
149.04517	1.4
151.03981	1.4
151.11270	0.5
153.01918	0.6
159.02994	8.1
159.07770	3.5
161.04562	44.2
162.04868	1.3
163.11295	8.2
168.04297	0.6
177.12878	0.6
179.05652	2.8
181.05115	0.6
181.12328	2.7
183.06648	0.5
189.12823	1.6
191.14400	0.4
207.10231	0.9
207.13922	3.7
209.11832	0.5
225.11502	1.7
225.14952	5.0
227.12892	2.3
249.06094	1.4
301.16531	0.5
341.10568	0.4
343.17429	0.5
364.93958	0.4
387.16290	14.5
387.20221	24.2
388.16684	1.4
388.21136	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.1
67.64655	14.2
67.69544	13.8
69.52052	61.5
79.23985	14.5
98.22622	30.6
123.04523	40.4
221.11580	43.4
233.19121	29.2
301.17770	64.1
309.76685	14.3
315.15775	35.6
319.18765	89.7
363.17813	41.0
387.25336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15924	21.2
59.01376	100.0
61.98829	45.4
70.45440	22.9
70.67459	44.1
75.60227	29.7
128.47008	27.5
139.41046	25.7
141.01759	33.3
177.92970	28.0
270.14587	25.6
406.47653	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	29.3
69.17581	100.0
69.17980	50.8
72.70640	20.8
183.55261	25.3
217.20061	28.4
251.14603	26.8
317.27380	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	89.4
61.98841	67.6
70.08620	22.5
70.62225	10.3
71.01384	37.1
72.99322	10.7
74.57532	8.9
78.91884	46.0
85.02941	43.3
89.02474	24.7
103.01486	17.5
112.32719	9.8
118.55461	9.7
128.03537	27.6
139.04108	17.6
165.05574	37.4
172.47452	10.4
177.13293	11.5
180.96715	10.7
183.06613	100.0
192.04340	10.0
246.03108	11.6
271.65173	9.7
342.10968	12.1
388.17731	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82139	4.0
59.01113	7.6
59.01385	100.0
59.52001	3.9
60.01712	6.0
66.27598	4.6
69.56160	17.0
71.01378	24.3
85.02957	11.6
89.02438	22.3
97.06630	5.2
101.02454	14.2
113.02422	9.7
119.03499	7.7
161.04535	5.8
164.11635	8.6
183.10294	38.5
206.04553	7.4
225.11385	9.3
226.11688	8.6
261.15964	4.8
313.26059	4.6
329.15936	7.2
382.93661	6.0
388.16837	75.5
389.18060	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98829	100.0
69.85785	1.5
96.96011	0.8
122.12437	0.5
142.07100	0.5
162.83934	0.6
164.83586	7.0
164.84711	0.6
286.68320	0.6
329.17307	0.9
387.97128	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53190	0.6
59.01391	0.6
61.98829	100.0
70.67589	1.1
79.95737	0.9
96.95987	2.8
170.84528	0.5
197.94014	0.6
257.11591	0.6
311.58871	0.6
389.16495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.56123	0.7
88.06722	0.4
125.49184	0.4
172.89647	0.4
177.84290	0.4
228.71620	0.4
319.14651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39856	0.4
56.18222	0.4
56.18873	0.4
61.98829	100.0
70.41711	0.9
79.95767	0.5
80.96490	0.6
87.41869	0.4
96.96024	1.1
106.41632	0.4
110.44023	0.4
130.05908	0.4
134.03795	0.5
165.36440	0.4
177.01985	0.5
178.02713	0.5
211.13460	0.5
291.19583	0.5
366.67789	0.4
389.16516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88868	0.3
61.98828	100.0
69.71783	1.0
88.20837	0.3
98.21914	0.4
101.83920	0.3
160.84225	0.9
209.11874	0.6
211.13493	0.6
250.66135	0.3
285.86230	0.3
293.30011	0.3
302.09933	0.3
307.19229	0.6
314.72208	0.4
325.20322	0.6
329.23566	0.6
330.23700	0.7
351.99554	0.6
388.11539	0.4
388.19730	0.9
389.19189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.1
61.98838	1.5
62.33348	1.1
62.54585	1.0
69.13670	6.3
71.01385	5.5
73.02972	1.5
85.02943	2.0
89.02448	3.4
93.03459	4.1
94.03807	1.0
95.05011	1.3
101.02436	5.8
107.05045	1.3
113.02438	2.3
117.03451	1.1
121.02948	18.7
122.03756	12.5
133.02959	3.0
134.03741	67.7
135.04456	4.5
137.02458	4.7
139.04015	1.5
145.01405	3.1
149.02441	33.1
149.03598	2.2
149.06082	13.8
150.03224	85.9
151.03571	4.6
161.04507	1.6
164.04819	6.9
165.05562	100.0
166.05894	3.9
178.02704	26.7
179.03053	1.9
180.04291	4.8
185.11792	1.1
193.05055	91.0
194.05405	5.1
195.06622	54.8
196.06969	2.4
233.06177	1.4
239.07111	3.3
250.06288	3.1
254.09344	1.7
265.08707	1.8
267.06555	5.2
282.08963	8.9
297.07880	1.2
297.11115	1.5
341.10269	50.0
342.10550	4.9
370.54327	1.3
389.12653	2.0
389.18079	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.5
64.19565	1.3
65.45316	1.1
71.01370	7.8
72.99332	1.5
73.02950	3.2
75.72186	1.2
78.01334	1.2
85.02935	2.2
87.00874	1.4
89.02419	4.4
93.03469	3.4
101.02438	7.9
109.36843	1.3
113.02443	3.8
117.03548	1.3
119.03470	2.6
121.02947	12.1
122.03741	12.2
122.06123	2.2
124.00458	1.3
133.02969	2.6
133.47095	1.1
134.03740	61.3
135.04092	2.6
137.02422	4.1
142.22777	1.2
145.01424	3.8
149.02423	22.7
149.06079	15.0
150.03224	79.7
150.79095	1.1
151.03566	2.4
152.07211	3.2
161.04668	1.3
164.04802	4.7
165.05565	100.0
166.05959	3.8
178.02707	31.5
179.03061	2.0
180.04260	4.7
193.05051	85.2
194.05351	6.7
195.03838	1.8
195.06612	48.1
196.06953	4.0
209.11815	5.0
227.12782	1.5
239.07169	1.8
282.08957	5.1
341.10300	21.4
342.10681	2.5
347.17047	1.9
389.13394	1.9
389.18024	8.2
389.22128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1606
Annotation	Flibanserin
Peak:m/z	Relative Intensity
59.01380	4.3
61.98823	8.9
69.03448	1.8
70.58633	0.9
71.01382	2.1
74.02473	1.3
75.00895	1.0
79.95733	0.8
81.03481	1.3
85.02950	2.7
93.03440	0.8
95.05029	1.4
96.04523	1.0
97.02952	3.1
101.02460	1.0
102.23302	0.8
107.44617	0.8
108.77980	0.9
109.02937	4.4
111.04538	2.7
121.02935	1.7
121.09459	0.8
122.48897	0.8
124.01673	3.4
125.02454	12.2
133.02953	1.5
134.03726	1.9
135.04518	1.0
136.01651	2.0
137.02435	7.8
138.03159	0.9
139.03992	8.3
140.07246	0.9
149.06039	1.3
150.03171	1.0
151.03990	11.6
152.04765	3.8
155.08255	1.6
159.04504	1.2
161.02350	0.8
162.03261	1.1
163.04015	5.3
164.04836	4.3
165.05478	0.8
165.06757	1.1
175.04031	3.2
176.04803	3.6
177.05551	8.1
178.02742	1.5
179.03415	1.6
180.04312	11.2
183.07683	2.6
191.24149	0.9
193.05037	1.2
194.05846	21.9
195.06607	23.5
196.07083	1.2
206.05843	2.5
209.08159	4.4
221.08043	0.9
227.06744	3.8
252.08109	0.8
281.08368	1.2
283.09802	1.5
295.13351	1.1
299.09152	2.3
311.09262	2.3
329.10284	47.7
330.10764	4.7
341.10126	2.0
343.11871	2.4
345.16830	1.0
359.11356	28.6
359.15698	1.9
360.11676	3.2
373.12772	0.9
374.13708	34.5
375.13965	3.4
389.16068	100.0
390.16354	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
61.98825	2.5
69.43869	4.3
69.44270	1.7
69.75870	1.1
71.54074	1.1
75.00876	10.6
75.31916	1.0
80.00233	1.2
83.94276	1.0
96.96947	1.3
97.93138	2.6
98.60686	1.2
99.03881	1.1
114.93378	6.1
115.80740	1.4
128.88373	1.1
161.48225	1.2
165.12851	18.4
166.13211	1.2
234.49945	1.1
247.20619	12.4
273.18607	6.6
291.19659	100.0
292.20032	8.2
325.26590	1.5
329.15256	2.5
359.85403	1.3
389.12454	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10458	4.2
59.01366	12.5
61.98823	16.2
70.45426	10.3
82.72567	4.7
111.08139	12.7
160.46475	5.4
197.11830	49.3
205.42413	4.9
211.13319	12.7
274.11771	5.1
288.47754	4.6
291.19635	9.8
307.19244	10.3
309.20715	68.6
316.76508	4.4
329.17139	24.9
353.19653	100.0
354.19778	9.6
371.64041	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
56.51065	0.4
57.03450	0.9
59.01379	65.2
69.39682	1.5
71.01382	8.3
72.99303	0.5
73.02944	3.3
83.01388	1.7
85.02941	3.4
86.00098	0.4
87.00881	0.8
89.02439	3.0
95.01392	0.8
99.00886	0.8
101.02441	8.2
113.02465	3.8
119.03516	1.5
149.09688	0.6
161.04578	1.1
173.88121	0.4
186.96814	0.4
274.84457	0.5
316.07709	0.4
329.15961	0.5
346.86258	0.4
362.98486	0.5
371.17004	0.7
389.18158	100.0
390.18527	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47587	1.0
53.77763	1.0
59.01381	24.4
77.06927	1.3
89.65186	1.3
98.22676	2.3
99.08153	5.3
111.08237	1.1
111.09022	1.2
113.09741	2.8
183.17433	1.2
211.17061	1.9
221.15457	1.6
237.18623	2.6
239.16476	3.7
255.19672	28.0
257.17596	80.7
258.17899	5.3
281.17493	1.7
299.18658	9.6
317.19687	100.0
318.19977	8.0
327.18152	2.0
345.19180	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.4
61.98831	24.5
69.03436	1.1
70.09328	1.3
70.09671	2.5
71.05006	6.8
73.24737	1.0
74.21614	1.3
79.58508	1.1
80.91685	14.7
81.75119	1.2
83.05013	3.2
93.03451	3.4
95.01366	1.8
95.05042	2.0
96.95987	5.3
97.06596	1.5
98.03736	1.6
99.92592	5.3
106.04225	1.3
109.02962	1.8
109.06598	12.9
110.03764	1.3
111.04529	13.7
111.08107	2.0
121.06574	3.3
127.07659	3.2
134.95041	1.2
137.09648	1.4
145.06573	2.7
149.06070	9.2
149.09723	1.5
167.10742	2.2
179.10707	1.5
195.13838	3.1
203.14571	1.2
215.10487	3.5
217.12094	8.8
232.47725	1.3
235.13200	3.6
243.17403	1.4
245.19218	5.7
247.09515	1.6
249.11148	1.8
257.11563	9.1
258.12216	1.4
266.19708	1.3
271.13092	1.9
271.16931	1.8
273.14743	1.4
279.12021	1.3
283.16763	2.2
289.18079	100.0
290.18573	10.0
300.13361	2.8
307.19150	10.8
311.16266	6.0
329.17310	74.9
330.17731	8.1
389.15936	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26810	2.8
57.45199	2.6
59.01377	35.0
61.98824	5.4
65.41750	2.9
69.33138	15.3
78.91872	2.6
87.99279	2.6
97.06583	7.5
98.22703	4.9
99.92590	14.9
108.02193	3.4
110.03709	3.6
112.42895	2.6
116.07204	3.7
121.06643	3.9
123.04432	3.6
151.73492	2.7
163.11256	8.0
165.12813	4.4
175.11183	3.1
193.12354	3.3
203.10504	8.2
209.11821	13.7
231.09999	68.8
237.11307	66.0
238.11684	4.2
247.11943	3.1
249.11087	43.5
289.18082	6.9
291.10855	5.2
292.09250	54.3
293.10028	26.3
307.19128	100.0
308.19461	9.0
311.16214	2.8
315.25623	3.3
329.17288	82.8
330.17639	9.3
352.10141	3.4
372.10205	4.5
373.07001	7.7
373.15884	4.3
389.10220	17.0
389.18417	11.1
390.11209	3.9
390.26730	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.9
59.01376	45.8
61.98826	2.6
68.60674	1.2
69.03472	1.8
69.52122	5.9
80.02682	3.5
80.91667	5.0
81.03452	6.3
83.01388	14.4
83.05020	4.8
93.03469	1.8
95.05020	4.8
97.02930	4.2
97.06583	11.1
98.22672	1.5
106.04198	2.2
109.06599	2.8
110.03734	2.4
119.08643	1.7
121.06603	4.8
121.10213	1.6
123.04520	10.2
123.08174	5.0
125.09717	20.4
127.08557	1.3
135.04472	1.3
135.08170	4.8
137.06042	2.1
137.09702	12.3
141.12869	3.5
149.06081	3.3
151.11279	1.3
161.09726	2.0
163.11293	19.2
164.08366	2.4
165.09253	1.7
165.12851	5.4
167.10739	3.4
175.07358	3.7
177.12810	1.8
179.10747	2.5
181.12369	2.2
182.61441	1.2
185.11810	15.3
191.10783	5.9
191.14398	17.7
196.51608	1.5
203.10600	3.1
207.10245	15.8
207.32468	1.3
209.11819	84.8
210.12180	5.4
211.13441	2.0
217.16023	2.8
225.11263	8.6
226.11931	1.9
231.10013	65.9
231.12340	3.2
232.10414	3.6
233.11546	4.7
237.11163	1.8
245.19093	33.4
246.19427	3.4
247.16946	1.5
249.11182	2.0
261.18622	2.0
263.20197	2.3
269.98264	1.4
271.17007	3.2
283.16672	1.7
285.18353	9.2
289.18088	100.0
290.18484	7.5
291.12079	5.3
291.19601	4.6
307.19138	66.4
308.19513	6.7
311.16208	2.2
315.15933	1.9
317.17307	5.1
329.17297	18.9
330.17871	2.0
347.18420	1.9
372.94131	1.3
389.19507	17.1
390.19763	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.4
59.01377	55.6
59.81797	2.3
61.95160	2.3
61.98838	5.0
69.21635	13.2
71.01391	9.7
80.91711	2.7
83.05049	5.4
88.38870	2.7
90.21536	2.5
95.05035	3.1
97.06599	16.3
97.59725	3.2
100.07732	3.7
111.08170	6.0
125.09718	5.2
149.09741	3.7
151.11284	18.8
155.10851	3.7
163.11295	5.3
165.12828	22.7
175.00198	2.6
175.01495	14.7
175.04022	4.2
177.12842	2.9
179.10869	4.1
181.12357	37.8
191.10788	14.6
209.11810	100.0
210.12100	4.7
211.13405	6.6
217.08507	5.0
233.11627	10.0
245.19109	18.6
248.10426	11.2
249.06557	2.4
263.12640	3.9
263.20169	7.4
279.19589	4.6
285.18292	5.8
289.18155	19.5
291.19434	3.9
305.17450	8.9
307.19080	40.0
308.19495	6.7
312.70532	3.2
314.15231	4.1
317.17136	6.0
329.17233	10.8
332.16144	17.4
333.16559	3.6
372.22824	10.1
389.19229	22.3
389.22729	2.5
390.19708	3.2
390.23929	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47589	58.8
57.51073	52.0
57.74562	50.0
71.12164	83.0
97.06600	58.7
108.14782	60.2
114.33239	58.2
217.88895	56.2
223.13338	100.0
232.57362	62.7
318.21844	57.8
389.30908	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35405	21.6
52.47512	20.9
61.98829	51.2
69.38571	100.0
92.31879	20.5
97.38170	23.3
111.07785	22.5
134.94252	26.0
166.42867	25.7
282.64859	22.6
390.30273	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.269
Annotation	4651-67-6
Peak:m/z	Relative Intensity
56.94791	1.6
61.98835	12.1
96.03203	1.7
106.04242	5.5
107.53588	1.5
119.05016	7.5
121.02961	6.1
130.08746	38.5
133.06583	2.5
150.51186	2.4
152.99615	4.6
273.01392	2.0
273.22296	8.1
274.22662	2.2
287.23892	7.8
291.19730	2.9
315.26901	21.9
316.27533	2.6
327.26767	20.4
328.27274	4.2
343.26492	8.0
345.27960	48.2
346.28369	7.1
389.26974	100.0
390.30737	28.1
394.89853	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
61.98816	4.1
67.61397	4.2
69.48804	12.7
70.83780	3.5
76.24921	4.1
88.75519	3.9
97.06554	5.0
97.80284	3.6
112.00504	3.8
135.22766	3.8
152.99533	11.1
258.47980	4.3
261.18234	4.4
263.20120	28.8
264.20343	6.0
273.19281	6.8
273.22226	24.7
291.19598	16.5
293.21216	6.1
319.18887	4.3
320.19827	29.0
327.26843	38.6
335.18594	4.3
345.28070	5.7
361.27570	7.1
371.25870	100.0
372.26129	12.4
389.26938	86.9
390.27145	8.6
407.42084	4.5
412.27692	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98842	1.3
69.61922	3.9
89.89585	1.1
96.96030	1.3
104.36036	1.0
108.19978	1.0
151.37852	1.1
216.36575	1.1
256.33664	1.0
333.87302	1.0
389.23553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.0
61.98827	100.0
69.14053	3.7
78.95924	0.9
92.22755	0.8
108.12867	0.7
167.56436	0.6
197.07990	0.5
234.46143	0.6
327.21866	2.1
355.52728	0.6
358.61661	0.7
359.75870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73063	1.0
59.01374	3.3
61.32174	1.0
61.98828	100.0
69.18355	5.8
69.38235	1.1
86.93337	1.0
94.80193	1.0
99.20538	1.0
111.99174	0.9
131.53668	1.2
134.03743	1.4
197.52698	1.2
239.07329	1.1
250.99173	1.1
289.18164	1.3
334.35529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83491	0.5
59.01370	1.2
59.64158	0.4
59.82800	0.4
61.98827	100.0
69.20620	1.1
69.21020	2.2
79.95749	0.5
84.52119	0.4
89.69372	0.5
94.90260	0.4
96.96010	0.9
98.22683	0.8
130.25334	0.5
133.21777	0.5
138.19231	0.5
219.12819	0.5
307.00345	0.5
309.20621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78009	0.7
61.98830	100.0
69.35556	1.5
69.35954	2.0
70.08692	0.6
155.23274	0.6
239.16211	0.7
340.89023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72665	0.5
61.98831	100.0
69.69022	1.8
94.48602	0.6
98.22622	0.6
106.72822	0.5
133.43982	0.5
164.76991	0.6
196.40613	0.6
216.12209	0.5
295.99631	0.7
354.51154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63992	0.9
61.98831	100.0
62.85650	0.8
65.50843	0.9
69.14360	4.1
69.14764	2.3
70.84470	0.9
84.96777	0.9
85.66618	1.0
104.56956	1.1
152.35913	1.0
169.30376	1.0
189.99055	1.0
217.99054	0.9
227.18707	0.9
250.58458	1.1
284.75073	1.0
394.70532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.08
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26455	0.7
57.03454	1.6
59.01379	100.0
60.01709	1.2
61.98826	2.6
69.03457	1.1
69.39098	2.2
69.39502	1.2
71.01380	9.8
73.02955	3.0
75.59277	0.7
83.01385	0.9
85.02946	6.1
87.00889	0.8
89.02441	3.5
93.63878	0.7
99.00896	1.2
101.02453	9.1
113.02442	5.2
119.03537	1.8
135.98357	1.7
161.04489	3.4
183.10306	2.0
229.05081	1.8
269.10233	5.0
271.08487	1.2
311.11432	1.9
331.17426	3.4
372.89514	0.8
391.16031	0.5
391.19904	8.4
392.20160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09866	0.5
59.01368	1.2
59.57608	0.5
61.98830	13.6
69.67888	2.0
83.72518	0.5
83.93073	0.6
84.93863	5.8
96.40077	0.5
99.92585	59.7
100.92603	3.1
100.93354	16.3
115.92081	20.6
116.92857	100.0
117.92863	4.7
165.12846	1.2
205.15887	0.8
229.01636	0.8
240.02628	0.6
247.20369	0.7
250.02640	0.5
260.05106	1.0
261.18481	0.6
277.34457	0.5
291.19641	3.8
292.19891	0.7
293.20483	1.2
304.04233	1.1
305.04782	0.5
307.08008	1.4
309.09464	3.1
309.20712	0.8
322.04993	2.1
323.05917	0.7
330.09851	0.6
347.13116	0.9
355.10178	1.0
369.07935	0.9
373.11105	3.8
374.11346	0.7
387.09235	2.8
391.12155	52.2
392.12338	8.1
405.10739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.1
59.01374	6.2
61.98832	1.3
69.80367	1.8
71.01395	2.5
72.99316	1.1
73.02959	1.7
78.95901	4.8
80.96505	1.7
84.76936	1.0
85.02956	18.4
86.70229	1.0
87.00860	2.4
89.02427	1.3
96.95963	1.0
96.96981	2.0
101.02448	8.1
101.06026	1.3
103.04015	8.8
103.92017	1.5
111.68108	0.9
134.03741	2.4
135.04517	4.3
141.00325	1.0
147.06635	100.0
148.06950	2.9
179.03491	2.9
191.02071	1.3
191.05701	2.4
204.98987	1.1
211.00073	1.3
216.99059	4.0
228.97614	1.1
229.05539	1.4
263.02237	0.9
309.11795	1.8
317.05386	4.3
331.08871	7.3
363.77856	1.0
391.04337	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.1
59.01380	14.0
61.98827	5.0
62.59426	2.1
73.02954	3.3
80.96533	2.6
85.02960	18.2
87.00864	4.5
97.12653	2.2
97.89278	2.2
101.02466	7.4
101.06068	2.4
103.04002	7.1
113.02438	3.3
113.06689	2.1
117.01945	3.0
134.03746	6.0
134.97639	2.2
135.04514	16.3
141.00218	2.7
147.06636	100.0
148.06995	4.6
149.05981	2.5
179.03485	11.5
179.83766	2.4
181.92654	2.6
191.01961	3.2
191.05630	5.3
216.99103	16.4
228.97601	3.0
247.95508	2.3
309.11868	3.9
317.05286	6.8
331.08826	13.8
391.04422	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15954	1.9
59.01381	100.0
61.98831	2.4
66.98962	1.8
69.08485	6.8
69.08905	7.0
71.01370	13.5
73.02947	8.7
80.01823	2.1
82.95422	6.5
85.02985	4.6
85.85512	2.3
89.02454	10.2
95.66305	1.9
98.21885	5.6
99.00892	4.0
101.02448	8.8
108.02185	9.2
108.97224	1.9
109.02977	3.5
113.02477	6.2
119.03514	4.1
121.02981	3.6
123.04547	7.1
135.04494	14.7
135.98357	2.3
136.05299	3.1
145.02946	5.1
147.04465	2.6
149.02451	6.5
150.03233	11.3
161.04576	2.9
162.03224	2.4
163.04021	35.8
164.04805	31.6
165.05560	5.8
176.04774	9.3
177.05402	2.5
178.06380	8.4
179.07114	8.3
188.26785	2.4
191.03473	12.6
192.04294	18.4
195.06622	5.0
201.06598	5.4
204.04254	4.0
207.06628	68.6
208.07016	3.3
210.05399	6.5
212.04736	4.3
216.08911	10.2
219.06635	10.2
223.07562	2.7
224.04860	3.7
225.05371	2.7
227.07126	4.5
229.06024	2.5
237.05573	5.3
237.07808	3.9
238.06299	2.4
239.03470	3.0
239.07109	17.1
240.04277	62.0
241.04781	4.1
244.08440	9.1
248.04857	2.5
249.05620	4.4
251.07123	5.6
252.04272	3.8
253.04877	3.9
254.05852	4.5
255.06622	16.6
256.07071	3.1
263.15964	2.2
265.05026	8.6
266.05792	7.6
267.06589	36.6
268.07040	5.7
269.08551	2.6
270.09006	6.4
277.04980	4.8
278.05804	2.7
279.06586	6.9
281.08231	2.9
282.08948	3.7
283.06100	26.4
284.06738	2.5
285.07684	3.0
294.05353	2.3
294.08887	3.3
295.06125	92.1
296.06403	7.5
297.07700	2.7
298.08459	58.6
299.08841	5.0
300.09912	2.2
309.07642	2.7
310.08481	62.1
311.08817	5.3
313.07513	2.0
313.10776	80.7
314.11246	7.4
325.07382	5.0
325.10828	82.2
326.11008	12.4
328.09564	3.3
340.09442	2.8
343.11835	93.1
344.12341	11.7
349.18387	3.0
357.13205	2.8
361.12936	39.9
362.13519	3.3
373.12918	39.7
374.13431	3.6
391.14029	6.8
391.19952	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.4
69.66310	8.6
75.00866	24.6
90.73690	2.2
95.05029	4.0
96.96975	2.5
97.93126	5.1
99.83533	2.3
101.97385	2.4
105.25574	2.2
109.06602	4.5
114.93416	6.8
121.10242	23.9
147.33421	2.2
149.09705	3.5
151.11290	2.7
171.10260	54.2
174.99255	10.9
180.05768	2.6
183.13914	5.4
195.84079	3.2
211.13441	3.7
211.65306	2.6
225.04410	3.0
227.06065	3.0
231.21208	3.9
261.43250	2.6
265.03870	5.3
269.07083	16.3
275.20142	81.3
276.20514	7.7
293.21207	100.0
294.21591	13.4
299.11615	3.5
349.17239	2.7
354.09793	4.8
391.18042	92.1
392.13345	5.6
392.18546	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
61.98813	1.2
65.40237	1.3
68.96304	1.3
69.20727	2.3
69.21120	6.2
75.00870	18.7
78.95877	1.5
87.81467	1.2
90.23975	1.3
90.67126	1.2
93.03460	4.0
95.05017	19.2
96.96939	1.6
97.93125	2.7
100.94133	3.0
114.93388	2.5
137.09726	1.4
156.73840	1.2
171.10243	2.7
195.13916	7.3
196.14612	2.1
223.13408	7.2
226.01624	2.7
245.65549	1.4
251.02400	1.9
253.99866	1.4
256.13242	1.8
265.03864	6.8
269.03845	1.3
270.00531	3.3
275.20145	3.9
279.05551	2.5
293.21228	100.0
294.08731	2.7
294.21500	10.5
309.20746	6.9
313.03595	1.3
331.18848	2.4
354.05707	2.9
354.09943	48.5
355.09998	4.3
391.17776	2.5
391.25049	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03453	1.2
59.01379	100.0
60.01720	1.3
61.98827	7.5
65.63271	0.3
69.03461	0.7
71.01381	16.7
72.99319	0.6
73.02943	10.5
75.00890	0.4
81.07122	0.4
82.95415	6.3
83.01384	3.7
85.02944	4.4
86.03272	0.4
87.00874	1.1
87.04527	0.7
89.02448	13.2
89.03017	0.7
95.01398	1.0
97.02933	0.6
99.00875	1.9
101.02443	15.6
101.03095	0.8
104.40504	0.4
108.02111	0.5
113.02454	7.8
119.03504	5.9
125.02477	1.3
129.10339	0.4
131.03535	0.8
135.04536	1.3
135.98399	1.0
139.11304	0.6
143.03485	2.0
149.04585	1.2
161.02481	1.7
161.04543	4.3
163.04012	1.0
164.07220	0.4
165.05525	0.9
167.10808	0.8
179.04308	0.4
179.05591	2.7
187.13390	5.4
193.05107	1.2
195.06714	0.5
207.06715	0.7
211.44727	0.4
226.11986	0.5
240.04305	0.8
295.06100	1.1
298.08554	0.9
313.11020	1.3
325.10852	1.0
331.17532	3.7
343.11969	1.5
349.18655	12.9
349.22668	0.7
350.19086	1.0
370.18475	0.4
391.15417	0.8
391.20215	3.9
392.22183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26145	0.9
57.03447	1.7
57.61981	0.8
59.01379	100.0
60.01707	1.6
60.54092	0.8
61.98822	1.3
62.93940	0.8
67.15470	0.8
69.35016	3.6
71.01385	14.7
72.99297	1.1
73.02942	5.4
75.00889	0.9
76.56837	0.9
83.01393	1.7
85.02954	5.7
89.02438	8.7
95.01375	1.8
101.02429	10.9
109.02934	3.1
113.02444	4.7
115.00360	1.7
119.03466	2.7
121.02953	3.0
122.03724	3.3
123.04526	1.0
124.01666	1.6
125.02445	4.3
130.08740	1.5
135.04510	1.4
137.02438	9.4
138.03221	5.2
139.04010	2.9
147.04514	2.0
150.03156	1.2
151.03958	3.7
152.04799	2.1
160.05293	1.0
161.04585	4.8
161.05814	1.0
162.03220	1.1
163.03949	1.5
164.04716	1.2
165.05611	5.9
169.12260	1.5
176.04648	1.6
177.05502	3.0
179.05550	1.9
179.07063	1.6
180.04268	2.6
180.39557	0.9
181.05055	5.0
193.12433	1.3
194.05824	2.9
195.06584	8.4
207.06616	1.3
209.08228	1.8
209.11833	1.4
211.13411	7.6
229.14449	10.3
282.19366	0.8
331.11780	4.5
331.17441	4.7
332.17859	0.8
345.13510	1.7
361.12988	7.9
376.15182	8.6
377.15613	1.4
391.19037	48.6
392.17719	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47301	0.6
57.03448	0.6
59.01379	100.0
60.01723	0.8
69.78855	1.5
69.79240	1.1
71.01382	9.1
73.02939	0.8
73.04083	0.7
83.01399	1.1
85.02946	3.8
89.02441	13.3
95.01366	0.8
101.02462	7.0
111.95763	0.6
113.02451	5.5
119.03493	6.4
127.11282	0.6
131.03590	0.6
143.03537	0.9
161.04570	2.5
164.07127	1.2
179.05641	2.4
181.58609	0.6
181.96483	0.7
211.13434	4.2
213.14894	1.1
229.14429	12.0
314.14374	0.6
331.17682	2.5
357.14554	0.7
391.19751	29.9
392.19852	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01888	0.7
57.03440	1.0
59.01380	40.7
60.01719	0.6
61.98812	0.9
69.03464	0.5
71.01385	14.7
71.01784	0.7
72.99306	0.8
73.02932	2.7
80.05035	0.3
83.01390	2.0
85.02950	6.0
87.00877	1.2
89.02446	8.4
91.04505	0.4
93.03464	0.5
95.01393	1.5
96.96028	1.4
99.00887	0.6
101.02441	10.4
102.02783	0.4
108.02168	0.5
113.02447	4.7
113.03608	0.4
119.02773	0.5
119.03518	2.1
121.02965	0.6
122.03750	0.7
123.04579	0.4
124.01690	0.5
125.09722	1.0
127.11281	0.9
130.08766	0.5
133.02908	0.6
133.12492	0.4
135.04549	1.0
136.05302	1.2
148.05336	0.6
149.02455	1.0
150.03226	8.8
151.03946	1.6
155.14404	0.5
161.04572	1.0
164.07121	0.8
165.05563	7.0
165.12836	0.3
166.08734	0.5
180.04225	0.6
181.05077	1.4
187.09833	0.4
190.35475	0.4
193.12419	0.4
195.06630	7.1
196.06958	0.4
209.11827	1.0
211.13394	5.2
229.14438	19.2
230.14769	1.0
231.16011	0.4
312.12424	1.0
331.17572	0.7
343.11795	2.2
357.14603	2.7
373.18390	2.7
374.17252	0.8
391.19720	100.0
392.08051	1.5
392.20062	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32447	0.5
58.36635	0.5
59.01377	100.0
60.01712	0.8
61.98823	0.8
69.25556	2.3
69.25960	0.8
71.01377	5.5
73.02946	1.3
82.68581	0.5
83.01413	0.6
85.02954	1.7
89.02445	1.2
98.21873	1.0
101.02437	3.4
113.02467	2.1
115.00418	0.5
119.03564	0.6
129.18404	0.5
143.04541	0.6
144.03061	1.6
150.00177	0.5
161.04588	2.2
162.02209	0.7
182.54436	0.5
235.89368	0.5
319.20230	0.9
331.17731	2.0
391.19476	3.0
391.27344	1.2
392.08069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81102	1.6
55.26326	1.7
59.01379	35.4
61.98826	1.8
69.03461	1.9
69.87402	4.7
70.15353	1.7
73.40437	1.9
75.00864	9.4
78.91892	3.3
81.03481	2.5
83.05038	4.1
84.02180	1.9
95.05024	5.1
98.22492	2.1
99.08142	5.1
100.68365	1.9
113.92615	1.9
114.93456	1.9
118.45224	1.7
121.10231	7.6
123.08205	2.0
125.09708	1.7
136.19148	2.1
137.09711	10.0
139.11302	4.0
145.39328	1.7
151.11308	1.8
155.10747	6.1
163.11247	5.7
171.10271	26.3
193.08478	4.2
193.12323	3.6
200.26810	2.1
203.10602	4.0
209.11832	23.3
231.09988	44.2
232.10272	2.7
237.14957	1.8
249.11168	28.3
250.11479	2.5
269.06921	4.2
275.20142	24.0
291.10895	2.3
291.19650	16.5
293.10001	13.1
293.21237	29.9
309.20697	100.0
310.20990	9.6
319.19168	2.4
331.18945	47.2
332.19336	3.4
354.09903	5.7
375.17963	2.3
391.17584	24.7
391.28989	2.1
392.28015	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.7
58.73952	3.4
59.01374	40.0
59.96257	3.4
61.98816	7.4
69.70294	14.8
81.03431	4.5
83.01378	14.2
83.05011	7.9
95.05010	6.6
97.06551	5.3
109.06607	3.9
123.04542	5.4
125.09759	17.6
139.11259	12.5
150.10257	3.9
163.11246	11.7
165.12857	21.0
167.10706	7.5
171.10168	4.2
193.15970	6.5
209.11813	100.0
210.12068	5.5
231.10011	44.7
232.94725	3.5
233.80630	4.0
247.20628	13.8
287.19846	8.2
291.19669	81.8
292.19934	9.1
293.21201	17.1
309.20724	97.6
310.21054	5.2
331.18802	15.5
334.80023	3.9
354.09869	10.6
391.21179	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48894	0.9
59.01384	7.8
61.98832	10.4
69.03461	5.2
70.67828	1.8
78.91906	1.3
80.91700	4.4
81.03883	1.0
87.47830	0.9
94.89616	1.1
97.02947	23.6
97.06618	1.4
99.92594	2.7
116.92867	3.4
165.12811	1.8
171.10280	2.6
178.02455	4.5
191.03253	2.8
193.12329	1.4
195.13966	1.2
203.26991	1.1
211.13286	1.4
218.26176	1.1
219.06412	3.5
219.40665	1.0
247.20668	1.4
261.11090	3.0
262.11850	100.0
263.12222	6.0
291.19650	13.2
309.20718	35.1
310.21094	3.4
322.12646	3.8
331.18915	39.1
332.19110	3.4
371.88998	1.1
392.28320	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01377	9.7
61.80321	1.2
61.98830	11.7
63.02602	1.0
69.17738	6.0
71.01353	2.7
80.91666	6.2
84.66786	1.1
97.02913	1.6
99.92567	2.7
103.10597	1.3
111.08133	3.2
116.07170	2.2
139.07628	6.3
141.45056	1.1
153.12878	2.8
155.10715	1.3
167.10751	2.3
169.12250	1.5
180.48009	1.2
181.12399	2.6
189.08936	2.2
192.96893	1.2
197.11835	1.6
207.13803	1.4
207.52644	1.3
209.11574	11.5
210.75833	1.2
219.09929	8.1
221.11594	2.3
222.08720	3.2
247.20651	2.8
248.10239	5.8
249.11072	3.1
253.10641	2.9
291.19543	11.2
294.09528	2.8
303.19379	3.2
309.20728	43.9
310.21106	5.6
313.17963	2.5
331.18921	100.0
332.19244	11.7
363.16489	3.1
366.09439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	12.3
59.01376	40.9
61.98807	5.5
63.80211	3.2
67.96297	3.2
69.77874	10.3
71.01369	6.3
75.00854	4.2
82.10958	3.7
96.95983	4.3
97.06578	6.7
98.22673	5.0
99.92570	13.9
105.30495	3.6
105.92535	3.2
111.08151	7.0
113.09711	4.7
116.92877	12.2
117.35258	3.5
151.11324	20.0
163.11284	4.6
165.12846	28.7
179.10747	6.8
181.12306	32.1
191.10780	14.6
209.11806	100.0
210.12201	5.5
211.13411	4.0
217.08459	12.4
233.11693	5.7
247.20752	3.7
265.21872	4.8
287.19913	5.1
291.19608	16.1
293.21207	31.5
309.20697	27.5
331.18814	14.9
391.20197	20.6
391.25201	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2486
Annotation	Xenimanadin A
Peak:m/z	Relative Intensity
57.03455	2.6
58.83487	2.0
59.01114	2.7
59.01379	34.3
61.98815	2.5
71.44960	1.9
75.00861	19.7
75.31792	1.8
78.29607	2.0
83.05022	2.9
96.96957	2.1
97.06561	2.8
109.06641	2.8
114.93422	3.2
121.06628	3.5
133.90785	2.2
151.11279	13.6
159.11726	2.4
165.75858	1.9
174.99249	3.0
177.12842	6.9
195.13860	4.0
203.10748	2.2
211.13458	3.0
222.08861	2.4
235.17059	17.6
257.17526	9.3
275.20169	31.1
276.20544	2.6
282.80206	2.3
293.21194	33.5
312.08875	4.7
329.24667	4.1
337.13257	8.8
351.14825	8.0
355.22678	4.3
373.23785	6.4
391.18030	31.3
391.24823	100.0
392.25156	15.5
394.13098	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36000	1.0
53.90537	1.0
58.02978	24.7
59.01374	3.1
61.98827	5.9
70.02972	28.2
71.02501	3.7
87.05633	3.0
95.02517	2.5
96.00917	33.0
99.92592	17.7
100.93363	3.2
113.03571	17.7
114.01972	48.8
115.92065	4.5
116.92857	14.3
131.04625	26.9
135.51753	1.1
178.76715	1.2
276.23273	2.1
278.99020	1.2
302.24872	3.1
347.26877	1.9
373.11090	4.0
373.24921	56.3
374.25412	8.2
387.09241	1.3
391.12335	6.3
391.25995	100.0
392.26364	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32632	29.8
59.01381	73.4
60.11609	37.4
70.79362	44.9
97.69684	41.9
99.76157	34.3
155.62202	42.8
255.23222	100.0
257.09378	37.7
326.53238	39.6
391.27325	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69136	23.8
59.01369	41.3
60.03187	21.8
67.20134	21.4
69.21907	100.0
69.22308	42.5
76.68254	19.7
86.52487	19.8
93.25828	27.8
117.37232	20.6
196.17775	22.3
252.55704	21.8
255.23276	48.8
256.23169	20.8
335.43866	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	1.9
59.01374	9.5
61.98829	100.0
64.10206	0.8
69.46437	3.3
71.01377	1.3
72.99275	1.0
74.02449	3.2
79.44411	1.0
81.39299	1.0
86.02452	2.0
89.02421	2.4
94.72867	1.0
99.05653	3.4
111.29610	0.9
116.92793	1.6
117.88319	1.0
118.41220	1.1
119.05344	3.1
128.03532	7.0
129.03867	1.1
143.04634	12.5
146.04588	1.4
150.03139	1.2
179.04596	2.7
195.51794	1.0
210.08835	2.9
217.00244	1.4
230.91626	1.2
254.07845	6.2
272.08871	8.1
288.11905	1.3
374.13928	2.4
392.14990	9.0
393.17282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58750	2.0
59.01379	100.0
59.84286	2.1
60.01705	7.9
61.98826	5.0
71.01378	30.4
72.99289	2.1
73.02956	11.3
78.95895	17.4
83.01353	2.2
85.02931	11.6
87.00860	2.0
88.04043	3.6
89.02444	28.6
95.01389	3.1
96.96919	2.8
101.02437	24.9
102.02740	2.5
113.02451	14.8
116.92867	2.2
119.03498	12.4
125.00163	1.8
129.10300	3.8
134.76845	2.7
143.03479	3.2
149.04585	2.7
149.06033	1.9
152.99658	3.6
161.04578	15.7
171.00658	6.7
179.05612	6.3
187.13371	4.4
188.13771	3.8
213.11311	5.3
214.04839	5.2
231.12357	5.2
332.17975	3.2
333.15579	3.6
349.18683	39.1
350.19031	11.2
392.18451	11.4
393.12503	3.0
393.17618	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.1
61.98828	100.0
119.63492	0.6
127.85861	0.5
127.86942	0.6
136.44568	0.5
141.81491	0.4
164.83574	5.2
234.16846	0.5
243.82751	0.5
257.43564	0.6
282.91553	0.5
339.70715	0.5
353.99100	2.0
355.98819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80818	0.9
59.01383	8.0
61.98830	100.0
63.99244	3.0
69.65184	1.9
69.65529	3.2
71.01360	1.0
74.47332	0.9
85.42110	1.0
87.25384	1.0
98.22602	1.4
99.92555	1.2
199.13376	1.4
207.10042	1.4
216.39328	1.0
227.12865	5.0
249.11050	3.8
253.53857	1.1
281.31387	1.3
289.04150	1.1
307.18784	1.0
325.20062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55941	0.6
60.60705	0.6
61.98831	100.0
69.68885	2.3
70.58177	0.6
79.03321	0.7
102.60184	0.7
110.54154	0.7
120.67727	0.7
141.45659	0.7
148.92285	0.7
159.98053	0.6
371.51746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73135	0.5
59.01377	1.6
61.98825	100.0
66.80850	0.5
69.10482	0.6
69.41335	2.2
74.01363	0.5
78.73417	0.5
86.56825	0.5
87.19804	0.5
89.32162	0.5
100.21391	0.5
111.86608	0.6
118.06674	0.7
175.07690	0.6
196.52411	0.8
207.51190	0.6
392.25836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98828	25.1
73.73553	1.0
78.95895	1.5
83.93083	1.1
84.93873	3.3
86.78664	1.0
95.45197	1.0
98.22655	2.6
99.92580	100.0
100.92622	4.7
100.93353	25.5
101.93418	1.5
110.98547	1.5
115.92073	46.0
115.92897	2.3
116.92854	94.7
117.92870	4.1
143.11450	1.2
154.80215	1.1
159.69832	1.1
225.18593	11.4
226.19090	1.5
262.06561	2.1
293.21216	8.2
295.21915	1.5
303.39935	1.0
306.05472	3.1
307.06512	1.6
333.31427	1.1
357.07455	2.3
357.11670	2.8
371.09509	2.4
375.12686	31.4
376.12823	6.6
389.10635	5.4
393.13788	26.1
393.19751	1.6
394.13892	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
57.03432	2.3
59.01379	100.0
60.01705	1.3
61.60179	1.1
61.98817	1.8
63.89339	1.1
69.88072	2.7
71.01382	43.8
71.01775	2.3
72.99306	2.5
73.02950	16.7
74.99850	1.0
76.01028	1.0
83.01372	2.8
83.04986	0.9
85.02949	11.2
87.00842	1.8
89.02444	60.3
89.44199	1.2
95.01359	4.5
98.21922	1.8
99.00879	49.8
100.01190	1.4
101.02440	24.8
113.01707	1.9
113.02449	29.1
113.63128	1.2
119.03494	16.7
131.03493	8.6
143.03465	3.9
149.04547	25.8
150.03186	1.9
152.20160	1.1
161.04558	14.3
165.05597	2.0
175.41420	1.0
179.05611	7.9
187.07486	1.1
191.05621	25.3
197.04498	1.2
233.06635	4.8
261.13495	1.2
265.08017	1.1
275.09219	1.7
393.12448	2.1
393.17465	41.9
394.13037	0.9
394.17944	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
57.03432	2.3
59.01379	100.0
60.01705	1.3
61.60179	1.1
61.98817	1.8
63.89339	1.1
69.88072	2.7
71.01382	43.8
71.01775	2.3
72.99306	2.5
73.02950	16.7
74.99850	1.0
76.01028	1.0
83.01372	2.8
83.04986	0.9
85.02949	11.2
87.00842	1.8
89.02444	60.3
89.44199	1.2
95.01359	4.5
98.21922	1.8
99.00879	49.8
100.01190	1.4
101.02440	24.8
113.01707	1.9
113.02449	29.1
113.63128	1.2
119.03494	16.7
131.03493	8.6
143.03465	3.9
149.04547	25.8
150.03186	1.9
152.20160	1.1
161.04558	14.3
165.05597	2.0
175.41420	1.0
179.05611	7.9
187.07486	1.1
191.05621	25.3
197.04498	1.2
233.06635	4.8
261.13495	1.2
265.08017	1.1
275.09219	1.7
393.12448	2.1
393.17465	41.9
394.13037	0.9
394.17944	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81702	1.1
53.09639	1.2
59.01383	12.5
62.90473	1.3
67.25813	1.6
69.54272	1.4
71.44991	1.4
71.77984	1.4
75.00874	16.2
78.95885	1.5
91.35295	1.4
93.91255	1.3
95.05032	4.4
96.96978	1.7
97.93096	1.7
99.92544	1.5
114.93353	1.7
128.14578	1.5
139.52414	1.4
171.10266	23.5
174.99283	3.1
195.13913	1.7
213.66994	1.4
227.97034	1.4
253.01450	1.3
269.07034	1.5
270.07462	1.3
277.21744	30.1
278.21960	2.8
281.10684	1.7
295.22760	100.0
296.23114	7.6
319.29346	1.4
329.14508	2.2
349.16885	2.7
355.94693	1.5
393.15497	2.3
393.19556	44.5
394.19974	5.3
396.38974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46833	0.4
53.37078	0.4
59.01377	100.0
60.01706	0.8
61.98837	0.6
69.37344	1.8
74.31815	0.5
81.73188	0.6
98.21892	0.6
134.03752	0.9
144.07570	0.4
161.02510	0.7
162.03273	1.0
191.65805	0.6
275.09402	1.7
313.07266	0.6
381.06580	0.5
407.41492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01884	2.3
57.03435	1.5
59.01381	33.1
61.98830	1.4
66.57066	0.4
69.15293	1.9
69.15700	0.8
71.01379	12.6
72.99287	0.8
73.02956	3.7
76.02757	0.4
83.01397	2.1
83.14410	0.4
85.02954	5.3
87.00879	1.6
89.02443	4.3
95.01384	1.2
96.96000	0.4
99.00866	2.0
101.02441	9.0
111.00854	0.6
113.02456	4.2
114.88683	0.4
119.03537	0.9
127.11279	0.8
135.03020	0.6
155.14424	0.4
161.04576	1.0
171.10287	1.5
181.05104	0.6
187.07773	0.5
206.19485	0.4
213.14952	3.9
229.14468	1.1
231.16013	37.7
232.16347	2.1
247.07234	0.9
275.09372	0.5
333.11151	0.7
333.19116	0.9
375.20160	2.1
393.21313	100.0
394.21640	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76217	1.2
55.56520	1.1
57.03452	2.2
58.65714	1.2
59.01377	20.9
61.72827	1.4
61.98831	15.5
67.65958	1.1
70.42054	2.8
97.02988	1.3
99.08157	1.6
99.92565	2.9
110.68626	1.2
113.09724	4.6
116.92908	1.4
129.09204	2.9
139.11295	5.9
147.11858	1.9
151.11356	2.1
165.12920	5.8
169.12338	3.3
171.10234	6.0
181.12296	2.2
183.13864	2.5
193.08444	4.2
193.12389	2.8
197.11787	8.5
199.13486	3.1
205.12206	1.9
209.11717	1.4
211.13351	14.4
215.10526	6.1
228.20746	1.2
233.11574	77.9
234.11900	4.4
237.08464	1.2
249.22212	1.3
251.11319	1.7
265.21570	1.8
286.63718	1.1
293.12430	3.0
293.21289	14.7
309.20447	1.2
311.22263	100.0
312.22488	8.3
315.19446	2.8
333.20401	9.7
393.22574	15.6
394.23163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.5
58.64256	1.1
59.01376	23.1
61.98813	3.4
69.42021	5.7
70.48859	1.2
71.54195	1.1
80.91677	3.5
99.08131	2.9
99.92570	8.5
111.08157	1.3
113.09734	7.9
116.92850	2.7
129.09209	5.9
139.11275	4.7
147.11740	1.9
151.11282	2.5
165.12843	5.4
167.10703	1.3
169.12303	3.9
171.10284	7.8
181.12341	4.5
183.13852	2.3
185.11768	1.5
189.98393	1.1
192.96181	1.3
193.08405	1.9
193.12321	2.1
197.11809	8.1
199.13383	4.7
201.11325	1.2
207.10039	3.6
211.13377	14.8
215.10522	4.1
219.10013	19.8
233.11560	41.2
234.11870	2.8
249.13574	2.7
251.11301	1.4
265.21808	1.4
289.17868	2.0
293.12537	2.9
293.18106	1.5
293.21185	10.8
305.04929	1.2
311.22250	100.0
312.22610	8.7
315.19287	8.5
323.05832	2.1
333.20444	34.5
334.20749	4.1
377.19351	3.7
393.22101	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15236	2.3
58.00589	7.1
59.01371	15.1
61.98833	66.5
69.88680	4.4
80.91694	13.2
81.63483	2.2
95.04962	2.3
98.21919	2.9
99.92596	8.7
101.89544	2.2
125.09715	6.7
127.07660	9.7
127.11282	7.8
141.09196	3.8
155.10831	2.6
165.09047	4.0
171.10266	8.9
181.08517	3.1
183.10027	8.2
183.13890	9.5
193.08449	29.1
195.10065	2.9
199.09895	2.6
201.11333	45.9
203.10634	3.0
206.30750	2.3
206.38258	2.1
209.81058	2.2
213.14915	2.7
213.85587	2.4
222.08630	5.7
223.09543	47.3
223.13156	9.9
233.11507	3.5
235.04066	3.2
241.09302	7.4
241.14420	4.6
263.12643	25.5
275.20132	2.7
278.11221	5.4
291.19720	3.6
293.21255	5.0
297.18256	3.6
299.21811	2.3
309.17203	2.5
309.20715	3.7
311.22302	75.0
312.22598	9.5
315.19247	14.9
333.20490	100.0
334.20712	7.3
335.01782	3.7
344.91034	2.6
359.02924	2.3
363.01541	16.2
377.19669	4.0
378.03784	6.2
393.06146	12.8
393.21420	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99804	0.9
54.06772	1.1
54.10450	0.9
57.03428	1.7
59.01380	14.0
61.98833	15.0
69.92715	1.1
70.64954	1.8
80.91673	3.0
83.05025	1.9
97.02946	2.0
97.06569	1.4
99.08169	2.3
99.92584	1.4
108.07927	1.0
113.09707	6.9
121.10242	2.1
122.93127	1.0
125.09708	1.2
129.09207	2.4
137.09763	1.1
139.11296	12.0
165.12833	3.1
167.10747	1.1
169.12364	1.0
171.10262	15.9
172.10492	1.4
177.12900	1.6
177.36824	1.0
183.13937	1.1
193.08459	11.8
193.12349	5.4
197.11771	5.0
198.11966	1.2
207.09932	1.6
211.13423	7.4
215.10487	6.4
219.10033	16.2
233.11577	11.3
267.09067	1.5
283.10016	1.0
289.17844	2.7
293.21219	16.3
311.22272	100.0
312.22546	9.1
315.19354	3.6
333.20468	23.4
334.20883	2.3
377.19473	1.6
381.82706	0.9
393.22476	15.6
394.22458	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60640	1.2
51.11086	1.4
57.03429	1.6
59.01385	18.1
61.98828	57.9
69.03435	1.2
69.05840	2.7
69.06245	6.1
93.41254	1.3
97.02972	2.4
97.94667	1.2
98.21866	3.0
99.08147	2.2
99.92599	1.3
104.58143	1.3
113.09716	4.5
121.10238	1.9
125.09700	1.4
127.11267	1.6
139.11296	25.8
163.11365	1.2
165.12859	2.9
167.10732	1.9
167.14456	2.0
171.10265	18.2
172.10521	2.0
177.12941	1.3
185.11960	1.5
193.08443	12.1
207.09964	7.0
211.13419	3.0
215.10518	3.4
219.10092	1.9
233.11588	22.1
233.69888	1.5
234.11842	1.4
248.10428	2.6
249.22147	3.0
262.11758	1.7
293.21237	42.7
294.21527	4.7
306.98773	1.6
309.20563	3.1
311.22266	100.0
312.22552	9.3
315.19357	10.4
324.08884	2.3
325.76251	1.3
333.20468	62.9
334.20859	6.6
355.49374	1.4
393.22446	12.8
393.27310	2.2
394.18326	3.5
394.22787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73954	69.8
70.85603	100.0
79.50317	66.8
119.92395	75.5
141.19896	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.7
60.01684	1.0
61.98830	2.0
69.69488	2.1
69.69834	1.0
71.01380	19.5
72.99309	0.9
73.02949	6.3
79.95734	43.7
80.82903	0.8
80.96518	3.5
83.01380	0.9
85.02945	3.5
87.00899	1.1
89.02443	25.3
90.02731	1.1
96.95976	1.0
98.22313	2.4
99.00875	2.3
101.02438	9.0
110.11697	0.8
113.02436	3.3
119.03519	1.1
122.03737	41.3
123.04097	1.2
125.02420	1.1
126.02715	1.2
126.79765	0.7
128.03525	1.3
130.08717	2.9
131.03532	5.6
137.02460	1.6
137.06087	7.1
149.04546	8.9
154.02707	2.8
160.04065	1.2
161.04729	3.8
162.05606	30.1
163.05904	1.6
174.05746	0.8
176.07182	8.4
179.05516	1.1
191.05576	2.5
201.99364	7.2
218.71973	0.9
233.98393	1.6
242.01273	53.5
243.01666	2.5
257.03650	3.2
272.02380	3.5
273.87677	0.8
278.02670	0.8
289.02679	1.6
310.77808	0.8
314.14011	8.2
315.14456	0.9
340.84726	0.8
349.18634	2.3
393.17593	2.8
394.09622	100.0
394.18121	8.3
395.09998	10.8
395.18826	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80686	0.4
59.01377	11.2
61.98801	1.5
62.09404	0.5
62.14066	0.5
69.32425	1.3
69.32806	1.2
69.63368	0.5
71.01376	6.8
73.02935	2.0
79.95735	33.8
80.96499	2.7
85.02941	1.5
89.02439	8.4
90.98585	0.8
92.05074	0.7
101.02441	2.6
109.88985	0.5
113.02433	1.4
119.03560	0.8
121.03002	0.9
122.03740	41.7
123.04060	1.8
123.88029	0.7
124.01707	0.7
128.03528	1.9
131.03496	1.6
136.01689	0.7
136.04077	0.7
137.02458	1.7
137.06076	7.0
149.04532	2.2
152.18256	0.5
154.02710	1.8
160.04071	1.3
161.04773	4.0
161.48631	0.5
162.05608	34.2
163.05943	1.8
173.04610	0.8
176.07162	9.0
177.07545	0.6
191.05592	0.7
199.88844	0.5
242.01277	62.4
243.01567	2.8
257.03638	4.5
265.08240	0.6
272.02304	3.3
314.13998	7.5
315.14261	0.7
393.17664	1.0
394.09622	100.0
394.18045	3.3
395.09915	9.0
395.18173	1.0
401.23740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28559	0.4
59.01383	1.3
61.30657	0.3
61.98829	100.0
62.84484	0.4
64.60680	0.4
69.55244	0.9
84.00906	1.3
90.63767	0.3
97.02969	0.5
99.92634	0.4
109.06604	0.4
113.09730	0.6
126.50965	0.4
139.11333	0.9
140.11684	0.7
152.01389	0.5
171.10330	1.4
192.08714	0.4
193.08470	0.6
207.10240	0.7
211.13495	0.5
233.11606	0.7
234.12024	0.9
262.11835	2.0
291.19763	0.7
294.21390	1.9
307.02206	0.5
309.20737	4.1
311.22195	1.8
312.22623	6.3
313.23380	0.5
316.19806	0.5
325.09903	0.9
331.19031	1.6
333.20529	0.7
334.20831	3.5
394.13760	0.7
394.18271	5.2
395.07446	0.4
395.18427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
61.98827	100.0
62.95467	0.3
63.59540	0.2
65.30811	0.3
68.12260	0.2
69.87859	0.4
69.88161	0.2
94.44763	0.2
97.02969	0.7
99.92607	0.4
106.56433	0.2
150.12328	0.3
163.11305	0.3
178.34015	0.2
181.46164	0.2
211.13443	0.3
291.19843	0.5
293.04642	0.4
293.21381	0.4
294.21527	0.5
307.06168	0.3
309.20703	1.3
310.05612	0.2
312.22397	0.4
315.19440	0.6
316.19745	2.0
334.20569	0.3
367.08319	0.4
394.18433	5.3
394.23026	0.4
395.07980	0.7
395.18991	0.5
395.24387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98829	100.0
79.19549	0.3
84.00893	2.2
111.08171	0.7
126.61105	0.3
139.11304	0.8
139.98315	0.4
140.11653	0.6
171.10350	1.2
193.08481	0.8
197.11864	1.4
211.13440	0.5
233.11728	0.5
234.11989	0.4
263.20157	0.4
294.21619	0.7
309.20810	1.5
310.21005	0.4
311.22272	1.3
312.22556	3.9
334.20908	0.7
343.65176	0.4
346.06717	0.4
394.18567	3.1
394.22906	0.8
395.18695	0.5
395.28366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71881	36.5
69.36307	25.7
70.70654	62.7
71.70449	30.2
78.95892	71.2
110.98522	65.6
117.52944	27.1
122.56078	26.3
159.79852	27.8
160.88860	33.1
345.12604	34.4
395.25623	100.0
405.63828	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50657	27.3
54.51043	30.4
57.86947	28.5
69.78964	100.0
71.08160	27.7
106.31824	35.3
106.43217	34.7
175.14478	34.0
206.84662	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09181	45.8
70.45982	100.0
77.00246	54.3
80.03625	49.6
89.19797	50.5
91.49395	54.3
100.97548	58.8
123.35320	65.8
160.43610	60.3
163.26878	61.3
272.90164	65.3
362.35394	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53396	33.5
69.21163	100.0
69.21561	50.1
71.61133	27.9
84.79111	30.4
98.22612	67.0
118.89956	41.7
130.66426	32.0
329.06491	34.5
394.30295	49.2
410.34225	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64087	1.0
59.01374	3.8
66.95214	1.0
69.27647	3.4
69.61120	1.0
79.08917	1.1
93.03445	9.0
117.03470	2.6
121.02898	2.5
122.37466	1.0
122.56966	1.0
127.00366	1.6
145.02953	3.9
160.01665	6.8
161.02388	1.5
173.02428	4.3
174.03157	1.3
193.06725	2.4
193.47243	1.1
196.05234	4.0
202.02699	1.6
209.06047	1.7
211.07562	3.2
211.13293	2.2
219.04471	2.2
220.05254	4.8
221.05988	4.1
225.05417	1.3
230.02107	2.1
233.11581	5.9
234.06827	1.3
235.03932	2.0
235.07584	1.9
236.04733	2.0
237.05521	8.9
247.03880	2.5
248.04752	3.0
249.05452	4.5
251.07310	1.5
261.11172	1.5
263.03482	2.8
264.04236	6.5
264.07816	2.6
265.05020	15.6
266.05701	4.7
267.06595	4.8
275.03345	1.5
276.04211	2.9
277.05130	5.0
278.02271	2.4
279.03571	1.1
279.06488	5.2
290.14404	1.1
291.19592	1.4
292.03632	2.0
293.04550	24.8
294.05261	14.3
294.08917	5.9
295.06180	9.7
295.09366	1.6
297.04086	4.4
304.03729	2.2
305.04562	6.5
305.07452	1.1
306.04907	1.4
307.06140	2.9
307.09647	2.4
308.06793	1.4
315.05124	2.6
321.04007	7.9
322.04706	14.9
322.08408	25.6
323.05478	14.6
323.09042	6.7
324.05841	1.3
326.07935	12.7
327.21759	5.8
336.06491	1.4
349.19879	5.5
351.05057	100.0
351.08679	6.5
352.05423	12.1
395.07751	8.9
395.20752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0768
Annotation	Aklanonate
Peak:m/z	Relative Intensity
50.10768	1.0
55.80170	1.1
59.01382	6.0
59.03640	1.1
59.87088	1.4
67.31374	1.2
71.43803	1.2
79.20367	1.0
81.86418	1.0
85.02942	1.1
93.03448	3.3
96.96017	1.8
97.23771	1.5
100.14530	1.1
123.60721	1.0
129.42421	1.3
132.02228	1.3
150.19044	1.1
178.96991	1.1
189.07013	1.1
191.05072	1.1
192.05817	2.2
193.06552	2.0
195.04559	1.5
196.05280	4.9
197.06123	1.0
197.25629	1.0
208.05229	1.8
209.06180	1.8
210.06915	1.3
211.07684	2.2
219.04514	3.6
220.05269	6.2
221.05998	6.7
223.03983	1.8
225.05634	1.8
233.05885	1.3
233.11546	2.2
234.06831	3.7
235.04010	6.0
235.07716	1.7
236.04695	3.8
237.05551	8.3
245.06015	1.2
247.03961	2.7
248.04784	6.5
249.05562	12.7
250.02925	1.4
250.06291	5.6
251.07278	2.0
261.05521	1.4
261.10803	1.3
262.06299	1.2
263.03580	2.5
263.07135	5.5
264.04297	13.8
264.07855	3.6
265.04956	16.6
266.05655	3.7
267.06677	5.8
275.03638	2.3
276.04163	3.9
277.05035	9.9
277.08173	1.8
278.02179	3.4
278.05380	1.2
279.06543	7.4
280.07281	2.2
289.05179	1.4
290.05838	4.7
291.03098	2.4
291.06567	4.3
292.03821	24.5
292.07202	3.5
293.01508	2.2
293.04541	24.6
294.05109	3.6
294.08929	5.1
295.06076	6.3
295.09702	4.5
297.04071	8.4
305.04532	3.0
306.05276	1.5
307.06119	26.2
307.09750	14.7
308.06888	18.2
308.10242	2.1
309.07388	1.6
315.05139	5.1
320.03214	3.1
321.04022	8.1
322.04782	3.8
322.08441	42.2
323.05511	2.8
323.09125	22.8
324.09570	1.5
326.08090	9.8
327.08322	1.2
327.21820	2.9
335.05560	7.0
336.06293	4.5
349.19934	2.9
351.04974	18.3
351.08765	100.0
352.05518	2.1
352.09055	10.6
380.05750	1.4
395.07706	39.9
395.20932	1.6
396.08221	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	31.7
60.46199	2.2
61.98829	3.8
64.78692	2.1
70.13577	4.9
71.01378	2.6
85.02934	4.3
87.15788	2.1
96.96049	2.8
98.21967	2.6
127.00388	2.5
193.06615	3.1
207.04509	3.5
219.04510	9.6
232.05121	2.8
233.05901	2.8
234.03218	6.1
235.03976	23.4
235.07701	2.5
236.04675	5.1
237.05573	10.4
238.02840	2.4
238.05389	2.3
247.04034	17.0
247.06270	2.3
247.07512	2.4
248.04671	5.2
249.05521	6.1
250.02682	2.5
250.06282	4.8
253.05109	5.3
260.04764	3.3
261.05640	4.0
262.02661	11.0
263.03476	39.7
263.06476	2.4
264.04160	13.0
264.07806	2.3
265.05032	26.9
275.03510	15.4
276.04260	8.0
277.05148	12.6
277.08609	10.2
278.02234	5.9
278.05814	9.8
279.03030	5.0
279.06555	8.1
280.07315	2.5
281.04562	6.6
289.05081	16.4
290.02405	13.1
290.05255	3.3
290.99969	3.5
291.03009	45.4
292.03635	14.8
292.06659	2.2
293.04553	35.1
293.08185	9.0
294.05109	4.2
295.06104	2.9
303.03021	15.8
304.03546	4.7
305.04596	11.9
305.07547	2.2
306.01810	4.8
306.05273	11.5
307.02524	5.4
307.06055	14.3
308.06787	22.3
313.88284	2.2
318.01767	18.8
318.05200	4.1
319.02472	33.7
319.05920	4.5
320.03073	8.8
321.04053	15.0
321.07745	8.1
322.04877	2.7
322.08337	7.5
323.09106	8.8
326.08072	3.1
331.02441	47.2
332.03067	7.2
333.03986	23.5
334.04849	20.4
335.05472	6.3
336.06387	13.1
337.06909	4.2
346.01123	28.1
346.04910	7.2
347.01877	40.4
347.05627	3.0
348.02441	7.6
348.06323	12.5
349.03549	2.7
349.07111	18.9
351.08670	5.9
352.05890	6.0
361.03488	41.5
362.04263	100.0
363.04935	19.7
367.08206	23.9
368.08295	3.2
376.05823	33.7
377.06525	28.7
378.06973	3.1
380.05362	7.4
395.07678	49.8
396.07956	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
60.50707	1.2
60.51048	1.2
61.17213	1.1
61.21794	1.2
61.98820	5.0
68.26105	1.4
70.19385	1.2
71.44864	1.5
77.87417	1.2
85.02938	1.4
85.92043	1.3
96.96075	1.2
103.56748	1.4
105.01967	2.2
116.92883	1.5
137.07306	1.4
148.82574	1.0
170.88350	3.0
191.05087	1.8
192.05779	3.7
195.04567	1.7
196.05290	21.1
209.06075	1.5
209.11790	1.9
210.06877	1.4
211.07651	17.5
219.04492	4.8
220.05264	14.5
221.06070	7.3
222.03102	1.7
233.06099	2.5
234.06824	2.9
235.03920	5.8
235.07642	5.7
236.04640	5.1
236.08331	1.4
237.05469	3.5
238.12695	1.3
247.04012	2.1
248.04701	2.5
249.05566	9.0
249.09213	3.1
250.02724	4.4
261.05576	3.1
262.06299	2.0
263.03403	6.6
263.06949	2.8
264.01620	2.4
264.04221	21.2
264.07849	13.0
265.04904	4.9
275.03360	1.9
276.04132	1.7
277.05078	4.3
278.02158	8.9
278.05765	3.9
279.03415	2.7
279.06628	28.3
279.09900	2.4
280.06912	3.4
289.05045	1.8
290.05713	3.3
291.02972	4.3
291.06256	1.4
292.03812	2.9
292.07275	2.3
293.04535	9.0
293.07800	2.2
294.05481	2.5
294.08954	23.6
295.09378	4.1
305.04697	2.8
305.08224	5.4
306.01639	4.8
306.05179	2.8
307.02332	5.0
307.06039	10.7
308.06781	9.4
321.03961	11.2
321.07700	4.8
322.04752	8.7
322.08414	100.0
323.09082	32.0
325.19995	1.8
326.07950	56.0
327.08212	4.8
335.01712	1.9
336.06512	6.6
337.07071	5.4
349.03464	1.4
350.04282	10.2
351.04807	1.7
351.08704	9.6
352.09436	1.8
365.06689	33.6
366.06854	4.5
380.04605	1.4
380.09055	26.7
381.09341	3.9
395.07483	20.5
395.11414	21.1
396.07538	2.1
396.11972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.3
60.32871	1.2
61.98837	2.6
65.61967	1.1
74.31342	1.1
79.02116	1.1
85.02970	1.9
136.99556	1.3
193.06581	3.2
207.04498	1.9
208.05270	1.6
209.05997	1.9
217.06540	2.7
218.03729	2.7
219.04492	4.5
220.05226	3.5
221.06139	5.9
222.06804	2.1
224.04460	1.4
231.04614	1.2
232.05284	4.7
233.06142	9.3
234.06825	8.4
235.04041	8.5
235.07597	15.0
236.04828	6.2
237.05545	12.2
237.09224	1.3
245.05949	5.8
246.03218	5.4
246.06828	4.3
247.03986	6.9
247.07622	13.8
248.04727	14.4
248.07445	1.6
249.05482	16.4
250.06293	14.1
251.06856	2.9
261.05704	8.2
262.06213	4.3
263.03485	19.2
263.07092	13.6
264.04224	11.3
264.07861	18.1
265.05020	28.0
265.08627	13.7
266.05368	2.9
266.09152	1.3
267.18518	1.3
273.05505	2.2
274.02756	10.2
274.05527	2.2
275.03564	4.1
275.07101	2.5
276.04224	18.2
277.04947	12.9
278.05832	32.0
279.06570	13.5
280.07376	3.8
281.23856	1.1
287.07455	1.4
289.05066	33.0
290.02228	2.5
290.05499	4.0
291.03241	3.0
291.06601	11.9
292.03735	4.8
292.07361	12.5
293.04523	33.0
293.08163	32.0
294.04904	4.2
294.08670	4.1
304.03778	32.4
305.04391	11.3
305.07800	2.8
306.05319	29.6
307.06082	19.4
308.06915	27.8
309.07269	3.9
313.05212	2.6
319.06030	21.9
320.03143	3.4
320.06555	4.1
321.04010	17.1
321.07608	100.0
322.08026	11.6
323.09262	10.9
335.05576	14.4
336.06274	11.1
351.04453	2.1
351.08725	40.2
352.09012	3.4
367.08200	52.2
368.08548	5.4
395.07703	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.077
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
53.42591	0.6
55.24565	0.6
59.01385	1.3
61.21922	0.6
61.98828	5.1
69.60748	2.5
161.52170	0.7
203.30009	0.7
210.03151	1.4
222.03218	2.0
224.04823	0.8
226.02599	0.9
234.03285	1.2
237.01945	1.5
237.05295	0.7
238.02759	2.2
249.05496	1.7
250.00026	1.2
250.02647	10.5
251.03323	1.2
252.04306	1.6
253.05031	4.0
254.02222	2.7
262.02640	3.6
263.03571	3.6
264.04211	1.3
265.05072	3.0
266.02203	1.9
268.03806	3.2
268.07211	1.0
269.04440	4.1
277.01334	2.3
277.04984	1.3
278.02194	36.7
279.02637	3.1
279.99872	1.1
281.04477	1.9
283.06116	5.7
284.06879	1.1
290.02252	10.8
291.02957	4.7
292.03699	2.5
293.01215	0.6
293.04510	16.1
294.01758	1.5
294.04910	1.6
295.02426	2.7
297.04242	3.9
306.01697	10.1
307.02399	1.7
308.06729	4.5
309.04013	1.5
310.04758	3.6
311.05270	1.0
320.03223	1.0
321.03992	34.0
322.01111	1.2
322.04437	3.6
324.06403	1.1
336.02829	1.6
336.06320	26.7
337.03339	2.2
337.06827	2.5
338.04095	1.0
351.05060	1.2
352.05939	5.9
365.02740	1.7
367.08194	3.9
380.05417	4.2
395.07678	100.0
396.07996	12.7
402.85556	0.9
413.15164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98822	2.4
68.51268	0.8
71.42625	0.8
74.88329	0.8
95.05042	1.0
102.25339	0.8
106.04298	1.1
107.05022	5.0
121.02964	1.3
123.04562	1.1
130.98270	0.9
149.09718	1.6
151.03984	8.1
199.11243	1.9
207.04591	1.6
209.12035	0.8
217.12399	1.1
227.12917	1.7
235.03882	4.6
236.04637	1.2
237.05577	1.3
245.04614	1.8
247.04019	2.0
248.04596	1.1
249.05606	1.9
250.02667	1.0
250.06326	1.7
251.03410	1.8
260.04913	1.8
263.03470	17.6
263.06232	1.3
264.04147	3.0
265.05087	3.0
266.05771	1.8
269.04745	0.9
275.03409	1.3
276.04327	2.4
277.05054	2.0
278.02258	5.9
278.05865	12.0
279.02979	5.6
279.06039	1.8
290.02167	2.8
291.03085	6.8
292.03711	2.8
293.04572	9.2
293.08246	6.5
294.05191	3.2
304.03793	1.4
305.04666	1.4
306.02002	1.5
306.05087	4.8
307.02527	8.5
307.05957	1.8
308.06943	1.1
319.02429	2.3
319.06055	1.4
320.03320	4.0
321.04059	12.0
321.07776	2.7
322.04797	7.6
333.03961	3.1
334.04938	2.4
335.01962	1.5
335.05630	3.5
336.06403	16.1
337.07111	12.9
347.05801	1.2
350.04272	2.4
351.04922	1.3
351.08768	7.9
352.05661	1.6
352.09528	14.1
364.05762	1.6
365.06647	50.2
366.06961	5.3
367.08463	2.1
379.08228	3.5
380.04434	1.8
380.09027	28.4
381.09464	2.9
395.07684	8.6
395.11407	100.0
396.07855	1.4
396.11746	11.7
396.15808	1.1
418.26007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.10362	0.7
61.70668	0.7
61.98832	1.8
70.18658	1.7
83.93381	0.8
98.01319	0.7
98.86599	0.9
109.28055	0.7
170.88402	1.0
196.05319	2.9
209.11833	1.2
211.07654	4.7
219.04456	1.6
220.05260	4.1
221.06021	1.8
234.06920	1.4
235.04012	2.2
235.07657	2.3
236.04727	1.6
237.05582	1.1
247.04074	2.0
248.04634	1.4
249.05515	3.9
262.06393	1.1
263.03497	5.0
263.07141	0.8
264.04321	5.6
264.07910	3.2
265.04868	1.6
275.03580	3.5
276.04114	1.9
277.05099	3.8
278.02261	2.1
278.05859	1.4
279.03293	1.8
279.06610	6.8
290.05765	1.8
291.03033	7.9
291.06387	1.8
292.03741	1.9
293.04614	3.9
294.08902	5.7
305.04550	3.7
305.08203	1.4
306.01871	1.8
306.05356	6.0
307.02545	13.4
307.06100	2.5
308.02921	1.5
308.06873	3.0
319.02600	1.3
320.03201	1.6
321.04034	9.2
321.07761	5.6
322.04807	10.8
322.08508	25.4
323.05289	1.7
323.09030	8.1
326.07935	13.1
333.04001	1.2
334.04608	1.0
335.01846	2.1
335.05606	2.6
336.06256	4.6
337.07123	19.2
338.07394	1.6
349.03540	6.2
350.04242	7.2
351.04874	1.4
351.08688	8.5
352.09576	1.4
363.05148	1.5
364.06024	3.6
365.06638	39.7
366.07007	3.4
367.08481	1.9
377.23456	1.2
379.08215	13.1
380.09015	17.1
381.09396	1.4
395.11407	100.0
396.11713	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
59.63461	1.4
61.98840	2.2
62.45684	1.4
68.68134	1.7
68.99812	10.0
69.33495	6.4
115.18111	1.6
116.68848	1.7
138.98958	1.7
196.05283	4.4
205.06633	3.1
211.07776	2.4
220.05339	5.9
221.06102	3.7
222.06931	4.9
231.08217	2.0
232.05324	5.1
233.06052	16.9
234.06885	5.7
235.04015	4.9
235.07666	2.5
246.06763	7.8
247.07648	6.1
248.04837	12.4
248.08382	9.8
249.05602	21.2
249.09009	3.7
250.03813	1.6
250.06323	10.6
260.04889	5.0
261.05548	13.8
261.09222	5.5
262.06284	6.1
263.03415	11.6
263.07117	7.8
263.10800	5.1
264.04315	5.1
264.07947	12.8
265.05063	2.7
265.08685	4.0
275.07227	6.8
276.04431	9.1
276.07852	7.6
277.05063	25.7
277.08179	2.4
278.02612	2.6
278.05792	25.9
279.03275	2.5
279.06549	8.6
289.05243	2.5
291.03317	4.0
291.06625	30.7
291.10083	3.8
292.04062	2.6
292.07361	51.1
293.04752	6.4
293.08096	39.4
294.05466	4.0
294.08914	8.7
304.07312	2.2
305.04776	2.5
306.02304	1.9
306.05447	8.5
306.09027	18.0
307.02615	8.3
307.06339	4.2
307.09723	100.0
308.03299	1.7
308.06952	4.1
308.10394	46.0
309.11029	2.8
319.09772	2.2
321.03979	7.6
321.07700	11.6
321.11383	53.8
322.04825	11.0
322.08484	28.1
322.11707	3.6
323.05792	2.1
323.09137	7.4
323.12939	18.5
324.13187	2.0
326.07907	9.6
333.04102	1.9
335.02261	3.0
335.09106	2.5
336.06342	2.1
336.09979	17.5
337.07095	11.9
350.04272	11.1
351.08719	3.1
351.12366	27.0
352.12711	2.8
365.06638	51.0
366.07153	6.3
380.08981	34.7
381.09540	2.9
395.07709	5.4
395.11459	89.5
396.11838	10.7
416.63431	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31853	10.9
56.66043	11.0
59.01367	44.4
61.98830	61.9
70.08502	11.4
71.01379	49.4
80.91679	14.8
82.43188	10.6
88.59542	12.3
91.46758	14.2
109.06574	37.3
109.38784	10.8
124.96671	13.9
136.70091	12.7
163.11296	18.4
171.10243	23.4
199.09645	29.5
207.10239	61.2
208.18736	12.6
211.13243	12.9
223.47627	10.7
225.11284	27.1
230.29019	11.1
251.20093	20.7
307.22614	12.5
321.49448	11.9
337.60706	11.8
395.28113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83248	0.6
55.01854	0.7
57.08183	0.5
63.49675	0.6
69.80512	1.6
75.34693	0.6
78.95906	11.9
81.43466	0.7
107.48490	0.7
110.98526	9.0
122.31265	0.7
163.35619	0.7
167.01147	12.1
183.01236	0.7
185.02242	3.1
198.97566	0.6
227.20157	100.0
228.20493	7.3
243.54269	0.7
311.16800	0.8
350.66132	0.7
377.26782	0.7
389.93530	0.7
395.22003	18.6
395.27438	1.0
396.22195	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84227	1.0
53.28614	1.1
54.04487	1.1
60.27539	1.2
69.88342	3.4
78.95909	11.5
90.57829	1.1
98.22633	1.3
99.72827	1.3
102.81292	1.1
110.98540	9.7
114.71302	1.1
126.58031	1.0
167.01146	11.3
176.24707	1.2
178.43584	1.4
185.02255	2.6
192.70483	1.0
196.15405	1.1
204.65366	1.0
227.20163	100.0
228.20566	9.1
311.16772	4.8
314.43561	1.3
321.45770	1.1
395.22064	22.4
395.27408	2.3
396.22455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2588
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03445	23.3
58.46589	1.0
59.01368	1.0
69.15334	6.7
78.95905	1.8
89.54692	1.2
118.46945	1.2
127.12440	1.1
138.36327	1.1
161.85272	1.0
163.11284	100.0
164.11607	4.8
219.13892	35.1
220.14206	2.6
262.22247	1.1
279.48480	1.1
298.62476	1.1
337.21780	3.7
395.25894	94.9
396.26370	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44405	5.8
87.76723	1.1
96.95994	2.0
98.22654	2.1
99.92583	53.9
100.92617	1.9
100.93359	3.5
101.81213	1.3
111.38654	1.4
115.92064	13.2
116.92852	5.9
118.89975	100.0
119.89997	4.9
119.90778	2.3
134.89502	2.8
135.89389	1.3
135.90248	35.8
136.90254	2.5
188.82022	1.3
203.40485	1.3
210.31021	1.2
360.13879	9.3
396.06790	2.0
396.11609	29.0
397.11710	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79897	0.5
69.55626	1.6
74.06320	0.5
77.63094	0.5
80.42245	0.5
83.93094	0.5
96.95998	1.8
97.93119	0.7
99.92584	52.8
100.92596	3.1
100.93365	3.3
103.91280	0.6
115.92068	6.5
116.92845	6.4
118.89979	100.0
119.89991	5.6
119.90771	5.8
134.89447	4.3
135.89273	1.0
135.90256	16.4
141.93645	1.2
150.89014	0.7
168.91794	0.5
356.33798	0.6
360.09705	0.9
360.13983	12.1
361.14191	1.5
396.11621	46.7
397.11917	7.3
397.22702	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79885	1.5
78.95898	0.9
96.96014	3.3
97.93124	0.6
99.92583	60.4
100.92599	2.5
100.93363	3.6
110.95499	0.5
110.98501	0.6
115.92070	5.3
116.92854	7.9
118.89976	100.0
119.89975	4.6
119.90775	5.5
134.89500	3.5
135.90244	15.5
136.90202	0.6
141.93617	1.1
150.88974	1.2
183.98474	0.6
244.83308	0.4
261.69238	0.5
360.13940	10.3
361.14102	1.5
396.11624	44.9
397.11877	7.1
397.22714	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00802	0.4
57.15753	0.3
58.75521	0.4
59.01369	0.6
61.98829	100.0
63.99252	0.6
66.85470	0.4
68.19843	0.4
69.50223	1.6
84.00903	1.1
101.66988	0.4
117.25454	0.4
123.84174	0.4
151.66563	0.4
153.12769	0.4
171.10184	0.3
174.99290	0.4
199.13417	1.2
217.00398	0.5
229.14772	0.4
232.05678	0.5
311.22220	1.6
312.22849	0.6
323.09045	0.8
336.21994	0.6
396.19998	8.4
397.08905	0.5
397.20590	1.1
397.25989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48516	4.9
50.92574	5.2
60.25160	5.6
62.77169	6.2
63.36904	5.1
65.41545	5.4
69.78092	17.4
69.78440	7.7
74.26419	5.6
96.96033	7.8
99.92589	48.6
116.54239	5.6
118.89989	100.0
119.90753	11.8
135.90268	18.6
193.76981	5.5
341.95016	6.8
360.13824	9.6
396.11615	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82431	13.4
55.42881	12.9
61.98835	16.2
69.08980	100.0
73.24974	13.7
78.27779	15.6
87.60967	12.7
89.42193	14.3
96.95977	25.9
98.22707	28.2
195.10931	15.8
236.61798	14.8
311.16843	21.5
394.09268	15.4
397.22491	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
55.42886	2.0
57.03441	4.8
59.01381	100.0
59.34580	2.5
61.98833	22.5
63.96238	3.2
71.01385	73.6
71.43631	2.8
72.99310	5.6
73.02950	15.4
79.95749	3.2
81.03455	3.4
81.46945	2.0
83.01390	8.4
85.02961	21.0
87.00877	8.6
88.98807	21.5
89.02444	51.0
95.01386	7.5
96.96023	18.4
96.96973	2.3
99.00886	7.7
99.92576	3.9
100.93327	2.3
101.02449	51.8
101.06084	2.5
111.00880	3.7
113.02459	29.9
114.05582	5.4
115.08830	2.5
115.92138	2.3
116.92871	27.7
119.03504	18.0
123.05622	4.4
127.00368	4.5
129.02008	3.0
133.05043	8.1
134.03772	22.2
137.02408	2.4
143.03529	4.5
144.03015	2.4
149.06094	3.5
154.06221	4.7
159.03081	3.3
161.04570	31.6
163.06114	3.6
169.06200	12.3
175.04030	5.0
178.02707	2.8
179.05565	3.6
191.07155	4.0
193.05072	30.1
209.72354	2.0
221.06615	7.7
274.94992	2.1
289.16592	30.3
353.16113	4.8
397.15088	6.3
398.05344	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26131	0.4
57.03449	0.5
59.01370	0.8
70.71425	0.5
73.02956	0.7
84.93743	0.4
94.46150	0.4
100.93340	1.1
101.02447	50.1
102.02794	1.2
115.92131	0.4
116.92853	0.7
119.03510	3.7
128.03560	1.5
146.04640	0.6
149.15305	0.4
157.72673	0.4
163.06129	100.0
164.06436	2.5
192.76335	0.4
214.86832	0.4
251.10370	5.0
397.16159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80201	0.3
63.97971	0.3
69.52699	1.0
69.53067	0.6
71.76542	0.3
73.02927	0.6
75.00858	0.4
83.86122	0.3
90.71716	0.3
98.22421	0.9
100.10349	0.3
101.02439	56.2
102.02800	1.1
102.05611	0.3
109.50424	0.3
109.69587	0.3
119.03506	5.4
128.03532	1.3
146.04582	0.5
151.77937	0.3
163.06120	100.0
164.06448	3.8
173.61636	0.3
251.10333	4.6
252.10826	0.3
253.11731	0.3
312.74704	0.3
353.13617	0.5
397.16183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20292	0.2
57.03447	2.0
59.01384	1.7
61.98818	0.6
69.61761	0.9
71.01387	1.0
71.87289	0.2
73.02935	1.1
83.01390	0.3
83.06440	0.2
85.02947	12.3
85.25171	0.2
87.00845	0.3
89.02468	0.4
96.96010	1.1
97.47018	0.2
98.21998	0.3
99.00856	0.4
100.04050	0.3
101.02439	6.1
101.06068	1.6
102.02760	0.2
103.04008	8.2
113.02444	0.2
134.03716	0.3
144.03017	1.8
147.06633	100.0
148.06956	3.1
167.74500	0.2
169.06215	0.2
193.05086	0.4
249.08784	0.9
267.09900	0.9
277.12961	0.3
283.92355	0.2
397.15710	3.3
397.49377	0.3
398.16165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.3
60.98772	0.4
61.98839	1.3
69.54411	1.7
71.01382	2.2
73.02970	1.4
75.25032	0.4
83.01389	0.6
85.02970	1.4
89.02441	0.5
95.01424	0.5
96.96021	1.3
101.02438	0.7
110.31589	0.5
111.00953	0.6
113.02490	1.9
120.99649	3.3
134.03766	0.6
163.04083	1.6
165.02837	0.4
171.10316	0.6
178.06421	1.6
193.08688	2.4
272.24710	0.4
279.03006	0.5
281.80692	0.5
308.03268	1.1
310.49286	0.5
323.05783	0.6
349.03915	0.5
382.06952	0.9
397.09470	1.3
397.15311	1.2
397.22672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48819	0.2
59.01375	0.9
59.59587	0.3
61.98829	100.0
69.90365	0.8
69.90763	0.2
146.58345	0.3
166.25127	0.3
243.04553	0.3
245.06140	0.5
281.04230	0.4
291.06738	0.9
324.06058	0.8
329.23376	0.5
335.05606	2.3
336.06064	0.4
339.08496	0.4
351.21695	0.4
398.10095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03532	0.4
58.77354	0.5
59.01379	17.9
59.03602	0.4
61.98829	100.0
65.90078	0.4
68.06707	0.5
69.15094	2.6
71.01394	1.3
73.02931	0.8
75.35004	0.4
85.02971	1.4
87.00887	0.7
96.96043	1.0
101.02456	1.3
110.87259	0.4
113.02474	0.8
159.81143	0.5
161.04562	0.9
232.86646	0.4
249.13440	3.7
291.14584	1.3
398.18958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1317
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
61.72481	1.2
66.38976	1.3
71.45039	1.2
74.66267	1.1
99.92577	79.7
100.92577	3.8
100.93365	3.7
115.14957	1.1
115.92073	8.7
116.92842	10.3
118.89971	100.0
119.89976	3.7
119.90764	4.8
134.89473	8.7
135.90253	23.5
220.88800	1.1
248.46350	1.2
262.37424	1.4
304.73807	1.3
362.15521	11.4
363.15671	2.5
398.13190	61.6
399.13345	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24019	8.8
59.86935	9.4
61.77254	8.6
62.37550	8.4
66.05891	9.2
67.36369	9.8
69.12346	64.6
96.96018	14.1
98.21788	18.1
99.92597	53.4
111.55869	11.8
118.89988	100.0
135.90248	31.6
173.96071	10.4
224.48254	10.9
225.49179	10.5
234.98000	11.3
276.49600	10.2
362.15625	17.0
373.44086	9.6
398.13354	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99526	78.4
63.99598	80.3
70.25505	67.3
75.39925	75.4
76.05412	68.5
77.59433	83.2
77.98445	73.3
88.86694	100.0
139.67276	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35938	1.2
55.01870	4.6
57.03447	19.3
59.01376	12.4
61.98820	10.9
65.20892	1.2
67.01869	1.9
69.43751	5.8
71.01381	10.6
71.05029	1.2
72.99303	5.4
73.02947	3.3
75.00880	3.5
78.34602	1.3
81.03462	3.7
83.01385	13.6
84.02172	2.2
85.02949	100.0
86.03257	1.8
87.00869	3.1
89.02441	2.0
98.22638	2.9
99.00887	4.9
101.02458	8.3
111.00881	28.1
113.02440	2.2
116.92841	1.4
117.03442	2.2
118.68613	1.3
119.05020	5.0
125.02428	9.0
127.00367	20.0
127.05141	1.6
129.01947	42.9
129.26056	1.3
130.08730	11.9
134.03751	26.4
140.07202	1.8
143.03479	3.3
147.03017	1.5
149.06107	1.9
151.42780	1.2
161.04536	3.1
163.04002	3.4
173.00990	1.5
177.01918	6.2
180.33511	1.3
187.02464	1.4
191.05582	3.4
193.05040	18.8
199.18263	2.3
205.03534	36.2
223.04581	36.7
223.06699	2.3
224.04886	1.7
227.14201	1.6
287.92258	1.6
309.13339	2.1
313.26175	2.9
363.16525	1.8
399.27133	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03448	21.7
59.01381	13.9
61.98819	4.0
66.47037	0.9
67.01876	1.7
68.99811	1.1
69.03473	1.4
69.13839	0.7
69.30984	2.7
71.01385	8.5
71.05036	0.8
72.99292	1.0
73.02943	3.8
75.00874	2.8
76.81431	0.8
81.03455	2.5
83.01385	11.5
83.05015	2.4
84.02159	2.7
85.02950	100.0
85.06580	0.9
86.03293	1.2
87.00861	3.1
87.04527	0.8
88.04038	1.2
89.02430	2.3
93.03485	1.3
95.05032	4.4
96.96038	2.2
97.02956	0.7
97.06572	3.0
98.22414	2.9
99.00867	2.3
99.04510	4.6
101.02451	6.8
109.06586	1.0
111.00152	1.6
111.00883	24.5
112.01202	0.8
113.02428	1.1
113.06082	1.6
117.03436	2.1
119.03455	1.3
119.04995	1.3
123.08114	1.2
127.00352	2.7
127.05102	1.5
129.01947	38.0
130.08757	1.4
133.02942	1.0
134.03743	19.6
141.05537	1.0
143.03436	1.8
147.02960	1.2
149.06068	1.4
149.09669	1.0
157.05055	1.7
159.06557	1.4
161.04539	2.2
162.03249	9.6
163.03845	1.7
167.10779	1.5
173.00899	2.0
173.04547	4.7
175.04070	1.2
177.04036	0.9
177.05563	13.4
178.02687	1.7
178.05904	0.8
187.02437	2.0
191.01999	8.3
191.05611	3.3
193.05054	16.9
194.05357	1.6
195.06596	1.2
205.03543	21.5
206.03896	1.3
219.06531	1.0
223.04588	18.6
237.07652	1.5
260.65616	0.8
287.10614	1.1
337.08862	1.4
355.15848	1.4
363.16431	2.0
399.09125	1.8
399.20438	14.8
399.25589	1.1
400.20883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29361	1.4
55.01869	7.7
57.03447	16.4
59.01380	32.0
61.98828	13.4
62.01722	1.8
68.99801	2.0
70.76308	2.8
71.01011	3.0
71.01380	39.8
72.99294	14.6
73.02924	3.3
75.00880	3.7
78.15711	1.4
78.95901	3.9
83.01391	25.3
83.05009	3.4
84.02166	1.9
84.34362	1.6
85.02945	88.3
86.03254	1.4
87.00857	5.6
89.02451	9.0
91.02227	2.7
96.96005	9.3
99.00876	4.9
101.02423	4.9
108.28174	1.6
111.00871	9.5
113.02428	3.9
115.00378	5.4
117.03478	8.9
124.35361	1.7
125.02426	1.8
129.01945	55.7
133.01434	4.8
134.03740	100.0
135.04309	2.0
136.19189	1.6
137.02504	2.4
143.03505	11.9
147.02972	6.3
149.06058	13.2
151.05098	1.5
152.99570	4.0
154.99910	8.4
160.01646	10.0
161.02455	1.9
161.04594	3.1
162.03235	1.8
166.49738	1.7
169.06113	4.3
171.10252	18.1
173.00906	37.0
173.05922	2.0
175.03983	21.1
178.02695	5.3
179.03525	2.0
191.01979	31.7
193.05048	78.1
194.05386	6.7
205.03519	1.8
215.07057	2.5
218.05864	3.7
222.62650	2.0
223.02716	2.4
223.04599	20.1
230.70776	1.5
233.08151	6.6
251.11266	6.0
261.07660	19.2
272.55453	1.6
349.05573	6.6
367.06699	16.4
399.09012	3.1
399.14014	7.1
399.20816	3.2
399.26431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.4
57.03441	15.7
59.01377	31.8
61.98812	1.5
65.94199	1.1
69.03435	1.4
69.36240	5.9
71.01385	32.6
72.99316	3.3
73.02946	8.9
74.02469	2.0
75.00879	2.9
78.95905	3.7
81.03487	1.8
83.01379	20.7
83.05035	2.3
85.02946	78.6
86.26915	1.2
87.00873	6.1
89.02438	13.6
89.03979	2.9
96.96016	1.6
98.21893	2.6
99.00888	4.5
101.02443	17.2
103.00388	2.2
109.02938	1.5
111.00889	21.0
113.02457	9.7
115.00356	2.8
117.03481	7.7
119.03512	6.1
121.06579	3.1
121.42591	1.4
127.00375	1.3
129.01935	43.7
134.03738	100.0
135.04103	2.2
137.02492	2.3
137.09724	39.5
138.10110	1.7
138.49391	1.2
143.03499	11.2
147.02991	4.6
149.06076	7.6
152.99574	3.9
159.03015	2.5
161.04518	11.3
173.00909	9.4
175.04007	2.5
175.11281	1.4
178.02704	3.1
179.05670	2.3
191.01978	16.1
193.05052	87.2
194.05417	3.9
195.06541	2.2
205.03555	19.1
205.32159	1.3
219.10233	1.3
223.02383	3.0
223.04579	54.4
224.04822	1.6
230.25752	1.3
239.94633	1.3
319.61252	1.3
323.07635	1.3
399.12286	2.5
399.16995	6.6
399.21024	2.3
399.25778	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03449	2.2
58.00593	1.3
59.01378	100.0
59.16599	0.4
60.01695	0.8
61.98838	1.3
69.03456	0.6
69.53817	1.4
69.54169	0.8
71.01380	62.9
72.01736	0.6
72.99313	2.6
73.02946	6.1
75.00898	0.6
83.01389	4.2
85.02950	15.6
87.00875	2.9
89.02444	65.8
90.02780	0.9
91.51714	0.4
95.01381	3.9
97.02938	0.7
99.00875	2.7
101.02442	41.7
102.02767	0.8
113.02451	26.3
114.02815	0.5
118.77431	0.4
119.03503	31.6
120.03836	0.8
121.79791	0.4
125.02415	0.8
129.63651	0.5
131.03493	2.6
137.30804	0.4
143.03471	3.8
143.54082	0.5
149.04515	2.0
159.02979	1.1
161.04552	7.1
179.05600	5.1
284.86716	0.6
321.93851	0.5
399.23837	6.0
400.24051	0.7
409.84079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.2
57.03449	2.7
58.00608	1.3
59.01380	100.0
60.01722	1.2
69.03478	0.7
69.60130	0.4
69.67805	0.4
69.68153	1.1
71.01382	67.8
72.01724	0.9
72.99302	1.6
73.02943	11.5
75.00867	0.5
83.01388	5.5
84.02164	0.6
85.02952	20.8
86.00094	0.6
87.00886	2.8
89.02447	62.6
90.02781	0.8
95.01395	5.4
97.02946	1.0
99.00886	4.0
101.02444	48.0
102.02787	0.9
111.00867	1.0
113.02454	31.8
114.02803	0.7
116.25214	0.4
119.03503	30.9
120.03807	1.0
125.02470	1.3
129.01935	0.6
131.03482	1.5
143.03526	4.2
149.04564	2.1
159.02928	2.4
161.04568	12.3
179.05634	3.4
251.60400	0.4
268.31906	0.6
399.18887	0.8
399.23831	11.6
400.23871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01361	0.5
69.58097	1.4
71.01377	0.6
72.02161	1.0
87.09412	0.4
125.25501	0.5
141.09206	2.0
143.10767	2.2
167.14389	2.2
169.15938	0.6
183.13908	1.5
195.13893	4.6
197.15448	1.2
211.16968	1.3
213.14995	6.1
221.15488	1.0
227.16586	0.6
237.14937	6.5
238.15154	0.7
239.16553	4.9
255.16017	87.4
256.16360	6.8
257.17587	100.0
258.17953	7.3
355.17624	0.5
366.71594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98836	2.6
63.76492	1.9
68.14710	1.7
70.36312	1.6
71.05028	1.6
85.00423	1.7
112.33642	1.9
123.86909	1.8
135.04535	7.0
146.83676	1.7
156.86998	2.0
163.07579	1.7
170.87997	2.0
178.09996	4.3
191.10721	4.6
192.11568	4.4
224.58516	2.1
241.17929	3.0
255.15942	3.7
257.17542	3.4
265.21530	2.5
283.22778	16.0
292.16693	2.9
309.20590	4.3
321.24335	24.6
345.24356	21.6
363.25394	100.0
364.25797	10.7
381.26559	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98827	100.0
71.01380	2.1
71.05051	0.3
73.02941	0.8
83.01382	0.4
85.02940	0.9
85.63729	0.3
87.04525	0.8
88.04034	0.4
89.02500	0.3
89.57939	0.3
92.05061	0.8
95.01395	0.3
98.22708	0.6
101.02466	1.1
101.06080	1.9
102.06475	0.3
110.83315	0.3
113.02455	1.3
136.04077	0.9
141.91223	0.3
228.92574	0.4
246.13812	0.3
256.20419	0.3
261.05676	0.5
277.05222	0.5
278.05972	0.8
297.20758	0.6
304.40625	0.3
322.04688	0.6
337.07236	1.2
338.07388	0.3
354.88431	0.3
399.23465	1.5
400.23849	0.8
401.13437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01380	100.0
61.21331	1.1
61.98831	25.0
71.01384	41.8
71.44044	1.2
72.99301	2.2
73.02952	1.9
74.02486	2.4
75.00856	1.7
83.01389	3.1
83.40221	1.7
85.02950	15.2
86.03271	2.7
87.00866	2.4
88.04058	1.4
89.02444	61.5
95.01328	1.6
99.98969	1.2
101.02448	25.9
102.02776	1.5
111.00900	2.2
113.02453	22.0
114.17813	1.4
114.49440	1.4
119.03499	22.9
125.02463	1.6
129.01962	3.0
129.10356	1.4
131.03537	1.7
131.08298	1.8
138.03159	1.6
143.03494	4.8
149.04527	1.4
161.04568	5.7
173.10364	2.2
177.09340	1.8
179.05606	14.8
179.07161	4.0
193.05133	1.6
194.08200	10.9
197.04605	3.7
200.33089	1.3
205.03560	2.7
206.03928	1.7
223.04608	2.6
236.09290	1.7
239.09210	2.7
267.18234	2.9
285.19189	2.4
288.67361	1.2
303.20636	1.8
341.11618	1.3
343.60712	1.5
356.13550	16.3
357.14154	1.5
400.21951	5.5
401.14615	7.7
401.20404	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.64202	33.6
69.64613	23.5
71.01381	82.4
73.02946	20.5
85.02955	30.9
89.02442	14.1
89.08279	12.5
98.22614	12.4
101.02438	49.5
112.38701	11.1
113.02430	22.1
124.33463	10.9
161.04553	34.1
216.64389	12.2
400.24155	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03427	0.8
59.01378	12.7
60.01707	1.2
61.98830	4.3
70.67308	0.8
71.01378	11.1
72.01712	1.5
72.99270	0.5
73.02939	2.5
83.01398	1.4
84.98434	0.4
85.02943	3.2
86.03258	1.2
89.02444	5.8
89.18987	0.4
95.01395	1.0
97.35912	0.4
99.00859	0.8
101.02440	6.3
102.02783	1.6
113.02453	4.0
114.02791	0.7
119.03495	3.1
120.02185	0.5
120.03782	0.6
121.02953	100.0
159.02953	0.4
161.04567	1.8
162.04893	0.8
180.05791	1.0
181.06612	6.1
181.39832	0.5
209.04572	0.8
225.05600	6.9
306.05173	1.1
309.10275	1.1
313.07153	25.4
357.06134	10.1
365.06528	1.1
400.24313	1.8
401.08755	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03427	0.8
59.01378	12.7
60.01707	1.2
61.98830	4.3
70.67308	0.8
71.01378	11.1
72.01712	1.5
72.99270	0.5
73.02939	2.5
83.01398	1.4
84.98434	0.4
85.02943	3.2
86.03258	1.2
89.02444	5.8
89.18987	0.4
95.01395	1.0
97.35912	0.4
99.00859	0.8
101.02440	6.3
102.02783	1.6
113.02453	4.0
114.02791	0.7
119.03495	3.1
120.02185	0.5
120.03782	0.6
121.02953	100.0
159.02953	0.4
161.04567	1.8
162.04893	0.8
180.05791	1.0
181.06612	6.1
181.39832	0.5
209.04572	0.8
225.05600	6.9
306.05173	1.1
309.10275	1.1
313.07153	25.4
357.06134	10.1
365.06528	1.1
400.24313	1.8
401.08755	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01311	85.5
69.69002	87.0
70.20401	93.3
74.15228	93.2
78.94883	100.0
83.53931	83.8
87.84659	84.9
95.27830	84.0
96.84306	80.2
177.84845	92.1
341.22427	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73949	1.1
58.42237	1.2
59.01400	2.6
61.98825	6.0
63.45274	1.3
67.57689	1.0
67.64647	1.0
70.12149	2.7
83.32910	1.0
85.20701	1.1
101.20413	1.2
121.02973	7.4
125.96114	1.2
205.06613	2.2
217.06490	2.1
220.26457	1.4
221.06062	1.3
233.06056	5.9
240.04256	3.3
245.06032	5.0
246.06749	2.3
247.07468	1.8
248.04745	2.0
249.05544	3.6
251.07111	1.3
260.04822	1.5
261.05579	11.7
262.06107	4.0
263.07086	11.0
264.07687	3.0
265.08554	1.6
274.06467	2.0
275.07184	2.8
277.05164	8.5
278.05844	1.3
290.05777	2.3
291.06641	38.5
292.06976	6.2
293.04984	2.2
293.08203	8.4
294.05453	1.7
305.04471	2.1
313.07260	3.3
319.06598	1.3
321.04196	2.1
321.07562	6.6
322.08411	2.4
335.05563	1.6
350.04276	23.1
350.07983	3.2
351.04358	2.0
351.12299	2.4
365.06592	100.0
365.10391	8.9
366.06924	11.1
369.13589	1.5
383.14899	3.4
401.08795	3.3
401.16083	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62969	1.2
57.21172	1.1
59.01379	7.2
61.98831	3.7
63.65556	1.1
74.02457	1.5
74.34787	1.3
98.22646	3.6
121.02945	12.8
130.56128	1.4
181.06526	1.2
216.32506	1.3
221.06021	2.7
233.02859	1.2
233.06046	3.5
236.04851	1.5
248.04778	3.4
248.90492	1.3
249.05534	12.3
250.06013	3.2
259.04013	1.5
260.04724	1.6
261.05573	5.4
277.05032	30.1
278.05603	8.4
289.05014	4.0
292.35376	1.3
305.04568	11.6
306.05310	29.2
307.05615	2.7
313.07242	1.7
321.04001	16.8
321.07690	15.5
322.04532	2.0
322.07907	1.9
350.04291	12.5
351.04520	2.4
365.06631	100.0
366.07019	12.9
398.99945	1.4
401.08881	4.7
416.79553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66621	4.5
59.01384	24.1
61.98831	44.3
68.45580	5.5
69.26254	19.2
69.26662	10.9
69.46574	4.9
71.01397	12.7
85.02947	6.1
88.21630	4.5
101.02451	9.6
121.02957	96.9
155.10840	5.4
157.08766	5.8
171.10176	5.0
211.13464	10.5
225.05748	6.8
234.80193	5.7
267.09207	8.6
309.10178	100.0
313.07086	20.6
325.00052	6.3
327.21866	11.6
354.27115	5.3
357.06210	6.0
382.55701	5.0
401.08762	25.0
402.09070	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.1
60.29151	1.9
61.98818	9.6
76.64619	1.8
77.47555	1.9
96.25217	2.0
121.02966	22.4
158.58369	2.2
233.05911	2.1
248.04672	3.7
249.05602	10.6
261.05698	3.2
269.16333	2.4
277.05029	25.9
278.05661	6.2
289.04889	3.1
291.06641	4.2
305.04562	9.9
306.05405	23.0
306.08853	3.8
311.62726	2.4
313.07190	5.6
321.04019	10.8
321.07651	11.6
350.04236	14.4
359.15140	3.1
365.06610	100.0
366.06937	8.7
401.08701	8.9
401.16397	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.1
61.98829	26.8
69.03437	3.3
71.01375	13.7
71.43404	3.8
73.02952	7.6
77.04812	3.6
78.92365	3.4
85.02969	6.6
89.02431	5.2
90.60167	4.0
91.01898	45.3
93.03470	27.1
95.01362	4.2
101.02425	7.9
105.03483	3.9
107.05040	7.7
108.02162	6.4
109.02950	38.9
110.83941	3.5
113.02433	6.3
115.11824	3.6
117.78392	3.7
119.01340	6.6
119.05025	57.4
121.02949	64.8
121.77977	3.7
123.04575	18.5
133.02933	6.5
135.04556	5.1
137.02292	3.8
147.04506	19.3
149.02400	22.2
150.03255	11.7
151.04021	28.9
165.01924	26.8
175.04007	21.0
175.05360	4.0
177.01830	8.4
177.05548	17.9
179.03482	76.3
191.03589	4.2
193.05032	42.4
205.05002	7.4
206.05791	13.4
238.04782	9.5
297.07639	18.9
309.10233	4.8
327.08719	100.0
327.21680	9.6
328.09106	9.2
357.13382	16.7
393.25443	4.6
401.08527	6.1
401.21591	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87593	1.1
52.78041	1.2
55.01875	1.4
59.01377	71.6
59.20107	1.2
60.01689	1.7
61.98821	1.7
71.01376	39.5
71.04577	1.3
71.47778	1.3
72.99306	1.2
73.02960	2.4
83.01388	1.4
84.16856	1.3
85.02946	9.0
87.00871	2.9
89.02439	53.2
92.65594	1.3
95.01379	3.1
101.02438	19.8
113.02444	14.2
119.03496	16.2
123.84463	1.3
126.33256	1.3
131.03505	3.5
133.01283	1.7
143.03532	4.4
149.04590	1.9
161.03389	1.3
161.04483	6.5
179.05605	26.5
191.05612	25.7
341.10849	100.0
342.11368	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62484	0.6
59.01378	100.0
60.01707	1.3
61.46206	0.6
61.98835	2.4
69.57519	1.9
69.57906	1.1
71.01376	3.8
73.02952	1.0
85.02964	1.2
87.00903	0.6
88.04059	1.2
88.04568	0.6
89.02452	4.7
93.03471	1.2
96.96007	0.8
98.21998	0.8
101.02435	1.5
113.02464	1.3
119.03510	1.3
122.67403	0.6
129.10345	0.8
131.08308	1.6
135.04562	0.8
137.02489	2.0
138.03220	0.7
138.95187	0.6
146.03729	20.2
146.04836	1.1
161.06071	7.1
164.04788	12.2
173.10516	1.0
177.09229	1.3
179.07127	53.3
180.07524	2.8
195.60280	0.6
197.04619	0.8
239.09422	1.1
321.81241	0.6
401.05344	0.6
401.10303	1.0
401.14755	1.8
401.19980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.96634	0.7
55.01879	5.6
55.73373	0.6
57.03434	3.5
58.00602	0.9
59.01380	43.8
69.03457	1.2
70.49158	1.2
70.49490	0.8
71.01379	65.1
73.02944	30.4
75.00871	1.4
79.92975	0.6
83.01383	11.6
84.02172	0.9
85.02947	31.4
86.03300	0.8
86.94379	0.8
87.00883	2.6
89.02441	13.9
95.01379	4.1
97.02952	1.9
99.00876	14.8
101.02440	53.1
101.69803	0.6
102.02781	1.2
111.90621	0.6
112.01682	1.9
113.02451	28.3
118.69355	0.7
125.02467	1.9
129.01974	1.3
131.03525	1.5
143.03484	2.3
149.06087	0.7
159.02969	6.6
161.04553	37.5
161.16740	0.7
162.04982	1.4
173.09387	1.1
176.10353	0.7
185.09685	0.8
203.07162	1.4
203.10733	0.8
214.73108	0.6
221.11780	1.1
221.31776	0.6
234.20226	0.8
269.10300	68.0
270.10666	2.7
401.14502	100.0
402.14838	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49194	11.8
59.01377	100.0
61.98842	29.5
70.91070	13.5
71.01371	55.5
73.63941	11.7
75.07175	13.0
85.02980	23.1
89.02447	48.4
101.02459	38.3
101.99119	13.1
104.86264	15.0
119.03468	32.4
125.87402	14.3
179.05573	15.8
184.02266	22.9
189.87201	12.4
203.06726	16.8
259.10486	15.5
277.63318	12.1
302.10617	12.2
306.85141	12.1
341.10965	48.8
365.18243	46.8
401.15631	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1606
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
59.01370	4.9
61.98833	7.7
69.44930	4.6
75.00893	1.2
83.01384	4.4
84.30244	1.2
105.66013	1.1
110.25754	1.1
110.26566	1.2
121.02966	16.9
136.05339	2.0
144.62453	1.3
160.34245	1.2
181.06624	1.5
185.06094	1.4
186.06863	13.5
196.05229	1.4
197.06087	3.6
199.07697	3.1
211.13429	1.9
212.04854	3.1
213.09286	1.7
225.05602	2.6
240.04285	13.4
241.05000	8.6
265.07596	1.7
267.09238	2.5
272.06921	1.4
276.86328	1.2
309.10211	21.0
313.07196	4.6
327.21695	2.0
329.19022	1.2
339.16168	2.8
345.64905	1.2
351.12408	22.2
352.12653	2.0
357.06277	1.9
357.16949	3.3
369.13464	17.1
370.13724	1.3
373.29144	1.2
383.15005	24.8
384.15076	2.9
401.08911	4.3
401.16061	100.0
402.16382	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03448	6.0
58.00331	0.6
58.00591	1.9
58.02989	0.6
59.01377	100.0
60.01730	1.0
61.98825	0.6
64.36456	0.5
67.01887	0.6
69.03460	1.6
71.01380	66.2
71.05006	0.9
72.01718	1.8
72.99302	2.5
73.02944	12.9
74.02485	1.2
75.00874	0.9
81.03454	1.0
83.01389	5.6
83.05038	0.7
85.02950	22.7
85.03468	1.2
86.03271	0.7
87.00874	5.3
87.04514	12.3
88.04031	1.1
89.02443	62.2
90.02796	0.8
95.01376	4.8
95.05011	2.2
96.10281	0.5
96.96011	1.5
97.02947	4.3
97.06593	0.7
99.00888	4.7
99.04523	1.6
101.02438	39.9
102.02792	0.8
107.05007	0.9
108.02164	1.2
109.02934	1.4
109.06592	2.6
111.00871	0.9
113.02449	26.1
113.06062	2.5
114.02749	1.0
115.03998	2.4
119.02645	1.1
119.03494	19.4
120.03851	0.7
121.06541	0.9
122.03761	0.6
123.04519	1.5
123.08133	1.4
123.25401	0.6
125.02462	1.0
125.79234	0.6
129.01862	1.4
129.10378	0.6
131.03519	2.5
131.08258	5.0
134.03737	0.8
135.04504	0.9
135.08118	0.7
136.05272	0.7
137.06078	3.9
137.09674	0.9
139.07579	0.7
141.09225	4.0
143.03510	5.0
143.11891	0.5
145.06583	1.3
149.04506	1.5
149.06036	1.7
151.07617	2.4
151.11278	1.1
159.03035	3.3
160.08441	0.5
161.03200	1.1
161.04550	18.1
161.09735	2.5
163.07668	4.0
163.11301	0.6
164.08313	1.5
165.09145	1.8
167.07054	1.3
173.09334	17.1
175.11293	0.6
177.05600	0.9
177.09163	1.4
177.12828	0.9
178.09879	0.6
179.05614	7.8
179.10765	20.0
180.11150	0.8
185.09686	0.7
188.08540	1.1
195.13817	2.0
200.90196	0.5
203.07309	0.7
203.10757	4.5
206.09334	2.1
220.11012	1.0
221.11806	32.6
222.12085	2.4
227.12804	0.6
239.12874	8.3
247.08034	1.1
263.11227	3.1
269.10278	14.0
270.10547	1.5
315.07260	0.6
316.00055	0.6
341.10965	0.9
357.21271	1.0
401.09412	1.0
401.14185	17.7
401.18024	1.7
401.23001	1.1
402.14478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03448	6.0
58.00331	0.6
58.00591	1.9
58.02989	0.6
59.01377	100.0
60.01730	1.0
61.98825	0.6
64.36456	0.5
67.01887	0.6
69.03460	1.6
71.01380	66.2
71.05006	0.9
72.01718	1.8
72.99302	2.5
73.02944	12.9
74.02485	1.2
75.00874	0.9
81.03454	1.0
83.01389	5.6
83.05038	0.7
85.02950	22.7
85.03468	1.2
86.03271	0.7
87.00874	5.3
87.04514	12.3
88.04031	1.1
89.02443	62.2
90.02796	0.8
95.01376	4.8
95.05011	2.2
96.10281	0.5
96.96011	1.5
97.02947	4.3
97.06593	0.7
99.00888	4.7
99.04523	1.6
101.02438	39.9
102.02792	0.8
107.05007	0.9
108.02164	1.2
109.02934	1.4
109.06592	2.6
111.00871	0.9
113.02449	26.1
113.06062	2.5
114.02749	1.0
115.03998	2.4
119.02645	1.1
119.03494	19.4
120.03851	0.7
121.06541	0.9
122.03761	0.6
123.04519	1.5
123.08133	1.4
123.25401	0.6
125.02462	1.0
125.79234	0.6
129.01862	1.4
129.10378	0.6
131.03519	2.5
131.08258	5.0
134.03737	0.8
135.04504	0.9
135.08118	0.7
136.05272	0.7
137.06078	3.9
137.09674	0.9
139.07579	0.7
141.09225	4.0
143.03510	5.0
143.11891	0.5
145.06583	1.3
149.04506	1.5
149.06036	1.7
151.07617	2.4
151.11278	1.1
159.03035	3.3
160.08441	0.5
161.03200	1.1
161.04550	18.1
161.09735	2.5
163.07668	4.0
163.11301	0.6
164.08313	1.5
165.09145	1.8
167.07054	1.3
173.09334	17.1
175.11293	0.6
177.05600	0.9
177.09163	1.4
177.12828	0.9
178.09879	0.6
179.05614	7.8
179.10765	20.0
180.11150	0.8
185.09686	0.7
188.08540	1.1
195.13817	2.0
200.90196	0.5
203.07309	0.7
203.10757	4.5
206.09334	2.1
220.11012	1.0
221.11806	32.6
222.12085	2.4
227.12804	0.6
239.12874	8.3
247.08034	1.1
263.11227	3.1
269.10278	14.0
270.10547	1.5
315.07260	0.6
316.00055	0.6
341.10965	0.9
357.21271	1.0
401.09412	1.0
401.14185	17.7
401.18024	1.7
401.23001	1.1
402.14478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.09745	1.0
55.01862	2.1
56.38290	1.0
57.03447	5.7
58.02956	2.3
59.01379	100.0
60.01694	1.4
61.98819	2.4
65.40589	1.0
69.03423	1.3
69.28165	5.4
69.77856	1.0
70.02965	2.5
71.01382	57.3
72.99291	1.4
73.02941	9.8
81.03415	1.2
83.01369	4.3
85.02947	16.4
87.00857	4.1
89.02444	50.0
92.46857	1.0
95.01379	2.4
97.02950	1.6
99.00873	5.2
99.04488	1.3
101.01784	2.2
101.02444	40.4
102.02763	1.8
107.08592	1.5
113.02442	26.9
114.01949	3.0
119.03495	21.7
123.08170	1.6
125.02386	1.1
126.10591	1.1
131.03477	3.0
131.04552	1.4
143.03464	3.9
145.06572	2.1
147.07458	1.2
149.04561	1.4
151.07635	6.2
152.43062	1.2
155.03447	2.4
158.87566	1.1
159.02925	3.1
159.10599	1.2
159.11790	16.2
161.04547	17.9
161.09714	19.7
164.04752	3.2
171.10245	2.9
173.09340	1.6
177.12851	18.7
179.05559	6.0
179.07118	4.5
179.14348	2.0
187.07547	1.5
203.10794	12.9
221.11826	50.9
222.12134	4.7
223.13374	1.2
236.23950	1.2
239.12840	4.3
271.72372	1.0
286.16580	2.1
357.18893	2.1
383.17566	1.2
401.18051	50.5
402.18347	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39047	0.5
57.03448	0.9
58.00594	0.8
59.01378	100.0
60.01711	1.3
61.98834	1.2
62.16893	0.6
63.51336	0.6
71.01382	19.9
71.06612	0.6
72.99317	0.6
73.02943	1.0
83.01394	0.7
85.02936	3.2
87.00887	1.3
89.02442	33.1
95.01365	1.6
97.02955	0.6
101.02438	9.3
107.08707	0.8
113.02447	8.0
119.03492	10.9
125.09755	0.8
127.11310	1.1
131.03520	1.5
133.73256	0.5
143.03511	2.4
149.04582	1.6
161.04561	2.7
165.09352	0.8
171.10320	1.2
179.05615	8.7
191.05634	0.6
197.11900	0.7
201.11305	10.3
254.15657	0.6
309.20883	0.8
327.21689	4.8
333.02426	0.6
401.25543	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01855	1.8
57.03450	20.7
59.01378	100.0
60.09493	1.3
61.98822	5.7
69.51864	2.9
69.52214	3.3
71.01379	49.5
72.99291	1.2
73.02975	7.2
74.02482	1.7
75.00853	1.7
81.03452	2.0
83.01393	9.1
83.04999	3.1
85.02940	17.8
87.00880	19.6
87.05636	1.4
89.02441	53.7
90.18038	1.3
95.01369	4.0
95.05019	2.2
96.95998	2.7
97.02937	4.1
99.00893	3.4
99.04498	2.4
101.02443	36.6
109.02924	1.4
111.08151	2.4
112.04036	1.3
113.01694	1.9
113.02451	22.2
114.03224	3.2
115.04002	2.2
119.03498	25.9
121.06581	1.6
123.04525	1.5
123.08170	1.6
129.01891	2.0
131.03506	2.3
131.08250	11.9
137.06044	2.7
137.09680	5.4
139.07654	29.3
143.01836	1.4
143.03491	3.7
151.07611	2.7
153.09206	2.2
155.07130	2.5
159.03026	2.2
161.04523	9.2
161.09708	4.9
163.07671	3.1
165.09248	1.8
166.08731	1.3
167.03600	1.4
167.10765	4.7
171.10226	1.5
173.10474	15.1
177.09140	2.0
178.09946	1.3
179.05627	9.0
179.10776	27.9
181.08727	4.5
197.08125	2.3
197.11871	2.6
203.10765	32.2
204.11116	2.7
205.12389	3.2
206.09320	1.6
209.11823	2.5
216.67862	1.4
219.10295	3.7
220.10982	2.1
221.11832	48.0
221.13966	2.9
222.12086	4.4
239.09210	2.9
239.12823	9.2
245.11739	3.1
263.12784	1.6
270.17239	3.2
341.10583	1.8
341.14041	1.8
343.14001	5.1
401.10126	1.6
401.18011	15.4
401.22946	8.3
402.18311	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.98827	100.0
71.01382	1.6
71.44489	0.6
84.64703	0.5
85.02944	0.6
111.79173	0.5
113.02445	0.5
125.09717	0.6
128.10815	2.9
130.08739	22.6
133.02922	0.6
135.04541	0.8
149.73897	0.4
153.45775	0.4
157.08736	0.5
161.06065	0.5
171.10297	1.8
172.09883	0.8
190.06317	0.7
190.08832	0.5
191.00026	0.5
201.11333	2.2
205.08664	0.7
327.21570	3.2
329.13855	0.8
338.19711	20.0
339.19867	2.2
341.14145	0.5
401.17233	0.8
401.25720	4.6
402.12399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2329
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
54.06363	3.9
59.01373	7.6
61.98825	12.6
65.03967	4.5
69.72845	14.8
77.63497	4.1
81.21275	3.7
85.00445	21.8
95.57018	3.7
112.46288	4.1
117.79595	4.0
121.02934	23.2
125.09696	10.7
159.08305	4.4
187.14915	18.5
190.49937	4.1
213.12860	6.1
231.13928	25.3
301.02774	6.8
383.22232	5.5
401.23242	100.0
402.23657	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.2
61.98829	100.0
71.01389	16.6
71.43705	11.6
85.02961	8.2
87.03955	8.6
97.80708	9.1
105.15150	8.2
121.02938	44.5
124.91457	8.8
127.48724	8.0
133.01018	8.0
133.02985	8.7
134.03761	8.8
165.05600	15.3
178.02681	10.0
179.03612	9.3
306.07367	14.5
329.23328	13.6
344.12531	13.3
358.25040	8.0
359.14948	36.7
374.13336	10.1
402.12845	12.6
403.18018	10.6
408.84952	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48615	0.2
53.81880	0.2
55.68670	0.3
56.50790	0.2
59.01377	5.0
61.98826	1.0
62.11990	0.3
70.94559	0.4
71.01376	1.9
84.08195	0.3
85.02934	0.5
89.02441	0.9
94.04267	0.3
94.05399	0.3
99.63936	0.3
101.02454	0.8
108.02156	1.5
109.02908	0.5
115.02542	0.3
117.00430	0.8
119.00184	0.4
128.07233	0.3
130.08736	100.0
131.09081	3.0
141.00447	0.8
159.01500	1.7
160.01624	0.5
161.01166	0.4
161.04520	0.7
171.01492	0.6
174.99210	0.4
181.05023	0.3
187.01086	0.6
189.00710	0.5
201.02580	0.4
211.60513	0.3
217.00406	0.4
218.00551	0.4
222.99374	0.4
230.08859	0.7
232.08578	0.7
245.99919	0.3
258.08264	1.5
259.08139	0.8
260.01959	0.6
260.05646	0.3
260.08029	2.1
262.03793	0.3
271.08252	0.3
274.09955	0.3
275.99765	0.5
283.01517	1.6
295.01642	0.4
313.02637	1.4
316.04138	0.6
318.00616	0.9
319.00540	0.5
325.11752	0.4
342.01694	0.3
342.10971	0.3
343.10822	0.6
360.01736	1.2
361.01538	0.5
402.02838	2.2
403.02594	1.5
403.16040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	45.8
61.98819	100.0
63.08039	14.6
63.42223	12.8
63.51810	15.1
69.45338	54.1
69.45744	31.0
87.77410	16.0
90.12415	15.1
96.49551	14.4
139.85925	16.5
187.19611	15.9
192.04274	39.0
211.13461	22.8
222.51797	15.8
249.11255	19.7
261.50037	14.8
397.73926	16.4
403.17551	25.1
403.30637	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48169	0.8
57.03447	1.2
57.28362	0.7
59.01379	82.3
60.01706	1.0
61.98820	3.8
71.01386	6.2
71.04089	1.3
73.02932	2.1
74.02485	0.7
75.63646	1.0
77.22203	0.7
78.50964	0.7
80.63355	0.7
81.03458	1.0
83.05063	0.7
85.02945	2.6
87.00886	1.2
89.02441	5.3
91.81105	0.7
93.03445	0.8
95.70657	0.7
99.00905	0.7
101.02455	3.4
102.05621	1.1
107.01383	2.2
113.02439	3.3
119.03506	1.6
125.02439	1.5
131.08249	0.9
137.02405	0.9
137.09685	1.0
145.78146	0.8
151.00366	10.9
161.04578	1.6
161.09628	1.1
162.30832	0.7
166.02722	59.6
167.03050	2.5
173.09344	1.2
181.05067	100.0
181.08554	2.4
182.05394	4.2
188.73865	0.8
197.11963	1.6
223.09744	1.7
223.13579	1.0
224.77412	0.8
225.11284	1.4
229.96634	0.9
241.10840	3.1
283.11682	1.1
325.07141	1.3
331.11981	0.8
355.11920	1.7
361.18777	0.8
403.15631	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Seguinoside B
Peak:m/z	Relative Intensity
56.85662	0.3
57.03422	0.3
59.01379	22.9
60.01735	0.3
61.80442	0.3
61.98833	4.1
69.03457	0.8
69.32085	0.8
69.32469	0.6
71.01015	0.6
71.01382	9.8
73.02932	1.5
75.00875	0.4
81.03453	0.9
83.01358	0.6
85.02936	2.1
89.02444	12.9
96.96009	0.8
97.02959	1.1
99.00854	2.1
101.02442	4.1
108.02164	2.0
109.02951	100.0
110.03278	3.3
113.02456	2.4
115.04039	0.7
119.03488	1.4
121.02932	0.5
125.02444	5.7
127.04037	0.4
131.03535	1.7
143.03491	0.9
143.04572	0.6
149.04523	2.2
154.06206	1.0
159.02924	0.4
161.04613	1.6
161.09723	0.4
166.06367	0.8
179.05574	0.3
181.05002	0.7
181.08699	1.2
191.05605	1.8
197.04417	0.5
233.06667	5.6
234.07117	0.3
292.38873	0.4
293.08795	10.8
294.09372	0.6
306.07465	0.6
345.49185	0.4
403.11472	4.1
403.16940	2.8
403.20328	1.0
404.16507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77391	1.8
59.01373	11.4
61.90344	1.7
61.98831	100.0
75.00861	2.6
85.02929	3.5
92.13312	1.8
93.03468	5.7
97.70352	2.0
101.02496	2.1
103.75756	2.3
105.03456	5.6
113.02438	2.8
121.02967	25.3
122.03799	10.4
132.79764	1.8
133.02966	59.0
133.70071	1.9
134.03772	12.6
135.04512	5.3
137.02420	6.0
138.13986	1.9
139.27884	1.9
149.01248	3.1
149.02437	42.3
150.03230	91.5
160.01576	4.0
164.04759	8.8
165.05573	99.5
166.05826	4.5
174.12308	1.7
174.50256	1.8
175.07722	1.8
177.01920	20.9
178.02765	21.8
179.03412	5.2
180.04262	5.8
192.04291	64.2
193.04773	4.0
195.06619	36.8
207.06635	52.0
226.58086	2.1
233.06218	1.8
241.17641	2.3
241.50055	1.9
257.08273	2.1
263.07227	2.3
275.09268	2.3
288.48209	2.0
290.01312	2.1
292.07364	2.9
296.07022	3.9
306.07428	56.1
307.07739	4.4
308.06912	8.5
311.09213	6.1
323.09238	6.5
329.23416	3.0
340.09537	8.5
341.09949	2.3
355.11905	35.3
401.98380	2.1
403.13919	4.5
403.27121	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83916	0.9
59.01383	5.5
61.41141	0.8
61.98829	22.0
67.01891	0.8
69.09605	5.5
74.02696	0.9
83.01359	1.1
85.02964	1.9
93.03452	1.4
95.01382	6.4
97.02918	1.9
105.03429	1.4
109.02946	3.9
116.92844	1.8
121.02940	1.8
122.03722	1.5
123.00874	7.3
123.04578	1.1
124.01698	2.1
125.02449	9.0
129.09230	0.8
132.02222	1.1
133.02962	12.3
134.03743	7.7
135.04526	2.0
137.02414	4.4
138.03256	4.1
139.00365	2.8
139.04037	1.4
150.03233	27.3
152.01111	1.2
153.05557	1.6
154.02663	0.9
154.04013	0.8
161.02426	1.5
162.03181	1.4
163.03813	1.0
166.02711	1.9
166.99832	0.9
171.10342	0.9
174.54198	0.9
177.01981	4.5
177.05495	0.9
178.02690	10.0
179.03416	3.2
180.04269	2.6
181.04947	1.7
182.31955	0.9
193.05061	1.5
199.13367	1.8
201.11362	1.0
208.03769	8.6
209.04073	0.9
223.06125	7.2
237.18611	1.1
241.08661	1.2
257.17535	1.7
264.32047	0.9
281.17593	1.5
285.07645	10.9
306.07452	20.4
307.07648	2.1
313.07181	2.9
315.08694	2.7
327.08704	1.0
329.23376	3.2
330.11087	1.5
331.21246	2.5
343.08209	57.7
344.08582	6.6
357.09946	1.5
358.10562	52.4
359.11020	6.4
373.08115	1.8
373.12909	62.7
374.13425	6.2
388.11441	5.4
403.13962	100.0
403.26990	3.6
404.14325	10.3
404.19827	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03438	3.2
57.53522	1.3
59.01379	85.3
61.98841	2.2
69.43633	2.4
69.44024	3.6
69.78789	1.1
71.01381	13.4
72.99312	1.5
73.02938	2.8
83.01391	2.0
85.02942	3.5
87.00876	4.7
89.02440	10.7
97.06587	1.3
99.04533	1.5
101.02450	6.2
101.27579	1.5
113.02448	5.5
119.03469	2.2
119.08672	3.0
122.88286	1.3
137.09729	5.9
161.09692	3.1
163.07729	1.5
179.10742	6.1
181.08679	12.2
197.11821	42.2
200.12666	1.4
205.12422	1.7
210.41379	1.2
211.13443	6.1
221.11870	2.2
223.09711	4.4
233.11806	4.5
235.13324	1.9
239.12920	2.1
241.10805	100.0
242.11121	7.6
251.12854	3.7
263.12869	3.2
269.13882	3.1
283.11990	2.6
344.71176	1.2
359.17154	1.6
403.15820	17.0
404.16245	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01375	8.5
69.96809	4.9
69.97149	3.8
71.01402	2.2
87.00875	17.1
98.21980	2.5
99.00812	2.3
133.28198	1.9
139.31300	2.2
146.02516	13.2
147.03214	14.3
165.12929	2.8
166.60576	2.0
174.01930	35.4
175.02402	3.2
176.03476	3.1
183.13914	3.2
191.02315	3.4
192.03040	4.0
193.12352	2.5
206.04591	100.0
207.04965	6.9
209.08128	2.8
211.13405	53.9
212.13838	3.4
213.14963	7.8
232.98109	2.0
233.11964	2.8
237.04041	2.1
237.06433	6.1
238.07147	10.8
241.14400	20.3
251.12901	19.2
253.14476	5.3
259.13400	4.5
263.12845	4.1
274.26132	2.0
277.14554	3.7
281.13852	4.3
305.14023	6.2
323.14764	2.8
327.10022	2.3
359.16980	3.0
403.10458	3.4
403.15131	47.6
403.20090	2.7
404.15448	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03449	1.2
58.00591	1.2
59.01378	100.0
60.01712	1.1
61.98827	1.7
66.45717	0.4
69.03437	0.3
70.20086	0.7
71.01380	55.8
72.01733	0.5
72.99305	2.0
73.02943	2.2
74.02471	0.6
77.20519	0.3
80.91674	0.7
83.01388	2.2
83.67576	0.3
85.02950	9.7
87.00886	2.8
88.03983	0.3
89.02444	72.3
90.02771	0.9
95.01396	3.1
97.02974	0.8
98.22547	0.4
99.00875	0.8
99.05640	0.7
101.02443	30.3
102.02760	0.4
107.03453	0.4
109.06581	0.5
113.02448	23.1
114.02845	0.4
117.97292	0.3
119.03501	27.5
120.03848	0.3
125.02425	0.9
128.03534	1.7
131.03496	3.4
141.01666	0.8
141.37544	0.3
143.03465	5.3
143.04607	2.9
145.06151	0.4
149.04556	2.8
153.06737	0.3
154.06157	1.4
159.02988	0.7
161.04549	7.9
161.09744	1.8
172.08839	0.4
175.07416	0.4
179.05634	14.9
179.10786	1.9
181.08659	0.4
187.11221	0.7
189.09195	0.4
205.10451	0.6
205.12317	7.6
206.12503	0.5
210.08815	0.5
223.09843	0.5
223.13368	8.7
241.10893	0.4
241.14424	1.6
247.49982	0.3
254.07687	0.8
272.08942	1.5
288.06677	0.4
306.04474	0.4
306.07642	3.9
317.10953	0.8
318.03931	0.4
323.20676	0.4
371.28885	0.3
401.93607	0.4
403.14807	2.2
403.20468	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.5
56.96338	0.4
56.99820	0.5
57.03451	6.4
58.00590	2.0
59.01378	73.9
60.01697	1.0
61.98828	1.1
69.03450	1.4
71.01380	100.0
71.05028	2.2
72.01732	1.8
72.98951	0.4
72.99288	2.5
73.02945	31.4
74.02504	0.4
74.03276	0.7
75.00868	1.2
81.03466	0.9
83.01389	14.4
83.05019	0.5
84.02171	0.5
85.02949	42.7
86.03304	1.2
87.00871	3.6
87.04510	0.7
87.12395	0.4
89.02443	30.2
95.01392	9.2
96.95994	0.4
97.02952	2.2
97.06602	0.6
99.00877	11.5
99.04524	0.7
101.02443	88.3
101.06080	17.0
101.06752	0.6
102.02811	1.2
105.59736	0.5
107.05050	1.0
109.02972	0.4
113.02448	42.6
114.02785	0.7
117.97317	0.6
119.03503	12.6
121.06562	0.5
123.08174	0.7
125.02439	2.0
125.06107	1.2
128.03537	0.9
128.27411	0.4
129.01976	1.5
131.03513	1.5
132.56563	0.4
135.08139	1.1
137.09744	1.9
139.07651	1.3
140.49481	0.4
142.16904	0.4
143.03522	5.9
143.04584	1.0
145.06194	0.7
149.04559	1.3
151.11325	1.1
159.02986	9.6
159.04234	0.7
161.04558	52.0
161.09732	1.8
162.04855	2.3
167.10736	0.5
169.08661	0.6
175.07588	3.5
179.05624	3.7
179.10800	2.9
181.05008	0.6
187.11317	1.0
190.10036	1.7
193.12314	0.8
197.11827	4.0
205.03535	0.8
205.12321	3.6
213.06693	0.4
213.14975	0.7
223.13425	1.9
225.11372	0.9
241.14432	21.8
242.14859	1.7
254.07780	0.6
271.10944	0.8
306.07712	1.0
403.15872	1.5
403.19754	25.4
404.20099	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07302	0.7
55.01874	9.2
57.03447	8.9
58.00587	2.3
59.01378	86.4
59.36525	0.7
61.98825	0.9
69.03440	1.3
69.29019	3.5
71.01380	100.0
71.05017	2.7
72.01720	2.2
72.99318	2.4
73.02945	33.0
74.02476	1.2
75.00877	2.0
75.58020	0.6
75.92513	0.7
81.03479	1.0
81.99136	0.6
83.01382	15.1
85.02950	50.7
86.03314	1.3
87.00883	4.8
87.04507	1.4
89.02442	33.3
90.02804	0.9
95.01396	7.8
96.96023	0.9
97.02944	2.9
97.06602	1.1
98.22154	3.1
99.00869	11.1
101.02444	91.3
101.06077	15.9
102.02808	1.9
107.05032	1.8
113.02450	45.7
114.02786	1.1
115.03997	0.8
119.03491	14.2
125.02440	2.9
125.06146	1.5
128.03552	1.0
129.01933	1.5
131.03505	1.5
135.08182	1.8
137.09729	2.3
139.07611	1.0
143.03502	7.3
145.06213	0.8
149.04550	1.8
159.01791	1.4
159.02986	11.1
161.04558	59.5
161.09731	2.5
162.04929	1.7
169.33698	0.7
175.07632	3.6
179.05617	3.4
179.10788	2.8
180.19957	0.7
187.11285	1.5
190.09955	1.2
197.11833	3.6
205.12326	3.8
223.13408	2.3
241.14449	21.9
242.14874	1.5
269.10107	0.7
271.10965	0.8
306.07678	1.1
343.17902	0.8
403.15640	1.8
403.19800	26.9
404.20038	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.02950	0.4
59.01383	5.5
61.98831	100.0
71.01382	2.0
73.02959	1.2
75.00883	0.3
84.88203	0.3
85.02971	1.4
87.00891	0.6
87.23073	0.3
89.02466	0.7
90.52650	0.3
93.03443	0.3
97.06597	0.3
101.02463	1.2
105.03453	0.5
113.02479	0.3
113.41773	0.3
121.02914	0.5
125.09702	0.5
127.11284	0.4
128.10789	1.8
130.08740	12.8
132.02184	0.3
133.02969	3.9
134.03755	3.1
135.04544	0.6
137.02484	0.8
145.06247	0.3
147.04604	0.4
149.06100	0.4
150.03230	0.6
161.02422	0.4
162.03296	0.6
171.10330	1.1
172.09831	0.7
177.01968	1.2
178.02734	2.8
179.03502	1.0
180.04260	0.4
181.12527	0.4
192.04341	0.4
193.05064	4.3
195.93359	0.3
197.11868	0.3
199.13440	0.4
201.11340	3.3
207.06726	0.4
243.90181	0.4
285.13248	0.4
306.07455	6.3
311.22446	0.3
329.23370	3.4
330.23657	0.4
340.21295	13.1
341.21756	1.5
343.17746	1.2
359.15198	0.9
361.18713	3.2
403.14624	0.5
403.19843	7.5
403.27139	5.0
404.19766	0.5
404.27780	0.4
414.17130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69670	2.2
56.96598	2.3
59.01385	3.7
59.03218	2.6
61.98829	9.9
66.12051	2.4
68.14332	2.5
69.47527	5.3
69.47909	10.4
71.83544	2.2
72.99304	4.4
79.95708	2.6
96.96036	3.6
105.03463	3.8
133.02956	34.4
177.01947	11.0
192.04280	100.0
193.04771	5.4
211.13417	5.5
263.61429	2.6
281.12131	2.7
403.12454	4.8
403.18265	18.2
403.24921	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43539	6.1
55.16784	5.3
58.60429	5.5
59.97457	6.6
61.98819	21.0
65.16650	6.4
73.70846	5.4
74.41611	5.1
84.66348	5.6
85.81717	6.0
125.82861	6.2
133.02963	45.5
177.01918	9.4
192.04292	100.0
211.13402	8.9
403.17786	9.2
403.24753	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2488
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
51.58591	1.5
51.79873	1.6
58.63504	1.7
59.01366	4.1
60.83091	1.6
61.98829	15.4
62.67691	1.4
70.95843	2.6
75.76080	2.1
75.82374	1.5
83.05039	1.9
83.08559	1.7
85.00443	2.9
87.00896	10.8
92.92802	2.1
97.06583	2.3
104.11811	1.6
107.62872	2.4
124.29673	1.7
126.87207	1.8
135.08188	1.9
155.10844	2.1
211.13374	6.8
213.14978	3.1
239.16704	2.8
247.13411	2.2
313.25449	2.7
323.23636	2.8
331.26135	2.3
341.24777	9.5
351.84015	2.1
359.25879	4.2
367.13547	2.2
367.22983	4.2
377.62912	1.9
385.23779	14.7
386.24454	2.7
389.07330	1.8
403.24893	100.0
403.73547	2.0
404.25259	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
67.01893	0.5
69.77484	1.8
72.99309	6.1
80.00423	0.5
81.07121	0.6
93.73177	0.6
97.06582	7.4
125.06087	90.5
126.06439	2.9
143.07140	100.0
144.07504	3.8
174.55115	0.5
178.50661	0.6
277.21722	96.0
278.22073	8.4
403.14493	1.0
403.28445	3.6
404.28671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.2
61.98827	100.0
83.01427	0.4
90.24994	0.4
91.71335	0.4
96.96020	0.7
111.02023	1.3
128.03569	0.5
130.08751	0.6
135.04530	4.3
142.05063	0.4
160.06158	0.6
415.00238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13979	0.2
61.98828	100.0
69.69891	0.8
167.05113	0.2
264.34979	0.2
271.23764	0.3
279.79016	0.2
317.78363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55333	0.4
52.18980	0.3
59.01393	1.8
60.68883	0.3
61.98831	100.0
64.22044	0.3
69.06989	0.9
69.07397	1.4
71.01385	0.3
75.36324	0.3
85.02949	0.5
89.02462	0.6
92.73243	0.4
110.78110	0.3
148.78983	0.3
175.03348	0.3
177.94795	0.3
199.65488	0.3
218.04817	0.3
224.71397	0.4
235.56810	0.4
350.23413	0.4
405.21417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59072	4.1
57.03450	20.2
58.70481	3.8
59.01379	58.2
61.98830	38.9
70.13324	8.0
71.01393	18.8
73.02936	6.9
78.92928	3.9
85.02924	10.8
89.02432	13.0
96.96028	9.2
98.22594	4.3
99.04501	10.1
101.02440	17.3
109.02912	5.6
113.02431	6.2
117.78838	3.7
119.03497	4.3
121.02963	12.6
122.03748	13.2
147.04547	7.7
149.06049	3.8
151.82289	3.9
152.74091	3.5
153.03871	3.7
165.05502	23.3
171.10246	4.1
179.07123	8.3
195.13976	3.8
201.11356	5.4
207.06570	6.0
213.36143	4.2
291.93176	4.5
327.08557	6.9
329.23212	8.9
330.23618	7.1
344.12012	4.8
346.14090	11.0
357.13385	14.7
361.16568	100.0
362.16760	11.6
404.14050	8.9
404.27441	8.4
405.21170	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98829	100.0
69.23607	1.9
76.42393	0.3
82.15587	0.4
85.02930	0.5
106.58108	0.3
120.46485	0.4
129.99023	0.3
160.84198	0.7
165.07690	0.3
166.36380	0.3
171.10277	0.8
194.71822	0.4
208.59126	0.4
222.34917	0.4
260.85724	0.5
366.07144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45214	0.3
59.01375	3.9
61.98830	100.0
71.01382	0.9
73.02950	1.4
83.01369	0.4
85.02950	0.7
89.02477	0.3
91.89476	0.3
96.96008	0.5
101.02457	1.6
105.03584	0.3
113.02479	0.7
114.44279	0.3
133.02998	0.6
135.04439	0.3
137.02542	0.3
171.10179	0.4
178.02689	0.3
183.13879	0.5
191.05547	0.3
205.57043	0.3
209.11870	1.4
227.12903	0.4
252.84973	0.3
256.20206	0.3
270.17181	1.0
275.09161	0.4
306.07742	0.3
307.07736	0.6
325.10889	0.5
330.23715	0.3
332.21515	1.5
341.19592	0.9
363.20303	0.9
404.27826	0.6
405.21088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98830	100.0
69.98234	1.4
85.02963	1.5
96.96021	0.9
98.21932	0.5
100.46729	0.4
111.96664	0.4
122.76942	0.5
129.01970	1.1
171.10233	0.6
231.10345	0.5
253.14485	0.9
279.06604	0.8
325.03427	0.5
341.19357	0.5
367.08109	1.0
368.08682	1.2
368.24533	1.6
390.09348	0.5
393.47241	0.5
405.16043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58041	0.7
58.56324	0.7
59.01362	1.1
61.98829	100.0
74.75583	0.6
80.91676	1.2
85.02959	0.7
88.20995	0.7
130.08752	2.3
211.13437	0.9
322.20358	1.5
354.44702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
61.98828	100.0
69.10450	1.3
69.10846	0.8
71.01381	0.6
72.01434	0.4
73.02957	1.6
76.05836	0.3
83.01418	0.4
85.02930	0.6
96.96043	0.7
99.08204	0.6
101.02460	0.8
113.02428	0.4
129.01881	0.3
133.02972	0.5
134.03752	0.6
139.11328	0.8
171.10286	1.4
172.10648	1.1
187.10971	0.4
199.13551	0.4
201.11389	0.7
202.04945	0.3
209.11880	1.1
227.12889	0.8
264.91571	0.4
267.06519	0.6
270.17139	2.4
306.07394	0.5
310.08542	1.1
325.10803	0.8
329.23532	1.1
330.23715	3.3
332.21957	0.4
341.19931	1.2
350.23337	0.4
363.20367	0.7
368.25113	0.6
404.22287	0.6
404.27325	3.8
405.21222	1.2
405.27646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04760	0.7
59.01365	1.3
59.40203	0.7
61.98827	100.0
80.91672	1.2
105.68645	0.8
130.08743	4.6
322.20172	4.0
343.40887	1.0
366.06992	2.2
405.26407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01383	100.0
69.03422	2.4
69.07266	11.6
71.01384	21.4
71.31818	1.6
73.02951	46.8
75.00896	1.8
78.70665	1.6
83.01392	11.8
84.26084	1.6
85.02957	4.7
89.02465	9.6
95.01419	1.5
96.96011	2.2
98.21801	3.9
99.00912	2.3
101.02445	36.2
113.02464	15.2
119.03528	2.9
121.02971	7.6
125.02474	2.7
129.01961	3.2
131.03522	4.0
134.03726	1.8
137.02432	8.4
143.03523	2.4
147.04736	1.9
149.04559	5.7
161.04568	12.2
165.05554	2.7
180.04268	2.1
181.12381	4.2
194.05814	2.7
209.08188	2.4
221.06584	2.5
225.11252	11.6
226.11517	1.9
241.73175	1.7
243.12489	5.9
257.08090	1.9
263.38519	2.2
299.09634	1.7
345.13278	3.9
375.14313	2.9
390.16922	4.1
405.12943	1.9
405.18878	13.7
405.24863	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	5,9-epi-Penstemoside
Peak:m/z	Relative Intensity
59.01382	58.3
61.98827	8.6
69.97662	2.5
71.01385	14.3
72.99300	1.4
73.02948	15.0
82.34189	0.8
83.01406	2.2
84.00603	0.8
85.02945	3.2
87.00867	3.0
89.02449	12.4
93.03448	1.5
95.05007	1.0
97.02966	0.9
99.00864	1.3
101.02445	15.0
101.94476	1.0
108.02163	3.7
109.02953	2.1
113.02457	2.8
119.03516	5.7
121.02947	1.5
123.00906	1.2
123.04540	2.9
124.01639	3.2
125.02453	5.8
129.01921	1.6
130.84712	1.0
131.03456	1.3
133.03018	0.8
136.01671	7.4
137.02423	2.4
139.04007	6.9
146.53552	0.9
151.00320	1.6
151.04019	16.8
152.01154	5.6
153.01945	48.2
159.02977	2.1
161.03369	1.4
161.04568	13.0
161.96487	1.0
165.01903	2.9
166.02734	4.1
167.03497	41.9
167.20226	1.0
168.04279	15.8
177.01944	2.7
179.05571	1.9
180.04239	1.3
181.05066	14.6
183.06624	41.3
184.06920	1.4
192.04254	2.5
193.05009	1.1
195.02939	3.4
210.05273	4.2
221.06659	14.6
225.07643	9.2
243.08727	46.1
244.09006	2.6
287.09283	1.1
306.63464	0.9
405.13989	100.0
406.14432	9.3
409.13580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	11.1
69.03451	2.7
69.71449	5.4
71.01384	17.9
72.99322	1.7
75.58559	1.4
76.57175	1.3
81.03452	4.6
83.01354	1.5
85.02951	5.2
87.00874	1.4
89.02448	22.7
93.03462	1.6
94.98103	1.4
96.96000	1.6
97.02936	2.9
99.04509	7.4
101.02438	10.1
109.03004	2.4
111.04534	5.2
113.02444	8.3
119.03526	9.1
119.04993	1.7
121.02949	10.3
135.04549	5.2
137.06088	12.8
139.04015	17.6
143.03455	1.8
147.04536	2.7
149.02429	3.3
153.05573	3.1
155.01788	1.5
165.05573	20.8
165.17567	1.3
172.54378	1.3
177.01913	17.5
179.05615	5.1
183.06616	69.7
184.06914	3.3
192.04279	7.1
207.06673	1.8
210.05347	1.6
225.07721	2.2
243.08804	1.8
285.01321	1.5
345.11292	2.6
405.17838	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42264	0.4
59.01380	100.0
60.01725	1.0
60.15256	0.5
61.66407	0.4
61.98824	3.7
69.76954	1.6
71.01390	0.8
89.02454	0.4
98.22546	0.9
101.02459	0.6
121.03003	0.5
122.03741	0.6
122.43849	0.4
150.03255	0.6
153.01945	2.1
153.05667	0.6
160.91493	0.4
165.69795	0.5
168.04295	3.4
183.06635	17.4
183.08258	0.9
184.06943	0.6
189.41246	0.5
229.58943	0.5
266.23563	0.5
307.11139	0.4
405.17706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79317	6.2
59.01379	64.2
69.38218	12.0
69.38617	25.3
71.01378	24.5
73.02953	5.9
73.67778	5.2
83.52550	5.8
88.76871	5.4
89.02460	18.1
98.22646	13.0
101.02425	11.7
114.41640	6.6
119.03490	6.5
152.77100	6.9
162.67041	6.0
163.69118	6.2
181.12335	19.5
225.11343	100.0
226.11688	9.1
243.12473	13.2
332.46796	6.8
405.17224	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98813	9.5
67.20595	5.8
70.22771	13.1
71.01371	27.2
73.02943	35.7
75.00885	10.2
76.35884	6.1
85.02940	11.3
87.88937	5.7
89.02458	14.8
101.02441	39.8
102.15076	5.8
113.02425	11.6
127.49066	6.3
134.03725	22.5
137.02444	61.1
137.07507	5.7
149.04584	7.2
149.06082	10.7
149.34357	7.5
161.04544	7.8
193.05067	18.9
211.06010	11.3
213.09071	7.8
225.11304	11.1
243.12360	15.4
257.08115	18.6
275.08386	6.1
277.51849	6.1
318.09183	7.1
405.12079	14.8
405.17307	20.2
405.25159	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98717	9.6
57.13750	9.1
59.01373	100.0
70.19813	15.0
71.01373	23.0
77.70824	8.9
85.02944	9.5
89.02459	22.4
90.80738	9.9
100.59829	8.8
101.02441	10.9
113.02463	12.1
121.02930	38.3
125.02441	13.1
130.08727	10.5
150.05586	22.2
163.43716	10.6
165.05533	22.0
225.14902	10.1
230.63499	9.0
285.18155	19.6
325.87878	11.1
345.13309	16.3
390.16913	20.5
405.19525	46.1
406.19025	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53224	0.6
51.05862	0.5
51.25014	0.5
57.03434	0.7
58.02975	8.0
59.01377	21.0
61.98816	2.1
65.03957	2.4
69.28749	3.2
71.01373	5.2
71.85170	0.5
72.99305	0.7
73.02929	1.6
74.02471	14.7
74.89452	0.5
83.01404	0.7
83.05019	2.1
85.02953	2.3
87.05626	1.6
89.02435	5.0
89.79889	0.7
93.03428	0.5
95.01374	1.2
96.96008	3.7
97.04054	0.8
98.21853	1.2
99.05643	13.1
101.02425	3.0
102.69547	0.6
113.02460	2.4
119.03498	2.6
125.99589	1.2
127.03960	1.6
131.04619	3.6
137.02440	0.7
141.01953	3.7
143.04622	43.7
144.04985	0.7
160.00719	0.9
161.04561	0.8
165.01990	0.6
168.16664	0.6
177.03387	100.0
178.03630	2.4
181.12384	0.8
183.10381	0.5
197.04413	0.6
209.11859	1.5
222.04073	1.0
225.11249	5.4
227.12955	0.6
307.13956	1.3
329.11227	0.6
345.15491	1.9
405.12308	1.1
405.17447	6.7
406.17258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
58.00589	0.7
59.01378	48.6
60.01691	1.0
61.98814	0.7
69.64418	0.8
69.64780	0.7
70.98272	0.3
71.01380	20.2
72.99290	0.6
73.02947	4.6
83.01382	1.1
83.06016	0.4
85.02950	4.8
89.02440	19.6
94.90707	0.4
95.01394	2.0
95.05022	1.2
99.04478	0.8
101.02440	9.5
108.29160	0.4
113.02451	6.5
119.03504	6.8
121.06633	0.5
123.90604	0.4
139.11293	0.7
143.03500	0.8
149.04543	0.5
161.04538	0.6
163.11295	3.6
164.11584	0.4
164.58694	0.3
179.05592	1.4
181.12340	31.4
182.12680	1.9
183.10229	1.6
199.13434	0.6
207.10266	1.1
225.11320	100.0
226.11694	5.8
243.12378	4.8
405.17645	60.3
406.17978	5.9
406.22879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
58.62550	0.5
59.01379	100.0
60.01720	1.1
60.70198	0.4
61.98840	1.5
67.20473	0.5
69.03455	3.9
69.20083	2.8
71.01033	0.6
71.01380	3.3
71.05032	1.4
73.02956	0.6
74.02491	1.0
81.41510	0.4
81.98003	0.5
85.02965	1.7
89.02454	2.4
98.21893	1.1
101.02460	1.8
103.77176	0.5
107.36496	0.5
111.08167	1.1
113.02473	2.8
113.06112	0.5
119.03531	0.8
133.76704	0.5
139.11295	6.5
143.04604	2.8
143.42784	0.5
144.59200	0.5
147.76979	0.5
150.98141	0.6
161.04594	1.7
177.03378	6.1
179.05679	0.6
183.10258	54.2
184.10571	2.7
193.05183	0.5
197.11789	1.0
221.06847	0.5
225.11375	1.8
229.14551	0.9
279.09888	0.6
333.19229	1.2
345.15619	1.4
405.17319	2.0
405.21844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1917
Annotation	Argentine
Peak:m/z	Relative Intensity
57.03440	0.7
59.01373	1.8
61.98827	7.7
69.03463	1.5
69.36520	1.0
69.36928	2.0
71.01390	0.8
81.03467	1.9
85.02950	2.1
90.59105	0.5
93.03451	0.7
95.01395	0.9
95.05048	1.4
96.96059	0.5
97.02940	4.6
107.05058	1.3
108.02185	1.2
109.02954	3.6
111.04526	2.1
119.05054	0.5
121.02953	4.2
122.03727	1.4
123.04510	2.1
124.01641	4.4
125.02451	11.7
134.03700	0.5
135.04521	1.2
136.01616	2.5
136.05304	2.5
137.02446	9.6
138.03204	1.1
139.04015	9.2
145.02933	0.7
147.04494	0.9
149.06050	1.0
150.03200	1.5
151.03998	15.0
152.04762	2.4
154.02696	0.5
162.03227	2.3
163.04013	6.9
164.04797	5.4
165.05606	2.9
175.04021	3.6
176.04788	3.8
177.05568	9.0
179.03479	1.0
179.07111	1.4
180.04280	13.8
181.04945	1.0
184.03806	0.5
188.04820	0.7
189.05585	0.6
191.07199	1.5
193.05057	2.0
194.05849	19.3
195.06633	19.6
196.07066	1.2
206.05902	2.2
207.06572	0.6
208.07397	1.4
209.08199	5.0
225.84534	0.5
237.11354	0.8
262.00528	0.5
266.38315	0.6
271.13345	0.6
297.11374	0.6
299.12860	1.2
304.12628	0.6
314.11444	0.6
315.12424	1.7
317.13892	0.8
327.12366	1.9
328.12491	0.6
330.10959	0.9
345.13428	43.1
346.13748	4.4
357.13327	2.1
359.14990	1.3
375.14465	25.4
376.14810	3.1
388.15112	0.5
389.16254	1.0
390.16852	38.7
391.17032	4.0
405.19177	100.0
406.14490	1.1
406.19507	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.1
61.98817	2.5
64.30267	0.8
69.28235	0.7
69.99740	1.2
70.00076	1.3
73.22927	0.7
73.34842	0.7
81.55453	0.7
93.03452	8.1
95.16978	0.7
97.06606	1.0
98.22622	0.9
113.02255	0.9
131.64531	0.7
135.21564	0.8
143.46870	0.7
148.01370	0.9
148.08893	0.8
150.10493	2.2
163.11340	1.2
165.12840	24.2
166.13263	1.0
176.12164	1.0
191.14287	1.3
201.86777	0.8
244.10797	13.5
245.11209	0.9
247.20654	13.4
248.21078	1.3
273.18515	6.3
289.18127	1.0
291.19647	100.0
292.19955	8.2
295.16794	0.9
313.17834	43.9
314.18359	4.1
329.21103	1.1
331.18890	4.3
345.20413	4.4
369.24316	0.8
373.19897	15.3
374.20383	1.5
405.22415	2.2
405.26938	1.6
406.13351	1.2
409.55991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36591	15.4
61.98823	43.5
88.98793	57.8
89.02444	100.0
147.87305	16.4
171.10268	31.9
244.48907	16.0
291.19516	41.3
315.19302	49.3
387.25262	18.3
391.38162	16.6
405.26068	46.8
429.36304	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	31.5
61.88728	11.1
61.98835	62.2
68.86275	11.4
69.83263	24.7
71.81812	10.9
83.23684	10.3
89.02425	23.4
97.06586	38.9
100.87213	13.0
130.08748	13.4
156.27373	11.4
165.12828	29.2
237.14917	47.7
241.16110	19.6
244.10857	23.8
247.20636	16.4
289.18115	83.5
291.19675	100.0
292.20187	12.8
313.17905	42.3
329.21198	90.1
369.07919	12.2
370.54865	14.7
373.19882	15.4
387.25226	31.7
404.75763	12.9
405.26807	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
116.34242	0.7
157.12358	0.8
213.14970	1.2
217.87112	0.8
221.35461	0.7
225.12892	0.7
231.17542	2.6
239.16556	1.5
239.58266	0.8
247.13364	1.8
249.15198	0.7
313.25244	0.9
315.26837	2.3
319.07858	0.8
325.25348	6.0
341.24808	1.8
343.26413	2.6
351.23453	0.8
359.25894	1.6
360.51706	0.9
361.27328	1.4
362.27823	0.8
369.24289	4.1
377.27026	1.0
387.25339	9.6
388.25583	0.9
405.26450	100.0
406.26831	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01372	1.8
61.98829	1.2
70.09772	1.4
71.07373	0.5
81.73300	0.5
83.05022	0.8
93.03524	0.5
97.06573	0.8
111.08175	0.8
113.72991	0.5
115.35118	0.6
135.08179	1.3
137.09750	0.7
179.14371	0.7
181.12332	0.9
211.13347	0.8
213.15025	3.1
231.17644	0.6
239.16521	2.1
241.18094	0.8
247.13393	0.6
273.35663	0.6
275.16528	0.6
277.18091	1.4
313.25195	0.7
315.26834	2.7
317.28534	0.6
325.25375	3.6
326.25656	0.9
333.27979	0.9
341.24731	1.8
343.26254	2.8
351.23148	1.4
359.25861	3.0
361.27454	2.1
369.24359	3.8
377.26981	1.0
387.25360	8.7
388.25769	1.3
405.26431	100.0
406.26743	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01366	1.8
61.98826	0.4
65.27965	0.3
68.10131	0.4
69.03441	0.6
70.67732	0.6
71.01382	0.5
71.05021	0.4
79.81615	0.4
81.03481	0.4
83.05025	1.3
95.05053	0.7
97.06609	0.7
107.08646	0.5
109.06598	0.7
111.08162	0.6
127.07572	0.4
133.06609	0.6
135.08130	1.0
147.76077	0.4
164.67856	0.4
167.14461	0.5
175.52168	0.4
181.12245	0.5
193.16023	0.4
202.92105	0.4
207.17506	0.4
211.13480	0.9
213.14977	1.0
214.52502	0.4
221.15555	0.6
223.17099	0.5
231.17523	0.6
233.19057	0.6
235.17136	0.4
237.18886	0.4
239.16559	2.6
241.18016	3.5
253.18102	1.0
265.18259	0.4
265.21729	0.4
267.19662	1.5
275.16415	0.8
277.37518	0.4
293.21179	0.5
313.25333	0.5
315.26962	2.2
317.28351	0.6
325.25357	4.0
333.27838	2.0
335.41229	0.4
341.24847	1.4
343.26434	3.8
344.26691	0.5
351.23178	0.8
359.25931	3.4
361.27377	4.0
362.27890	0.7
369.24310	3.4
377.27051	0.6
387.25372	8.7
388.25757	1.1
405.26416	100.0
406.26736	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16659	0.9
59.01372	2.2
59.17159	0.9
60.54853	0.8
61.98809	2.0
69.09415	3.6
69.09824	1.5
71.01370	1.0
71.91628	0.9
81.47646	0.8
83.05036	1.1
89.51826	0.9
109.06602	0.9
109.56796	0.8
111.08168	1.3
137.09740	1.1
151.27342	1.1
171.57422	0.8
181.23495	0.9
185.30939	0.9
199.15030	0.9
203.14442	1.3
213.15056	1.7
216.39766	0.9
239.16525	2.1
241.18137	2.5
267.19861	1.2
275.16681	0.9
313.25214	1.0
315.26758	2.9
325.25388	3.2
333.27713	1.4
341.24875	2.4
343.26486	4.0
351.23077	1.2
359.25937	2.9
361.27487	3.5
369.24289	3.6
377.26801	1.5
387.25369	8.7
388.25598	1.2
389.48154	0.9
405.26453	100.0
406.26727	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	16.6
59.01378	32.9
61.98819	5.1
66.03465	1.6
69.95206	3.9
71.01369	11.7
72.99283	1.5
73.02946	2.4
74.02468	31.6
81.04592	2.4
82.02990	4.3
82.54117	1.5
82.95414	3.1
84.04589	1.6
85.02940	3.3
86.02473	13.5
86.06104	3.6
87.02759	2.6
87.05631	5.3
88.04007	1.9
89.02443	7.0
96.04539	2.0
97.04050	4.2
98.22602	2.0
99.05035	1.8
99.05647	26.8
101.02436	8.7
101.07191	6.0
102.05605	6.3
109.04070	6.4
109.07734	2.4
111.05651	1.7
112.04049	2.7
113.02429	4.0
119.03483	3.7
123.05599	2.4
125.03540	4.6
126.04401	1.9
127.05138	3.6
128.03545	74.8
133.06943	18.6
135.05650	9.0
137.07159	2.5
141.06689	4.3
143.04626	100.0
144.04984	2.1
145.06157	3.3
146.04576	13.1
150.03185	3.0
153.06670	6.4
161.04533	3.2
166.09836	3.8
167.04662	4.0
167.08217	8.4
171.04124	3.1
179.03159	2.0
179.04604	24.3
181.06236	2.7
185.05676	3.4
192.07819	3.5
193.05170	1.5
197.05685	6.1
210.08844	24.9
228.09799	2.3
230.30919	1.4
254.07828	52.0
255.08090	3.2
272.08871	61.0
272.11804	3.0
273.09155	3.1
277.12350	5.9
308.07303	2.2
347.16940	3.0
359.83121	1.6
377.18243	2.7
388.15497	11.4
406.16537	96.6
407.18417	5.5
427.66949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38295	2.0
56.34395	2.1
59.01388	4.2
61.98832	32.0
65.49834	2.0
69.00243	2.1
71.01379	13.2
78.91882	2.7
88.04041	97.8
92.65669	2.4
98.22692	5.7
99.92552	3.1
115.00368	23.4
121.05293	3.1
132.03015	15.3
136.07675	24.6
145.10291	2.2
162.83890	7.4
163.07639	48.5
190.05101	9.8
191.93245	2.7
211.13315	3.2
222.07683	8.7
232.14664	7.8
275.15277	37.7
276.15790	3.3
290.17691	7.3
291.15988	18.0
312.06512	8.1
325.20206	4.0
362.19666	13.3
371.16104	28.1
389.16434	5.9
391.16638	2.4
405.99973	2.8
406.13940	4.0
406.18671	100.0
407.13892	2.9
407.19196	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02678	0.9
58.02971	13.4
59.01373	5.6
61.98827	16.1
66.03478	0.7
67.57197	0.7
69.28185	3.4
69.36749	0.7
73.04066	47.9
74.02473	1.9
78.90287	0.6
81.02193	1.0
82.06612	3.3
82.71789	0.6
84.08199	1.3
85.04070	1.1
86.02431	0.7
87.05650	0.8
91.05513	3.3
96.51612	0.7
97.01703	1.1
97.04076	14.0
98.02480	0.9
112.23707	0.6
112.28088	0.7
115.05128	49.6
116.03554	1.7
116.05045	15.2
127.05180	1.9
129.10329	2.0
130.08734	96.4
131.05057	5.5
131.09068	3.1
135.00894	1.2
135.04529	0.8
136.01207	0.8
141.10321	3.5
142.06625	2.8
150.05608	1.2
153.01959	1.1
164.07138	0.8
164.30305	0.7
168.09004	0.6
169.09918	0.6
171.09261	1.4
171.11432	0.7
172.07649	1.0
174.05641	2.0
186.05597	28.2
187.05812	1.6
202.51895	0.6
215.08186	1.2
216.06630	12.5
216.13895	11.8
217.14423	0.8
241.14445	0.9
242.11949	1.1
245.09276	8.2
257.09247	3.6
259.14438	1.1
260.12939	2.7
275.10321	3.0
275.13559	0.6
277.15561	11.9
278.15848	0.9
332.19812	1.2
346.17676	1.3
364.48895	0.7
376.18744	100.0
377.19025	9.2
388.18716	15.9
389.18921	1.7
406.19775	64.6
407.19937	6.6
428.18552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01332	2.3
61.98832	7.0
69.08362	2.4
69.08772	1.3
71.01324	0.7
73.02909	0.6
73.60041	0.5
79.95740	7.7
79.96697	0.5
80.91647	0.7
80.96470	2.3
94.35335	0.6
95.95232	0.9
96.96009	13.9
98.22610	1.4
101.02415	0.6
109.02900	0.9
117.84657	0.5
125.78824	0.6
133.02948	1.2
134.03667	1.8
151.03957	0.8
171.10220	1.2
177.01920	0.8
178.02617	0.9
211.13463	0.9
227.35297	0.5
229.14473	0.9
239.07130	0.9
266.05807	2.5
267.06534	2.4
269.08167	32.4
270.08548	2.4
275.09213	2.3
284.10617	0.9
297.07681	41.2
298.07990	3.2
312.10016	100.0
313.10364	8.9
327.12357	79.2
328.12747	7.1
345.17093	0.8
377.98944	0.7
395.11069	0.5
406.22110	1.0
407.08081	48.3
407.17078	15.4
407.22247	0.9
408.08301	4.8
408.17654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41040	2.1
59.01368	2.8
61.98826	11.4
65.84843	2.3
69.03454	2.8
69.93275	2.9
69.93619	5.0
74.86610	2.1
77.08128	2.1
77.35230	2.0
92.92804	11.8
96.83669	2.6
97.93130	7.6
98.21919	2.8
99.92579	45.0
100.93349	21.0
105.52453	2.2
106.51492	2.3
109.66635	2.3
113.92590	2.4
115.00346	3.2
115.92083	35.1
116.90569	13.0
116.92857	100.0
140.08897	2.2
209.11893	5.0
211.13399	11.9
243.03343	3.1
253.17831	3.0
260.84793	2.3
291.03311	3.5
291.19659	5.6
347.18213	3.2
349.15448	2.8
407.11624	61.8
407.28278	3.4
408.11401	16.9
419.79129	2.4
427.77863	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63338	1.4
55.69349	1.8
55.85710	1.5
59.01373	3.1
61.98832	16.0
71.05014	1.4
78.13342	1.5
78.91860	2.0
84.93874	5.7
97.02919	1.9
99.92590	67.9
100.92651	3.7
100.93353	42.0
115.92079	79.4
116.92191	3.7
116.92860	100.0
117.92880	7.1
124.95746	1.5
126.22473	1.6
184.84106	1.3
289.18155	4.3
332.07150	5.5
347.14883	5.9
359.09518	2.0
371.09460	16.4
385.07520	8.7
386.07776	3.0
389.10681	20.7
390.10736	4.6
399.05875	2.0
403.08618	12.7
404.08560	1.9
407.11575	10.7
408.12170	2.3
417.06421	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49186	1.0
58.21923	1.4
59.01378	35.9
60.76305	1.1
61.98834	3.3
69.64963	4.7
71.01374	11.3
73.02943	4.7
82.95476	1.2
83.01385	2.0
85.02963	4.3
86.13024	1.3
88.66968	1.1
89.02444	8.8
101.02449	6.1
108.02173	100.0
109.02431	3.0
109.03063	2.6
113.02461	4.5
119.03491	3.0
119.05022	1.3
123.04524	64.8
124.04827	2.3
133.02983	1.9
135.04437	1.4
136.01691	2.7
139.47679	1.3
143.03522	1.2
147.04582	1.7
149.02391	4.6
150.03238	4.0
151.03998	3.5
152.24780	1.2
153.05588	1.8
161.02461	6.7
161.04544	3.7
162.03235	5.7
163.04010	5.6
164.04782	2.0
165.05577	3.0
174.03209	3.9
175.04042	4.2
177.01941	2.6
177.05591	3.9
178.02681	10.8
179.05556	1.7
187.17262	1.2
189.01968	2.0
189.05563	2.4
190.02724	22.0
191.03423	7.0
193.03290	1.9
193.05055	39.4
193.06741	2.7
194.05487	2.2
195.06519	1.4
202.02675	3.5
202.24321	1.2
203.03470	3.6
205.05037	27.0
205.06937	1.4
206.05228	1.7
214.02759	3.2
217.05104	7.3
247.06026	2.9
253.07124	22.7
265.07162	16.2
269.22974	1.3
279.91055	1.2
283.08301	13.4
284.08633	1.5
289.53964	1.4
314.08029	2.8
329.10312	33.6
330.10718	4.0
341.10291	20.7
342.10587	2.3
347.17001	2.2
377.12360	5.6
407.13577	4.7
407.19250	10.9
408.19177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	75.9
61.98838	10.7
63.19828	1.4
67.95127	1.4
69.96177	3.6
70.76385	1.4
71.01377	22.5
72.99311	2.4
73.02940	4.6
83.01349	1.6
85.02935	8.9
86.33043	1.4
87.00867	1.7
88.04051	2.2
89.02439	21.5
93.03423	1.7
95.01376	2.4
96.95995	2.1
99.92598	3.7
100.93386	1.7
101.02428	15.3
108.02172	100.0
113.02451	7.8
115.92061	2.2
116.05029	4.2
116.92870	2.3
119.03477	8.6
119.05056	2.2
123.00896	1.6
123.04526	66.0
124.04862	1.9
128.87982	1.4
131.03462	2.4
133.02940	1.8
134.03656	1.7
135.04478	3.2
136.01614	1.5
137.02344	1.9
143.03525	2.2
148.01649	2.8
149.02397	5.2
150.03224	7.2
151.03906	4.9
153.05589	2.0
158.06096	4.2
161.02425	6.6
161.04514	6.3
162.03157	7.9
163.04018	7.4
165.05589	7.7
166.02597	1.4
174.03197	3.6
175.03889	2.7
177.01895	3.8
177.05501	2.7
178.02637	9.6
179.03445	1.7
179.05617	7.7
181.05043	4.1
185.02191	4.2
189.01836	1.7
189.05560	4.1
190.02708	23.8
191.03499	7.6
193.05046	37.2
195.06653	2.7
202.02647	2.0
203.03528	3.6
205.05046	24.8
207.06619	2.6
209.08182	2.9
211.06168	3.9
214.02716	3.0
217.05032	6.4
230.02051	2.5
247.06097	3.6
253.07181	22.1
254.07468	1.9
265.07150	15.3
283.08301	9.8
300.15491	2.0
312.92926	1.5
314.08151	3.3
329.10272	37.3
330.10559	5.0
341.10269	21.0
345.47256	1.5
347.17014	11.7
365.18143	1.8
377.12311	5.5
407.13589	7.4
407.19135	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	19.7
61.98835	2.5
70.06878	6.0
71.01374	3.6
72.99318	2.2
73.02939	4.0
85.02973	2.8
87.04503	3.5
89.02441	4.5
96.95986	2.7
101.02445	8.1
113.02431	2.4
132.64619	2.1
137.87798	2.2
171.10268	100.0
172.10608	4.7
211.75197	2.6
212.61819	2.1
215.48744	2.0
232.31586	2.1
253.09303	9.7
310.25055	2.3
343.96469	2.1
358.15988	1.8
383.75864	2.0
406.74194	1.9
407.18698	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.8
61.98848	1.8
69.17065	6.8
71.01378	5.5
73.02952	2.4
85.02958	2.2
87.04529	1.3
89.02451	5.2
92.68893	1.2
96.07712	1.2
96.95999	1.8
101.02427	6.3
113.02438	2.5
117.52685	1.2
119.03514	1.5
127.11294	1.6
161.04570	1.9
171.10269	100.0
172.10617	4.2
232.77505	1.4
253.09261	8.6
275.09314	1.6
381.71466	1.4
407.18436	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1863
Annotation	fukanefuromarin F
Peak:m/z	Relative Intensity
58.92941	3.6
59.01376	6.9
60.14740	4.2
61.98825	15.4
80.96547	4.8
93.03486	4.6
109.02961	9.8
115.92130	3.9
116.92824	4.6
130.04274	7.2
147.04529	9.0
167.68390	3.9
171.10271	5.6
172.05273	9.7
173.06041	4.0
215.07109	73.3
216.07480	4.7
225.05624	6.7
251.07216	5.5
261.08920	4.9
268.07437	11.2
279.10297	39.2
293.11877	29.0
294.12585	76.3
295.13089	18.1
316.17905	3.9
338.11713	20.2
363.19745	10.7
407.18619	100.0
407.27258	9.7
408.18893	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79218	0.7
57.03447	2.4
59.01379	100.0
59.93098	0.7
60.01696	1.1
61.98825	3.7
69.16503	4.5
71.01382	6.0
73.02950	1.8
75.00866	2.4
85.02955	2.7
89.02446	4.1
98.21928	1.3
99.04487	0.9
101.02449	4.3
113.02448	1.5
119.03522	1.1
125.09734	0.9
126.22124	0.8
143.04640	1.4
161.04607	3.4
165.02002	2.4
166.72437	0.7
171.10269	16.3
179.02850	3.7
180.04167	1.0
195.06657	1.8
204.06848	0.8
209.11815	7.6
211.10097	0.8
225.07663	1.3
227.12933	4.2
253.09390	0.8
264.08737	1.4
305.16037	2.1
313.49707	0.7
347.17026	3.7
391.98624	0.8
407.18985	6.5
407.23761	0.7
408.20657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64046	1.7
59.01374	10.3
61.44657	1.5
61.98804	3.4
69.30059	4.2
69.30445	3.8
71.01379	24.6
71.04988	2.1
73.39275	1.6
78.91882	3.2
80.91679	55.9
83.05042	1.9
84.02158	2.0
84.78051	1.6
93.03445	2.3
95.05029	5.8
97.06598	3.3
98.22642	3.4
99.08132	2.2
99.92583	13.5
110.05651	1.7
119.05084	1.5
123.04527	7.9
127.07634	15.3
127.87052	2.7
133.03001	2.2
134.03716	4.9
137.09653	1.8
139.07639	2.3
141.88586	2.3
153.09201	6.3
163.11298	3.2
165.01680	1.9
165.20546	1.5
171.10260	6.8
178.02612	3.1
179.10577	2.4
185.11794	8.2
193.05009	3.9
197.11871	8.1
207.10019	19.6
209.11816	26.8
211.13397	1.9
219.10022	7.0
221.07915	11.9
231.09926	2.3
233.11671	2.3
249.10887	2.0
251.11197	2.5
259.13275	2.7
260.10248	27.0
261.10547	2.5
278.11356	100.0
279.11670	5.4
289.18121	5.0
307.19162	31.1
308.19455	3.4
321.04379	3.7
325.20126	26.2
329.17291	40.0
330.17151	2.0
345.16684	1.9
347.18329	21.3
348.18262	2.7
372.10349	2.6
389.10452	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.1
59.01379	1.4
60.80962	0.8
61.98787	0.9
62.96395	0.7
69.58709	2.2
78.95900	18.1
84.04504	0.8
91.95147	0.8
98.21957	1.5
109.04060	1.1
110.98532	11.3
111.39969	0.7
117.06681	0.6
119.26163	0.7
127.05131	4.1
129.32469	0.7
132.08406	0.8
133.15237	0.7
145.06206	4.5
152.99561	3.0
167.01147	15.5
185.02217	4.0
211.13373	1.0
239.20163	100.0
240.20482	7.8
307.26385	2.0
309.20715	2.3
345.24863	0.8
345.29022	2.2
363.25418	2.3
389.28125	1.1
407.22040	22.0
407.29044	12.3
408.22495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2798
Annotation	3-Epicholic acid
Peak:m/z	Relative Intensity
59.01378	4.1
61.98824	2.0
68.13342	1.3
69.73792	3.9
73.57870	1.4
103.91987	1.5
107.05021	1.3
109.06608	2.2
112.91827	1.5
113.40513	1.1
200.96121	2.0
211.13362	13.0
291.19604	2.1
293.20380	1.4
315.26746	7.4
327.26822	10.8
335.18005	7.3
341.24783	1.9
345.27899	5.1
353.24872	4.1
354.25360	1.5
359.25848	7.5
371.25760	10.2
377.26944	21.1
389.26950	47.6
390.27374	8.7
395.46909	1.5
407.16772	25.7
407.28006	100.0
408.28436	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02123	2.5
59.01360	2.5
61.98829	4.5
69.87686	6.7
72.20113	2.1
73.41439	2.7
78.95885	11.9
97.58534	2.8
98.22617	2.3
100.43973	2.4
104.67355	2.7
110.98524	7.4
115.04005	5.3
116.05094	2.7
152.99576	2.6
165.80942	2.5
167.01115	8.6
183.13918	3.3
185.02303	2.6
209.11925	3.5
211.13383	9.2
221.18985	2.3
227.15829	2.7
231.17474	2.6
239.20168	100.0
240.20564	11.4
259.00482	2.6
289.18008	13.6
307.19174	10.4
309.20624	4.7
327.26697	3.0
345.24670	3.7
389.27078	3.1
407.21967	14.9
407.27914	23.9
408.22586	2.6
408.27875	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02639	4.2
70.56284	7.0
97.91138	4.2
125.06082	64.9
143.07144	84.8
259.80396	4.4
281.24847	100.0
282.25287	8.5
322.03140	5.3
347.98120	4.9
350.76627	5.5
370.69312	5.1
394.31543	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81418	5.4
59.01375	10.9
61.98829	100.0
69.22064	27.5
78.91867	5.6
99.92565	6.1
164.83556	6.7
171.04504	8.1
171.10216	6.9
213.01848	6.8
215.03429	8.6
222.21413	5.3
243.02998	17.1
321.07678	12.8
349.19208	6.4
351.04727	7.9
365.06430	7.4
379.04428	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.2
61.98827	100.0
67.92952	0.8
69.98964	0.9
71.01379	1.8
78.28671	1.0
85.02942	1.1
89.02436	1.3
96.95988	3.1
112.28080	0.9
147.06578	1.0
155.03859	1.0
209.26323	1.0
244.42772	1.1
310.01077	1.1
408.08047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	1.3
59.01377	10.2
60.01706	0.5
61.98586	0.3
61.98833	3.0
69.90869	1.0
71.01382	2.6
72.01717	0.5
73.02939	1.0
78.94532	0.3
79.95735	9.1
85.01171	4.6
85.02950	1.3
89.02437	1.9
93.04578	0.6
93.73632	0.3
96.96010	100.0
97.95924	0.4
101.02437	2.5
102.98554	0.6
103.02232	13.1
112.93735	0.5
113.02441	1.2
115.31257	0.3
116.92895	0.6
119.03436	0.5
120.01248	9.2
121.06576	0.5
121.99186	0.9
136.90796	0.4
137.09718	9.8
150.43867	0.3
161.04567	0.7
171.10268	1.3
172.10649	0.7
181.39433	0.3
191.05688	0.7
208.00406	0.4
210.12201	0.4
229.14368	0.3
247.15424	1.0
287.09641	1.4
321.08334	14.4
322.08597	1.1
328.15729	0.9
348.17334	0.6
407.19052	0.6
408.11560	56.3
408.19232	2.7
409.11816	5.6
409.20679	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.7
60.01712	1.1
61.98829	100.0
69.03450	2.7
71.01394	1.9
73.02945	0.7
75.00873	0.7
79.95740	0.8
85.02962	0.8
89.02428	0.8
91.22872	0.6
96.12151	0.5
96.96012	9.7
99.00869	0.7
101.02437	2.7
103.02235	1.5
118.95988	0.6
120.01369	0.6
137.09712	1.1
148.87973	0.5
161.04538	1.2
171.10310	1.6
172.10663	1.4
175.06140	0.7
183.10139	0.6
185.00912	1.5
209.11926	1.5
210.12167	0.6
250.07178	1.3
321.08401	0.7
347.17264	1.0
348.17450	1.8
358.12234	0.5
408.11560	4.6
408.19794	1.2
409.15097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.8
60.01728	1.7
61.98833	100.0
67.36931	0.6
69.03459	6.9
71.01381	4.0
73.02931	1.6
75.00883	1.4
85.02962	1.8
87.00867	0.7
89.02464	1.6
96.96011	7.1
97.02978	1.8
99.00895	2.2
101.02445	3.5
103.02277	1.0
113.02431	1.0
120.01272	0.6
135.04643	0.7
162.63855	0.6
171.10355	1.0
172.10649	1.2
173.04607	0.8
185.00974	2.7
191.05614	1.3
209.11925	1.9
210.12218	2.7
227.13066	1.2
250.07263	1.2
272.46417	0.6
348.17294	3.5
408.11612	3.3
408.19608	1.9
409.15375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2542
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
60.41330	0.7
70.08006	1.8
78.95881	1.1
84.09728	0.9
85.51623	0.8
110.98560	0.9
111.08146	2.5
116.05038	2.7
129.05861	12.0
141.09146	0.9
146.06117	27.0
147.06432	1.3
156.04550	11.6
161.04813	5.4
165.12848	27.0
166.13187	1.4
168.08211	2.3
181.12372	4.5
182.06117	1.1
196.07722	1.6
209.11830	2.2
210.09138	0.9
225.11447	0.8
240.20468	2.6
241.21736	10.2
321.17334	2.1
338.17706	0.8
339.18390	20.4
340.18692	1.8
390.24252	2.8
391.24371	0.9
408.25412	100.0
409.25827	12.2
428.02478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0924
Annotation	Cleistanone
Peak:m/z	Relative Intensity
51.95715	1.2
59.01364	1.6
61.98825	11.7
69.52212	2.6
69.52609	2.4
98.22585	2.4
99.00832	1.3
99.92587	18.3
100.93349	4.8
115.92064	8.3
116.92070	2.0
116.92857	24.0
117.92798	1.3
171.10234	2.0
193.08464	1.8
206.03642	1.7
211.13252	1.5
219.04475	1.8
223.03908	1.3
233.05913	1.6
235.03984	6.4
236.04745	4.3
247.03954	4.0
249.05513	1.5
250.02751	1.4
251.03177	2.1
251.07083	1.5
252.04269	2.9
262.02515	1.4
263.03506	8.5
264.04245	12.7
265.05035	8.1
266.02161	2.0
268.03815	1.9
274.02563	1.8
275.03488	2.1
276.04218	4.5
277.04941	1.8
279.02924	6.7
279.06561	6.6
280.03671	1.6
291.02963	10.1
291.19888	1.7
292.03683	9.1
293.04791	1.7
295.06042	3.1
303.02869	1.2
304.03735	4.2
305.04413	2.7
306.01419	1.6
307.02530	3.2
307.06000	1.6
308.03110	2.1
319.02347	4.1
319.06082	7.8
320.03247	27.9
320.06598	1.8
321.03860	4.5
322.04718	1.4
323.02145	2.8
323.05545	6.8
327.21564	1.5
334.08307	2.9
335.02304	3.8
335.05591	82.4
336.02390	2.8
336.05945	7.7
347.02142	1.8
348.02698	1.6
349.03345	2.2
350.04218	1.9
350.07944	3.1
351.04779	1.4
353.06503	3.1
363.05164	2.8
364.02127	2.8
365.06378	2.6
365.10406	1.6
373.11096	3.3
379.04572	40.3
380.04898	4.0
391.12079	3.2
394.06906	67.1
395.07111	7.8
409.09174	100.0
410.09338	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46685	0.9
64.08155	1.1
65.00317	2.3
67.01888	2.6
68.99805	1.0
69.07507	3.4
69.07935	2.8
69.71221	0.9
71.58421	1.1
78.07458	0.9
80.91660	4.2
96.96022	1.2
98.22578	2.8
108.02199	7.0
164.71182	1.0
165.07085	2.6
170.38896	0.9
178.45338	0.9
179.08740	1.4
181.06599	1.1
189.07092	10.7
191.08656	2.3
193.06616	2.0
193.08318	1.4
195.04460	1.7
195.08046	1.3
196.05272	2.4
202.07780	1.2
203.08669	4.9
204.05771	6.4
205.06570	8.9
206.07219	2.1
207.04465	1.0
207.08090	4.9
208.05232	1.2
209.06097	3.0
210.06874	2.0
216.05698	1.6
217.06564	8.9
218.07243	3.9
219.04543	2.3
219.08145	5.2
220.05345	2.6
221.06027	4.4
222.06770	2.8
223.04100	1.8
223.07631	1.6
229.06590	2.2
230.07213	1.1
231.08109	4.3
232.05295	23.4
233.06042	16.1
233.11534	4.3
234.06819	9.7
235.04066	1.4
235.07652	10.6
236.04791	8.1
236.08253	1.9
237.05505	2.3
237.09195	1.4
245.06186	5.4
245.08412	1.0
246.06758	6.4
247.03957	1.2
247.07631	16.1
248.04741	3.4
248.08385	10.0
249.05554	11.1
249.09177	6.0
250.06313	7.5
251.07068	7.0
251.12689	1.4
259.04147	1.2
259.07571	4.4
260.04767	5.5
261.05582	14.2
262.06299	7.8
263.04504	1.2
263.07126	9.7
264.01419	1.2
264.04269	22.9
264.07581	3.0
265.04672	2.3
265.08685	3.0
266.09482	1.1
273.05438	1.5
274.06281	2.7
275.07169	18.8
276.04202	3.9
276.07681	5.6
277.05008	13.6
277.08609	5.2
278.05841	21.9
278.08923	2.2
279.06628	38.1
280.06906	3.5
289.05069	9.2
290.05771	5.3
291.06705	5.2
292.03775	8.2
292.07361	3.9
293.08191	24.5
294.08945	23.2
295.09323	1.9
297.11179	2.3
303.06586	2.8
304.07281	4.4
305.04547	5.9
305.08145	3.8
306.05228	8.0
307.06152	21.5
307.09616	1.2
308.07013	1.9
308.10526	51.6
309.11276	66.7
310.11609	5.2
317.04520	2.8
319.05911	2.9
320.06964	5.4
321.07681	16.0
322.08438	13.2
323.05493	1.4
327.21869	3.1
332.06848	4.2
335.05530	7.4
335.09216	49.0
336.06003	1.9
336.09760	12.8
337.10809	100.0
338.11111	8.9
349.07126	1.3
349.19962	5.2
350.07870	4.3
365.10333	19.2
366.10602	2.0
400.86441	0.9
434.44641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41998	0.6
59.01363	1.6
61.01799	0.5
61.98824	1.5
70.98267	0.8
71.01413	0.8
77.51977	0.6
79.95767	0.6
83.62413	0.5
96.96028	2.8
97.62613	0.6
167.14601	0.7
207.04524	0.8
208.05331	2.3
209.11707	0.6
220.05226	4.2
234.03227	1.3
235.03935	1.4
236.04771	14.0
237.05235	1.7
239.03493	1.6
248.04846	3.3
249.05492	1.7
252.26448	0.6
262.02673	1.6
262.06421	0.9
263.03467	13.7
264.04248	18.4
265.04770	1.2
275.03314	1.4
276.04291	4.1
277.05078	4.5
278.02438	1.5
278.05688	1.8
279.06604	0.9
280.03781	0.9
289.05072	1.3
290.02328	0.8
291.03009	17.0
291.06299	1.5
292.03751	58.0
293.04254	6.5
303.02869	0.7
304.03751	2.1
305.04572	3.6
306.05243	11.7
307.02625	0.8
307.06030	15.7
308.03308	1.4
308.06522	1.2
319.02435	3.2
320.03235	88.8
321.03616	7.6
321.07648	6.5
322.08401	6.2
334.04861	2.4
335.05576	87.3
336.02521	1.1
336.05988	7.7
349.07184	3.3
350.04150	1.4
350.07883	5.4
351.05032	1.6
364.02234	4.4
364.05734	0.9
365.06561	7.7
366.07303	4.8
379.04495	8.7
379.08691	1.1
380.04755	1.2
380.09039	3.5
381.09470	3.1
382.07031	1.0
393.06070	3.1
394.06903	97.0
395.07193	11.0
409.09250	100.0
410.09607	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	6.9
61.98832	4.8
85.82338	2.3
96.96008	3.2
98.22648	8.6
98.93337	2.0
108.02177	4.4
127.49530	2.3
189.07098	4.6
193.54916	2.2
203.08696	3.8
204.05840	3.1
205.06519	4.5
207.08134	2.9
217.06613	3.5
219.08080	3.6
221.06053	4.8
232.05302	12.1
233.06046	7.4
234.06859	4.9
235.07635	5.9
236.04659	5.5
246.06726	4.8
247.07561	8.4
248.08592	4.1
249.05525	7.4
250.06340	6.0
251.06934	3.1
259.07526	2.5
261.05515	7.5
262.06287	3.9
263.07062	6.6
264.04257	11.0
265.04782	2.4
275.07175	14.7
276.07883	4.9
277.05008	8.8
277.08136	3.1
277.50504	2.4
278.05801	16.5
279.06705	23.3
289.05109	5.2
291.06635	5.3
292.03815	5.6
293.08194	17.1
294.08936	19.0
295.09665	2.9
297.10931	3.4
304.07343	3.7
305.04620	5.1
305.08014	4.6
306.05206	5.4
307.06113	12.6
308.10541	52.0
309.07764	3.3
309.11304	61.1
310.11624	7.2
320.03159	5.6
320.06696	4.1
321.07724	11.1
322.08249	13.6
332.06552	3.2
335.05588	7.0
335.09256	43.9
336.09717	10.3
337.10785	100.0
338.11050	10.5
343.36255	2.4
349.19888	8.4
350.07919	4.2
365.10364	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24989	2.8
57.75651	2.6
69.68246	9.8
82.57904	2.5
88.04725	2.7
94.47970	2.6
108.02151	7.5
189.07080	8.3
204.05803	4.4
205.06436	5.4
217.06558	6.4
218.07382	3.2
219.07919	3.8
220.05225	3.9
231.08145	3.5
232.05298	22.9
233.06059	14.8
234.06915	8.8
235.07664	7.0
236.04744	6.1
245.05997	3.5
246.06877	4.3
247.07532	16.0
248.08337	5.7
249.05511	6.9
250.06209	6.0
251.07199	3.3
260.04727	3.0
261.05511	10.0
262.06213	8.0
263.03726	3.2
263.07141	8.3
264.04214	23.8
275.03644	3.0
275.07056	20.9
277.04916	8.9
277.08337	3.7
278.05832	17.4
278.08612	3.0
279.06601	36.2
288.04346	3.4
289.05164	13.5
290.05792	7.0
291.06509	8.5
292.03763	8.7
293.08179	13.2
294.09030	26.1
303.06546	8.5
305.04187	3.3
305.07870	3.4
306.05563	5.2
307.06021	19.2
308.10486	43.4
309.11276	60.4
310.11606	5.7
318.05307	8.0
320.06918	7.1
321.07596	14.3
322.08386	10.8
335.05579	5.6
335.09238	50.2
336.09863	11.9
337.10797	100.0
338.11194	8.8
344.16699	3.1
365.10211	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0928
Annotation	Dehydropodophyllotoxin
Peak:m/z	Relative Intensity
61.98815	2.1
69.10619	1.4
69.11026	2.8
80.91676	1.9
86.37946	0.6
91.46183	0.7
98.22588	1.6
103.30804	0.6
122.51463	0.6
128.78694	0.6
155.10793	1.1
192.05766	1.2
193.08467	1.2
206.03600	0.9
208.05276	2.5
212.04813	0.8
218.03915	0.6
220.05240	6.3
223.04128	0.7
224.04688	0.7
226.05676	0.6
234.03259	1.1
235.04037	1.7
236.04773	16.3
237.05219	1.5
239.03406	2.3
240.04214	0.9
247.04037	1.1
248.04774	3.5
249.05470	1.5
251.03181	1.0
261.05502	0.9
262.02753	2.0
262.06274	0.9
263.03476	16.5
263.06381	1.0
263.07571	1.0
264.04266	22.3
265.04773	1.9
267.02652	0.9
275.03494	1.7
276.04312	5.4
277.05054	5.3
278.02313	1.4
278.05817	1.7
279.03098	0.9
279.06372	1.2
289.04993	1.3
290.02301	1.1
290.05618	0.7
291.03003	23.9
291.06287	1.2
292.03769	71.1
293.04282	6.9
303.03152	0.7
304.03717	2.5
305.04584	3.3
306.05307	15.3
307.02472	0.6
307.06052	17.1
308.03400	1.5
308.06665	2.4
319.02463	2.5
319.05884	0.7
320.03235	97.2
321.03598	10.0
321.07635	8.0
322.08398	7.5
323.08994	1.2
325.07172	1.0
334.04843	3.0
335.05588	94.9
336.02625	1.1
336.06073	9.4
348.02463	1.0
349.03366	1.0
349.07242	4.4
350.04245	1.3
350.07950	4.2
351.04932	1.5
351.08676	1.3
364.02164	4.0
364.06058	0.9
365.06604	8.4
366.07382	3.8
379.04486	12.5
379.08725	0.8
380.04807	1.2
380.09085	2.8
381.09689	2.6
382.06775	1.5
393.06229	3.8
394.06906	100.0
395.07303	10.6
409.09268	99.7
409.20581	1.0
410.09625	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95715	1.2
59.01364	1.6
61.98825	11.7
69.52212	2.6
69.52609	2.4
98.22585	2.4
99.00832	1.3
99.92587	18.3
100.93349	4.8
115.92064	8.3
116.92070	2.0
116.92857	24.0
117.92798	1.3
171.10234	2.0
193.08464	1.8
206.03642	1.7
211.13252	1.5
219.04475	1.8
223.03908	1.3
233.05913	1.6
235.03984	6.4
236.04745	4.3
247.03954	4.0
249.05513	1.5
250.02751	1.4
251.03177	2.1
251.07083	1.5
252.04269	2.9
262.02515	1.4
263.03506	8.5
264.04245	12.7
265.05035	8.1
266.02161	2.0
268.03815	1.9
274.02563	1.8
275.03488	2.1
276.04218	4.5
277.04941	1.8
279.02924	6.7
279.06561	6.6
280.03671	1.6
291.02963	10.1
291.19888	1.7
292.03683	9.1
293.04791	1.7
295.06042	3.1
303.02869	1.2
304.03735	4.2
305.04413	2.7
306.01419	1.6
307.02530	3.2
307.06000	1.6
308.03110	2.1
319.02347	4.1
319.06082	7.8
320.03247	27.9
320.06598	1.8
321.03860	4.5
322.04718	1.4
323.02145	2.8
323.05545	6.8
327.21564	1.5
334.08307	2.9
335.02304	3.8
335.05591	82.4
336.02390	2.8
336.05945	7.7
347.02142	1.8
348.02698	1.6
349.03345	2.2
350.04218	1.9
350.07944	3.1
351.04779	1.4
353.06503	3.1
363.05164	2.8
364.02127	2.8
365.06378	2.6
365.10406	1.6
373.11096	3.3
379.04572	40.3
380.04898	4.0
391.12079	3.2
394.06906	67.1
395.07111	7.8
409.09174	100.0
410.09338	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	9.8
69.03436	0.7
69.84949	1.2
69.85291	1.6
83.93073	1.3
84.93880	2.3
96.43260	0.8
99.92585	63.4
100.92627	3.7
100.93353	20.1
100.94043	1.0
101.94126	0.8
111.08150	1.2
113.68501	0.7
115.92075	29.8
116.92859	100.0
117.92869	5.5
126.60854	0.7
160.80173	0.7
160.84206	7.9
169.06841	1.0
195.65529	0.7
197.11772	1.5
240.68134	0.8
260.05106	1.6
276.04501	1.2
278.06067	2.5
281.04819	4.1
286.65942	0.9
293.04877	2.8
296.07050	1.8
301.06293	0.8
304.04218	0.8
309.20667	1.7
311.10791	1.0
313.03452	0.8
322.05099	29.1
323.05463	3.7
373.10962	3.9
378.89822	0.9
387.09155	1.6
391.07809	0.9
391.12018	4.7
392.12625	1.8
409.13211	53.7
409.25751	1.6
409.99393	2.2
410.13333	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	10.1
61.98830	100.0
67.74510	3.7
80.91685	28.1
82.95419	38.1
86.74306	3.5
96.96001	4.1
99.92570	10.5
104.35137	3.1
121.38514	3.7
185.11737	3.9
193.08481	12.1
206.48688	3.5
207.10071	5.4
207.65393	3.3
215.08035	3.8
254.01750	3.4
261.14719	18.2
321.07715	5.1
327.21765	20.8
331.18564	4.2
346.07434	3.8
349.19919	21.9
370.67548	4.2
381.18414	3.3
410.17758	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28312	0.7
59.01382	5.7
61.98810	1.7
70.28986	1.7
71.01379	2.3
73.02909	1.0
78.91865	0.9
85.02944	0.7
89.02426	2.6
93.03461	2.2
96.96029	1.0
101.02408	1.4
106.42870	0.7
106.84451	0.8
121.02963	4.6
122.03750	7.4
131.03558	0.8
131.27081	0.7
134.03792	0.8
135.04466	1.0
136.01651	1.1
149.02443	34.8
149.04454	1.9
150.03227	61.0
151.03752	2.8
153.05489	0.7
164.04794	9.5
165.05565	100.0
166.05882	4.0
180.04265	2.3
191.05710	0.9
195.06618	20.7
196.06883	1.0
209.59680	0.8
213.07704	2.2
215.44351	0.7
257.08096	0.8
271.09744	0.8
285.07739	4.0
286.08493	7.0
301.10822	14.0
302.11148	0.9
337.52005	0.7
361.12900	44.7
362.13235	4.7
373.44174	0.7
409.14856	5.0
409.92642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01378	100.0
60.01704	1.0
61.98831	1.9
68.16651	0.9
69.52117	3.0
71.01080	0.4
71.01379	24.6
73.02949	2.6
83.01391	2.4
85.02940	7.1
89.02444	29.9
95.01389	1.8
101.02441	19.4
113.02432	12.6
119.03499	12.6
119.04308	0.9
131.03514	1.2
143.03476	3.9
156.76398	0.8
157.60693	0.7
159.03021	1.2
161.04562	11.9
163.03728	4.0
179.05623	10.6
182.09073	0.8
187.13437	5.1
229.08450	0.9
247.09476	3.5
277.48779	0.8
289.10550	1.2
295.61398	0.8
318.81723	0.9
349.18668	48.7
350.18924	3.5
384.14957	0.9
409.14944	4.1
409.20062	0.9
410.14957	0.9
428.00305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01377	100.0
60.01708	1.2
60.77015	0.8
61.98829	9.3
68.38432	0.8
69.03443	1.0
69.68887	1.4
71.01380	26.3
73.02949	4.3
78.91864	0.7
82.95406	1.6
83.01380	1.8
83.53276	0.7
85.02945	7.8
87.00909	1.2
87.67572	0.7
89.02438	24.8
95.01389	1.7
96.95999	8.0
99.00913	1.5
101.02438	16.1
108.02170	1.4
110.06143	2.2
113.02446	12.1
114.93448	0.7
119.03494	10.8
120.01231	0.7
122.06123	2.8
123.04543	1.2
131.03534	1.4
143.03516	3.2
144.04572	2.4
159.02980	1.5
161.02538	1.0
161.04558	12.5
162.05702	1.1
179.05600	7.5
182.09280	4.9
187.13406	3.8
189.27602	0.7
209.11865	1.0
227.12968	1.8
233.17706	0.7
258.10394	0.8
267.11569	1.8
285.12314	4.1
289.11163	0.8
303.13571	1.1
347.12589	2.0
349.18643	39.7
350.19003	3.0
409.20703	1.3
410.12952	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.0
61.98832	1.2
63.85070	0.7
68.34083	0.7
71.01385	6.0
72.17416	0.7
73.02934	1.5
78.90607	0.7
85.02966	2.2
87.00903	0.9
89.02452	1.1
93.63228	0.7
96.54194	0.7
101.02461	2.4
105.06654	0.7
113.02499	1.4
115.00401	2.0
161.04625	1.4
207.87804	0.7
286.23291	0.7
293.79568	0.8
307.17542	4.3
349.18622	4.0
373.13898	0.9
399.72397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03445	2.2
59.01377	100.0
60.01711	2.4
61.98538	1.7
61.98832	17.7
69.37726	5.8
71.01381	38.2
72.15916	1.1
73.02943	6.3
75.00873	1.5
82.95399	2.9
83.01384	3.0
85.02953	11.1
87.00874	1.5
87.04518	1.4
89.02445	26.3
95.01389	2.4
96.95998	1.6
99.00873	3.2
101.02443	26.6
108.02177	1.3
111.01983	6.2
112.30013	1.4
113.02446	14.7
119.03494	9.7
119.21389	1.4
123.04505	1.6
125.02396	1.2
128.03540	1.5
143.03514	3.5
144.03067	1.5
149.04514	1.6
159.02971	3.3
161.04561	19.7
161.82556	1.3
172.38029	1.3
179.05589	3.9
182.09341	7.6
187.13303	6.8
206.97243	1.1
209.04535	1.3
220.51485	1.1
313.24335	1.5
349.18677	63.9
350.19034	6.8
373.14651	1.7
409.17010	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88656	1.5
57.03452	3.9
59.01362	10.0
59.65561	1.6
69.03458	5.0
69.27336	3.6
69.27718	4.1
71.01389	2.2
74.50029	1.5
79.95692	3.8
80.91683	51.8
83.05027	3.0
84.02166	1.8
85.02956	12.8
88.28161	1.5
95.05041	3.8
96.95981	11.2
97.02965	11.2
97.06593	7.0
98.22626	2.9
99.92599	7.2
100.78387	1.9
125.09729	4.6
127.11237	3.7
135.08203	1.5
137.09677	8.2
139.11211	1.9
144.03035	2.7
150.79117	1.7
153.12793	3.0
155.10728	2.0
163.11281	1.9
165.08963	2.7
165.12845	22.5
171.10257	25.9
179.10687	2.2
183.13898	4.1
193.08459	35.0
193.12144	4.3
200.72795	1.8
201.11339	2.1
205.12051	4.4
207.10075	14.9
209.11794	3.0
211.13390	20.2
219.10069	8.2
221.11693	13.6
222.08704	3.1
229.14444	13.9
231.10066	9.7
233.11591	92.8
234.11932	4.8
243.10078	3.2
248.10193	1.9
249.11261	13.8
251.11424	23.5
251.12672	23.6
261.11057	19.5
263.03848	1.8
275.16611	1.9
279.06445	1.6
279.78659	2.0
291.19797	3.8
292.03876	2.6
294.05856	2.3
313.17880	6.6
320.03354	3.1
327.21735	73.7
328.22052	7.6
329.22998	1.9
331.18945	14.7
332.19009	1.7
335.05692	3.2
337.10880	2.7
349.19925	100.0
350.20261	9.1
394.06873	4.5
409.09229	4.3
409.20215	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	16.4
59.51987	3.9
61.98827	39.4
63.72943	3.5
69.07299	3.7
69.99443	6.7
69.99800	7.7
71.01363	8.1
78.91889	10.1
80.91671	69.0
82.95404	8.3
98.21985	7.6
99.92572	15.4
115.07667	4.5
115.92088	5.3
123.00265	4.4
129.09235	36.0
139.11208	3.7
141.09195	15.4
147.52292	3.9
155.10748	18.4
159.06197	4.2
171.10269	11.6
179.10576	8.0
185.11781	33.3
193.08447	6.8
197.11839	32.5
207.10017	79.6
209.11847	7.2
217.76221	5.6
219.10036	28.3
221.11423	6.2
233.11729	5.5
247.20776	4.9
260.10278	8.4
277.16522	4.4
280.13083	23.0
291.19614	11.8
309.20728	13.5
320.03308	6.9
321.03708	5.3
327.21747	73.6
328.22058	9.1
331.18900	100.0
332.19226	11.1
335.05576	5.8
349.19598	37.9
350.20193	4.6
374.11899	8.6
392.12839	6.4
394.06686	9.9
409.09091	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81522	100.0
92.92780	40.7
98.19225	32.3
116.76327	33.8
130.81552	36.0
137.02411	38.8
150.84174	28.9
152.99559	44.0
226.65190	30.9
360.37402	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25119	0.2
59.01381	0.5
61.21698	0.2
69.17743	1.3
73.42065	0.2
136.46294	0.2
139.91103	0.2
165.12810	0.2
177.12863	0.4
180.57140	0.2
183.13896	18.2
184.14229	0.9
195.13896	24.8
196.14247	1.5
211.13301	0.5
213.14964	100.0
214.15305	5.9
219.20337	0.2
241.21718	1.9
291.45517	0.2
333.24335	0.4
373.23605	0.5
409.29599	11.8
410.29956	1.6
427.00012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46727	10.4
59.01372	24.8
61.98830	100.0
70.21825	18.6
70.22145	24.6
71.55231	13.4
76.36189	14.7
99.92540	20.5
115.91952	14.5
213.37680	12.6
270.54745	13.5
319.88446	13.9
336.09665	21.9
338.11102	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	100.0
64.45039	13.0
68.52695	14.5
69.47631	38.2
69.48032	33.8
70.15587	15.0
80.91698	29.9
80.92687	14.2
90.09798	15.2
98.22614	26.8
106.93649	15.1
293.08224	34.5
296.62338	15.0
342.51221	15.0
367.08209	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.0
65.78329	0.7
69.54092	2.3
86.24003	0.7
96.96005	19.6
96.96600	1.1
97.93164	0.9
98.21892	1.2
99.92580	63.0
100.92599	2.7
100.93361	3.3
106.62888	0.6
115.92092	6.8
116.92857	8.3
118.89973	100.0
119.89971	4.3
119.90765	7.4
130.94073	0.6
131.01770	0.7
134.89479	6.4
135.90248	24.3
136.90268	1.0
141.93625	2.9
150.88899	1.0
158.99911	0.6
169.96780	0.8
291.19537	0.8
330.12909	0.8
341.02359	1.5
372.77780	0.7
374.07288	1.4
374.11847	14.8
375.12009	2.2
392.08298	0.7
410.09555	83.1
411.09708	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.1
60.01724	0.8
61.48969	0.6
61.98830	100.0
65.77760	0.5
67.12517	0.5
68.23267	0.5
69.40671	0.9
69.41056	1.1
71.01383	2.8
73.02953	4.3
83.01357	0.7
89.02463	1.5
95.70659	0.6
96.95996	1.2
99.84657	0.5
101.02460	3.8
102.02755	0.7
113.02454	1.3
119.03577	0.8
134.03717	0.8
137.82668	0.5
149.04567	1.1
161.04607	1.6
170.46516	0.5
180.90056	0.6
288.84387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69042	6.9
59.01368	11.6
61.98832	100.0
69.57220	14.8
75.00858	25.2
93.89715	5.8
96.04558	10.7
98.22591	8.1
99.92576	31.4
100.93355	12.0
101.61237	6.8
115.92078	16.6
115.92852	7.1
116.92865	58.0
117.92863	9.6
139.11272	9.8
145.39023	6.2
171.10266	42.8
199.13402	6.7
206.76653	7.5
221.29692	6.7
270.07339	11.5
278.63654	6.3
287.26309	6.7
294.21356	20.9
309.10245	7.1
309.20850	8.2
310.10596	16.0
311.22232	21.5
312.22559	61.7
341.07724	19.9
350.17343	55.9
374.11380	10.3
375.12469	7.5
381.82547	7.3
410.14685	7.4
410.19482	41.2
411.14630	23.7
411.19562	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24775	18.2
57.46106	19.1
59.01377	20.7
61.98825	68.5
69.46700	32.2
69.47063	73.6
86.41211	20.6
88.91643	17.4
89.50143	18.6
99.92573	60.5
100.93364	41.9
115.92088	28.3
116.92862	100.0
117.92965	16.5
137.45963	19.4
150.16615	24.6
164.14391	20.4
312.22311	23.1
389.29028	22.7
411.14816	47.9
411.20114	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50859	20.6
51.85781	21.0
55.29831	20.6
61.98814	99.6
63.01198	23.6
79.54086	23.6
99.92570	99.1
102.90862	25.7
115.92107	24.0
116.92851	92.3
117.92882	35.7
118.89967	66.3
293.21317	25.2
410.13528	74.7
410.29800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34473	1.4
70.95515	1.8
71.69775	1.4
73.20977	1.4
79.98112	1.5
84.43566	1.4
90.57803	1.2
96.96008	6.8
99.92591	35.3
100.92649	2.5
100.93355	2.1
115.92050	5.5
116.92858	4.9
118.89976	100.0
119.89982	4.1
119.90761	3.4
121.15053	1.6
134.89436	3.1
135.90266	11.9
150.88924	1.5
182.15416	1.4
205.67888	1.4
227.76639	1.5
374.11945	5.4
392.08450	3.5
410.09604	27.3
411.09705	5.1
422.67520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.0
59.74549	1.4
61.98829	1.5
66.83169	1.5
70.67891	2.0
93.03458	2.0
93.18890	1.7
158.92126	1.4
168.16440	1.3
209.06035	2.5
216.00737	3.2
218.33641	1.5
224.04732	3.2
225.05551	2.0
231.03046	3.4
236.04700	2.3
237.05501	4.1
244.47740	1.4
251.03452	5.4
252.04280	11.2
253.05040	7.0
263.03494	3.5
264.04358	2.7
265.05121	4.4
277.05060	1.4
279.02969	11.9
280.03711	20.6
281.04544	17.9
291.02975	4.3
292.03683	4.3
293.04462	4.0
295.05991	4.1
307.02399	5.3
308.03259	41.6
309.03973	36.1
310.04410	2.8
319.02530	2.8
320.03082	2.7
321.03735	1.6
323.05603	48.7
324.06406	14.7
335.05533	6.8
336.02692	5.7
337.03543	10.4
338.08008	2.8
339.08600	4.9
351.05139	14.0
352.05841	28.6
353.06097	1.8
367.08206	100.0
368.08499	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.98722	9.2
60.71462	9.5
61.98829	11.0
71.01375	63.3
71.01714	11.8
71.41798	15.1
73.02964	17.4
85.02969	12.9
89.02444	61.4
91.64642	13.0
96.96058	12.0
101.02465	19.1
113.02486	24.6
117.00433	18.8
119.03463	24.8
122.03804	17.0
126.98907	11.1
159.01440	15.1
161.04501	20.8
162.03212	17.2
170.97905	20.0
177.05539	10.6
179.05650	29.4
185.40437	11.8
187.00983	9.7
218.13969	10.9
222.03835	23.8
247.60352	9.7
248.01631	11.6
269.09955	28.7
328.97153	11.9
329.02219	9.9
351.05774	54.5
357.11618	14.6
411.11230	19.9
429.56049	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
61.98834	5.7
65.00332	8.9
69.23444	18.6
71.01405	3.3
83.87273	3.0
86.24722	3.1
91.01897	5.7
96.89567	2.9
98.21944	7.0
99.00888	3.1
109.02942	3.1
119.01389	9.5
121.02969	5.1
149.02426	5.6
201.01959	4.7
204.05759	7.0
206.03729	4.6
216.04277	7.2
217.06633	7.2
219.08127	4.9
220.05267	4.7
221.02434	3.7
221.05966	3.5
231.06662	11.5
232.05281	6.7
233.06007	8.8
234.03104	15.2
234.06952	4.9
235.03818	3.2
235.07596	9.1
245.02486	7.8
246.03384	3.4
247.03914	9.3
247.07645	13.4
248.04848	6.5
249.05544	46.1
250.06213	7.9
260.04776	6.9
261.05432	16.8
262.02652	14.1
262.06320	8.7
263.03406	7.0
263.07104	12.1
264.04443	8.3
264.07877	13.8
265.05035	5.9
265.08481	9.0
273.05420	4.3
274.06076	6.5
275.03897	7.3
275.07126	30.9
276.04239	11.9
276.07626	5.0
277.05307	21.1
277.08450	21.0
278.05765	5.5
279.06519	11.8
280.06967	3.8
281.04181	3.3
287.06979	5.5
289.04892	5.8
290.05814	6.4
291.02966	33.9
291.06580	13.1
292.03970	4.4
292.07352	38.8
293.05035	3.8
293.08163	14.3
295.06198	9.2
295.09769	36.4
296.09955	4.4
304.03738	8.0
305.04535	16.3
305.08154	34.7
306.05453	22.4
307.06021	13.4
307.09692	98.2
308.10147	7.1
309.07697	4.8
319.06122	74.3
320.06583	14.0
321.03928	5.7
321.07651	100.0
322.04678	12.8
322.08148	8.1
335.09192	22.0
337.07159	38.7
337.10846	12.2
338.07474	6.9
342.36862	3.4
351.08661	19.7
352.09436	33.7
367.11935	8.7
384.08539	4.2
403.50916	3.4
411.07187	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.0
61.98835	6.6
69.31214	5.3
69.34591	1.0
69.89248	1.0
71.01379	8.7
72.00906	26.3
73.02949	2.4
74.02473	24.0
82.95408	2.9
85.02958	4.2
86.91197	1.2
87.00859	1.7
89.02435	2.3
96.95979	1.4
99.00840	1.5
99.92569	1.3
100.00406	52.8
100.04023	3.3
101.00702	1.0
101.02431	4.4
105.43177	1.1
113.02445	3.1
113.92691	1.0
115.29173	1.0
116.92834	1.3
118.05106	100.0
119.05456	1.9
121.07402	1.1
133.05086	3.6
134.04747	1.4
135.14601	1.4
141.35620	1.1
143.61130	1.1
144.03029	35.3
160.02658	4.8
161.04529	5.7
167.03505	3.0
173.04562	1.2
182.09361	2.0
210.65453	1.1
248.97090	1.5
279.14532	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01377	100.0
60.01725	1.9
62.65336	1.6
70.59318	2.2
71.01386	9.9
73.02956	4.4
83.01369	2.9
85.02976	7.2
96.96011	3.3
101.02430	10.9
113.02464	6.1
126.29822	1.8
134.03758	2.3
143.15173	1.7
161.04468	3.3
177.01756	1.6
178.02609	2.5
229.19247	2.6
237.05592	4.9
252.04169	2.0
253.04961	2.4
264.04172	2.4
265.05066	11.2
279.03122	2.6
279.06445	2.6
280.03705	3.4
281.04529	2.8
289.16608	11.8
292.03613	2.1
293.04553	7.7
307.06003	2.4
308.03207	6.8
308.06863	8.7
309.04080	4.0
323.05701	8.5
323.09103	2.4
324.06174	5.2
352.05966	12.9
367.08160	33.8
368.08511	4.2
402.54526	1.9
411.19791	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1478
Annotation	Viscosol
Peak:m/z	Relative Intensity
50.44973	1.5
59.01371	2.4
61.98827	22.8
69.81902	5.4
73.00993	1.8
75.00884	1.9
81.64330	1.6
83.93056	2.0
84.93882	3.9
99.92583	65.5
100.93354	18.1
107.47895	2.3
113.09737	2.8
115.92068	32.4
116.92860	100.0
117.92874	6.0
159.62823	2.3
278.06061	2.9
311.22293	3.6
313.23410	5.2
322.05121	24.0
375.12653	3.1
389.10669	2.6
393.13617	4.9
411.14789	58.9
411.20203	3.0
412.15076	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
58.99599	2.0
59.01074	1.3
59.01379	23.3
61.78830	0.5
69.41306	2.4
71.01379	22.8
73.02949	7.8
75.21156	0.6
78.11942	0.7
81.03456	1.4
83.01383	2.7
83.05025	3.0
85.02943	12.1
87.00874	51.3
88.01214	0.6
88.04845	0.5
89.02448	3.2
95.01383	2.4
99.00885	2.4
100.07658	1.2
101.02438	14.0
113.02459	8.8
113.09714	3.6
119.03473	1.1
143.03476	1.0
157.17599	0.7
158.51743	0.6
159.02966	2.3
159.08430	3.3
161.04575	10.8
161.10052	100.0
162.10336	3.4
163.54259	0.6
166.62393	0.6
189.12880	0.8
205.07126	0.7
228.28012	0.6
231.10506	2.9
243.99211	0.6
249.06143	42.9
250.06548	1.1
265.14304	0.6
289.43170	0.6
384.22964	0.6
395.80463	0.6
411.16922	93.3
411.27432	6.5
411.77524	3.9
412.17154	8.2
412.36285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
58.70068	0.5
59.01381	100.0
60.01732	0.8
61.98839	1.9
69.18736	2.9
71.01385	19.5
73.02949	32.1
75.00906	0.9
83.01389	7.9
84.61987	0.6
85.02941	4.5
86.74207	0.5
87.00906	1.2
89.02445	6.7
92.33315	0.7
95.01395	1.0
99.00869	1.2
101.02451	23.5
107.18963	0.6
113.02456	10.1
119.03518	3.2
120.82792	0.5
125.02526	1.3
127.00404	0.8
131.03532	2.1
131.07141	0.7
134.03749	1.1
135.04572	1.1
137.09735	6.8
143.03529	2.2
144.03047	0.8
149.04590	1.4
155.03539	0.7
161.04581	4.3
179.05702	0.7
185.85388	0.6
189.12964	1.1
257.17874	0.9
277.14215	0.7
279.15848	1.0
293.10397	1.0
339.18005	1.9
411.12466	0.8
411.17142	0.8
435.34039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09341	0.3
55.01887	0.8
57.03446	1.0
58.48546	0.4
59.01378	100.0
60.01711	0.9
61.98825	0.5
62.42695	0.4
63.02654	0.4
69.03466	0.9
71.01380	18.9
72.99305	0.4
73.02945	32.8
73.65794	0.4
74.03287	0.4
83.01388	6.8
85.02950	4.7
87.00882	6.1
89.02439	8.2
95.01399	0.8
97.02966	0.8
99.00901	0.7
101.02441	23.8
113.02454	10.7
119.03503	3.1
121.06580	0.9
125.02435	0.6
127.00404	0.6
131.03528	2.2
134.03751	0.7
135.04570	0.5
137.09717	7.9
138.10028	0.6
143.03534	1.3
149.04581	1.4
155.03593	0.5
161.04556	4.7
161.10068	10.8
179.05638	0.8
189.12938	1.3
203.05521	0.4
231.10699	0.6
245.30023	0.5
249.06120	4.4
411.17001	7.8
412.17468	0.5
439.65164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03446	1.0
59.01378	100.0
61.31835	1.2
61.98826	7.8
69.03448	4.5
71.01381	23.6
72.99313	1.7
73.02934	6.8
82.94951	1.0
83.01373	2.7
83.05017	1.2
85.02959	10.2
87.00862	2.4
88.72970	1.1
88.98797	1.0
89.02449	15.1
95.01381	2.1
96.95998	1.8
97.02972	1.7
99.00885	3.0
101.02447	23.2
102.60646	1.1
111.00880	2.4
113.02441	10.6
119.03522	7.4
119.47828	0.9
136.72871	1.0
143.03494	1.3
144.03044	1.6
159.02994	1.5
161.04543	8.1
162.02614	1.0
184.49081	0.9
185.00963	2.0
187.07578	1.5
189.14911	2.6
197.24222	1.0
204.08340	1.0
249.10890	1.3
255.08871	6.1
297.10840	1.3
315.96353	1.6
351.20215	89.6
352.20505	7.9
375.12918	2.2
411.16959	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	1.3
56.96988	1.0
57.03428	1.3
59.01379	100.0
60.01702	2.3
61.98829	7.3
63.35906	0.9
69.03121	1.0
69.03438	5.6
69.73686	2.0
69.73994	1.2
70.06954	1.0
71.01380	25.7
72.99303	1.1
73.02956	5.2
83.01389	2.9
85.02943	10.2
87.00867	2.2
89.02454	18.4
95.01391	1.1
96.95952	1.5
97.02945	1.5
98.22001	1.9
99.00888	3.2
101.02438	19.7
111.00882	1.7
113.02442	11.1
119.03513	6.3
137.03577	1.1
142.15672	1.0
143.03490	1.3
144.02989	3.7
159.02988	1.5
161.04578	7.5
174.01607	1.0
179.05627	2.3
185.00896	3.3
189.14984	2.1
212.08391	1.4
218.40359	1.0
244.03404	1.1
249.11197	2.1
255.08882	4.9
257.86652	1.2
268.26935	1.0
275.09415	1.2
300.19131	1.1
300.22638	1.3
351.20230	88.1
352.20682	6.8
365.17001	1.2
375.13129	1.5
400.97568	1.2
411.11554	1.4
411.16824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01356	4.7
61.98826	3.8
70.20855	2.0
70.21194	1.9
78.91857	2.5
80.91679	55.1
83.04987	1.5
83.34214	1.1
84.95135	1.6
90.12748	1.1
95.05046	1.2
99.08166	5.3
99.92568	5.0
110.27419	1.0
113.36765	1.0
115.92052	1.4
120.59681	1.0
125.09663	2.4
127.11275	2.9
137.09743	1.2
139.11270	6.7
141.09207	1.3
157.12318	1.4
163.11247	2.3
165.08971	1.9
165.12846	17.7
171.10277	11.7
183.13933	3.9
193.08447	22.5
193.12173	2.5
197.11826	1.5
203.10635	1.8
205.12135	5.0
209.11836	8.9
211.13385	23.5
219.10066	2.2
221.11598	11.0
229.14429	15.7
230.14679	1.4
231.10049	9.8
233.11569	100.0
234.11877	6.4
240.23068	1.3
249.11195	11.8
251.12517	28.3
251.16422	5.7
252.11349	2.4
277.17990	3.9
294.05457	3.8
307.19104	1.7
325.20184	4.3
329.23306	56.5
330.23682	4.1
351.21487	92.5
352.21762	7.4
375.12546	1.8
393.13754	1.8
411.22498	5.3
412.23264	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04797	2.3
59.01377	100.0
61.11892	2.5
61.32972	2.4
69.24551	10.2
69.24976	4.0
72.88853	2.6
85.83092	2.8
96.96073	2.7
139.85323	3.0
149.53409	2.5
150.65399	2.4
243.95946	2.8
277.21729	9.1
434.55576	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	0.8
79.98105	1.2
98.21790	0.9
130.08144	0.6
149.83784	0.7
297.20694	0.6
411.24036	0.7
411.31195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56559	0.7
59.01378	100.0
69.11267	1.1
69.11671	3.1
74.83199	0.8
98.22633	1.2
121.89455	0.7
141.04291	0.7
192.49841	0.8
209.17233	0.7
243.22543	1.1
394.31647	0.9
411.24557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	59.6
61.98832	67.9
63.21906	5.0
65.89681	4.6
75.01092	5.1
85.02952	18.7
101.37460	5.1
121.06559	11.6
125.86253	5.5
131.05025	22.0
145.02983	5.5
159.04533	9.6
187.03995	100.0
202.06401	15.2
203.07162	10.8
242.44040	6.3
244.93538	5.4
345.16522	6.6
353.13947	14.6
398.13626	20.7
403.16592	5.7
413.16125	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08989	0.6
60.59109	0.6
61.98819	1.4
68.43671	0.5
70.45810	0.9
94.92534	0.6
96.00946	0.7
96.96007	20.5
96.96957	0.9
97.93166	0.7
99.92580	42.1
100.92597	2.5
100.93358	5.0
105.14018	0.5
114.01208	0.5
115.92072	9.3
116.92068	1.0
116.92847	9.7
118.89973	100.0
119.89980	4.1
119.90769	3.9
121.54173	0.5
134.89468	27.4
135.90273	10.9
141.93683	0.8
150.88979	1.6
206.32950	0.5
224.74722	0.5
307.06406	4.0
308.07022	0.8
321.04355	1.2
322.05145	1.5
325.02887	1.2
339.05331	1.8
340.11298	3.8
354.62436	0.6
357.01764	0.8
358.12402	23.9
359.12509	2.7
372.10236	2.3
376.08932	3.7
376.13397	29.8
377.09430	1.1
377.13699	4.1
412.11090	8.1
413.11337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.4
64.09379	1.3
69.75492	5.0
80.90558	1.3
96.95999	7.7
97.93143	1.3
99.92582	64.4
100.92621	3.3
100.93327	2.5
108.67516	1.2
115.92063	9.1
116.92837	8.7
118.89971	100.0
119.89984	4.5
119.90772	5.2
120.89721	1.4
134.89471	4.8
135.90250	20.5
150.89021	2.3
358.12402	2.3
359.13766	1.3
376.13431	15.1
394.09866	2.2
412.11136	81.0
413.11298	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21163	0.5
59.01382	3.5
61.98832	29.7
65.07729	0.5
69.95527	1.5
70.25778	0.6
71.01382	10.1
72.99306	1.3
82.95381	0.8
85.02962	0.7
87.00880	57.8
87.04524	1.2
88.01229	0.8
89.02441	5.5
96.00909	1.3
96.96004	1.2
98.21870	0.5
98.95552	0.7
99.00883	3.6
101.02457	1.0
115.02305	0.6
125.95602	0.5
133.05078	100.0
134.05418	2.3
147.03264	1.4
147.06938	0.7
150.05571	0.8
154.06223	0.6
157.05356	0.8
160.04062	1.6
172.07684	0.8
174.05600	0.8
175.06358	0.9
190.08752	3.6
206.08142	1.1
216.06677	0.7
234.07698	6.2
278.06625	2.7
324.11026	2.8
357.37759	0.6
380.82611	0.6
394.11618	1.2
412.12704	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98829	100.0
69.50191	0.6
69.50589	1.0
71.01381	0.9
72.71500	0.3
73.02957	0.3
87.00888	0.6
89.02454	0.6
91.87711	0.3
95.33386	0.3
98.22585	0.7
101.02482	0.4
113.02507	0.3
132.34000	0.3
133.05096	1.5
143.26225	0.4
143.60144	0.3
174.03423	0.3
198.40399	0.3
223.06084	0.4
248.90065	0.4
352.19754	0.4
377.56952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32837	0.3
59.01378	2.6
61.98828	100.0
71.01385	1.2
80.05848	0.3
82.95437	0.6
85.02982	0.3
87.00873	0.8
88.98883	0.3
89.02476	0.8
96.95976	0.7
101.02457	0.7
110.26549	0.3
116.05710	0.3
127.05177	0.3
129.17024	0.3
133.05083	0.7
159.04489	0.3
176.01138	0.6
191.03558	0.5
193.05168	0.4
305.67065	0.3
356.26382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36452	9.1
54.42739	9.8
59.01164	8.3
59.01385	100.0
61.98810	14.8
69.82366	28.3
71.01367	39.9
85.02968	13.4
89.02432	42.5
98.21884	17.2
101.02437	16.0
109.13322	9.5
113.02427	20.4
119.03468	21.1
161.04507	16.9
172.17427	9.5
179.05650	11.3
197.54008	10.3
197.92435	10.4
214.14735	10.1
240.25595	9.5
272.23978	10.9
272.76416	12.2
356.83307	10.4
413.23874	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98840	33.7
69.48911	20.7
71.01380	38.3
89.02445	69.3
89.38959	7.0
90.90691	6.5
96.96052	8.4
98.21768	7.0
101.02444	28.7
113.02441	20.6
119.03508	22.3
124.00870	7.6
152.99582	19.0
161.04628	8.6
179.05655	16.5
201.97966	6.8
205.82411	7.5
238.07915	6.8
270.04486	6.5
322.05264	7.3
363.23743	7.1
382.06497	7.4
424.79739	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98797	11.3
53.42745	14.2
57.59026	11.2
59.01373	100.0
59.59667	11.8
62.86074	12.1
68.48664	10.6
69.33158	22.3
69.33552	30.2
71.01374	45.6
74.79031	11.2
89.02441	47.2
89.07583	10.9
96.96026	17.3
101.02443	21.4
113.02425	20.6
119.03511	18.8
179.05664	18.7
185.77370	11.8
188.27957	12.7
227.75571	12.0
239.41013	15.0
244.47131	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98819	35.8
69.21584	63.2
70.50838	10.7
71.01366	39.0
73.38124	10.6
73.45889	10.2
78.85423	11.2
89.02445	31.4
97.90120	11.0
101.02419	15.4
113.02451	21.8
119.03527	18.5
122.82123	12.6
126.88229	13.0
179.05675	14.2
209.15483	9.9
212.86977	11.8
254.61360	12.6
269.12964	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55912	0.4
57.03443	0.6
59.01385	3.1
61.98834	4.6
66.91305	0.4
70.67265	0.7
71.01380	1.1
71.05019	0.5
73.02920	0.4
80.02663	1.3
81.03442	1.3
83.05028	6.9
84.02168	1.9
85.02972	0.8
86.02473	1.0
93.03458	0.4
95.05024	1.4
97.06564	1.1
99.08113	1.0
99.92583	1.2
103.00410	0.5
104.03542	0.8
105.01921	3.1
109.06564	0.6
113.06080	0.9
114.87620	0.4
115.07642	0.8
119.04961	0.4
125.06070	0.8
125.09705	1.2
127.07639	5.1
135.08141	0.9
137.09726	0.6
139.07635	0.6
143.07112	0.5
148.15005	0.4
155.10779	0.9
163.11292	6.0
164.11513	0.5
165.12843	4.3
178.09947	1.3
181.12361	1.1
185.11823	6.9
191.10793	1.7
195.89459	0.4
197.11853	7.0
207.10323	0.9
209.11830	100.0
210.12169	4.8
211.13383	1.4
227.12892	12.7
228.13214	0.6
238.12144	2.8
239.16568	0.6
245.19049	1.3
256.13141	1.7
278.18518	0.5
279.19681	0.7
281.21671	0.5
289.18054	3.5
307.19156	29.3
308.19345	2.2
325.20190	43.0
326.20532	3.8
347.95276	0.4
368.24417	1.0
412.23383	38.7
413.23569	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	6.7
69.80315	5.9
69.80638	7.8
96.95997	30.0
99.92570	50.6
100.93370	8.1
115.92068	11.4
116.92867	16.1
118.89977	100.0
119.90810	5.8
128.41205	4.1
134.89514	22.8
135.90251	12.4
201.62256	4.6
218.89925	5.0
262.79199	4.8
340.11356	12.3
358.12280	14.2
376.13419	42.1
377.13837	8.1
412.11090	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85783	3.1
58.45497	3.3
60.34040	3.2
61.98824	16.5
70.07780	10.3
86.28575	4.2
90.38964	3.4
96.96004	10.7
98.22501	5.1
99.92579	76.2
111.65179	3.5
115.92097	7.8
116.92848	13.6
118.89970	100.0
119.89967	4.9
134.89456	10.7
135.90244	20.1
176.31078	4.3
376.13306	13.0
412.11130	73.9
413.11047	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	78.8
63.91787	20.2
69.48951	90.7
73.43298	18.1
87.46996	21.3
96.95988	26.6
99.92582	93.1
116.92805	19.7
118.89973	100.0
134.89481	46.5
197.65881	19.3
268.48199	18.0
376.13257	58.6
412.10681	31.3
413.22778	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06209	33.3
54.16029	31.2
61.98816	67.7
69.60824	100.0
73.76692	38.0
85.99190	38.3
99.92612	70.3
109.30121	35.8
118.89953	42.7
120.89674	50.9
130.67668	36.0
146.70709	29.3
166.59123	35.5
244.69142	37.2
254.80182	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0875
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
50.79679	1.2
57.03434	1.4
59.01376	51.7
61.98822	3.9
69.28036	2.8
69.28419	3.6
71.01386	8.3
73.02946	3.2
77.03959	2.5
79.01889	2.1
83.01369	2.6
85.02962	6.4
87.00888	2.6
89.02425	5.7
93.03449	1.9
95.01402	1.3
95.07274	1.4
96.96016	2.0
101.02435	5.9
105.01906	1.9
113.02428	4.4
117.03445	12.6
119.03496	2.0
119.04990	1.4
121.02960	3.8
125.02443	2.1
126.68179	1.4
127.00348	2.1
129.01912	1.8
135.04497	3.0
137.94470	1.5
149.02460	2.3
159.03020	2.6
159.04517	2.3
160.58910	1.4
161.02394	5.2
161.04471	2.0
163.00400	6.6
163.04001	3.3
165.01961	2.9
183.04657	1.5
197.05881	1.6
208.05420	1.5
210.06932	1.8
237.05559	2.3
239.07196	3.0
240.45413	1.7
251.16574	1.5
253.05067	4.0
267.02969	1.8
268.03894	2.5
269.04617	13.5
281.04529	55.3
282.05304	37.4
283.06073	49.6
284.06433	3.3
293.04642	2.5
295.02475	2.1
295.05969	2.4
297.04092	4.9
308.03183	7.2
309.04047	35.5
310.04761	12.7
311.05591	100.0
312.05933	8.2
314.04300	5.4
321.03934	4.9
323.05563	3.3
325.03442	2.3
327.01172	2.5
327.05051	49.7
328.05396	2.9
339.05185	2.8
341.06662	5.6
367.08267	2.4
377.06500	3.5
381.06277	1.9
395.07721	20.8
396.07785	3.0
413.08792	59.4
413.21573	12.0
414.09067	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71421	0.5
54.43423	0.4
56.35686	0.5
59.01377	8.8
61.98821	0.8
69.03452	0.4
70.97539	0.5
71.01383	7.1
73.02949	0.8
74.99385	0.8
83.01393	0.9
85.01446	1.4
85.02945	0.5
95.01372	0.7
98.99367	3.8
99.00841	0.8
101.00954	2.4
101.02454	0.7
102.98861	0.7
108.02174	100.0
109.03024	6.4
113.00977	0.6
113.02423	1.0
117.00443	4.5
118.99090	0.5
121.02982	0.5
123.04548	0.9
125.00925	2.5
126.98887	2.5
130.08736	15.2
141.00450	17.0
141.01558	0.9
142.00558	1.2
145.00026	0.8
151.04031	1.8
153.00420	3.3
155.02007	3.2
157.03572	0.8
159.01512	0.7
161.04547	1.5
163.04057	1.2
165.87471	0.5
167.02020	2.1
168.99924	5.1
170.00073	0.7
171.01494	0.5
173.03059	1.1
183.01497	5.6
184.01758	0.6
195.01457	0.9
199.01060	1.4
201.02545	4.8
208.02272	0.9
209.03072	1.5
211.01060	0.6
213.02545	1.0
230.08893	1.5
233.03101	1.7
243.01192	0.5
243.03578	11.0
244.03764	1.3
250.03319	10.1
263.04205	0.6
270.08459	1.0
271.08420	1.4
272.09912	12.8
293.05008	1.0
334.92944	0.5
353.07278	48.8
354.07492	7.2
413.09424	31.5
414.09897	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1241
Annotation	Dulxanthone G
Peak:m/z	Relative Intensity
57.20320	0.9
59.01371	4.2
61.98830	46.0
69.03445	1.5
69.09914	6.7
71.01380	1.5
83.39545	0.8
85.02973	1.5
89.02470	1.0
89.03973	2.1
93.03458	1.3
94.96899	0.9
103.00405	0.9
106.04261	1.1
113.02422	1.3
117.03460	15.7
119.05029	53.0
120.05363	1.6
121.02939	2.3
128.87941	0.9
132.02170	4.5
133.02945	7.3
134.03740	66.5
135.04495	2.7
137.02454	2.1
145.02971	22.2
145.06625	1.8
146.83702	0.9
147.04515	1.2
149.06071	8.5
155.11139	0.9
160.01666	14.7
161.02403	3.6
161.06078	1.2
163.04019	42.3
164.04442	1.7
165.26762	0.9
175.03998	10.0
177.05585	8.6
178.02589	1.6
193.05049	40.1
194.05435	2.1
205.28766	1.1
219.06641	5.3
222.72284	1.0
235.06021	5.3
237.07558	2.2
249.07690	3.8
251.03528	1.4
252.06381	1.3
267.08990	1.3
279.02969	3.5
328.50906	1.1
363.57367	1.0
366.03943	5.4
381.06094	4.3
413.12430	100.0
414.12769	11.1
414.17868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
61.98828	3.2
65.13377	0.3
66.88267	0.2
69.28207	0.2
70.03390	0.5
70.03725	0.2
71.01379	11.8
85.02943	0.4
87.00874	6.5
87.04523	1.7
89.02444	5.2
96.96005	0.4
96.96918	0.3
99.00862	0.4
100.04033	0.3
101.02428	0.2
101.28856	0.3
111.36782	0.2
114.05662	0.3
124.55836	0.2
130.00505	0.2
133.05067	100.0
134.05402	2.0
144.03023	1.7
153.11794	0.2
173.02429	0.2
207.68858	0.3
241.07953	0.3
261.08847	0.3
279.09781	1.1
297.10925	0.3
413.15399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21161	2.0
58.39137	2.0
59.01379	100.0
61.98810	4.3
69.27248	9.7
71.01389	10.0
73.02930	5.4
83.01373	3.4
85.02955	6.7
87.00876	2.3
89.02471	2.4
95.01389	2.3
96.25349	2.0
101.02424	13.6
113.02409	6.2
152.06250	2.2
208.05281	17.3
209.05583	3.1
218.32050	1.8
223.07726	2.8
236.04776	24.3
237.05045	4.6
237.14725	1.9
251.07091	18.0
252.04146	5.2
268.03665	5.3
280.03799	11.2
291.18048	15.7
293.21204	6.1
295.06107	58.7
296.06458	5.2
310.08490	33.1
311.05615	5.0
327.20053	10.0
369.09839	24.0
370.10114	3.1
395.25967	1.8
413.21732	6.7
414.23053	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1605
Annotation	FO 608B
Peak:m/z	Relative Intensity
50.90961	0.9
59.01381	59.0
61.98829	6.2
64.74675	0.9
67.21536	0.9
70.54538	1.8
71.28097	0.9
75.42077	0.9
84.95085	0.7
85.55272	0.8
98.94238	1.2
103.05510	1.4
103.86499	0.8
117.03466	1.1
121.06595	12.2
125.09724	1.7
125.98289	1.0
131.04068	1.7
131.05029	25.1
136.16153	1.0
143.05009	0.9
145.02962	8.0
147.04570	1.2
153.05585	1.1
157.06630	1.4
158.03712	0.9
159.04521	7.5
159.08089	1.1
161.02493	1.2
172.05244	0.8
173.92410	1.0
174.03189	2.9
175.03949	4.1
177.05513	1.4
185.05965	0.9
187.04002	100.0
188.04352	6.5
191.02032	1.0
201.05528	1.8
202.06354	13.3
203.07147	12.1
205.05052	1.4
219.66956	0.9
291.06430	0.9
309.11368	1.5
310.12070	1.3
321.11279	2.2
325.37900	0.8
326.11588	2.4
338.11588	7.4
341.13882	2.0
351.12482	2.2
353.13947	11.7
354.14267	1.8
356.12555	1.4
365.97906	1.0
371.14777	2.0
381.13535	1.2
383.15097	1.9
398.13712	19.7
399.14191	2.1
413.15982	27.0
414.16153	4.2
426.34921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01875	2.0
57.03445	2.2
59.01381	20.1
61.98825	1.1
69.03438	0.7
69.90355	0.8
69.90720	0.3
71.01379	18.3
72.99300	0.6
73.02942	6.4
83.01390	4.0
83.87917	0.3
85.02947	11.1
87.00874	1.3
89.02439	4.0
95.01373	1.9
96.96021	0.4
97.02923	0.5
98.03738	0.4
99.00889	2.7
99.04482	1.5
101.02436	10.4
102.02776	0.3
113.02453	6.7
119.03500	1.3
129.01936	1.1
159.03020	0.5
161.04562	1.1
170.88785	0.3
178.77251	0.3
181.58675	0.3
189.74811	0.4
235.17001	9.2
236.17273	0.6
251.16499	5.5
344.56088	0.3
413.21780	100.0
414.22141	10.8
414.27859	0.3
419.81473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69006	0.6
58.69300	0.5
59.01376	100.0
60.01709	1.5
61.98836	0.9
69.46658	1.5
71.01386	3.7
73.02932	2.8
75.00828	0.5
83.01401	0.9
85.02969	1.4
89.02427	3.7
96.96036	1.0
101.02434	3.5
113.02457	1.9
119.03513	0.8
121.63320	0.5
130.08702	0.5
161.04604	1.0
179.05766	0.6
354.66312	0.6
423.45551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03442	1.2
58.30272	0.3
59.01382	100.0
60.01723	0.7
66.19411	0.4
69.70887	1.3
71.01385	9.4
73.02952	4.3
83.01387	1.7
85.02949	5.4
89.02445	2.0
95.01421	0.7
97.02933	0.5
98.22607	0.6
99.00908	0.7
101.02455	6.3
105.05865	0.4
113.02461	3.5
137.09714	0.4
161.04553	3.4
171.76466	0.4
209.15508	1.4
210.36882	0.4
353.19763	2.1
371.20749	10.1
372.21078	0.9
413.21884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.52682	2.9
85.57339	0.7
98.21889	1.0
132.25354	0.8
136.80751	0.7
150.78682	0.7
168.83060	1.0
171.99402	0.8
198.10852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	1.3
69.21738	4.0
76.23158	0.8
98.21841	1.6
125.38522	0.8
172.26640	0.8
241.66692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31384	0.3
59.01374	1.8
61.98829	100.0
63.18583	0.3
69.37829	1.4
71.01389	0.5
85.02979	0.4
98.22581	0.7
101.02441	0.7
104.92593	0.3
105.03431	0.4
117.03416	0.4
119.05013	1.4
120.05383	0.4
121.02947	2.4
133.02991	2.3
134.03745	1.0
135.04161	0.7
145.02975	0.5
163.04073	1.0
164.04399	0.6
177.01964	1.4
178.02734	0.5
193.05153	0.7
194.05434	0.8
222.05428	0.6
237.07668	0.6
249.05687	1.1
277.05096	0.5
292.07513	0.6
307.09961	0.4
325.10806	0.9
336.06442	0.9
351.08694	3.3
357.06253	1.4
380.42346	0.4
413.21967	0.5
414.13138	2.2
415.23602	0.7
422.18762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80339	0.4
59.01375	19.8
65.16681	0.3
69.63180	1.3
72.15749	0.4
74.99359	0.4
82.91371	0.3
85.02943	0.5
108.02170	0.8
117.00459	1.2
128.07141	1.0
130.08736	100.0
131.09088	2.3
132.00452	0.4
157.03564	1.3
159.01505	0.6
172.01009	0.5
180.06659	1.2
188.07803	1.0
201.02538	14.1
202.02698	1.0
210.06017	0.4
228.07349	2.1
230.08838	5.8
231.09030	0.5
242.55009	0.4
272.09885	58.2
273.10129	4.9
294.02530	0.3
299.14560	1.4
301.16187	2.7
354.07446	0.4
414.11053	5.9
414.24573	36.8
415.10999	1.1
415.24792	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	5.5
62.65141	2.0
69.44022	10.2
82.41123	1.7
96.96002	51.2
96.96960	3.1
98.22588	4.8
99.92586	100.0
100.92588	5.4
100.93352	6.3
115.92082	20.3
116.92854	32.7
118.89977	87.9
119.90008	4.0
119.90770	13.8
119.95120	2.0
134.89484	68.4
135.90286	29.2
136.00772	2.8
165.80878	2.2
192.10684	2.1
342.12589	2.9
360.13971	47.9
361.13983	4.7
374.11951	6.0
376.16211	2.4
378.10727	5.9
378.15002	76.9
379.15213	8.6
392.12881	7.0
396.11591	2.9
414.12772	21.0
415.12735	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15553	3.7
54.47228	3.4
57.03437	3.5
59.01382	28.6
60.40003	3.5
60.49841	3.5
61.98828	100.0
71.01373	12.1
73.02939	3.9
82.95413	4.2
85.02955	10.7
87.00851	3.4
88.04040	5.7
89.02423	11.0
89.08698	3.4
95.71524	4.1
96.74643	3.5
96.96020	4.3
101.02462	4.4
102.05573	4.1
113.02433	8.8
114.05668	4.0
116.07153	4.7
121.02986	4.5
128.03546	9.3
131.68143	4.0
135.04482	5.2
143.11909	4.5
143.74692	4.1
146.03740	22.7
161.02547	3.9
161.06094	9.0
164.04797	14.3
167.03503	9.1
173.04610	4.4
176.01114	7.4
177.01601	7.3
179.07135	51.3
191.01941	4.8
191.03548	6.8
191.05489	5.5
192.03828	10.1
271.65240	4.8
322.50012	3.9
388.19693	3.9
393.28513	3.9
414.19040	7.3
414.23846	8.5
415.15811	11.3
415.21927	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03441	2.5
59.01378	100.0
60.01717	7.1
61.98534	1.7
61.98831	12.7
63.00906	1.2
65.68774	1.1
71.01379	28.3
72.99307	3.0
73.02943	7.1
74.90442	1.3
75.00865	2.8
76.31506	1.1
79.06919	1.2
82.95392	1.1
83.01395	2.2
85.02959	11.6
87.00876	3.9
88.01147	1.6
88.04059	2.1
89.02451	17.1
95.01378	3.9
96.96008	3.0
99.00874	3.1
101.02458	18.3
102.02768	1.4
113.02443	12.8
119.03508	9.4
120.99673	7.2
129.01897	1.5
143.03558	1.6
147.02945	1.9
159.02916	1.5
161.04578	6.2
162.10300	1.4
163.09616	2.5
164.09953	1.8
171.10281	2.7
179.05524	2.1
198.22499	1.5
201.11353	10.5
209.11784	1.6
235.13300	2.3
252.06873	1.5
267.16055	6.1
297.20767	3.0
298.73773	1.3
307.19089	2.6
341.19708	3.6
372.21298	1.8
397.22519	2.5
414.17072	6.0
415.19095	4.0
415.23849	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01380	100.0
60.01722	6.3
61.98837	2.4
64.97865	1.2
67.48493	1.4
69.46348	5.4
71.01388	24.8
72.99314	1.8
73.02943	5.2
75.83696	1.1
83.01382	2.6
85.02955	9.2
89.02452	20.2
95.01403	2.5
99.00876	2.7
101.02456	18.3
104.82582	1.1
113.02446	11.4
115.23626	1.2
119.03503	7.2
131.03526	1.7
143.03476	2.0
161.04596	8.0
179.05579	1.4
259.35132	1.2
280.15524	1.3
371.20828	1.4
415.23743	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01380	100.0
60.01722	6.3
61.98837	2.4
64.97865	1.2
67.48493	1.4
69.46348	5.4
71.01388	24.8
72.99314	1.8
73.02943	5.2
75.83696	1.1
83.01382	2.6
85.02955	9.2
89.02452	20.2
95.01403	2.5
99.00876	2.7
101.02456	18.3
104.82582	1.1
113.02446	11.4
115.23626	1.2
119.03503	7.2
131.03526	1.7
143.03476	2.0
161.04596	8.0
179.05579	1.4
259.35132	1.2
280.15524	1.3
371.20828	1.4
415.23743	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98026	11.0
59.01374	100.0
61.44465	12.3
61.98830	15.8
63.51535	10.7
70.16022	12.3
70.16354	25.2
71.01380	28.2
85.02935	17.4
89.02439	32.1
96.95984	14.5
101.02435	11.1
102.05621	20.8
113.02433	23.0
116.70703	11.7
119.03577	11.2
120.99717	11.1
121.06544	12.0
128.03525	27.6
130.64085	12.4
187.10837	26.6
293.08786	13.7
360.10712	13.2
376.93661	11.6
414.21078	21.4
415.19519	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98026	11.0
59.01374	100.0
61.44465	12.3
61.98830	15.8
63.51535	10.7
70.16022	12.3
70.16354	25.2
71.01380	28.2
85.02935	17.4
89.02439	32.1
96.95984	14.5
101.02435	11.1
102.05621	20.8
113.02433	23.0
116.70703	11.7
119.03577	11.2
120.99717	11.1
121.06544	12.0
128.03525	27.6
130.64085	12.4
187.10837	26.6
293.08786	13.7
360.10712	13.2
376.93661	11.6
414.21078	21.4
415.19519	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05783	1.4
50.71344	1.1
53.62361	1.1
59.01374	6.0
61.98834	11.1
62.51730	1.0
71.04990	1.2
80.02695	1.5
83.05031	7.7
86.02480	2.0
114.55000	1.1
120.01236	2.8
125.09753	2.1
127.07665	1.4
129.09219	16.3
135.08127	1.4
141.09207	7.1
141.12814	1.5
141.65820	1.1
145.02959	1.3
163.11246	5.3
165.12848	4.0
181.12341	1.3
185.11832	29.0
197.11827	28.1
209.11832	100.0
210.12189	5.3
227.12877	14.6
234.06534	1.6
262.05820	2.7
281.12802	2.5
290.05475	1.8
291.19672	10.2
309.20816	9.6
320.06366	2.9
327.21783	91.2
328.22159	7.5
338.07593	6.2
352.09390	1.6
414.24969	65.2
415.13788	3.0
415.25043	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	11.8
61.98829	100.0
66.25279	4.7
109.06618	11.3
125.95008	4.6
164.11598	4.5
171.10245	7.5
207.10243	12.4
303.43793	5.2
379.08258	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96941	2.1
59.01381	30.7
61.98827	27.0
69.42317	8.9
71.01379	6.8
73.02959	2.4
81.00638	2.0
85.02954	11.5
87.00873	8.2
88.04050	4.4
89.02438	8.7
96.96013	6.0
98.21819	2.7
99.00915	12.2
113.02434	5.3
115.00373	5.0
119.03502	2.1
128.03561	2.7
129.10318	3.2
130.08659	2.2
131.08325	1.9
134.03738	64.0
135.04448	3.9
137.02493	5.0
144.26756	1.9
149.04561	5.5
149.06075	20.5
173.04539	3.0
178.02737	18.1
179.03439	4.5
179.07164	4.0
191.05612	28.1
193.05049	100.0
194.05429	4.0
207.06657	2.4
216.72981	2.1
227.28137	2.0
255.03053	2.9
269.51193	2.0
271.82516	2.3
279.08765	6.3
281.19849	5.2
318.75287	2.0
322.34506	2.1
353.08850	3.5
371.22787	2.2
379.16000	2.6
415.12723	8.3
415.22104	13.0
416.15598	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03445	3.5
58.00605	1.4
59.01379	100.0
60.01728	1.0
61.98823	3.4
67.01882	0.8
68.99815	0.7
69.03461	2.2
71.01381	56.9
72.99310	5.1
73.02945	8.5
75.00877	1.3
79.95744	0.8
80.96513	1.6
81.03448	1.7
83.01388	5.1
85.02948	26.9
87.00877	9.8
89.02444	63.4
90.02795	0.8
93.03500	1.3
95.01403	3.0
97.02966	5.7
99.00886	3.1
99.04516	0.7
101.02443	42.8
102.05617	0.8
103.00343	0.8
104.03568	0.8
105.01968	0.9
108.23907	0.6
109.02934	0.8
111.00888	1.4
113.02448	20.8
115.04034	0.8
116.07197	3.3
117.01937	1.5
119.02642	1.0
119.03500	19.7
124.07639	0.6
125.02442	9.3
127.04001	0.7
129.01936	1.8
131.03508	4.1
131.04552	1.3
133.01482	0.7
135.04510	0.9
137.02467	1.4
139.04005	0.9
143.03520	6.7
145.06161	1.1
147.02988	1.8
149.04552	2.3
159.96498	0.7
161.04575	9.5
175.84204	0.7
179.05602	20.1
185.04579	1.5
191.02003	3.4
191.05582	1.7
193.05069	1.5
210.97702	0.6
217.00301	2.8
221.06625	4.3
235.08209	6.5
240.86909	0.6
253.09294	5.2
257.08032	0.8
263.07727	3.3
287.07632	1.0
293.16766	0.7
303.59564	0.6
305.08780	2.1
315.07327	0.7
317.05463	5.5
323.09720	1.4
341.10922	11.4
342.10983	1.1
397.13239	0.9
415.14536	81.7
416.14948	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37933	0.4
55.01875	7.0
57.03446	5.5
58.00581	0.9
59.01377	63.3
60.01711	0.5
61.98828	1.0
68.99828	0.4
69.03461	2.7
69.30110	1.6
71.01380	80.5
72.01733	1.1
72.99304	2.3
73.02944	39.9
74.03294	0.5
75.00878	1.8
75.45077	0.3
81.03458	1.8
83.01386	24.7
84.01714	0.6
84.02175	0.4
85.02949	45.1
86.00099	0.8
86.03260	0.5
87.00861	3.6
87.04547	0.7
89.02445	9.2
93.03426	0.3
95.01382	5.6
97.02952	3.8
99.00879	10.4
99.04498	0.5
101.02441	75.3
102.02780	1.8
103.04011	5.2
107.05036	0.9
109.02940	0.5
111.00884	0.8
113.02448	31.8
114.02798	0.9
115.04037	0.6
115.92095	0.4
119.03503	2.9
125.02451	6.6
127.04010	0.8
129.01926	2.0
130.08737	0.4
131.03442	0.6
135.04523	0.6
143.03503	6.2
145.05061	1.8
149.06181	0.4
159.02988	7.7
161.04555	52.5
162.04915	1.7
163.06110	2.5
173.04628	0.4
191.05690	0.6
194.54094	0.3
205.03618	0.7
229.07132	1.8
246.37376	0.4
247.08167	3.3
251.09148	0.5
269.10287	100.0
270.10663	7.1
307.10403	0.5
343.31461	0.3
415.16089	36.5
416.16394	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03435	1.2
58.00577	1.0
59.01377	97.3
60.01711	1.0
61.98825	3.5
62.30782	0.6
71.01378	65.1
72.01698	1.0
72.99309	2.7
73.02943	18.0
73.04073	1.4
81.03458	0.9
83.01388	2.6
85.02946	9.2
87.00845	1.7
88.04047	1.9
89.02442	100.0
90.02758	1.5
95.01364	1.7
96.00930	0.7
96.96060	0.8
97.02939	1.7
99.00256	1.3
99.00876	18.7
101.02440	38.9
102.02793	0.7
108.02161	0.6
109.02909	0.8
113.01704	1.0
113.02445	14.7
115.00359	2.2
119.03500	11.7
125.02427	4.2
126.78560	0.6
130.08702	1.6
131.03502	20.7
143.03467	2.2
149.04550	55.4
150.04819	1.6
161.04527	4.1
173.04460	1.1
179.05652	3.4
186.12257	1.2
191.05598	12.5
221.06512	1.4
224.17679	1.0
251.07658	3.3
281.19687	1.7
285.50113	0.7
299.20587	0.8
300.19055	2.0
323.15793	0.8
329.07925	1.9
353.19406	0.9
353.56628	0.7
397.06979	1.6
415.15585	8.9
415.21350	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03436	1.3
58.00572	1.1
59.01377	90.1
70.92632	1.3
71.01379	53.2
72.01718	1.1
72.99291	1.5
73.02940	25.7
75.50120	0.8
77.99219	0.9
82.95464	1.0
83.01378	1.4
85.02946	14.5
87.00876	2.2
89.02441	66.5
95.01379	6.8
99.00877	100.0
100.01208	2.2
101.02443	23.9
103.97034	1.0
113.02447	41.8
119.03495	12.7
122.70600	0.9
131.03506	15.3
143.03526	4.3
149.04550	57.9
150.04878	1.3
161.04543	24.3
179.05632	5.6
182.28664	0.9
191.05605	54.7
192.05977	1.8
192.61331	0.9
233.06676	10.5
292.66721	1.0
293.08798	2.3
339.57474	0.9
387.34683	1.0
415.16064	32.2
416.16455	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08682	1.8
74.99101	4.9
77.00666	78.7
78.00982	0.6
82.72430	0.3
91.89801	0.3
98.22623	0.7
114.35900	0.4
147.08154	1.9
149.09718	1.4
161.09694	0.8
163.11317	2.7
187.11235	2.4
265.12186	0.7
279.13779	0.9
279.23328	0.7
280.14670	1.2
307.17102	0.8
309.22366	2.0
321.18607	0.4
322.19357	0.9
337.21713	100.0
338.22058	10.3
377.26398	0.4
415.23099	19.0
416.23532	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03457	2.6
58.00600	1.0
59.01379	100.0
60.01736	0.8
71.01382	54.9
72.01713	0.5
72.99316	1.2
73.02943	6.1
83.01388	3.6
85.02946	13.6
86.64868	0.5
87.00907	2.0
89.02444	61.3
95.01392	3.7
97.02940	0.6
99.00893	1.1
101.02438	35.8
113.02448	23.4
114.02814	0.7
119.03503	29.1
125.02436	0.9
131.03532	2.3
143.03513	4.1
149.04561	2.4
152.65141	0.5
159.02895	0.8
161.04564	7.4
179.05589	6.8
299.21854	0.5
327.18268	0.7
415.23407	17.6
416.23892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03452	2.5
58.00590	1.4
59.01379	100.0
60.49718	0.5
61.98814	0.4
69.03457	0.7
71.01382	60.6
72.01726	0.7
72.80513	0.4
72.99290	1.5
73.02943	4.8
75.00881	0.5
81.03456	0.8
83.01389	3.1
84.02158	0.6
85.02946	13.9
87.00880	2.9
89.02444	66.7
90.02765	0.8
94.47809	0.4
95.01387	3.6
96.96043	0.5
98.21851	0.9
99.00880	2.7
101.02441	36.6
102.02811	0.7
113.02450	23.9
114.02732	0.9
119.03503	31.3
120.99611	2.0
122.01689	0.4
125.02438	0.9
131.03494	3.3
143.03494	4.4
149.04506	2.1
153.12317	0.4
159.02951	1.4
161.03401	0.7
161.04553	8.2
179.04359	0.6
179.05623	7.8
253.17851	0.6
254.02460	0.5
397.21948	0.5
415.23495	6.3
416.23404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.249
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
61.98828	2.3
65.73614	1.1
68.09557	1.0
69.71725	1.1
69.76089	4.2
71.30708	1.1
72.23039	1.0
73.31963	1.3
74.51662	1.2
76.11047	1.3
88.91249	1.0
89.23135	1.0
96.95985	2.0
98.59568	1.1
109.64751	1.2
139.08557	1.2
159.19656	1.1
215.45137	1.1
259.16983	7.2
271.13278	1.9
299.20255	4.1
335.23947	1.8
353.24835	23.5
354.25320	2.4
355.01587	1.3
379.22699	12.7
380.22977	1.5
397.23755	20.3
398.24228	1.6
415.24878	100.0
416.25241	13.1
436.02600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01382	19.2
61.98829	19.7
67.01893	2.9
69.03469	1.9
69.50504	5.1
71.01382	20.0
72.99298	3.3
74.02483	1.9
75.00874	9.3
81.03461	1.9
85.02946	19.3
87.00874	5.7
88.04049	3.2
89.02444	6.1
91.01891	5.8
93.03455	24.7
95.01391	3.8
96.96024	2.1
98.22596	3.0
99.00899	7.4
102.05590	1.7
108.02165	4.5
109.02974	3.4
111.00879	2.0
111.04522	5.0
113.02457	13.5
115.00330	1.2
123.04534	24.4
128.03543	5.2
129.01938	1.8
130.08749	1.5
134.03738	2.4
135.04524	57.9
136.04843	2.4
136.28885	1.3
137.02475	5.8
146.04614	1.8
151.00378	1.6
152.01105	1.9
153.01956	4.5
155.03505	4.8
161.02443	3.7
167.03497	43.7
173.04549	100.0
174.04846	3.7
175.02394	1.5
179.03494	63.7
180.03842	2.6
191.05612	47.4
192.05983	1.6
226.04800	3.2
227.05699	3.0
231.05327	1.4
241.07158	3.3
248.93088	1.2
249.06131	23.2
267.07187	9.8
353.08777	74.1
354.09204	8.3
399.09372	5.0
415.21899	4.1
416.22510	3.6
417.10327	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78289	7.0
59.01385	84.0
61.05545	6.9
61.98826	34.9
62.93739	6.6
68.34707	6.6
69.18841	38.9
71.01395	43.1
73.02950	15.5
84.95138	11.0
85.02975	10.3
85.59917	7.5
88.04061	7.5
89.02448	20.3
101.02452	19.4
102.05667	9.1
102.74164	7.8
113.02443	12.5
118.06677	7.2
122.06158	41.1
123.00906	9.3
130.08771	15.6
137.02448	9.1
145.07739	56.7
151.11359	10.0
152.07164	100.0
166.02673	37.2
175.08820	33.7
181.01462	17.8
181.05034	41.7
191.02071	7.4
195.10246	14.6
196.03764	15.9
211.06190	34.2
219.07770	11.8
316.16519	9.1
340.16592	26.5
354.19254	9.2
381.18546	7.9
384.15588	73.7
387.10562	14.5
416.18539	53.6
417.16171	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.0
61.98833	100.0
70.94650	7.5
103.92035	14.2
121.02939	12.7
122.89460	29.3
275.01459	16.1
293.08157	5.7
320.01251	7.5
332.78287	5.6
351.05078	10.1
355.33105	7.2
357.17001	11.4
366.07239	5.8
375.18274	9.2
380.12689	15.9
381.09763	28.7
416.10492	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09463	0.7
58.25776	0.7
61.98829	100.0
69.53252	2.7
137.91864	0.7
275.61542	0.8
353.19632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46048	0.7
61.98829	100.0
80.73167	0.7
82.95448	0.9
85.00435	8.8
85.10028	0.7
98.21804	1.4
106.34984	0.6
182.71901	0.6
197.11812	1.0
199.06772	0.7
224.17966	0.7
225.93726	0.9
233.11588	1.2
330.20731	2.2
416.24948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04234	3.4
55.64462	2.7
59.01383	65.3
61.98831	11.8
63.61712	3.2
69.31840	15.6
71.01378	17.1
73.02937	3.5
81.95263	2.8
85.02961	6.7
89.02463	9.9
96.99319	4.4
98.21849	6.7
99.00864	3.9
101.02449	9.8
113.02483	9.0
121.02980	10.0
123.04555	5.1
134.03773	16.0
145.02957	3.3
149.02470	13.4
155.97644	3.2
159.04501	5.9
161.02362	5.1
161.04643	4.8
161.06163	4.3
164.04790	5.8
173.06017	3.6
174.03181	5.5
176.04826	4.5
181.05142	3.9
189.05595	8.7
191.05556	4.1
193.05052	5.0
257.13632	3.2
296.06879	4.5
297.07684	6.3
310.04861	4.5
311.09229	12.6
312.10071	4.1
320.46960	3.5
325.07257	12.1
340.09494	7.2
355.11862	8.1
417.11917	100.0
417.25391	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31852	8.5
57.74820	8.5
59.01383	100.0
61.98822	20.5
69.14404	23.9
69.14827	33.0
71.01373	24.8
77.50413	8.0
85.02971	14.2
89.02452	18.6
101.02454	14.2
113.02490	11.4
187.10930	9.0
191.26225	8.2
279.13022	8.9
340.55707	8.9
417.21198	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66129	16.8
58.07569	16.5
69.44996	22.8
69.45340	83.2
97.56950	17.4
98.45988	18.0
106.55579	17.9
116.92870	100.0
118.90008	23.3
265.20502	24.2
289.19373	21.3
305.26682	19.0
335.17465	29.2
388.00739	19.6
417.08823	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
56.65602	0.5
57.03449	1.0
59.01381	12.6
59.66683	0.5
60.01724	0.8
61.98825	1.4
70.46995	0.9
70.47331	0.5
71.01378	8.4
72.01721	0.6
72.99283	0.6
73.02935	1.4
85.02969	3.3
86.03276	0.8
89.02449	6.8
90.02763	1.0
95.01382	1.0
99.00905	1.0
101.02451	5.5
102.02798	0.7
105.95332	0.5
107.01362	1.0
113.01733	0.6
113.02429	2.7
114.02805	1.2
119.03518	2.9
120.03904	0.6
131.03467	0.7
135.00974	0.6
142.82776	0.6
151.00375	1.9
161.04568	1.8
183.04552	0.9
185.06061	0.8
187.04007	0.8
211.04001	1.4
214.31961	0.5
227.03511	67.1
228.03874	4.5
229.05043	1.7
237.14951	0.8
244.88089	0.5
255.03003	88.5
256.03604	12.1
257.04428	1.4
260.38153	0.6
284.03290	83.5
285.03973	21.0
286.04416	1.6
327.05048	0.8
343.21295	1.0
393.83392	0.6
417.08295	100.0
418.08609	11.7
441.05273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
59.01379	40.8
61.98829	10.2
62.09141	1.5
62.84849	1.4
63.02388	1.5
64.56698	1.6
65.00341	1.9
68.99812	4.8
69.03433	3.0
69.56837	3.7
69.57227	2.5
71.01376	34.7
71.01736	3.1
72.99310	10.6
73.02945	4.3
75.00872	17.6
76.01204	1.7
81.03477	2.1
83.01395	2.9
85.02956	30.9
87.00881	12.1
89.02447	13.4
91.01905	11.9
92.97560	1.6
93.03454	5.1
95.01380	7.6
96.89375	1.5
98.22561	2.9
99.00902	13.7
101.02441	6.2
103.00346	3.1
108.02203	7.6
108.99063	1.8
109.02947	6.5
111.00880	4.4
111.04530	1.8
113.02444	28.9
115.00378	1.8
117.01953	4.2
123.00952	1.8
123.04528	59.2
125.02474	2.3
129.01941	2.6
133.05081	1.5
135.04512	6.4
136.04861	4.9
137.02425	2.1
147.87399	1.7
151.00381	1.8
151.56441	1.6
152.01161	4.8
153.01926	11.5
167.03493	94.8
167.10899	1.8
168.03850	4.0
173.04518	9.1
174.04878	4.9
175.02432	3.5
179.03525	5.7
180.03851	6.5
191.05647	4.3
192.05933	3.3
226.04831	4.8
227.05542	8.3
227.98695	1.7
231.05147	4.3
241.07207	9.6
249.06143	56.6
250.06380	2.7
267.07184	25.0
354.09146	8.9
355.09793	3.1
357.08063	3.0
385.07971	2.8
399.09543	8.1
417.10364	100.0
417.17117	4.6
418.10684	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
57.03431	1.4
59.01378	100.0
60.00000	0.9
60.66338	1.2
61.98830	7.0
62.28549	0.9
64.55117	0.9
70.66586	1.4
71.01379	44.7
73.02943	15.4
82.61785	1.0
85.02943	10.1
87.00916	0.9
89.02444	88.8
95.01396	4.5
99.00877	48.7
99.92585	1.7
100.93361	1.7
101.02445	19.6
113.02454	26.1
115.92064	1.6
116.92802	1.8
119.03509	12.0
131.03513	11.4
137.02434	3.8
143.03441	5.0
149.04550	65.9
150.04874	1.5
161.04556	12.1
177.09157	1.2
179.05606	12.8
191.05621	19.3
228.98155	1.9
233.06648	19.9
234.07025	1.3
258.06152	1.0
293.08780	10.7
311.09875	4.0
417.13971	3.2
417.18347	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47020	0.9
57.33419	0.9
59.01377	100.0
60.01701	1.8
61.98829	5.4
69.60965	0.8
69.66239	3.5
71.01386	13.2
72.99313	2.3
73.02938	3.4
75.00884	1.4
80.96503	1.1
83.01403	1.7
85.02945	3.8
87.00877	1.2
89.02444	9.3
95.01405	0.9
96.95991	0.9
98.04453	1.0
99.00881	3.2
101.02438	5.8
105.01938	1.4
108.02167	3.0
113.02437	4.3
115.03980	1.1
119.03474	1.8
121.02950	2.0
123.04520	2.6
125.02441	4.9
131.03516	1.9
135.03008	1.3
137.02449	1.9
139.07716	1.4
145.31577	0.9
147.02895	1.3
149.04547	1.8
161.04559	5.2
165.01924	23.6
166.02361	1.1
168.58694	0.9
180.04276	38.2
181.04767	2.1
191.05530	1.5
195.06610	76.0
196.06921	3.5
233.06735	3.4
260.18564	0.9
293.08771	2.3
379.16190	6.9
417.17010	1.5
417.21783	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56521	0.8
53.13676	0.8
57.03440	1.1
59.01379	100.0
61.98829	4.8
69.03454	0.8
71.01382	37.2
72.01679	0.9
73.02950	8.9
82.75510	0.8
83.01397	0.8
85.02961	7.3
87.00862	1.3
89.02444	63.4
93.03477	2.0
95.01386	2.8
99.00877	22.6
99.92591	2.2
100.93369	1.8
101.02434	14.8
113.02448	21.3
115.92088	3.9
116.92849	2.2
119.03512	11.7
125.02470	1.0
131.03511	8.0
137.02434	3.0
143.03517	4.3
149.04553	36.4
150.04858	1.1
151.07761	0.9
161.04556	7.0
177.09282	0.9
179.03447	1.2
179.03944	1.5
179.05621	17.3
179.07143	2.1
183.96912	0.8
191.05637	12.9
228.98077	1.6
233.06659	10.1
254.44156	1.0
293.08734	6.4
311.09937	1.8
332.45670	0.9
357.13251	1.0
417.13110	4.2
417.18372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02624	1.4
57.03437	2.3
58.58352	1.6
59.01378	100.0
61.98817	5.8
64.32375	1.6
64.73547	1.7
67.85468	1.4
69.19808	8.9
71.01381	17.4
71.04962	1.3
73.02936	6.1
85.02943	3.5
89.02426	8.5
90.39363	1.4
93.03472	1.7
97.69315	1.7
98.21857	2.4
101.02454	10.1
102.30051	1.5
113.02441	5.3
119.03485	5.5
135.08150	1.6
138.26974	1.4
157.08694	2.4
171.10262	3.2
179.05492	1.8
201.11324	3.8
229.14359	3.7
237.14865	3.5
243.98949	1.4
249.99467	1.5
260.90878	1.5
277.12125	1.9
329.25882	1.5
331.17468	2.2
343.21304	3.6
355.25003	1.5
417.16504	2.5
417.20663	15.7
417.25366	6.4
418.21533	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19042	0.8
59.01377	100.0
60.01708	0.9
61.98823	3.2
79.92561	0.8
91.77739	0.9
93.03483	1.3
103.01495	95.6
104.01797	1.3
125.87349	5.4
126.88122	5.2
157.86342	1.4
165.12814	1.3
198.92693	1.0
207.59474	1.0
212.38176	0.9
287.56567	1.0
291.19730	6.9
313.17740	1.3
381.08954	1.0
417.06866	11.8
417.19656	7.0
418.07159	2.1
418.19223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11105	9.1
51.25753	8.0
59.01373	14.8
61.98830	51.3
69.28172	31.4
69.28581	18.5
85.00437	100.0
85.44839	10.2
89.84618	9.4
98.22614	21.4
241.91013	9.9
331.15942	10.8
362.43109	11.4
417.22742	85.5
418.22983	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	1.3
62.66639	0.7
63.54885	0.7
70.60547	0.8
71.01379	2.3
76.92646	0.8
83.20638	0.8
89.02435	1.1
101.02429	2.1
105.00109	0.7
118.78223	0.9
164.22568	0.8
202.58479	0.9
233.26485	0.8
363.74524	0.8
417.24924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2284
Annotation	CHEBI:69183
Peak:m/z	Relative Intensity
59.01376	1.1
61.98822	4.2
67.73698	0.9
69.76663	1.5
71.01376	1.0
71.34025	0.7
81.03437	1.0
83.05029	1.4
85.00434	4.6
93.03471	1.0
95.05030	1.3
97.02979	0.8
97.06590	1.2
98.03764	1.3
98.22705	0.7
105.89537	0.8
108.02182	100.0
109.02424	1.7
109.03053	1.3
109.06596	1.1
111.04504	1.0
111.08131	3.0
113.09741	0.9
115.07657	1.2
121.02958	12.8
122.03780	4.7
123.04530	6.6
123.08162	2.0
125.06101	0.8
125.09789	0.9
125.87321	6.8
130.04256	8.4
131.05112	1.1
134.03752	8.9
135.04529	6.7
135.08162	1.1
136.05292	2.7
137.06071	2.9
137.09709	1.3
139.07657	3.6
141.09209	11.3
143.05070	1.9
143.07141	5.0
144.23811	0.9
145.02933	1.0
146.03769	0.9
147.04530	3.7
148.05267	3.1
149.06075	7.9
151.07642	3.1
157.86328	1.1
158.03720	2.0
159.04474	1.9
160.05298	3.5
160.20563	0.9
161.06052	2.2
162.06807	4.2
163.07661	1.6
171.04489	0.9
172.05287	1.6
174.06818	1.5
185.06113	1.3
187.04073	1.4
191.10728	1.1
197.89339	0.9
201.05667	0.9
201.12897	1.0
203.14375	2.5
217.12361	3.4
218.13028	1.7
219.13904	7.4
220.14574	2.2
221.15417	4.6
227.14395	4.2
229.12267	1.5
229.15958	1.0
231.13829	4.9
245.11864	5.1
245.15489	2.6
247.13390	38.0
248.13762	2.4
253.12253	1.5
255.13884	12.0
256.11026	1.9
257.11865	1.1
257.15616	1.0
263.12891	14.2
264.13495	1.3
265.14435	34.9
266.14764	3.3
267.13895	1.2
271.13275	4.6
273.12238	1.7
273.14969	18.2
274.15350	1.0
275.12903	4.9
275.16464	1.0
277.14478	1.5
283.13562	1.0
285.14929	4.0
287.12988	1.8
289.14465	14.6
291.16122	9.9
291.19290	1.6
301.14398	2.2
303.16068	4.3
309.20731	2.8
321.16937	1.0
348.15732	1.6
351.08688	2.4
355.22479	1.1
363.19550	4.6
375.21573	1.1
381.20691	15.6
382.20975	2.0
399.21762	86.7
400.22025	8.9
417.22830	98.1
418.23221	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23569	0.3
55.01881	5.2
57.03443	4.8
58.00591	1.2
59.01377	98.1
60.01725	0.8
61.98827	0.8
69.03457	1.1
69.80602	0.9
71.01379	100.0
72.01715	1.4
72.99310	1.8
73.02943	25.1
75.00879	1.1
81.03468	0.5
83.01383	11.7
84.01688	0.3
84.02170	0.7
85.02947	37.2
86.03304	0.8
87.00866	5.5
87.04515	2.5
89.02441	51.2
90.02798	1.0
95.01382	7.6
96.96011	0.6
97.02957	2.1
99.00878	8.8
101.02439	74.6
102.02798	1.4
103.04071	0.3
111.00889	0.8
113.02445	39.8
114.02763	1.1
119.03498	22.7
120.03893	0.4
125.02421	1.8
129.01924	1.2
131.03499	2.6
143.03497	6.9
149.04535	2.0
159.02980	8.4
159.04237	0.6
161.04555	43.8
162.04916	1.1
179.05612	9.7
180.05943	0.5
182.60948	0.3
192.58478	0.3
205.03558	0.5
255.19643	3.3
417.24930	35.8
418.25372	3.9
427.17709	0.3
428.27045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03451	4.4
58.00602	2.0
59.01378	48.1
61.70857	0.7
61.98824	3.0
63.43801	0.8
69.03452	0.7
71.01381	49.8
71.27390	0.7
72.01718	0.8
72.99286	1.1
73.02942	14.7
75.00884	0.9
79.95718	1.1
83.01389	4.8
83.05025	0.9
84.02172	0.7
84.05283	0.7
85.02950	20.8
87.00880	1.9
87.04536	1.3
89.02442	17.4
93.62780	0.6
95.01395	4.6
95.95235	0.7
96.43858	0.7
96.96005	5.8
97.02956	1.4
97.06622	1.0
99.00883	5.6
101.02447	29.1
111.00897	0.7
111.04518	1.1
112.67139	0.7
113.02446	20.6
116.33272	0.6
119.03495	8.9
123.08195	2.0
124.25862	0.8
125.02488	1.4
125.09717	3.4
127.11306	4.0
129.01945	1.4
135.08157	1.2
137.09731	2.4
139.11333	0.9
141.09221	18.3
142.09503	0.8
143.03490	1.8
149.04602	0.9
149.68695	0.7
150.03215	0.8
150.05637	1.2
153.09242	2.6
155.10812	1.6
159.02980	4.0
161.04550	23.3
163.03996	0.7
165.09233	1.0
171.10258	7.1
179.05617	1.7
183.10313	1.2
190.05212	1.0
193.01495	1.1
199.09879	1.0
201.11327	22.6
201.13181	1.4
202.11662	1.1
208.03690	0.9
209.04532	0.8
211.13423	0.8
237.15038	2.6
245.19209	1.8
254.18111	0.8
255.15913	0.8
255.19730	1.1
255.58012	0.7
263.20099	7.8
271.17056	1.4
281.21194	1.7
285.98608	0.7
289.18094	3.7
301.10733	0.8
307.19113	6.4
323.10233	0.9
325.20227	12.9
326.20480	0.9
343.21240	43.2
344.21548	4.3
355.12912	4.5
381.22888	7.2
382.23178	1.1
385.14053	5.2
399.23853	6.8
400.24258	0.9
417.20172	15.4
417.25092	100.0
418.20642	1.3
418.25500	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.9
56.25912	0.3
57.03447	6.3
58.00593	0.9
59.01377	60.5
60.01709	0.5
67.25090	0.3
68.71461	0.2
68.99810	0.5
69.03452	0.5
70.76859	0.3
71.01379	100.0
72.01707	1.4
72.99306	1.4
73.02943	28.2
74.03310	0.4
75.00863	2.0
79.91197	0.3
81.03441	0.6
83.01383	10.5
84.02166	0.6
84.97974	0.3
85.02950	42.9
86.03296	1.0
87.00875	3.7
87.04504	2.8
89.02443	30.1
90.02761	0.6
95.01385	7.5
97.02937	2.7
99.00370	0.2
99.00880	11.3
101.02442	59.8
102.02768	0.9
111.00895	1.3
113.02450	43.1
114.02792	1.0
119.03504	13.7
125.02463	2.0
129.01961	2.3
131.03497	1.9
142.36388	0.3
143.03500	6.1
149.04547	1.0
159.02994	9.7
160.03288	0.4
161.04556	52.5
162.04924	1.6
179.05602	3.5
205.03545	0.5
255.19669	2.8
274.70535	0.3
297.20645	0.7
305.16046	0.4
347.20618	0.4
417.24957	37.7
418.25308	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
56.50658	0.8
57.03444	4.2
58.00598	1.7
59.01382	42.6
61.98835	3.2
65.18871	0.7
69.03470	1.0
69.06985	2.3
69.07398	3.3
69.97324	0.7
71.01386	46.4
71.05028	0.7
72.01702	1.0
72.99323	1.9
73.02953	11.6
75.00905	1.1
81.03458	0.9
83.01394	4.4
83.05023	0.9
85.02949	17.6
87.00903	1.6
87.04493	0.8
89.02448	16.8
93.18311	0.8
95.01416	2.6
96.95985	0.8
97.02975	1.3
97.06587	1.3
98.21833	1.2
99.00903	4.9
99.01444	0.8
99.04498	0.8
101.02454	26.5
111.00919	0.8
113.02454	19.0
119.03498	5.6
121.06654	0.8
122.06122	1.4
123.08192	1.6
125.02503	1.6
125.09756	4.8
127.11311	3.8
131.03503	1.1
135.08211	2.4
137.09756	1.9
139.11328	1.3
141.09233	21.6
141.35292	0.8
143.03577	1.9
150.05656	3.0
153.09207	4.1
155.10825	2.0
159.03008	3.9
161.04578	20.7
161.05838	1.4
165.05598	0.8
165.09169	1.1
171.10326	6.8
179.05684	1.9
190.05107	1.9
199.09789	1.4
201.11348	18.2
201.13080	0.9
202.11746	1.1
209.89012	0.9
231.05197	2.2
235.09032	1.1
237.15092	2.4
245.19176	2.3
249.06770	1.3
255.16150	0.9
255.19794	1.4
263.08344	2.3
263.20151	7.8
264.09152	1.5
271.17203	0.9
281.21210	1.9
289.18173	3.7
295.10968	1.1
307.07370	1.9
307.19156	6.2
313.44064	0.9
323.10321	3.8
325.20224	16.4
339.09918	2.0
343.21268	43.8
344.21417	4.2
355.13080	11.6
355.25055	1.2
356.13705	0.7
381.22824	8.7
385.14114	9.8
385.18600	0.8
399.24039	7.1
400.24103	0.9
417.13159	2.7
417.25201	100.0
418.25595	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65481	0.8
59.01377	5.6
61.27427	0.8
62.79514	0.9
67.58160	0.9
70.25254	1.3
70.25589	2.0
78.09886	0.9
83.05015	1.1
103.01488	2.9
147.08061	0.9
158.70206	1.0
179.14294	1.0
201.35779	1.0
211.13361	4.0
213.14900	1.5
239.16455	1.6
247.48299	1.1
253.17949	1.4
327.26898	2.8
337.00366	0.9
337.25323	2.8
345.21072	1.0
345.28204	1.5
355.26453	9.0
356.27029	0.9
363.22952	1.2
371.25677	1.3
373.27509	3.6
381.24277	3.7
389.26944	1.0
399.25302	13.4
400.25806	1.9
417.26419	100.0
418.26761	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63292	0.4
57.03436	0.9
59.01361	1.9
68.06754	0.5
69.03438	1.4
71.01375	0.5
71.04990	0.5
75.52847	0.4
76.47984	0.4
81.03468	0.7
83.05015	1.6
93.03461	0.5
95.05035	0.6
96.95983	0.5
97.06597	0.9
109.06567	1.0
111.08170	0.8
120.89676	0.6
121.10234	0.6
123.08174	0.6
133.06622	0.6
135.08235	0.7
142.28687	0.4
147.08171	0.4
169.12321	1.0
171.10202	0.6
181.12411	0.5
183.13824	0.7
193.12378	0.5
195.13881	1.1
209.15395	0.5
211.13411	4.4
212.13858	0.5
213.14955	2.0
219.89697	0.6
225.15007	0.6
239.16550	1.5
247.13435	2.6
251.16588	0.5
253.18076	1.7
265.18066	0.6
309.22037	0.5
327.27127	2.3
337.25275	2.6
345.27802	1.7
353.24741	1.6
355.26480	8.3
356.27118	0.6
363.23260	0.9
371.25806	1.7
373.27426	2.9
381.24167	3.7
389.27005	1.5
391.26068	0.4
399.25388	14.3
400.25699	1.6
415.56329	0.5
417.26440	100.0
418.26776	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23006	5.2
72.99298	4.5
73.52561	2.4
78.97268	2.0
80.98683	2.4
90.96013	2.2
97.06581	3.9
98.22664	3.2
120.61688	2.2
125.06076	55.2
126.06371	2.5
138.36301	2.6
143.01363	2.3
143.07140	74.3
144.07466	3.1
165.12848	20.2
175.22021	2.5
247.20679	8.8
265.66312	2.2
273.18512	4.5
291.19666	100.0
292.19977	5.8
417.26352	6.4
430.01440	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85965	0.8
59.01380	39.2
61.98832	100.0
68.39809	0.9
71.01376	6.1
73.02965	2.2
85.02953	2.4
89.02442	1.7
90.30865	0.9
99.00864	1.6
101.02449	4.1
106.94833	0.8
113.02480	2.2
161.04576	3.3
161.10008	0.8
165.61877	0.9
198.74390	0.9
254.33420	1.0
269.10306	3.2
295.82947	1.0
306.27182	0.9
311.11200	1.4
419.19226	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01167	0.5
59.01383	6.0
60.71158	0.5
61.98831	7.0
69.71165	0.5
71.01375	0.9
73.02942	0.6
85.02970	0.7
87.00854	1.4
89.02440	1.4
96.96006	1.1
101.02436	1.1
122.81062	0.5
144.08134	0.7
151.05110	0.7
184.08800	1.5
212.08305	10.9
240.06529	3.9
240.23869	0.5
241.07211	1.1
255.08887	100.0
256.09225	6.3
317.66953	0.8
368.63721	0.6
375.13028	2.3
419.19202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66581	9.9
59.01375	100.0
61.98833	59.9
63.85147	9.7
71.01363	44.9
71.44382	10.9
77.08577	10.3
80.86765	8.5
85.02959	22.2
89.02441	47.4
101.02448	22.7
113.02421	27.9
119.03496	16.5
121.02938	15.7
165.05620	14.5
179.03532	12.8
180.10808	11.0
197.11815	14.0
243.79898	9.5
348.92044	9.3
375.18002	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64596	7.2
61.98808	13.1
63.72944	6.1
70.46775	10.2
82.77353	6.9
92.00537	7.8
102.78902	7.2
127.51693	7.4
135.51012	6.9
159.08398	12.2
190.39604	7.7
291.09097	100.0
292.09122	10.4
333.20715	10.1
359.15305	99.0
360.15317	14.4
375.18488	32.9
388.90674	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72273	0.4
59.01384	4.7
59.05487	0.4
61.98833	8.0
71.01373	1.7
79.95728	1.2
83.04987	0.4
85.02929	0.8
89.02442	2.5
101.02419	0.5
105.01940	0.9
113.02460	0.8
121.59148	0.5
135.04539	0.5
147.02995	0.7
196.69109	0.5
197.51140	0.4
215.08316	0.6
226.78050	0.5
237.05586	4.5
251.06966	0.5
265.04962	0.7
279.06650	1.5
281.04550	55.3
282.04840	3.4
309.04053	48.1
310.04437	3.7
324.06387	100.0
325.06735	8.5
339.08716	95.8
340.09094	7.7
419.04431	31.9
419.10342	1.0
419.22867	0.9
420.04633	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62045	0.5
50.73117	0.5
55.30855	0.5
59.01377	100.0
60.01716	1.0
61.98830	4.2
66.27888	0.6
70.45124	1.1
70.45459	0.8
71.01376	2.7
71.59331	0.6
73.02988	0.7
80.88612	0.5
85.02966	1.2
87.00861	0.6
89.02459	1.7
93.91209	0.5
101.02479	2.3
113.02475	1.2
119.03539	1.0
137.02448	1.0
149.02428	1.2
161.04546	1.9
162.13869	0.7
163.04114	0.7
164.04794	1.5
167.03525	1.4
179.07225	1.7
182.05861	3.8
197.08180	11.0
213.53944	0.6
249.99539	0.7
260.63892	0.7
289.04022	0.7
349.84790	0.8
365.48923	0.5
400.33908	0.5
401.39917	0.6
419.15213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39601	0.7
58.45876	0.6
59.01376	9.4
60.10412	0.6
61.98825	7.1
69.13439	3.5
71.01392	1.7
73.02957	2.0
75.00835	0.7
82.95422	1.9
85.02937	1.2
85.06589	0.8
87.00867	1.4
89.02437	0.9
89.88252	0.7
96.96020	2.2
97.06609	0.9
109.02954	1.6
109.06561	0.7
110.78245	0.7
115.07647	1.5
123.00860	0.8
124.01644	4.2
125.02478	1.0
125.06059	0.9
125.09713	1.4
127.07602	0.6
127.11289	1.0
130.08751	1.3
137.02440	2.7
138.03268	1.9
139.04024	6.3
145.08681	1.1
153.01891	0.7
153.05614	1.4
155.10765	1.1
165.09094	0.6
169.12366	0.9
171.10254	11.7
172.34418	0.7
173.02458	1.2
174.03233	2.5
175.04019	2.8
177.05571	1.7
181.12314	1.2
187.04082	1.1
188.04828	1.3
189.05571	1.4
191.05577	1.2
193.05043	0.9
199.13402	4.4
201.11310	7.2
205.05048	1.2
206.05786	3.4
207.06676	1.6
211.13419	2.7
219.06619	1.2
221.08203	3.8
239.12865	1.1
250.08388	1.0
253.04991	0.8
255.06688	1.1
280.03885	1.8
281.04596	4.3
283.06262	1.6
284.06668	0.8
285.04187	0.9
285.07632	2.0
286.04901	0.8
294.05276	1.0
297.04233	0.8
298.04791	3.6
299.05569	2.1
300.06525	1.9
301.07269	4.8
311.05527	3.5
312.06393	4.4
313.07117	15.7
314.07785	2.1
315.08737	1.3
325.07288	1.3
326.07959	3.5
327.08771	12.7
327.21750	1.1
328.05768	1.8
328.09311	1.9
329.06680	11.1
329.10300	3.8
330.10629	0.7
339.09088	0.8
341.10345	1.6
343.08191	10.3
343.11978	1.8
344.08951	16.3
344.12845	1.4
345.09317	1.2
345.22815	21.0
346.22986	1.0
356.09933	0.7
356.20886	1.2
358.10553	36.3
359.11322	65.9
360.11609	5.5
367.77890	0.7
373.12897	59.1
374.13220	6.5
383.24481	3.1
389.12463	14.2
390.12793	1.6
393.66919	0.7
394.50003	0.8
404.14737	59.0
405.15012	5.7
419.17172	100.0
419.26178	36.5
420.17474	10.8
420.26541	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47308	0.7
53.76983	0.7
59.01379	98.6
60.01724	0.8
61.98853	0.8
63.15256	0.7
65.47720	0.7
69.25571	3.3
85.00475	1.0
87.00881	0.8
95.05022	1.9
103.01495	100.0
118.58792	0.7
122.89426	1.0
125.87325	6.8
126.87360	1.0
126.88129	7.6
126.93014	1.5
127.87042	9.0
128.87814	13.1
157.86310	1.0
159.86075	1.1
198.88316	1.3
267.02405	0.8
268.02518	0.9
270.04391	1.0
271.03723	1.0
278.11176	2.0
293.21143	2.8
311.25693	0.8
313.03049	7.2
314.03363	7.0
315.02731	6.8
349.00647	5.8
350.00958	15.5
351.00363	31.7
376.69958	0.8
381.07767	0.7
383.10757	1.4
419.07938	3.0
419.21390	0.9
420.07275	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89417	16.0
59.01367	16.8
61.98829	26.3
69.41335	26.9
69.41727	32.9
74.94846	13.6
87.00897	19.5
118.78162	13.2
125.09626	18.0
159.93689	13.5
192.04234	24.4
263.03571	13.9
400.92044	38.1
401.23178	100.0
419.24100	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22019	19.7
59.01385	26.9
61.98845	53.9
88.28635	21.4
119.05065	22.7
161.60065	22.2
192.04274	35.8
331.26331	22.2
340.97345	22.6
401.23264	100.0
419.24127	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2438
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.80868	1.3
59.01375	3.9
61.14664	1.4
61.98830	3.7
70.07894	1.4
70.67199	2.6
84.27671	1.6
85.00430	14.7
85.50878	1.6
87.00875	1.9
97.06594	3.2
125.09715	7.6
163.63995	1.4
171.10280	9.5
175.07527	1.4
231.17471	1.6
247.13370	9.6
249.14914	3.1
256.87085	1.4
273.14999	4.3
275.12939	5.8
282.84619	1.5
311.23929	1.6
313.25128	1.4
321.22369	3.4
337.21664	2.5
339.23282	8.3
347.20178	1.8
355.22687	4.8
365.21243	2.0
374.24585	1.9
383.22266	18.7
401.23276	51.9
402.23734	3.1
419.24399	100.0
420.24542	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2439
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.78854	1.6
54.46994	1.8
55.85342	1.7
59.01387	3.4
61.98817	10.2
63.26432	1.9
85.00419	7.5
87.00861	6.4
108.02171	67.2
109.02441	2.3
113.09739	2.3
121.02956	7.6
123.04487	4.7
123.08141	2.0
125.09689	2.7
130.04214	3.6
134.03726	3.9
136.05244	3.4
141.09245	2.5
149.06075	3.1
151.07611	2.5
162.06876	3.2
193.12349	13.3
199.09715	3.2
201.12842	5.4
215.12866	2.2
217.12294	4.5
219.13945	9.3
221.15593	2.7
247.13380	44.2
248.13655	3.1
255.13966	5.7
265.14420	33.4
267.13727	3.0
273.14975	16.4
285.05774	8.0
285.15021	4.9
289.14447	3.6
291.16083	12.6
311.22009	2.5
361.74905	2.1
383.22250	8.3
401.23315	42.8
402.23483	4.7
419.24371	100.0
420.24597	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98830	8.1
70.94472	1.1
71.01373	2.0
71.88902	0.7
72.99306	1.9
78.91886	10.2
78.95898	0.8
79.85513	0.6
81.79034	0.7
85.02943	9.7
87.00864	5.3
89.83799	0.6
93.03455	3.2
94.16373	0.7
98.99796	0.7
99.00962	0.7
108.90196	21.9
111.00844	1.5
111.04486	1.2
115.92014	0.7
127.04014	2.3
129.01913	1.3
131.04591	0.9
135.92065	0.8
152.95935	1.3
173.04501	1.0
176.79681	0.8
182.04611	0.8
191.02118	3.7
191.05603	100.0
192.05959	3.2
205.34332	0.8
240.97633	1.1
251.11241	0.7
329.02524	0.9
359.03369	1.0
421.07547	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57545	0.2
59.01376	0.8
61.98814	0.8
69.09693	0.9
69.10094	0.4
71.01367	0.5
79.95744	0.8
80.96516	0.4
83.87321	0.3
85.02943	0.5
87.00851	0.3
96.96013	1.9
101.02459	0.6
111.04530	3.0
124.01640	1.8
129.01933	0.6
139.03987	1.5
145.01419	0.3
148.05267	0.6
148.24771	0.2
150.97043	0.3
152.01151	13.3
153.01500	0.4
165.01913	1.0
166.06332	0.4
176.04755	0.7
178.02757	0.3
191.07150	2.5
193.04968	0.3
194.05838	17.2
195.06178	1.0
209.08183	100.0
210.08531	5.9
210.99178	7.6
211.99472	0.3
386.99292	0.2
421.08087	3.5
421.24274	1.3
422.08438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14616	0.3
64.44770	0.3
69.71568	1.1
71.01378	0.4
79.95744	0.9
85.61714	0.3
96.95993	1.6
100.76669	0.3
109.96410	0.3
111.04504	2.5
124.01666	2.0
139.04002	0.9
148.05319	0.5
152.01157	12.9
165.01842	0.7
165.81810	0.3
166.02708	0.4
166.96664	0.4
167.11868	0.3
176.04741	0.8
179.03433	0.3
191.07104	2.2
193.04930	0.5
194.05835	15.9
195.06212	0.4
197.33713	0.3
209.08177	100.0
210.08510	5.0
210.99179	8.6
261.33234	0.3
278.17767	0.3
421.08090	3.7
422.08264	0.4
436.05521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70240	2.6
57.22962	2.1
59.01377	39.4
61.98250	1.9
61.98826	44.2
71.01379	16.8
71.41955	2.4
73.02942	3.8
75.00880	4.5
75.56355	2.5
85.02963	5.7
87.00838	2.1
89.02434	12.3
96.96017	12.8
96.96969	3.6
99.92563	2.4
101.02448	9.5
113.02428	5.6
115.92081	3.5
116.92864	10.6
119.03523	3.2
120.88113	2.0
121.02918	2.8
123.04488	2.7
130.08711	2.3
135.04558	3.7
149.02432	24.8
163.04004	3.4
164.04802	25.9
165.01822	2.2
165.05482	2.4
167.07114	2.6
179.07159	10.4
193.01456	10.9
194.02075	2.1
208.03735	26.7
223.06091	100.0
224.06396	4.8
241.10831	5.8
262.15970	2.2
301.14102	2.4
361.14877	4.2
385.11450	7.8
421.11923	3.1
421.16644	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83472	3.9
57.61976	4.4
59.01369	8.5
61.98836	30.3
67.53593	4.7
69.84948	7.8
72.30228	5.1
81.85805	4.3
98.22623	6.6
126.80456	4.2
135.01199	4.1
136.06685	4.4
163.11330	7.2
189.88960	4.1
192.04286	19.6
347.25900	100.0
348.26202	9.2
349.16083	6.9
395.59540	4.6
403.17386	5.1
403.24991	8.7
414.46841	4.9
421.15286	20.7
421.25882	8.9
422.15637	4.5
422.30576	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.5
59.01073	4.8
59.01375	100.0
61.98822	3.9
69.14910	11.9
71.01379	27.3
73.02947	8.9
74.26689	2.5
85.02956	7.8
87.00876	5.0
89.02428	20.1
96.96004	17.2
99.00885	17.4
99.04537	6.6
101.02438	14.8
113.02449	10.0
118.40202	2.7
119.03522	5.9
131.03528	2.6
149.04564	6.9
161.04530	7.9
179.05609	6.3
185.11871	3.1
191.05582	7.1
211.13301	4.8
215.12860	12.5
223.13448	4.7
227.12915	6.3
233.11835	10.1
239.12811	3.0
241.08875	2.6
241.14380	3.1
251.12920	12.5
263.13065	4.4
267.63486	2.7
269.13962	9.3
300.57803	2.5
305.15942	2.8
361.18750	2.6
379.15875	2.6
403.15912	3.6
421.16235	37.6
421.21024	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38122	9.8
56.64648	10.8
59.01385	100.0
61.98836	85.6
71.01389	62.2
71.44506	13.7
73.02946	19.3
85.02972	19.0
87.00880	28.7
88.98788	12.4
89.02444	93.2
96.96015	23.1
99.00931	12.9
101.02432	39.4
111.00945	14.6
113.02451	21.8
159.03084	11.5
161.04524	10.2
163.22101	11.9
177.03372	10.5
195.83781	11.2
211.13324	17.6
215.12787	42.2
223.13428	12.3
227.12994	16.3
233.11795	40.7
251.12846	49.9
252.68538	13.8
263.12848	17.7
269.13965	23.5
274.73480	11.2
329.85022	12.4
347.24393	15.8
403.15945	28.1
421.16165	98.9
421.21011	22.6
421.27710	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35094	6.8
58.02949	10.2
59.01379	49.8
61.98829	9.5
67.07862	7.2
69.42226	38.1
71.01376	22.6
73.02922	13.1
74.02460	21.2
85.02968	8.7
96.43488	8.6
96.95973	18.1
99.05620	21.9
101.02438	22.7
104.43871	8.2
105.39021	8.2
108.02153	24.8
109.02927	26.0
117.02571	8.7
143.04596	44.4
144.57117	9.2
147.06606	10.4
149.02411	18.9
150.03178	14.1
151.03893	12.8
153.01929	9.4
160.15587	8.0
161.04544	6.9
165.05536	16.0
167.03458	17.1
177.03383	100.0
224.34554	8.6
243.12323	8.3
262.12314	7.5
269.69650	8.0
311.07690	20.6
347.24826	9.2
373.12772	8.2
374.04883	9.0
403.15585	8.7
421.11221	32.3
421.16272	44.4
421.21045	17.4
421.28079	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01381	66.6
61.98822	2.6
63.68355	2.1
69.24273	12.0
71.01377	16.1
73.02956	4.0
81.00975	1.9
85.02947	6.9
89.02430	7.1
93.23796	2.0
97.02900	2.3
99.00893	3.6
99.04547	4.6
99.92597	4.6
100.93347	6.5
101.02435	10.6
102.73871	2.3
113.02431	8.0
115.92077	5.9
116.92852	45.8
143.07129	12.5
161.04559	7.8
175.73819	2.0
199.13379	3.0
215.12877	2.2
255.08882	6.5
317.03378	3.5
317.11414	5.7
334.31635	2.8
352.84622	1.9
361.18637	7.5
366.85168	2.3
377.18213	14.4
421.04333	3.2
421.16309	100.0
421.20331	6.4
422.16376	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41488	0.9
57.03433	2.1
58.99228	0.9
59.01377	100.0
61.98814	2.1
69.72482	2.5
71.01378	25.2
72.99297	1.2
73.02945	3.1
81.03446	1.1
81.07096	1.1
83.01371	2.3
85.02948	4.9
87.00870	0.9
89.02439	21.7
99.00891	1.1
99.04482	3.2
99.92563	1.9
100.93355	3.0
101.02442	16.7
113.02444	9.9
115.92079	3.2
116.92856	29.0
117.92865	1.6
119.03506	10.3
143.03484	2.8
143.07112	6.4
161.04562	6.2
179.05626	5.9
199.13356	4.0
212.08249	2.0
215.12914	1.5
225.11273	1.2
255.08871	19.8
256.09094	1.4
310.09891	0.9
361.18671	10.2
375.13245	1.8
377.05331	1.6
377.18115	12.2
421.04477	2.8
421.20966	12.1
422.05338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01377	100.0
60.01709	1.1
61.98828	4.2
70.38334	1.7
71.01380	24.9
73.02938	4.1
74.02477	1.1
75.00868	2.1
82.95414	5.1
83.01376	2.0
84.85812	0.9
84.93864	1.1
85.02947	5.3
87.70592	0.9
89.02436	14.8
95.01368	1.7
96.95998	2.6
98.22454	1.0
99.00871	2.6
99.92582	8.3
100.93358	8.7
101.02437	13.5
109.02944	1.3
113.02442	7.9
115.03932	0.9
115.92069	13.2
116.92859	89.6
117.92859	4.6
119.03493	5.8
119.05055	0.8
121.03005	0.7
128.03508	0.8
131.03481	0.9
134.03705	1.2
135.04509	0.9
141.93634	0.8
142.94397	1.0
143.03520	1.9
149.02417	2.2
152.21104	0.8
154.06227	0.9
161.04530	7.8
164.04817	2.2
165.33087	0.8
173.04559	1.0
175.04083	1.0
179.05577	3.4
179.06956	0.8
184.91814	1.8
193.01437	0.9
199.09714	1.3
199.13368	3.3
205.04761	0.9
208.03726	2.9
215.12791	2.1
223.06096	8.0
241.10762	1.0
241.14505	0.9
299.02423	1.7
306.07605	1.9
317.03195	3.1
335.04208	3.3
359.04294	2.0
361.14844	0.9
361.18726	6.0
377.05591	4.4
377.18167	22.0
378.18445	2.0
385.11368	1.3
386.10587	0.9
403.19443	1.3
421.04535	8.8
421.10226	1.4
421.11139	1.6
421.21115	20.5
422.04538	1.6
422.20874	2.5
445.13281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01876	7.7
57.03452	5.7
58.00596	0.8
59.01381	48.6
61.98838	1.1
64.70772	0.6
68.99812	0.8
69.03446	3.3
69.11340	1.5
69.11738	2.5
71.01383	90.2
72.01722	1.1
72.99310	2.1
73.02949	42.1
75.00889	1.7
81.03466	1.8
83.01392	14.1
84.36633	0.7
85.02953	40.4
87.00878	4.4
89.02445	23.1
89.03280	0.8
95.01392	7.8
95.63700	0.6
97.02959	5.5
98.22623	1.0
99.00884	18.3
99.04472	0.7
101.02444	63.2
102.02791	1.6
103.07456	0.7
106.96457	0.7
111.00882	2.1
113.02452	34.1
115.04005	3.2
119.03514	1.0
125.02439	10.5
127.11312	2.0
129.01961	2.0
131.03510	4.3
133.03049	0.6
134.03754	1.7
143.03490	4.7
149.04559	3.9
158.24889	0.6
159.02994	7.5
161.04565	39.1
162.04906	1.4
189.01927	5.5
191.05602	2.0
233.06720	9.1
247.09863	1.5
272.03772	0.6
274.97989	0.6
289.16580	61.0
290.16940	3.9
293.08704	5.0
329.67911	0.7
352.07907	2.4
421.20779	100.0
422.21155	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50253	3.3
59.01379	5.3
60.99287	3.3
61.98823	19.6
69.03448	6.3
70.12495	7.6
71.01379	3.7
73.02957	4.3
75.09130	3.4
79.71539	3.0
83.05022	5.0
88.98810	43.6
89.02454	54.6
95.05025	8.7
97.02931	17.5
109.06577	5.4
125.09720	5.2
133.02913	9.0
137.09740	9.7
171.10228	15.2
172.09265	3.4
177.02054	4.2
177.09283	4.2
177.12891	7.2
191.03540	4.3
192.04263	22.0
193.08467	8.5
211.13336	12.0
221.11839	27.5
223.13396	17.2
233.11589	6.0
233.15471	6.9
239.12840	28.4
247.13361	3.6
249.14941	17.6
262.11496	3.1
267.73038	3.7
275.20523	4.1
277.21689	56.7
278.22018	5.1
285.77051	3.5
293.21219	4.5
305.21234	7.2
309.20663	5.1
313.17871	7.5
331.19061	51.4
332.19360	4.8
347.18503	4.0
349.20193	100.0
350.20480	11.2
403.17679	4.9
403.24698	17.8
409.46484	3.5
421.22086	21.6
421.26093	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	95.4
60.01701	1.0
62.97079	0.8
69.37723	3.2
78.47268	0.7
78.54745	0.8
82.70792	0.7
95.05036	0.9
95.43020	0.8
102.95647	0.9
103.01497	100.0
104.01893	1.0
120.09703	0.8
125.87334	6.9
126.88142	2.8
127.87029	7.0
128.87784	3.7
140.37306	0.7
157.86292	1.2
159.86024	2.3
196.88582	1.0
208.46866	0.8
295.22787	3.6
313.03156	1.8
314.03284	1.8
315.02805	1.8
317.20792	2.1
350.00964	1.9
351.00266	2.5
385.12173	1.1
421.09598	7.1
421.23151	2.1
421.29205	0.9
422.08951	8.9
435.25406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00270	0.6
78.95902	37.0
82.66601	0.6
105.08201	0.7
109.12255	0.8
110.98528	54.3
152.99506	3.5
167.01131	12.0
185.02191	100.0
186.02567	1.2
253.21713	30.0
254.21997	1.9
302.89865	0.7
312.45715	0.7
323.87637	0.8
421.23563	15.8
422.24234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58137	0.6
69.20364	3.5
74.49532	0.7
78.95900	47.7
83.25273	0.9
84.96944	0.7
98.21817	1.3
104.97456	0.8
110.98531	66.9
152.99564	4.0
167.01151	13.7
177.66045	0.7
185.02190	100.0
186.02493	1.8
189.23080	0.8
253.21709	30.7
254.22015	1.5
276.16425	0.7
307.16275	0.7
346.33749	0.7
397.33362	0.9
421.23639	14.9
422.23871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83559	0.7
57.00172	0.7
63.43435	0.7
69.35106	3.3
71.07769	0.8
78.95898	42.6
94.13425	0.9
110.98528	56.1
115.73687	0.8
131.50545	0.7
141.96030	0.9
143.12022	0.8
152.99586	3.8
167.01135	12.3
185.02193	100.0
186.02502	1.7
253.21706	26.8
254.22021	1.8
263.08389	0.8
282.63849	0.8
421.23615	15.3
422.24002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41312	0.8
67.28535	0.7
67.44429	0.6
69.28365	3.3
78.95901	41.2
104.97466	1.4
110.98530	54.0
111.73784	0.8
122.39774	0.9
142.66464	0.9
152.99593	4.9
167.01137	13.3
185.02188	100.0
186.02562	1.5
219.36691	0.7
234.79378	0.9
245.39824	0.8
253.21718	30.2
254.22113	2.3
404.30350	0.8
421.23602	15.2
422.23749	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08249	0.7
57.03354	1.0
59.01275	0.7
61.53980	0.7
61.98703	5.6
61.99050	1.7
65.03871	0.8
69.41803	2.1
69.42191	1.6
80.02596	0.7
88.98686	1.2
89.02324	1.8
97.02233	0.7
97.06435	3.1
98.98215	0.8
123.08055	1.3
125.09546	12.6
126.09932	0.7
136.95500	0.7
163.11067	1.0
171.10196	1.7
185.11681	1.0
189.16318	2.8
192.04192	1.9
209.11673	2.5
211.13387	5.5
213.14784	1.4
215.14381	4.6
233.15453	63.0
234.15768	4.6
249.14807	2.6
251.16451	4.7
277.21555	0.9
331.26657	3.5
341.24600	1.1
349.19934	1.3
367.22812	0.9
375.25443	3.5
385.23660	5.8
393.26532	3.0
403.24872	100.0
404.25244	9.7
421.25967	25.1
422.26382	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99317	10.7
61.98839	49.8
69.29218	47.8
83.36645	9.2
87.07251	9.1
87.26303	8.3
88.98805	100.0
89.02449	63.1
94.79555	10.0
97.02966	8.5
97.25672	8.9
133.02960	10.7
165.12917	8.4
191.03517	10.9
192.04306	32.3
193.04961	9.9
193.08466	13.3
209.11841	12.3
211.13283	13.4
215.10423	8.9
223.13422	10.5
233.11588	49.9
233.15428	18.2
234.74228	9.7
239.12794	11.5
277.21747	15.2
309.47415	9.8
331.19174	27.9
336.73267	7.9
349.20264	43.0
349.48785	9.7
403.17514	10.5
403.24753	27.4
421.26190	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2592
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.35779	0.5
57.03433	1.5
59.01360	1.5
61.98833	6.6
64.42334	0.5
65.03954	1.4
69.60728	1.7
71.01380	0.5
83.05018	0.7
88.98795	1.5
89.02438	1.9
95.05039	0.8
97.06602	2.8
109.06545	1.5
123.08134	1.9
124.44370	0.5
125.09724	15.4
133.02919	1.0
135.08176	0.6
159.08113	0.8
163.11266	1.4
171.10269	2.7
185.11784	1.4
189.16484	2.5
192.04204	2.8
207.13921	1.2
209.11845	3.1
211.13393	7.2
213.14983	1.1
215.14412	4.0
231.13879	0.6
233.15448	67.3
234.15778	5.2
235.13441	0.9
235.17168	0.5
249.15050	3.5
251.16479	4.4
286.66095	0.5
331.26459	3.6
341.24817	1.0
349.20169	1.0
375.25415	2.6
385.19742	0.5
385.24045	5.2
392.98358	0.5
393.26590	3.5
403.24850	100.0
404.25201	10.2
421.25943	26.6
421.31744	0.9
422.26291	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2593
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.23569	0.5
55.26868	0.4
56.18056	0.5
57.03436	1.2
57.45201	0.5
59.01369	2.5
65.03940	0.5
69.03452	0.7
69.58034	1.6
71.05009	0.9
72.11280	0.5
81.03454	0.6
83.05026	5.5
85.06590	2.2
91.05552	0.5
95.05024	0.7
97.06585	2.3
105.07104	0.8
107.08635	1.0
109.06606	2.0
111.08154	2.4
114.27460	0.5
119.05022	1.1
121.68923	0.5
123.08143	1.5
125.09724	8.2
127.38585	0.6
137.06105	0.5
137.09708	1.2
151.11308	0.8
171.10258	16.6
185.11746	1.1
187.14900	1.4
189.16441	1.1
205.15990	3.4
209.11821	2.7
211.13396	4.6
215.14456	0.9
219.10338	0.8
221.15494	1.8
231.13927	2.2
233.15457	23.0
234.15788	1.5
239.16510	0.6
239.89165	0.5
247.13225	0.7
249.14931	10.8
251.16487	1.7
252.13612	0.9
252.31544	0.6
257.17606	1.9
283.19144	0.8
323.23459	0.6
331.26340	2.1
339.23169	0.6
341.24829	2.2
349.27347	0.7
357.24286	0.5
359.25894	0.9
367.23068	0.6
375.25323	0.7
377.26981	1.8
385.23975	3.6
393.26395	2.3
403.24850	49.8
404.25290	5.6
421.25925	100.0
422.26254	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88942	11.8
61.98832	38.0
70.49748	22.5
70.50098	24.4
71.60381	12.0
93.61589	13.7
97.37289	13.3
97.84573	13.8
116.92829	16.7
254.19370	12.6
271.88461	12.8
272.45889	12.2
335.05853	14.3
350.07956	14.5
365.06549	23.1
379.08215	100.0
380.08295	20.1
407.58386	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24314	1.1
55.01871	2.5
59.01379	20.4
61.98833	29.2
69.03438	1.1
70.87489	1.4
71.01382	31.2
73.02950	9.5
75.00847	1.2
83.01389	3.1
84.60350	1.0
85.02949	11.0
88.04042	74.8
89.02441	2.8
89.04397	1.9
95.75734	1.0
96.96000	1.9
96.99312	1.7
99.00874	3.5
101.02440	16.9
105.03465	2.9
113.02441	7.7
114.01953	2.1
115.00375	18.4
119.03518	1.2
129.01933	1.9
129.09114	0.9
132.03009	14.3
133.02939	5.9
134.03749	8.9
135.04532	2.7
136.05310	4.2
143.03342	1.0
145.01451	1.1
147.03030	1.2
149.06088	2.0
150.06860	2.8
151.07645	5.2
160.81602	1.1
161.04570	5.2
161.05870	1.1
162.03191	2.5
164.04773	1.2
175.07562	1.1
177.01958	2.7
177.05560	1.1
178.02713	2.3
179.07150	12.2
211.13422	1.1
215.10646	2.4
215.26553	1.0
219.13911	1.1
221.91220	0.9
225.77307	1.1
230.13130	3.7
231.10309	7.1
232.05946	1.0
248.14172	10.1
261.13675	1.9
273.13702	3.5
275.09244	22.8
291.14758	30.4
291.18152	29.7
292.12854	2.0
306.17123	4.1
307.15497	16.1
308.15924	1.8
328.28516	1.2
345.15585	1.1
350.10901	1.1
378.19220	10.7
422.18201	100.0
423.17209	10.6
423.23224	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92315	1.7
59.01381	69.8
61.98815	2.5
66.32581	1.9
69.34677	9.0
71.01382	15.2
83.01414	2.3
85.02950	3.7
89.02436	10.7
98.22572	3.4
101.02451	11.9
113.02448	6.4
119.03500	2.4
134.62877	1.8
163.11287	4.7
207.10225	7.4
244.73918	1.8
248.21552	1.7
297.85275	1.8
309.78894	1.9
387.16602	100.0
388.16931	10.0
423.18253	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75587	8.4
53.16111	8.8
55.14412	9.6
59.01375	35.7
61.98837	55.3
69.18103	7.4
69.35606	21.0
69.35997	16.6
71.01369	24.4
75.00895	12.2
82.65788	8.0
89.02438	14.4
101.02408	11.4
115.07658	14.3
125.09706	27.3
159.04463	15.5
165.04076	16.0
173.06059	8.4
174.00279	8.6
187.07642	28.7
187.09772	24.5
202.06328	8.6
275.09268	69.8
423.17758	100.0
423.21671	11.7
424.18179	10.4
442.34314	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62193	0.6
59.01381	70.5
60.01702	0.9
61.01795	0.7
61.98831	6.9
71.01384	12.6
72.99286	1.0
73.02947	2.0
75.00858	1.4
82.67155	0.5
83.01382	1.0
85.02954	3.2
87.00873	1.1
89.02449	12.7
95.01376	1.1
96.96024	1.0
98.95520	0.8
99.00882	0.8
101.02441	9.4
102.02806	0.7
111.00862	0.7
113.02439	6.6
119.03526	4.9
131.03465	0.8
143.03487	0.9
147.08104	0.7
161.04591	1.4
163.11282	9.0
165.05539	0.8
179.05566	0.8
207.10335	1.7
225.11299	1.2
233.01068	0.6
275.09195	1.3
387.16599	100.0
388.17014	8.7
402.08893	0.7
423.17740	8.3
423.22275	0.8
424.17529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56902	10.8
59.01386	91.8
61.97009	9.7
61.98820	26.4
69.41624	28.1
69.42014	20.6
71.01363	21.4
73.02945	17.5
75.00877	17.6
85.02967	29.1
85.60957	10.1
89.02433	41.9
98.22688	13.2
99.92593	34.1
100.04832	12.0
100.93335	20.0
101.02431	27.8
116.92861	70.6
125.09719	42.0
129.01932	15.3
147.06622	75.0
165.04024	45.9
173.06044	11.2
187.07599	31.7
187.09781	27.6
231.10260	15.4
233.96289	12.3
275.09293	100.0
327.02722	11.9
423.00079	17.4
423.12808	22.5
423.17667	80.2
423.22562	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80774	0.6
55.01880	5.3
57.03437	2.6
57.23877	0.6
58.00573	0.6
59.01379	32.5
61.98825	1.2
65.37400	0.5
71.01379	37.6
72.99307	1.0
73.02945	23.7
73.03360	1.1
75.00853	0.7
83.01385	9.6
85.02947	22.2
86.00099	1.6
86.03284	0.7
87.00871	1.5
89.02444	7.3
95.01402	3.4
97.02951	1.7
99.00874	9.6
101.02439	38.3
102.02801	0.9
111.00864	1.8
112.01652	1.3
113.02447	17.8
125.02467	1.3
129.01915	2.2
131.03493	1.2
133.02911	0.7
134.03769	3.5
135.04500	1.3
141.19440	0.6
143.03514	0.8
149.17776	0.5
157.39684	0.6
159.03017	3.6
161.02472	0.9
161.04558	14.2
162.03217	1.8
177.01863	0.7
178.02640	0.9
185.97375	0.5
275.09216	6.8
291.18124	49.0
292.18527	3.5
327.09912	0.6
376.72958	0.6
423.22342	100.0
424.22711	9.2
435.92523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94453	0.7
63.29821	0.8
65.96624	0.7
69.36688	0.7
78.95911	9.9
96.68518	0.8
99.22601	0.8
110.98534	7.0
167.01140	11.1
185.02238	2.7
255.23299	100.0
256.23657	7.5
423.25146	25.9
423.30856	1.1
424.25388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13767	1.3
78.95901	8.2
81.68392	1.6
110.98549	9.8
150.42380	1.6
167.01189	11.0
185.02184	2.9
218.06741	1.8
255.23288	100.0
256.23694	7.9
264.70908	1.6
423.25104	18.0
424.25690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37996	0.7
66.79916	0.7
71.11488	0.9
72.55979	0.7
78.95901	17.0
110.98522	12.1
131.38802	0.7
163.90448	0.7
167.01147	11.6
174.49113	0.7
185.02161	2.8
193.32501	0.7
223.01762	0.7
234.19235	0.8
255.23276	100.0
256.23599	6.0
301.93146	0.7
325.87473	0.7
423.25150	18.9
424.25418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23258	0.5
57.01491	0.5
60.73933	0.5
71.20344	0.5
78.95432	0.7
78.95904	14.1
81.98673	0.5
104.97481	1.1
110.98529	8.8
150.13120	0.6
167.01151	10.7
185.02184	2.2
255.23289	100.0
256.23651	6.9
302.58472	0.5
349.52045	0.6
423.25156	22.1
424.25446	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48484	0.5
52.93068	0.5
59.01369	1.4
61.98819	1.3
66.50299	0.5
69.03455	0.9
71.01379	0.7
72.99307	0.8
83.01437	0.6
88.98786	1.4
89.02461	0.9
114.79535	0.5
136.27463	0.6
140.00694	0.6
167.14412	0.8
172.96661	0.8
182.98734	0.9
183.13907	6.7
193.12300	1.8
200.96185	2.3
207.10217	0.7
211.01897	1.2
211.13385	100.0
211.98947	1.0
212.13695	5.3
226.97749	1.0
240.99361	1.7
241.99908	0.7
255.00790	0.8
255.11836	0.6
282.10468	0.8
283.00510	1.5
291.19632	0.6
294.44003	0.7
309.20721	1.4
311.03421	0.7
333.20477	1.1
351.17410	2.2
359.25729	0.9
369.24036	0.8
387.25134	1.0
405.26450	16.9
406.26550	1.5
423.16013	22.0
423.28003	2.9
424.16388	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60629	20.9
61.98810	81.2
65.95348	22.8
69.42967	100.0
72.30700	20.1
88.00319	24.0
92.92796	57.9
95.14034	23.0
116.43285	23.4
167.14378	32.3
171.10229	29.1
187.55602	26.0
196.67876	22.9
200.63213	21.1
211.13419	34.8
212.13762	24.2
229.14484	60.8
392.07956	27.2
424.16513	60.8
424.31805	30.5
425.17426	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2495
Annotation	Lythranidine
Peak:m/z	Relative Intensity
50.56792	1.4
61.98810	1.4
74.12229	1.3
79.98059	1.7
84.97881	1.7
86.02475	46.8
97.68712	1.5
103.01558	1.4
116.68625	1.5
128.89415	1.6
135.00931	1.6
139.59332	1.5
147.08174	2.0
147.91107	1.4
149.09718	2.5
163.11247	5.0
176.83028	1.3
187.11320	2.5
200.92160	1.4
234.40395	1.5
266.48593	1.4
276.30963	1.5
280.14511	1.5
309.22250	2.0
337.21716	100.0
338.21899	11.3
424.24878	73.3
425.25357	11.1
435.15469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01373	1.6
60.55997	1.0
71.01388	3.5
72.97542	5.8
73.02956	4.0
74.21088	1.2
87.00876	12.7
89.80369	1.1
94.02985	2.8
94.98080	7.8
95.05028	1.2
99.92599	1.3
100.52274	1.1
108.02152	1.3
110.02489	1.5
116.07207	3.3
116.92847	3.1
125.09747	1.8
137.02435	2.8
153.09256	1.1
180.61847	1.1
197.53799	1.4
222.15071	1.1
243.03479	1.2
266.59262	1.3
279.19617	1.4
286.11368	1.1
288.19775	2.4
291.19617	8.4
293.21259	8.2
294.21576	1.8
295.22891	2.4
306.20624	2.2
333.20728	1.6
334.21054	5.1
344.16858	1.9
346.20822	2.5
376.21698	1.9
423.80701	1.5
424.27075	100.0
425.27393	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99179	0.8
59.01359	1.3
61.98826	4.8
69.30011	4.3
71.01382	1.4
72.53271	0.7
81.03980	0.8
83.93087	1.2
84.93892	3.3
92.77466	0.7
99.00851	1.1
99.92585	68.0
100.92621	2.8
100.93355	33.7
101.93371	1.0
115.00388	1.0
115.92074	53.9
116.92179	3.7
116.92859	100.0
117.92921	5.3
130.00125	0.8
130.38194	0.8
149.06116	1.2
209.11765	2.1
227.00044	1.2
235.04062	1.0
248.04988	1.2
264.04541	1.7
266.06168	0.9
276.04599	1.3
279.03168	0.9
292.03986	1.3
293.04749	0.9
294.05719	1.5
307.19263	0.9
315.83630	0.8
320.03665	2.2
321.04324	2.2
327.10852	1.0
338.04642	3.2
345.11755	1.0
357.07880	1.9
359.09589	2.5
365.16290	1.0
371.09592	3.8
373.07730	1.1
375.09201	1.3
377.10727	2.1
385.07477	3.2
389.10623	46.0
390.10892	6.4
403.08530	11.7
404.08923	1.9
407.11615	7.9
408.12204	1.8
421.09702	4.9
425.12817	31.3
426.12930	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74759	1.5
59.01380	58.0
61.98825	4.2
69.32704	7.6
69.54733	1.3
70.92216	1.1
71.01379	9.4
71.57811	1.2
72.83537	1.3
73.02940	4.5
73.66926	1.3
79.08379	1.4
83.01395	2.1
85.02949	6.2
89.02453	5.0
90.83863	1.4
92.19650	1.4
93.04606	3.3
96.96011	4.4
98.22646	3.1
99.00881	2.6
101.02449	6.4
109.04074	2.4
109.84262	1.3
113.02450	4.6
119.03512	2.6
134.30453	1.6
134.40520	1.5
137.03578	2.1
147.39397	1.3
151.27997	1.4
160.45753	1.3
161.04605	1.6
211.13428	1.8
293.15973	1.8
389.18164	100.0
390.18478	7.5
425.17831	1.8
432.52475	1.4
434.61087	1.7
449.60284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76948	13.5
59.01364	20.5
69.67477	12.4
96.96013	40.8
96.96922	14.7
99.39874	11.4
114.93423	26.4
145.54457	12.9
146.80002	14.0
205.69080	15.3
211.13235	19.9
265.07611	38.5
267.09064	98.7
268.09320	14.4
285.92584	13.9
295.08661	42.8
309.10172	44.4
327.11185	15.2
327.21701	67.6
365.16357	56.2
381.32275	16.0
409.77689	13.7
425.18481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74910	3.6
56.79377	3.2
59.01381	81.3
61.98819	6.9
70.65845	5.3
70.66177	4.1
70.93539	3.8
71.01377	49.8
72.99310	4.1
73.02952	10.6
78.24094	3.8
82.95413	9.4
85.02941	13.0
87.00881	4.2
89.02439	63.9
97.06618	5.7
101.02430	24.9
113.02460	16.5
119.03495	27.0
131.03458	4.0
143.03476	5.5
144.03101	4.1
145.16370	3.9
149.77921	4.4
161.04547	8.4
179.05673	23.5
188.04979	3.8
203.12854	18.2
217.48758	3.7
365.18161	100.0
366.18478	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01882	0.5
57.03439	0.5
59.01371	1.9
61.98819	0.5
69.76256	1.2
69.76646	1.1
71.01373	0.8
96.13748	0.6
98.21862	0.8
99.69366	0.5
107.93055	0.5
120.90168	0.5
153.19536	0.5
165.12872	0.6
177.12831	0.8
183.13887	9.6
183.15340	0.4
193.12288	1.0
195.13887	22.3
196.14192	1.1
205.62059	0.5
211.13393	29.8
212.13747	1.6
213.14967	10.5
223.13342	1.0
267.09189	0.8
287.20526	0.6
305.21201	0.7
309.20645	1.0
315.26953	3.4
317.21161	1.4
327.21890	0.9
333.27972	0.6
335.22223	4.6
336.22794	0.6
347.22260	0.8
359.25928	3.6
377.27020	2.7
395.28021	0.8
407.28116	1.4
425.29077	100.0
426.29391	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.2
61.98809	2.0
69.23601	4.8
74.65022	0.8
92.92816	5.9
95.84328	0.9
97.93169	0.9
127.09917	0.8
165.12830	1.2
183.13896	11.2
193.12355	0.8
195.13885	26.2
211.13402	35.2
212.13741	2.0
213.14966	9.8
214.15468	1.0
223.13420	1.1
252.28714	0.7
315.26935	3.3
317.20966	1.0
333.24390	5.7
335.22275	5.3
351.25546	1.4
353.18973	1.5
359.25858	2.6
371.22284	1.0
377.27039	4.1
395.27899	1.0
407.27829	1.5
425.29083	100.0
426.29483	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98829	100.0
94.92577	0.7
96.96011	4.2
98.21895	1.8
99.92593	4.7
115.92084	1.3
116.92892	2.7
118.89986	5.5
119.90720	0.9
134.89467	4.1
135.90259	1.2
145.73189	0.7
203.40964	0.6
261.05750	2.0
289.05096	3.6
309.20789	0.9
317.04636	1.5
318.05371	1.6
335.22418	0.9
350.04233	0.8
363.04993	9.2
372.10440	1.7
390.11484	3.0
404.09415	0.7
454.97351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48898	2.8
59.01352	3.3
61.98827	100.0
63.78740	2.8
70.72221	4.6
75.44452	2.7
78.26196	3.0
99.92581	9.6
108.88187	2.7
115.92071	4.9
116.08026	3.1
116.92860	6.4
161.23682	2.7
171.10249	6.7
232.05426	4.5
247.20697	3.6
248.21053	3.2
260.04861	5.9
261.05508	30.6
289.05038	40.9
290.05569	4.2
308.64774	2.9
363.05099	38.1
425.27441	13.1
426.27252	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	5.0
62.66605	2.6
69.44936	13.2
75.63696	2.9
93.03457	7.1
96.95996	2.8
99.92590	6.3
100.66418	3.5
100.93357	6.2
109.03001	3.6
114.74571	3.1
115.92060	5.1
116.92856	8.7
117.03445	18.1
118.90005	5.0
120.02206	3.7
121.02962	10.9
145.02995	3.6
146.03719	3.3
160.00351	3.2
161.02498	17.1
161.03671	3.3
174.03229	3.1
189.01901	24.1
190.02669	6.4
202.02728	4.2
207.02971	5.0
217.01443	6.7
218.02150	37.9
219.02417	3.4
279.06708	5.1
307.06186	3.7
325.07132	4.0
353.06662	100.0
354.06882	7.4
365.06665	26.2
383.07626	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26897	0.4
57.03446	2.0
57.31281	0.3
59.01371	1.5
61.98827	0.8
70.59094	0.5
70.59404	0.4
71.01385	2.0
71.59113	0.4
72.99315	0.7
73.02946	0.6
85.02950	11.6
87.00877	49.9
87.85178	0.4
88.01206	0.5
96.95995	0.5
99.00871	3.1
101.02445	5.0
101.06107	1.9
103.04012	7.0
104.09215	0.4
115.39838	0.3
147.03293	1.5
147.06635	100.0
148.06984	3.0
150.05620	0.5
151.20013	0.4
157.05327	1.3
160.04060	1.6
162.09229	0.5
173.04787	1.1
174.05550	0.9
175.06378	1.2
190.08701	4.3
206.08295	0.8
234.07681	5.9
267.24185	0.5
278.06729	3.8
290.93213	0.4
338.12427	2.6
408.13159	0.4
424.67963	0.4
426.14056	2.4
426.19028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41335	0.4
55.01867	0.5
57.03439	2.2
59.01376	2.4
61.98825	2.9
69.08643	0.4
69.57016	0.5
69.57375	1.4
71.01382	2.1
71.12986	0.3
72.99290	0.6
73.02943	1.0
85.02948	11.2
87.00873	46.8
88.01200	0.6
89.02460	0.5
93.04585	0.7
96.96012	1.0
99.00880	3.8
101.02436	5.2
101.06069	1.6
103.04015	7.7
105.24586	0.4
137.03523	0.7
146.06091	0.6
147.06631	100.0
148.06970	3.3
150.05522	0.5
154.06172	0.6
157.05325	1.4
159.31325	0.4
160.04045	1.8
161.02467	0.6
162.09233	0.8
169.00958	0.4
172.07640	0.8
173.04854	0.6
174.05617	1.4
175.06352	1.1
190.08728	4.2
206.08269	0.8
207.00325	0.4
210.75941	0.4
216.06607	0.5
234.07674	6.8
235.08052	0.5
278.06717	4.1
287.38538	0.4
338.12610	2.4
388.16971	1.0
390.18549	0.6
426.14343	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	42.4
61.98825	73.8
69.18204	23.3
69.51351	100.0
80.16930	24.8
115.04209	26.8
118.89930	42.7
182.22800	26.5
396.82117	29.4
426.17911	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78960	5.2
54.67888	5.5
59.01384	10.5
61.98828	69.7
68.32468	5.8
69.88687	5.7
69.89005	14.5
78.94803	5.9
81.12121	4.9
96.96004	60.1
98.21948	8.7
99.92577	86.6
100.93336	6.9
102.67782	5.5
111.36433	6.8
115.92080	22.2
116.92842	41.7
118.89974	100.0
119.89974	7.4
119.90762	12.7
123.61092	5.6
134.89478	91.1
135.90262	14.0
138.25392	6.3
199.43010	5.6
216.60561	5.9
261.94614	6.4
309.20792	7.1
332.06921	6.1
372.10269	35.7
390.03232	11.7
390.11423	40.0
391.11594	6.8
396.23300	7.2
404.09451	13.2
426.09283	6.2
426.28714	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.5
61.39952	26.4
61.98819	100.0
70.97592	28.6
70.97913	24.8
92.92775	53.4
98.75806	22.8
99.92573	61.9
118.89922	35.8
148.69484	23.1
150.38976	21.6
183.95274	23.9
189.25319	24.6
231.90318	25.0
234.64909	22.1
238.46933	24.2
302.70572	26.4
426.18152	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11271	16.7
59.01381	26.8
61.98831	95.1
66.02325	16.6
69.18824	97.2
71.01369	37.0
77.72900	18.7
98.22704	40.4
116.92844	27.8
237.09769	22.3
292.20242	38.7
305.06488	19.2
309.20874	36.6
310.21060	100.0
336.22723	30.6
410.68274	26.1
426.28555	40.1
427.19827	35.4
443.26761	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01087	1.9
59.01363	6.1
61.98830	14.2
65.00305	2.0
68.99802	2.8
69.03439	7.6
70.40051	1.6
71.01367	2.8
71.44582	2.2
72.99304	2.2
74.16911	1.6
74.94618	1.6
75.00869	18.2
83.01366	2.7
84.64639	2.2
85.02946	1.7
91.01881	3.4
93.03460	3.7
99.00869	5.4
99.92580	6.0
100.93351	3.6
109.02969	2.6
113.02448	100.0
113.99582	2.3
115.92070	6.3
116.92850	15.2
121.02966	3.2
150.98241	1.5
162.91664	1.6
165.01907	3.6
167.04929	1.9
171.10248	3.9
173.02388	3.0
178.29982	1.7
179.04944	1.8
185.06111	1.8
193.08281	2.0
195.04480	3.8
197.06078	2.9
205.02919	2.9
207.04517	8.4
208.05322	3.1
209.06026	5.2
210.03291	2.0
211.04095	8.2
213.05469	2.7
217.01392	3.6
221.05981	2.7
223.04015	4.2
224.04735	3.3
234.03160	3.1
235.04018	8.0
236.04649	2.7
237.05585	12.5
239.03542	11.5
239.06982	1.9
241.05032	3.0
248.04689	2.1
249.05569	2.5
252.04295	3.2
253.04968	3.0
255.03036	2.0
263.03430	8.0
264.04199	2.6
265.05072	11.4
266.05710	4.6
267.02969	11.2
268.03683	8.8
269.04446	8.0
269.07047	2.7
281.04419	3.9
283.02487	2.5
291.02777	2.5
293.04593	9.0
294.05225	4.8
295.06033	6.5
297.04025	13.8
298.04706	5.8
309.04041	6.5
313.07043	5.0
321.03952	5.1
322.04724	3.0
323.05594	10.6
323.08701	1.7
324.05927	1.8
327.21701	4.9
329.23248	3.5
337.03583	8.1
338.04230	10.2
349.03122	1.9
351.05002	2.2
353.06339	2.2
367.04626	3.1
367.18033	2.6
379.04700	1.9
391.11884	2.8
397.05429	2.2
400.26331	1.7
427.14185	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65227	3.1
51.62486	3.3
56.47369	3.1
59.01377	100.0
61.98829	53.6
69.44906	11.6
72.16005	3.4
72.99300	3.4
79.85432	3.5
95.04969	3.3
99.92583	40.8
100.93351	32.3
115.92078	41.5
116.00986	3.5
116.92854	71.9
140.90623	3.3
173.06042	3.5
192.67590	3.6
202.02728	4.0
217.05031	12.0
266.63095	3.3
303.24341	3.7
305.25305	3.9
308.39368	3.7
309.20718	7.0
323.09238	9.0
356.39783	3.7
383.06998	4.5
391.12225	20.0
403.29288	3.8
405.10107	5.5
409.13239	5.8
427.14523	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1033
Annotation	epsilon-Rhodomycinone
Peak:m/z	Relative Intensity
59.01356	1.3
61.98824	1.5
62.51865	0.4
63.46783	0.4
69.21900	2.1
72.99281	0.6
78.36189	0.4
79.57630	0.4
82.95459	0.5
85.02946	2.5
93.03445	2.1
96.96024	5.0
113.02394	0.4
117.03456	5.7
120.02143	0.5
148.01660	1.0
161.02454	2.2
163.00349	1.3
163.03952	0.9
164.01196	0.8
165.02010	0.5
175.00401	1.2
177.01935	1.3
178.99887	1.5
179.03490	1.3
188.01141	0.7
190.02722	0.6
191.03537	0.6
205.05121	1.3
209.06065	0.7
216.00537	1.0
221.04482	1.0
225.05492	0.6
231.02959	1.0
237.05562	0.9
240.04289	0.6
247.02321	0.6
251.03432	0.5
252.04189	0.7
253.05077	3.4
254.05675	0.9
266.05902	0.5
267.06656	0.9
268.00842	0.8
268.03769	15.6
269.04520	9.3
270.05072	0.6
280.03598	0.6
281.04553	10.2
282.05307	20.3
283.02881	0.9
283.06042	8.5
284.06244	0.7
290.57202	0.5
293.04523	5.3
294.05325	0.9
295.02518	2.9
295.06119	3.7
296.03177	3.0
297.04025	19.7
297.07413	1.1
298.04425	1.6
308.03137	2.9
309.04013	5.1
310.04709	0.7
311.05612	1.3
314.04333	1.7
321.04095	1.0
322.05042	0.6
323.05609	1.9
324.06189	0.7
325.03635	1.0
325.07132	12.2
326.04117	0.6
326.07480	1.0
339.04852	0.5
341.06638	29.3
342.06931	2.8
353.06546	2.4
355.08246	0.8
368.09006	0.9
383.07288	0.8
383.11435	2.0
427.10327	100.0
428.10654	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1182
Annotation	Eupachloroxin
Peak:m/z	Relative Intensity
54.94329	1.1
57.54094	1.2
59.01369	3.9
60.48603	1.0
61.98819	3.5
63.01186	1.1
70.16766	3.1
72.00903	16.8
84.95110	1.9
87.00832	1.4
108.97224	3.0
116.92836	1.7
127.96651	1.6
141.98192	3.7
147.04515	53.4
147.06508	2.8
148.04842	1.9
154.97688	5.7
164.07158	73.6
165.07401	1.7
171.07594	1.2
187.98782	3.6
200.98320	3.0
217.29651	1.4
261.96121	1.7
335.05536	2.7
427.11819	100.0
428.12122	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27345	0.9
51.05249	0.8
61.98817	1.5
64.42950	0.9
69.49182	4.0
73.01881	0.8
83.93131	1.3
84.93864	4.1
99.92576	42.5
100.92659	2.4
100.93359	42.6
101.93375	2.1
115.92076	37.4
116.92855	100.0
117.92870	3.9
124.93511	0.9
150.35591	1.0
248.04903	1.3
249.05916	1.1
253.05269	0.9
293.04919	8.3
294.05225	1.3
303.07251	0.9
304.03839	1.0
309.04294	1.4
311.05908	1.5
322.05096	9.3
323.05475	1.4
373.11127	12.9
387.08960	1.6
391.12189	16.2
392.12341	2.7
405.09998	2.9
409.13135	2.6
427.14230	20.7
428.14517	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10995	3.4
59.01367	14.6
61.98814	13.1
71.01363	3.6
83.10081	3.0
84.93871	5.4
87.04504	19.5
94.26068	2.7
99.92581	57.3
100.93353	31.3
115.92086	52.7
116.07152	10.4
116.92146	3.4
116.92855	100.0
117.92844	5.7
118.78979	3.3
120.45753	2.9
132.93970	3.4
165.56020	3.5
206.69791	2.9
288.41812	3.3
293.04807	5.2
322.04935	3.8
333.07867	11.3
349.07513	3.3
356.95212	3.4
373.10950	10.3
391.12170	21.1
396.89618	3.8
405.09894	9.9
409.13007	3.8
426.28302	4.7
427.14365	24.2
427.27344	12.1
428.14365	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22810	2.1
59.01371	4.1
61.98818	9.1
70.45610	3.9
80.35128	2.1
81.85990	1.8
84.93861	3.4
96.95990	2.7
99.92577	51.2
100.92649	4.9
100.93346	35.6
115.07736	2.6
115.92076	55.8
116.92857	100.0
117.92924	2.7
202.07275	2.6
242.02473	2.4
291.19653	3.0
309.20801	2.7
327.21704	5.3
361.11218	3.5
373.20917	2.6
391.07098	3.4
391.12195	61.9
392.12378	7.1
395.11530	5.1
405.09955	5.8
409.13028	5.9
423.11206	6.4
427.13608	21.1
428.14011	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00847	0.7
51.12043	0.7
55.01862	1.0
57.03437	2.0
58.80457	0.7
58.99591	1.8
59.01376	7.1
61.98833	5.9
69.03447	1.0
69.41312	2.1
71.01380	16.2
71.01777	1.0
72.99325	0.7
73.02602	0.6
73.02959	4.6
75.00932	1.0
82.95420	1.5
83.01377	1.7
85.02950	9.3
87.00874	42.9
89.02449	1.3
91.80099	0.6
95.01396	1.5
99.00874	1.8
101.02450	9.5
113.02466	5.6
119.50186	0.6
126.86477	0.7
128.03534	0.8
129.01988	0.7
129.09218	2.6
135.92427	0.7
139.08688	0.9
149.02402	4.2
159.03004	1.1
161.04556	5.6
164.04761	5.7
177.09537	61.8
178.09880	2.8
179.07135	2.4
206.48428	0.7
208.03709	1.9
223.06122	12.1
247.10002	2.1
249.06142	37.1
250.06471	2.1
265.07080	1.1
265.10980	0.8
347.87799	0.6
367.10291	0.7
397.24896	0.8
427.16400	100.0
428.16748	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48055	0.1
57.03442	2.2
69.57838	0.3
69.58248	0.3
71.01388	0.1
73.02939	0.9
85.02950	12.6
86.03266	0.2
100.04060	0.2
101.02442	5.3
101.06087	1.9
103.04010	7.4
122.60994	0.1
144.03017	1.5
147.06633	100.0
147.68361	0.1
148.06961	3.1
149.96906	0.1
194.80951	0.1
279.09851	0.7
415.62665	0.1
427.17145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01082	0.1
56.78001	0.1
57.03448	3.0
57.23631	0.2
58.54698	0.2
58.99594	1.5
59.01387	0.9
70.73066	0.3
71.01381	0.6
71.71781	0.2
73.02944	1.1
74.99094	0.3
75.57126	0.2
78.42702	0.2
85.02950	14.2
85.79398	0.2
86.03288	0.2
86.37302	0.2
87.00847	0.6
89.02453	0.6
95.47483	0.2
96.01330	0.2
99.00901	0.3
100.04032	0.5
101.02440	5.6
101.06055	1.2
103.04010	8.5
104.63497	0.2
113.02495	0.3
115.63218	0.2
119.03451	0.2
125.01222	0.2
144.03008	1.6
147.06633	100.0
148.06993	2.6
161.04588	0.2
177.09535	0.2
191.17072	0.2
247.10115	0.4
249.06169	0.4
278.69046	0.2
279.09891	1.1
315.77936	0.2
427.16769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
58.99608	1.3
59.01379	77.4
60.01704	0.7
61.98823	1.5
66.98028	0.6
69.36891	3.6
71.01004	1.3
71.01377	14.9
73.02557	1.1
73.02943	15.0
77.92634	0.6
83.01388	3.9
83.05029	0.9
85.02951	17.9
87.00871	1.7
89.02446	3.9
95.01382	1.6
96.96015	1.6
97.02948	2.2
99.00874	0.9
101.02444	16.0
101.06086	1.4
103.04000	8.7
113.02451	7.8
113.06145	1.0
119.03515	1.6
123.08163	1.3
125.06094	2.8
125.26407	0.7
126.21922	0.7
136.05321	1.4
138.06865	9.5
139.07611	2.7
143.03462	1.3
144.03009	1.5
147.06631	100.0
148.06961	3.4
151.07660	8.0
152.04820	0.8
152.08426	18.8
153.09212	52.8
154.09549	2.3
154.50822	0.7
161.04517	4.3
163.11270	1.9
165.09177	2.3
187.11288	1.4
203.05602	0.7
205.12328	16.0
206.12685	0.8
223.13406	6.8
284.31854	0.7
367.17593	5.3
385.18527	1.9
407.95859	0.7
427.19681	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01710	1.4
61.98826	3.9
62.23794	1.2
62.95187	1.6
65.24081	1.2
66.79369	1.4
71.01381	2.2
91.04025	1.4
96.96006	3.2
99.92593	2.4
102.12054	1.2
110.17856	1.2
118.89994	3.2
132.78592	1.4
203.35339	1.4
235.16942	2.0
275.20135	4.6
293.21249	4.7
311.22195	3.3
374.11758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40459	0.7
59.01380	100.0
60.01710	1.0
61.98838	0.9
64.46280	0.7
69.78838	1.6
69.79227	1.8
70.65709	0.8
71.01376	1.1
73.35460	0.8
91.04012	3.2
92.92797	5.0
97.93114	1.3
99.92602	2.1
112.27175	0.7
116.90493	0.8
116.92888	0.8
118.89934	3.9
171.10316	0.8
207.51765	0.7
275.20184	2.1
281.33179	0.7
286.85809	0.9
293.21234	12.2
294.21576	0.9
311.22223	2.0
355.20691	3.5
392.13544	0.7
404.65363	1.0
427.18869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	33.8
61.98831	19.2
66.99169	11.3
69.36829	14.8
88.26503	12.6
96.96009	22.9
99.92599	40.3
100.93375	23.9
115.92075	44.8
116.92856	100.0
118.89969	16.4
182.03485	11.5
182.81532	11.3
224.43852	12.1
237.47421	13.2
241.61478	12.5
327.21594	18.5
427.14392	20.8
427.21536	12.9
427.27362	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49508	0.4
59.01380	2.4
61.98829	100.0
62.98534	0.4
63.36235	0.4
71.01392	0.7
71.08321	0.4
99.92607	2.1
100.93409	0.7
115.92097	1.9
116.92861	2.8
117.92955	0.8
118.90000	0.9
222.20818	0.4
232.59068	0.4
263.71503	0.4
300.55463	0.5
350.04340	1.1
365.06808	0.9
391.12689	0.7
392.12415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02791	0.5
58.62976	0.6
58.72141	0.6
59.01380	2.6
61.98828	100.0
69.61199	2.1
73.68919	0.5
96.95991	0.7
99.92039	0.5
99.92558	3.2
110.81418	0.5
115.92068	1.4
116.92876	2.4
118.89976	3.0
125.67056	0.5
133.33804	0.6
134.39355	0.6
134.89493	2.1
138.05571	0.5
153.75218	0.5
177.21649	0.5
194.86589	0.6
364.72015	0.6
365.06702	2.1
374.12076	1.1
392.12778	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01380	1.3
59.01370	5.9
61.98832	2.9
69.49813	1.4
69.77410	4.6
76.58902	1.3
79.95745	1.3
81.62332	1.4
94.92509	2.3
96.96008	61.0
99.92583	100.0
100.92589	4.3
100.93354	8.1
112.55807	1.3
115.92072	18.5
116.92084	2.1
116.92853	21.6
118.89978	91.5
119.89961	4.1
119.90768	7.7
122.51704	1.4
133.19318	1.4
134.89478	35.3
135.89452	1.6
135.90257	23.0
136.26593	1.4
136.90218	2.3
141.93642	1.7
275.73071	1.4
293.04950	1.6
305.04871	26.5
306.05109	2.8
323.05893	38.7
324.06100	3.7
341.02429	5.2
345.07849	2.1
374.11731	6.3
392.12952	35.5
393.13168	5.3
393.72955	1.4
428.10593	26.6
429.10822	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92122	13.1
59.01379	100.0
59.46688	11.3
61.98822	42.3
62.44191	11.0
73.85877	12.2
75.36685	11.7
96.96017	17.2
97.57779	13.0
99.92570	33.9
108.92926	12.6
116.98285	11.9
134.89500	12.5
155.48045	11.8
158.51001	14.6
198.85008	12.8
342.16992	60.3
355.16400	17.4
379.58694	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56467	12.3
59.01381	100.0
61.68714	12.2
61.98819	14.0
69.56988	45.7
71.01379	65.4
73.02933	15.4
85.02946	19.0
89.02428	31.8
98.22158	35.9
98.25861	12.0
101.02431	28.1
108.02221	20.4
113.02429	20.5
134.10628	11.2
138.06723	16.6
152.08426	13.9
153.09261	41.1
161.04544	36.1
167.03479	26.1
179.05634	22.0
205.12367	22.9
223.13354	31.3
232.00311	11.9
320.84482	14.6
385.18631	54.5
390.18237	15.4
429.17587	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54827	5.9
58.99605	43.1
59.01373	100.0
61.98817	15.5
71.01394	37.5
73.02943	17.1
74.99087	14.9
83.01398	8.0
85.02950	21.3
87.00875	18.5
89.02427	40.3
96.93567	7.1
101.02440	27.8
113.02437	14.1
119.03515	15.9
131.03506	7.6
131.68210	6.5
147.06465	7.3
149.04509	8.6
161.04517	10.8
165.09201	24.4
248.10443	7.5
249.06064	13.4
250.06505	12.8
256.25848	6.2
417.78116	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51088	0.9
53.84172	1.0
57.03447	1.4
59.01379	100.0
60.01686	1.0
61.98845	1.8
69.51737	2.1
69.52123	2.0
71.01379	30.2
73.02950	4.6
76.61920	0.9
77.00558	0.9
80.10117	0.9
83.01382	1.6
85.02942	7.1
87.00875	0.9
89.02445	44.8
95.01407	1.7
99.00878	1.0
101.02441	17.4
113.02443	14.7
118.97590	0.9
119.03502	16.7
130.62024	0.9
131.03528	2.0
143.02536	0.9
143.03477	5.5
145.26460	1.0
149.04572	2.2
161.04544	10.4
167.72025	1.0
179.05634	20.1
187.76884	1.0
207.13890	1.1
267.31512	1.0
282.05380	0.9
295.08057	0.9
314.63742	0.9
337.09796	1.0
340.63416	1.0
369.19342	0.9
387.20343	5.2
393.17682	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98827	34.7
71.01379	29.2
71.44316	4.5
73.02937	13.6
82.95422	13.2
85.02954	21.2
89.02447	21.5
89.66528	4.5
96.95999	5.4
101.02437	27.1
108.02174	12.0
113.02471	15.3
119.03516	7.3
152.01122	14.9
152.08424	7.0
153.09230	22.5
156.50368	4.6
161.04555	16.0
163.11307	13.6
167.03516	27.1
171.52261	4.8
179.05664	9.0
185.15590	4.7
223.13336	15.2
234.95337	4.3
385.18619	18.5
390.18475	21.0
429.17636	40.6
429.23264	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69254	1.9
58.83524	1.7
59.01377	4.7
61.98829	5.3
70.74736	1.8
96.96007	59.9
97.93131	2.1
99.92583	100.0
100.92649	3.2
100.93361	8.2
115.92064	16.2
116.92841	21.3
118.89976	90.0
119.89977	4.2
119.90765	7.8
134.89481	37.9
135.89311	1.7
135.90259	28.6
156.93939	1.8
179.90201	1.7
182.25168	1.8
305.04913	25.6
306.05106	2.0
311.22308	3.3
323.05890	35.6
324.06015	3.8
337.03568	2.4
341.02527	6.5
345.07883	3.3
374.11755	5.8
375.12421	2.3
392.12918	40.6
393.13165	5.8
428.10657	22.0
429.10492	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89951	9.5
54.44572	7.6
59.01364	14.0
61.05049	10.3
61.98827	29.8
62.22673	8.5
69.86581	18.5
74.66885	8.3
77.54421	10.0
96.95984	52.4
99.92597	97.4
102.33815	10.0
115.92065	19.5
116.92866	25.2
118.89967	100.0
125.97756	8.8
134.89433	36.1
135.90248	25.4
157.52670	9.1
224.71312	8.5
392.12860	46.5
428.10452	38.0
438.31967	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	71.5
61.98825	78.8
66.34708	31.1
68.82281	29.1
71.01333	31.2
71.44809	32.3
90.61469	30.6
99.92583	58.6
103.12177	36.9
107.22731	33.0
113.48650	33.8
132.24821	34.0
157.29672	38.8
173.04524	34.3
220.14702	69.3
236.10506	40.2
237.61491	34.4
311.22342	47.0
330.23499	34.4
363.84753	41.9
368.17462	100.0
369.16217	40.8
416.36185	34.2
428.20538	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65979	0.5
59.01384	1.2
61.98829	100.0
69.67911	1.3
96.96022	1.6
99.92579	3.9
109.64340	0.6
116.92857	0.8
118.89983	4.5
119.90821	0.9
131.89967	0.5
135.90254	1.1
295.86707	0.6
305.35114	0.8
428.10779	5.5
433.46573	0.6
453.18597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40342	0.5
58.69503	0.5
59.01379	2.3
61.98829	100.0
64.82841	0.6
69.71949	1.7
96.96008	3.2
98.58053	0.5
99.89860	0.5
99.92594	3.0
115.92034	0.8
116.92867	0.9
118.89987	4.4
119.90813	0.7
120.89675	0.9
134.89502	0.8
141.55710	0.5
172.99336	0.7
175.26852	0.5
216.82890	0.6
271.60721	0.6
392.13058	4.3
428.10333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.6
61.98824	4.4
63.84871	0.7
69.61151	2.2
71.01342	0.6
76.53299	0.6
83.93087	1.0
84.93880	5.1
85.66875	0.6
98.95550	0.9
99.92582	45.7
100.92670	2.1
100.93358	47.0
101.93382	1.5
115.91209	0.9
115.92073	51.5
116.92855	100.0
117.92878	4.6
118.89945	1.1
132.92372	0.8
139.11307	0.8
171.10364	0.8
194.00423	0.7
229.03302	0.7
239.03770	0.9
247.04138	0.8
248.04985	1.1
249.05933	1.5
253.05177	1.3
254.02557	0.7
255.03313	0.9
263.03656	1.5
264.04660	0.8
265.05420	0.7
267.03262	1.3
279.03247	1.7
281.04834	1.0
293.04886	15.8
294.05026	2.7
296.63071	0.7
310.05139	1.5
311.05789	2.4
311.10504	0.7
325.03665	0.8
329.23257	2.0
363.12592	0.8
375.12677	26.8
376.12811	3.2
379.12061	1.3
389.10541	3.0
393.13733	39.1
394.14041	7.0
407.11591	12.8
408.11929	1.8
411.14844	6.2
412.15506	0.7
429.15808	45.2
430.16055	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03450	2.7
59.01380	100.0
60.01711	0.9
61.98831	7.7
69.02950	0.6
69.03442	1.1
69.16950	0.7
69.56948	3.1
71.01383	28.2
72.99323	1.5
73.02947	5.4
74.50752	0.8
83.01395	3.6
83.05045	0.8
85.02948	8.8
87.00878	5.4
89.02449	21.7
95.01379	1.8
95.05030	0.8
96.96020	1.2
97.02976	1.0
97.06631	1.6
99.00887	1.7
99.04556	3.0
101.02449	19.5
101.03085	1.3
107.05077	2.2
113.02448	12.1
113.06049	0.8
119.03508	9.2
119.04169	0.9
119.08750	0.8
120.01352	0.8
120.05833	1.0
131.03531	1.5
135.04608	1.8
143.03531	1.6
149.02527	1.3
159.11836	0.7
161.04645	2.3
161.09708	6.0
161.13406	7.4
163.11360	0.9
179.04295	0.7
179.05739	3.4
185.12004	0.8
185.13516	1.6
187.11292	9.5
189.09282	2.1
197.11853	0.8
201.12677	2.3
203.10938	1.7
205.12350	15.5
206.12834	1.2
222.20387	0.7
223.13394	34.1
224.13887	1.5
229.12509	2.7
249.11313	18.4
249.15222	1.5
250.11760	1.1
251.16516	3.6
267.12408	27.6
267.15616	1.0
268.03714	5.4
268.12906	2.0
269.04523	8.0
291.12607	3.0
292.79239	0.8
308.20001	1.2
309.13281	4.6
325.20395	1.6
326.20892	1.0
339.14490	5.7
369.15540	24.7
370.16214	2.4
387.20612	0.9
411.20309	4.3
429.08615	8.9
429.21866	45.1
430.22449	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.72103	0.8
57.03449	1.8
59.01380	100.0
60.01711	1.0
61.98826	7.6
68.69241	1.0
71.01381	38.2
73.02953	3.4
78.94864	0.8
79.92413	0.8
83.01376	2.1
84.95138	1.6
85.02946	8.0
86.17137	0.9
87.00880	1.0
88.98835	1.4
89.02447	42.0
95.01378	3.2
96.95996	1.7
98.03699	0.9
99.00907	1.5
99.04537	4.7
101.02451	22.1
111.04515	1.1
113.02454	14.5
119.03497	18.6
125.02407	0.9
125.09673	1.0
131.03500	1.9
139.57098	0.8
143.03453	3.0
149.04582	1.7
161.04553	4.7
161.09688	1.3
161.13351	11.8
162.13611	0.9
179.05641	5.7
180.05812	0.9
187.11272	2.9
205.12341	39.1
206.12651	2.8
223.13350	2.9
249.11327	41.3
250.11655	1.9
251.16660	1.3
267.12305	2.0
269.04587	1.8
385.18530	1.2
429.08536	1.5
429.17227	11.3
429.21420	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72771	1.1
57.03446	1.9
59.01379	100.0
60.70069	0.7
61.98831	20.6
62.28528	0.7
63.40984	0.8
69.03448	3.6
69.61707	2.7
69.62058	0.7
71.01375	15.2
73.02936	3.4
77.09041	0.8
83.01381	2.1
85.02937	2.5
87.00870	3.2
89.02444	19.6
95.01362	0.9
97.06581	2.1
99.00820	0.9
101.02448	8.3
101.10552	0.9
107.05033	5.9
113.02445	8.0
119.03519	4.5
120.05815	2.3
135.04488	1.6
141.05579	1.2
143.03534	1.8
148.45142	0.7
161.04561	1.8
161.09750	5.1
161.13318	2.6
163.11301	0.9
179.05643	4.3
185.00890	2.9
187.11264	8.2
189.09186	2.3
203.10788	0.9
205.12340	2.3
207.10237	3.2
223.13385	36.5
224.13629	2.1
229.12241	1.4
249.11322	3.4
267.12378	40.2
268.12689	3.1
278.25064	0.9
291.12271	0.9
309.13501	1.4
369.15512	4.7
369.19427	0.9
429.17258	4.5
448.69598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95119	1.1
57.03444	3.3
59.01379	100.0
62.96429	1.1
65.51029	1.1
69.00386	1.2
69.12186	2.4
69.12550	7.2
71.01376	15.5
73.02955	3.2
73.91603	1.1
78.19810	1.3
83.01397	1.3
85.02943	3.9
87.00891	5.8
89.02438	15.5
95.01376	2.1
97.06599	5.1
98.21953	2.5
101.02439	10.4
107.05025	13.8
113.02453	8.9
119.03502	4.9
120.05843	3.0
128.96834	1.3
131.03513	1.6
135.04533	5.1
143.03470	1.3
159.08141	1.6
161.04575	3.4
161.09709	10.1
161.13390	4.7
163.11281	2.0
179.05560	3.3
181.15779	1.1
185.13280	1.5
187.11256	14.3
189.09236	3.4
203.10779	2.4
205.12349	8.2
207.10283	3.6
223.13408	67.1
224.13754	4.1
229.12361	2.4
245.07707	1.3
249.11296	9.3
267.12378	66.6
268.12720	3.3
309.13724	2.0
369.15289	2.5
429.17209	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
58.00606	0.6
59.01379	100.0
60.01714	0.6
63.91901	0.5
71.01382	36.6
72.99323	1.2
73.02944	3.3
81.07122	0.5
83.01396	1.4
85.02940	5.5
87.00906	1.5
89.02444	36.2
95.01366	3.2
98.03755	0.8
99.00910	1.1
99.04523	27.5
100.04884	0.6
101.02445	18.6
113.02447	12.7
113.57689	0.6
119.03507	16.2
131.03551	1.5
136.84415	0.5
143.03491	3.4
149.04584	1.4
149.09692	0.7
151.03990	0.7
161.04575	4.1
161.13376	8.2
161.14610	0.9
179.05617	6.1
187.11302	1.2
205.12323	21.8
206.12709	1.2
223.13435	2.2
249.11316	20.5
250.11774	1.4
257.65643	0.5
267.12549	1.3
297.13672	1.7
347.42227	0.5
369.15610	0.7
411.20349	1.4
429.17526	5.6
429.22604	7.5
430.17633	0.8
440.19180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09286	1.1
64.20470	1.1
67.58962	1.1
69.32751	1.1
71.01371	11.6
71.20436	1.1
72.02171	1.0
77.86387	1.1
84.93862	3.7
99.92584	31.6
100.93359	53.9
101.81402	1.3
101.93388	1.8
115.92070	89.7
116.92149	4.0
116.92854	100.0
117.92853	3.6
119.80800	1.2
126.94947	1.8
131.38992	1.2
144.96217	1.2
154.94443	8.5
172.93993	2.7
172.95453	40.0
173.95490	1.4
186.51828	1.2
255.23193	5.5
372.30746	1.3
429.19342	10.2
430.20078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60746	0.9
84.93876	0.4
90.09713	0.3
93.57703	0.2
97.52542	0.2
99.00865	0.2
99.92577	6.2
100.93359	53.0
101.93368	2.7
115.92072	100.0
116.92080	4.5
116.92866	7.3
117.92498	0.2
132.92342	1.1
142.94408	0.6
154.94397	0.3
155.95193	0.5
160.12512	0.2
172.95457	9.5
173.95563	0.3
247.40584	0.3
255.23285	1.4
264.02917	0.3
355.15872	1.0
356.16467	0.3
371.15234	0.4
381.17337	1.4
429.19485	9.4
430.19513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
53.60910	0.5
55.01879	1.2
57.03452	2.8
59.01377	100.0
59.36396	0.5
60.01712	0.8
61.98833	1.6
63.89285	0.4
67.01862	0.5
69.03454	2.0
71.01379	24.7
72.99319	0.7
73.02937	11.9
83.01380	3.7
83.04994	0.5
83.92799	0.4
85.02949	9.0
87.00880	2.4
87.27844	0.5
89.02440	12.7
95.01394	2.0
97.02942	0.8
99.00901	1.4
99.04525	0.7
101.02439	17.4
105.01953	1.0
113.02441	10.8
114.05696	0.5
119.03494	4.0
125.02480	1.1
127.00407	0.6
129.01968	0.5
130.08676	0.4
131.03514	0.7
134.03763	0.5
135.04527	0.8
137.09737	0.9
143.03523	1.6
147.06653	1.2
148.07007	0.6
149.04576	0.7
151.07678	0.6
152.08450	0.8
153.12823	0.8
158.14146	0.5
159.02957	0.5
161.04550	2.4
163.11337	0.5
179.05556	0.7
181.12299	0.5
195.13773	0.9
197.15520	1.2
201.12630	0.5
205.12306	0.5
207.13945	2.1
223.13588	0.8
225.14929	8.7
241.90674	0.4
249.11443	0.6
267.12338	0.8
305.81610	0.5
369.19141	27.0
370.19540	2.2
386.19464	0.4
387.20212	41.5
388.20584	3.3
400.02802	0.5
429.21487	18.3
430.21762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03452	1.2
59.01382	100.0
60.01717	1.1
61.98826	0.5
62.59742	0.4
69.84869	0.4
70.61472	0.6
71.01385	11.9
73.02958	1.5
82.08816	0.4
83.01408	0.8
85.02966	1.7
87.00906	1.8
89.02454	14.9
90.37080	0.5
95.01396	0.5
96.95251	0.4
96.96038	0.6
99.04546	0.5
101.02451	6.4
105.63587	0.4
107.05048	1.4
113.02445	4.8
117.05719	0.4
119.03514	4.8
120.05824	0.8
135.04491	0.6
141.01712	1.0
143.03561	1.2
159.11813	0.9
161.04596	1.9
161.09717	3.4
161.13394	2.9
179.05617	2.3
185.13399	0.6
187.11311	4.3
189.09286	1.2
195.51494	0.4
201.12527	0.8
203.10791	1.1
205.12283	2.6
207.10387	0.6
223.13416	16.1
224.13828	0.9
229.12445	1.5
249.11288	2.6
267.12390	11.0
267.15045	0.7
268.12732	0.6
278.90869	0.5
284.05975	0.5
291.12436	0.8
309.13516	2.6
339.14502	2.4
369.15570	10.8
369.19949	0.8
370.16025	0.6
429.17230	4.1
433.93878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27961	0.4
57.03464	0.6
59.01382	100.0
60.01719	0.9
61.79371	0.3
61.98836	1.0
69.03458	0.5
69.46544	1.7
71.01384	10.4
72.99304	0.4
73.02952	4.6
83.01412	1.2
85.02958	2.7
87.00891	0.6
89.02449	14.2
95.01378	0.6
97.02960	0.4
98.22559	0.8
101.02454	7.4
111.75057	0.4
113.02454	5.3
119.03501	5.2
120.23216	0.4
131.03520	0.6
137.09729	1.0
139.11563	0.4
143.03528	1.5
149.04536	0.6
161.04581	2.1
161.09753	0.8
168.21991	0.5
179.05646	3.0
187.11305	0.8
223.13435	4.0
267.12399	2.6
369.15335	1.2
369.19400	1.8
387.20303	1.5
405.95090	0.5
429.17334	1.4
429.21982	1.1
433.17761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Celerioside A
Peak:m/z	Relative Intensity
55.01862	0.8
57.03437	1.6
59.01379	54.1
61.98828	1.6
66.55849	0.6
66.93036	0.6
69.98283	1.4
71.01380	22.9
72.99273	0.9
73.02921	1.7
76.10936	0.5
83.01382	1.7
85.02949	5.1
87.00877	0.9
89.02445	19.2
95.01390	1.8
96.95972	0.6
98.22578	0.8
99.00902	0.9
99.92582	0.7
101.02444	14.6
104.03545	1.4
113.02447	7.5
116.92857	1.9
119.03493	8.2
122.78485	0.6
135.11807	2.3
152.12691	0.5
153.09296	0.6
158.41615	0.7
179.03584	0.6
179.05527	0.8
179.10779	14.2
180.31535	0.6
184.76259	0.6
205.16008	0.6
209.11916	1.0
249.14928	6.8
267.15961	12.3
268.16360	1.1
284.03378	0.7
287.00012	0.6
307.19067	0.8
308.19388	1.2
325.20340	1.0
326.20486	1.2
337.36630	0.6
384.26364	0.7
429.21255	100.0
430.21652	9.8
432.61105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21432	0.4
56.73449	0.4
57.03444	0.4
59.01381	100.0
60.01708	0.7
61.98833	1.5
69.03460	0.8
69.46485	1.0
69.46892	0.8
71.01383	17.9
72.99317	0.6
73.02952	0.9
83.01389	0.9
85.02942	1.9
87.00880	0.8
89.02448	29.0
90.02810	0.6
95.01424	0.9
101.02451	10.0
101.03098	0.6
107.05030	0.7
113.02449	8.5
119.03512	11.4
125.29739	0.4
131.02466	0.4
131.03523	1.3
143.03532	2.3
149.04605	1.4
161.04573	2.2
179.05612	7.3
185.00882	0.6
187.11287	0.5
189.12859	0.7
198.07072	0.4
205.12383	0.5
218.48228	0.4
223.13420	3.1
249.11406	0.7
267.12381	3.2
309.99445	0.4
429.21255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01871	1.1
59.01376	100.0
60.01703	1.0
66.28701	0.5
69.03457	4.1
69.21998	0.6
69.45459	2.2
71.01379	15.5
73.02951	2.3
80.46608	0.6
83.01388	1.3
85.02943	7.2
89.02441	16.1
90.77283	0.6
92.77796	0.5
95.01398	1.5
99.00922	0.9
101.02428	8.1
113.02446	14.1
114.03230	2.7
119.03500	8.0
127.06385	0.6
131.03476	0.9
134.77484	0.6
137.09708	2.0
143.03499	1.8
149.04680	0.7
161.04559	2.0
179.05594	5.2
198.85530	0.6
205.12259	0.9
207.17447	0.7
223.13455	0.6
249.11272	1.7
251.16431	3.1
267.15955	0.8
340.05878	0.8
372.78445	0.6
429.21313	47.2
430.21765	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01700	0.7
61.98815	1.3
64.92480	0.6
69.64693	1.9
72.50515	0.5
89.02450	0.7
90.60857	0.6
91.04018	1.5
96.96016	2.7
98.22596	0.7
99.92589	0.6
100.13277	0.6
118.90014	0.8
124.12737	0.5
145.00595	0.6
195.13899	1.2
207.05376	0.6
295.22778	11.1
295.26123	0.8
296.23135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.1
61.98828	100.0
63.26134	2.7
63.67484	2.4
68.23156	2.4
69.52477	10.0
73.83276	2.7
98.22617	4.9
99.92582	8.0
100.92616	2.8
103.92017	2.7
105.87852	2.9
116.92855	6.9
198.01189	2.6
213.55524	2.8
227.12834	2.8
263.10715	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.6
68.47324	0.4
71.40897	0.3
72.00885	0.4
82.06603	0.3
82.82599	0.4
84.37995	0.3
85.79362	0.4
89.02448	0.3
90.97143	0.5
108.02190	0.4
110.02470	0.4
117.00478	0.7
128.07147	0.4
130.08739	100.0
131.09084	2.4
132.98212	1.4
137.03549	0.5
141.98230	0.7
145.09760	0.3
159.01585	0.5
160.97656	0.6
174.94624	0.4
174.99265	4.7
187.98770	0.6
201.02527	3.5
205.67595	0.4
213.05460	0.4
217.00294	14.4
228.07327	0.7
230.08821	2.0
244.04999	2.6
246.06636	1.2
272.09900	13.4
273.10071	1.1
288.07645	59.8
289.08072	2.1
300.12787	0.5
368.93088	0.4
429.25128	0.5
430.08960	11.0
430.22278	32.1
431.09570	1.1
431.22720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.0
61.98830	27.8
94.92524	3.9
96.41294	2.2
96.41945	2.5
96.96003	46.8
97.93137	2.2
99.92587	100.0
100.92586	5.1
100.93338	4.9
105.78735	1.9
115.92069	19.0
116.92845	24.6
118.89979	73.1
119.89987	6.4
119.90762	4.9
120.89659	13.8
134.89465	31.3
135.89401	2.5
135.90257	22.2
137.02434	2.1
141.93565	3.0
162.91246	2.2
260.51520	2.9
305.04932	12.6
323.05875	24.5
324.05978	4.2
341.02481	4.6
345.04623	2.4
374.12064	3.0
376.13287	9.1
394.14496	41.0
395.14609	5.1
430.12082	29.2
431.12521	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01701	5.2
61.60067	3.6
61.98822	14.2
69.43410	10.7
69.43816	6.7
71.01381	47.6
73.02958	19.4
83.01390	7.4
85.02955	25.8
87.00859	7.4
87.01424	4.1
89.02437	31.4
98.21903	6.0
101.02452	44.1
102.48444	3.9
111.33624	3.9
113.02446	27.9
119.03505	13.0
134.03662	6.9
159.02979	3.7
160.01591	4.9
161.04526	30.6
167.97444	3.5
175.04008	5.7
179.05725	4.9
186.49335	4.0
197.89777	4.0
376.66522	4.5
387.20227	85.7
388.20523	6.8
430.18085	14.8
431.18903	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55175	2.7
52.97802	2.7
58.52832	3.1
58.72190	2.8
59.01379	100.0
64.25813	2.9
69.41750	14.6
71.01380	46.7
77.98106	2.7
85.02966	8.8
85.14645	2.8
87.00872	3.0
88.67373	2.8
89.02441	76.2
89.02941	5.5
95.01405	5.5
101.02438	23.5
113.02440	27.1
119.03514	28.0
119.77225	2.8
142.22893	2.8
143.03522	6.1
149.04451	3.1
153.42143	3.4
161.04567	11.6
167.55858	3.4
179.05638	33.6
222.57249	3.1
311.26050	3.4
387.20087	11.3
431.18927	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01719	2.3
61.98814	5.1
69.03464	2.3
69.58997	6.4
71.01386	32.8
73.02946	2.6
85.02951	7.2
87.00872	4.1
89.02452	45.1
101.02439	21.2
109.24130	2.6
113.02458	15.9
117.03447	2.9
119.03482	20.9
143.03404	5.5
147.06639	7.5
148.06927	5.9
149.07059	3.1
161.04567	6.6
179.05608	15.5
268.32690	2.2
269.04626	4.1
281.04440	3.1
283.06119	21.6
295.06097	2.3
301.33862	2.5
311.05624	30.8
317.94058	2.4
341.06656	12.3
430.17685	4.2
431.09952	18.8
431.23254	2.6
434.40527	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	4.9
59.01382	100.0
61.98830	78.4
65.79134	4.9
69.51897	14.0
69.52287	8.9
71.01376	20.5
73.02938	10.5
73.57852	5.2
85.02975	6.9
89.02457	15.7
95.01369	6.3
101.02430	23.4
113.02416	9.0
119.03467	6.9
126.85164	5.3
161.04565	6.1
165.98996	5.5
175.11630	5.3
268.03760	11.5
269.04526	7.6
327.08853	6.9
327.21710	11.1
345.19174	7.1
387.14523	19.9
387.19577	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09157	4.4
79.95734	5.7
80.96535	2.1
89.98098	0.6
97.80206	0.8
147.55603	0.6
147.73393	0.7
155.71472	0.8
221.06033	0.8
222.06847	1.3
233.06096	0.8
246.06934	0.7
249.05556	14.4
250.05946	1.0
253.56512	0.7
255.46571	0.9
261.05527	0.9
263.07156	2.7
265.04956	1.2
275.07050	1.3
276.04361	0.8
277.05023	17.6
277.08011	1.1
278.05362	1.8
291.06631	4.9
292.07416	2.0
293.04553	9.5
294.04944	0.9
303.02872	1.5
307.06287	1.0
320.03223	7.6
321.03992	15.1
322.04401	1.7
335.05597	30.1
335.09641	1.5
336.06326	34.9
337.06729	2.6
351.08716	100.0
352.09061	9.8
431.04373	66.6
432.04688	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01113	0.5
59.01376	5.7
61.98835	0.3
63.36296	0.3
65.00311	0.8
69.88911	0.7
69.89274	0.6
71.01371	2.7
73.02946	0.7
73.13243	0.3
77.03963	2.2
79.01893	1.4
83.01409	0.3
85.02948	0.7
89.02440	1.9
89.03970	0.4
92.52526	0.3
93.03443	2.7
95.01397	0.6
101.02440	1.7
105.03452	0.7
107.01358	0.5
113.02445	1.1
116.92866	0.3
117.02628	0.7
117.03460	11.2
118.03755	0.4
119.03479	0.9
119.05018	1.3
121.02956	2.6
124.83781	0.3
125.02395	0.4
131.01418	0.4
135.00906	0.3
135.04535	1.9
137.02477	0.3
147.04521	0.7
148.01810	0.4
149.02428	0.8
151.00362	0.6
159.04509	2.4
161.02431	5.9
161.04526	0.5
163.00320	1.4
163.03998	2.7
165.01987	2.2
171.04539	0.5
173.06104	0.5
175.00316	0.7
175.03979	0.7
177.01880	0.4
182.03683	0.5
183.04478	1.5
183.08153	1.1
189.01920	0.5
191.03394	0.7
195.08151	0.4
196.05255	0.6
197.06044	1.5
205.01485	0.3
209.06064	0.6
210.06888	0.4
211.07672	1.1
224.04854	1.6
225.05537	0.7
227.03496	0.6
231.97997	0.3
237.05542	1.1
238.06296	0.8
239.07124	3.4
241.05070	0.4
249.42139	0.3
251.07083	0.4
253.05090	1.5
254.05847	0.9
255.06487	0.4
265.05057	0.6
267.06683	0.5
268.03778	2.7
269.04547	9.0
270.04837	0.5
279.06601	0.5
281.04544	13.3
282.05276	11.1
283.06104	65.3
284.06497	4.4
293.04553	2.5
295.06113	7.7
296.06339	0.8
305.04797	0.3
308.03220	1.4
309.04037	1.7
311.05597	100.0
312.05927	7.9
314.04388	1.1
321.03839	0.5
323.05594	11.6
324.05954	0.8
325.07281	0.7
337.07172	0.4
341.06631	35.5
342.07010	2.7
353.06616	2.4
355.07999	0.6
371.07791	0.5
383.07776	0.8
389.21918	0.3
395.07639	0.5
413.08783	3.4
414.09314	0.5
430.08078	0.3
431.09805	69.9
432.10141	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37845	0.2
59.01378	4.4
61.01791	0.2
61.98832	1.0
63.02390	0.7
65.00343	0.5
69.62688	0.7
71.01367	0.5
73.02946	0.2
73.97337	0.2
76.09494	0.2
82.95391	0.5
83.01387	0.8
87.00864	0.3
89.02441	0.6
96.96006	0.2
101.02435	0.3
107.01386	1.9
113.02432	0.3
117.03464	1.6
119.03464	0.2
121.02962	0.4
141.01717	0.2
148.01649	0.5
149.02429	1.4
149.99551	0.6
151.00363	3.1
159.04494	0.4
167.04890	0.2
168.05803	0.3
171.04483	0.9
172.05290	0.8
177.63069	0.2
183.04485	0.3
184.05263	0.3
195.04547	0.6
196.05316	1.0
199.03969	0.3
200.04805	0.9
201.05574	0.5
211.04021	1.6
212.04759	1.1
224.04837	0.3
225.05579	0.4
227.03481	0.4
239.03494	3.7
240.04266	4.3
241.04726	0.4
267.02936	1.8
268.03760	100.0
269.04459	29.0
270.04922	1.4
281.04428	0.3
283.05960	0.5
311.05524	1.0
431.09808	81.5
432.10126	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
54.43879	1.2
59.01378	25.6
61.88150	1.2
69.33403	1.2
71.01377	8.8
73.02927	2.0
79.01912	1.8
85.02963	3.0
89.02435	7.3
92.94455	1.2
93.03464	2.1
99.04494	6.8
101.02430	4.8
101.16241	1.3
107.01417	1.4
113.02455	3.8
117.03460	15.5
119.03484	1.8
121.02943	2.2
135.04547	2.4
149.02383	2.8
151.00386	1.9
159.04538	2.4
161.02419	7.6
163.00351	6.5
163.03996	3.0
164.51218	1.3
165.01904	1.2
183.04491	1.8
189.01884	1.3
197.05981	1.6
207.12039	1.3
207.13768	6.0
211.07605	1.5
225.05528	1.4
236.14381	1.6
237.05670	2.0
239.07120	3.3
251.12859	18.0
253.04904	4.6
268.03671	7.6
269.01816	1.6
269.04556	22.7
269.13959	1.6
270.04877	2.2
281.04544	51.3
282.05307	40.3
283.02884	2.0
283.06085	38.0
284.06451	2.9
293.04584	2.4
295.06149	6.8
297.04010	7.7
304.68073	1.4
307.06140	1.6
308.03183	8.9
309.04034	31.9
310.04660	8.9
311.05600	100.0
312.05905	8.8
314.04358	3.0
321.04025	3.4
323.05484	11.1
325.03506	1.5
327.05130	34.4
328.05383	2.7
334.64459	1.3
341.06677	25.8
342.06989	1.7
377.06555	1.9
395.07693	21.6
396.08261	2.2
413.08759	70.6
414.09042	8.0
431.09888	32.0
431.17996	7.5
431.23178	5.3
432.09976	3.8
432.19730	1.5
447.45331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
54.71873	0.8
55.01875	1.2
56.69413	0.7
57.03432	1.5
59.01379	100.0
60.01721	1.1
61.98839	6.6
69.03455	1.3
71.01382	30.3
71.15394	1.2
72.99326	0.9
73.02946	10.7
78.85242	0.9
82.95445	1.3
83.01382	2.9
85.02952	11.1
87.00865	2.5
88.04035	0.8
89.02446	24.2
95.01389	2.6
97.02953	0.8
99.00888	23.5
99.01523	1.2
101.02449	18.4
107.05011	1.0
108.04548	1.3
113.02441	15.5
119.03539	7.7
119.05029	7.9
125.02449	1.6
131.03497	3.8
137.06065	1.5
143.03482	2.0
149.02480	5.0
149.04543	8.3
159.02937	0.9
161.02470	1.9
161.04573	9.3
164.04797	6.8
168.07896	0.9
179.03493	3.6
179.05658	2.1
179.07108	2.3
184.23007	0.8
191.05617	8.3
194.05891	3.9
208.03786	1.1
209.08151	11.9
223.06126	13.4
224.06314	0.9
233.06659	1.1
269.10413	5.8
270.10370	0.9
299.11365	6.0
300.89752	1.1
310.08270	0.9
381.93134	0.8
385.11484	1.4
431.15540	39.0
432.15891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.171
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
53.84080	0.7
54.17084	0.9
59.01382	100.0
61.98841	3.8
70.67388	1.3
99.92621	0.9
108.02226	0.8
109.02929	1.3
121.02925	1.0
121.89732	0.7
123.04520	0.8
123.68941	1.0
125.38409	0.7
135.04539	1.0
136.01672	0.9
137.02512	1.5
151.04012	5.0
162.03259	3.1
163.04013	1.1
173.06221	0.9
175.04063	3.6
176.04791	2.0
177.05513	1.3
180.04295	1.5
188.04787	6.0
189.05545	1.2
194.05882	0.7
195.06680	1.3
206.05858	6.5
258.42111	0.7
268.03748	1.7
283.09723	4.2
288.19693	0.9
311.09268	5.2
313.10684	1.3
326.11630	1.3
329.10089	1.1
341.10324	21.2
341.13940	1.4
342.10629	2.1
356.12628	2.8
371.15063	4.7
389.16125	5.1
401.12369	11.0
402.12723	1.1
416.14816	19.5
417.15036	1.7
431.17099	50.4
431.22327	1.9
432.17468	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.55202	0.5
57.03424	0.8
59.01379	100.0
60.01714	1.0
61.98836	2.0
65.79534	0.5
69.58316	1.9
69.58681	0.9
71.01379	16.9
71.21956	0.5
73.02945	28.9
74.02482	0.7
74.03297	0.6
77.46408	0.4
83.01418	1.8
85.02950	6.7
87.00879	0.9
89.02442	12.1
93.27162	0.5
95.01439	1.4
98.03794	0.4
99.00917	0.5
99.04516	9.3
101.02441	8.9
111.00909	0.4
111.04546	0.8
113.02451	6.9
116.92916	0.5
119.03468	4.2
120.51301	0.5
121.06628	0.8
131.03613	0.6
134.03778	0.5
143.03604	0.8
159.03102	0.6
161.04538	3.7
165.12999	0.9
166.60126	0.5
173.04715	0.6
179.05762	1.1
187.11324	0.6
189.13057	2.1
207.13899	9.2
208.14555	0.8
209.12024	0.9
209.15695	0.6
225.05388	0.6
251.12891	29.0
252.11299	0.5
252.13228	2.3
253.18341	1.0
269.14017	0.9
272.08932	0.5
347.71161	0.6
371.16684	0.9
371.20694	3.7
431.10971	0.9
431.19489	5.1
431.23895	23.3
432.24420	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01890	0.6
56.45793	0.6
57.02130	0.6
57.03440	1.5
59.01382	55.9
60.01694	0.8
61.98830	4.2
64.71775	0.5
70.29417	1.2
71.01383	23.5
72.99311	1.1
73.02947	10.3
74.02441	0.7
79.95729	1.6
80.96527	1.3
83.01385	2.0
84.13502	0.6
85.02949	6.4
87.00886	1.1
87.67577	0.6
89.01929	1.2
89.02449	19.9
93.03451	2.1
95.01388	1.2
96.95982	3.0
97.04050	0.7
97.89905	0.6
99.00831	0.7
101.02440	14.2
104.03577	1.1
111.00871	0.7
113.02448	7.0
119.03503	7.5
125.03553	0.9
129.01930	0.6
131.03569	0.7
137.02425	0.7
141.09186	0.7
143.03477	1.0
149.04593	0.7
155.10771	1.0
160.00690	0.8
161.04541	0.7
163.11292	1.2
171.10405	0.8
173.04549	1.8
179.05557	1.1
181.12346	32.3
182.12675	1.0
183.13873	1.1
191.05652	0.8
225.05110	1.7
226.50584	0.6
229.98770	0.6
251.16512	27.5
252.16917	1.5
253.04652	3.2
253.18015	1.8
268.03705	3.3
269.04401	1.7
269.17584	1.4
277.18008	1.0
305.04474	0.6
344.09973	0.7
351.21799	1.0
431.11035	3.5
431.17545	6.9
431.22809	100.0
432.17999	0.7
432.23251	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93922	0.6
55.01884	1.0
55.08604	0.5
57.03445	1.0
59.01376	100.0
60.01706	1.3
61.98829	3.1
68.64346	0.6
71.01376	14.6
72.99352	0.6
73.02943	40.1
83.01406	1.9
84.92098	0.5
85.02943	5.9
87.42030	0.6
88.98798	1.3
89.02442	9.8
89.02950	1.0
93.03473	0.8
95.01376	0.9
99.00891	1.5
99.04507	4.5
101.02439	9.3
113.02441	6.4
117.03462	4.6
119.03503	2.7
119.05011	0.8
125.03567	0.6
143.03523	0.7
151.00397	0.7
159.03064	0.6
161.02486	1.7
161.04526	3.3
163.00410	1.6
163.04073	0.7
179.05620	0.8
183.07973	0.7
189.12798	0.6
207.13907	3.1
209.15515	1.2
213.05499	0.5
225.05399	1.1
239.07173	0.8
251.12895	13.2
253.04906	2.2
253.18163	1.5
254.05714	0.9
255.03145	0.9
268.03952	2.6
269.04453	5.2
269.14059	0.9
281.04553	10.9
282.05273	7.7
283.06033	10.2
284.03302	1.1
295.06232	2.2
297.04202	2.1
308.03528	1.6
309.04019	6.8
310.04987	1.3
311.05585	24.0
312.06125	1.7
321.04144	0.9
323.05594	2.9
327.05151	6.5
328.05655	0.7
341.06702	6.6
341.10519	0.9
371.20718	4.1
395.07819	4.6
413.08749	13.3
413.13873	0.8
414.09137	1.4
431.10013	11.7
431.23099	39.6
432.23212	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01729	0.6
61.41914	0.3
61.98846	0.5
68.94491	0.3
69.45844	1.4
71.01381	5.4
73.02952	0.7
74.74162	0.3
78.68129	0.3
81.88449	0.3
85.02943	1.1
89.02443	7.1
95.01385	0.4
101.02445	3.0
101.05998	0.3
113.02463	2.1
119.03506	2.7
131.03543	0.6
143.03539	0.4
161.04588	1.0
179.05605	1.8
248.26990	0.3
260.46072	0.3
431.23083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01729	0.6
61.41914	0.3
61.98846	0.5
68.94491	0.3
69.45844	1.4
71.01381	5.4
73.02952	0.7
74.74162	0.3
78.68129	0.3
81.88449	0.3
85.02943	1.1
89.02443	7.1
95.01385	0.4
101.02445	3.0
101.05998	0.3
113.02463	2.1
119.03506	2.7
131.03543	0.6
143.03539	0.4
161.04588	1.0
179.05605	1.8
248.26990	0.3
260.46072	0.3
431.23083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14632	0.3
51.52839	0.3
52.95139	0.3
54.58206	0.3
57.03441	0.5
59.01378	34.3
59.23027	0.3
60.01708	1.7
61.98830	100.0
62.98530	0.2
71.01382	4.7
71.44523	0.3
72.99291	0.2
73.02943	5.8
73.42429	0.3
75.15585	0.3
78.52853	0.3
83.01390	1.6
84.29949	0.4
85.02966	1.2
87.00880	0.4
89.02457	2.6
95.01402	0.6
96.96027	0.5
101.02437	5.4
108.01536	0.3
110.02487	0.3
113.02432	2.4
114.05660	0.3
119.03506	1.5
119.99115	0.3
120.57798	0.2
123.98280	0.3
130.56631	0.3
131.03525	0.7
143.03500	0.7
149.04593	0.8
159.03006	0.4
161.04581	2.3
170.47517	0.3
179.05701	0.4
211.13466	0.6
221.06647	0.3
229.14516	0.8
283.05969	0.4
284.06497	0.3
312.06036	0.5
391.20084	0.6
407.51257	0.4
432.10132	0.4
433.20825	1.7
433.25430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	9.3
59.01380	10.4
61.32904	0.8
61.98823	1.7
70.50830	0.9
70.51150	0.7
71.01374	3.0
72.00884	1.0
74.02472	19.8
82.02973	2.9
84.04569	1.2
85.02950	0.9
86.02473	7.9
86.06112	1.3
86.99106	1.3
87.05643	4.5
88.04050	1.0
89.02467	1.3
90.00176	1.4
95.02499	0.9
97.04063	2.6
99.05645	18.8
101.02419	1.1
101.07207	3.5
102.05597	3.0
109.04064	2.9
109.07693	1.6
111.05629	1.6
112.04050	2.1
113.02457	1.3
116.01733	1.6
117.56824	0.7
119.03461	0.8
123.05645	1.8
125.03556	1.7
127.05119	4.9
128.03539	53.0
129.03896	0.9
135.05647	5.8
141.06706	4.6
143.04622	66.2
144.04955	1.8
145.06198	3.7
146.04610	6.6
153.06670	4.6
155.08214	1.6
160.00735	19.3
166.09853	3.1
167.04561	3.5
167.08266	2.9
177.03395	7.0
179.04590	15.0
180.05107	1.0
181.06169	2.3
185.05684	2.3
187.82649	0.8
192.07791	1.9
197.05710	2.0
205.75964	0.8
210.08844	13.2
218.57176	0.8
242.07904	1.0
253.78357	0.7
254.07813	20.7
255.07916	0.9
265.81912	0.7
272.08862	33.9
277.24857	0.7
288.06616	13.3
306.07642	100.0
307.07941	5.4
432.18024	9.7
456.21155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17074	0.2
59.01378	32.9
60.01715	1.5
60.34408	0.3
61.98829	100.0
69.25736	0.9
71.01379	1.8
73.02930	0.3
75.53046	0.2
85.02981	0.3
89.02441	1.2
90.02839	0.3
101.02437	0.8
113.02464	0.3
119.03494	0.8
161.04472	0.5
174.01595	0.4
179.05630	0.4
191.05530	0.3
212.34851	0.3
218.35101	0.2
238.18637	0.2
312.05707	0.4
328.05310	0.4
358.06143	0.5
359.20352	0.5
373.18329	0.5
399.44330	0.3
401.14441	0.4
432.09579	1.0
433.23892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99464	24.9
57.86064	22.4
59.01339	28.1
69.35275	92.8
71.04292	21.1
84.78327	23.2
98.47408	28.8
144.49820	23.9
162.53581	28.0
166.99573	26.0
433.24484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	5.1
59.01377	100.0
61.98818	7.9
64.91904	3.0
69.29992	13.1
69.30402	7.8
71.01380	61.7
73.02956	3.8
85.02945	8.9
85.88898	3.5
87.00915	4.1
89.02447	70.9
90.02729	3.9
98.22675	4.4
101.02444	29.2
113.02460	26.7
119.03496	37.6
143.03493	7.2
149.04590	4.4
161.04535	15.3
179.05582	25.2
258.82626	3.7
271.19107	6.7
433.19568	5.0
433.25275	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95983	1.3
59.01369	3.9
61.98829	100.0
69.57198	2.8
69.57568	4.7
72.62429	1.4
73.99014	1.4
74.47336	1.4
78.95904	2.3
116.92905	2.1
132.93555	1.4
145.03041	2.1
152.99641	4.2
157.50964	1.6
228.88716	1.5
276.38855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44466	1.4
57.03436	1.4
59.01377	65.7
59.44454	1.2
60.01724	1.3
61.98829	23.4
68.99826	1.6
70.42796	2.0
70.43116	1.8
71.01389	10.2
72.99306	1.6
73.02946	3.8
83.01357	1.7
85.02946	4.6
88.98797	2.3
89.02459	7.3
93.59859	1.3
95.01405	1.9
96.95995	4.8
101.02441	8.2
113.02443	5.1
113.81130	1.6
119.03491	1.9
121.02946	2.9
124.01662	1.7
125.02402	1.2
130.08734	2.2
136.11063	1.4
137.02415	3.0
138.03241	4.6
139.03963	1.7
151.00363	1.5
151.04005	4.8
153.01866	1.6
153.05540	3.8
161.02414	3.1
161.04509	2.3
162.03224	5.2
163.04025	9.3
165.01895	3.3
166.06396	1.9
168.04303	2.7
175.04019	3.3
176.01196	2.0
176.04761	3.8
177.01901	3.8
177.05501	4.9
179.03468	2.5
180.04179	2.2
190.06340	2.0
191.07091	1.8
192.04248	3.1
193.01318	2.2
193.04961	2.2
194.05794	4.3
195.06544	1.6
197.11838	5.5
205.08739	1.8
207.06580	6.2
208.03810	3.0
208.07445	2.3
209.08197	6.7
210.12216	1.7
223.06100	8.6
224.06866	3.8
271.06073	3.8
272.06976	2.4
274.05164	2.7
287.05731	3.0
288.06680	22.6
289.07019	2.1
299.05637	1.3
301.07391	1.6
302.04504	3.2
315.05356	7.2
316.06122	20.5
317.06491	2.8
318.04230	2.3
329.10168	4.2
330.04254	1.6
330.07797	2.4
331.04993	2.3
331.08466	12.8
332.05374	2.5
332.08975	2.8
344.05573	2.8
344.12552	2.2
345.06357	4.0
346.07126	2.6
348.05270	1.7
359.04358	6.1
359.14719	2.7
360.05127	10.8
360.08908	2.6
373.21951	2.8
374.06659	14.0
375.07382	14.5
389.08585	2.4
389.16165	17.5
390.09821	58.4
391.10165	4.7
433.10321	100.0
433.14734	4.9
433.24338	10.6
434.10532	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Naringenin 4'-O-glucoside
Peak:m/z	Relative Intensity
57.03379	0.9
59.01276	33.3
60.01627	0.5
61.98725	10.4
61.99088	2.1
63.02297	1.5
63.02613	0.5
65.00223	4.5
69.03394	0.5
71.01276	16.9
71.01717	2.5
71.44455	0.5
72.99213	0.8
73.02836	4.3
76.67159	0.5
82.12456	0.6
83.01277	4.3
85.02832	5.7
86.39697	0.5
87.00790	0.7
89.02331	14.1
89.02930	1.2
93.03339	6.4
95.01251	1.5
99.00752	1.4
101.02324	10.0
101.03027	0.5
102.84941	0.5
107.01391	10.8
108.02130	0.7
113.02450	6.8
115.11848	0.5
119.03378	5.7
119.05022	32.5
119.05805	1.5
120.05278	1.0
121.02872	0.5
125.02345	1.7
136.01630	0.7
143.03392	1.3
149.04512	0.6
151.00371	38.8
152.00674	0.8
161.04578	2.4
164.01053	0.7
165.01813	2.0
169.01375	1.2
175.00247	1.3
177.01935	4.2
179.05490	1.7
189.05080	0.5
191.05539	2.1
193.01343	1.2
197.11795	1.0
224.04648	0.5
227.07088	0.8
253.04950	0.7
253.14465	0.6
271.06110	100.0
271.19101	2.1
272.06433	7.8
281.79007	0.5
295.06079	1.1
313.07074	1.5
332.60486	0.7
373.18866	1.2
391.19980	1.0
433.11597	1.8
433.24741	23.5
434.24936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Robustaside D
Peak:m/z	Relative Intensity
54.10896	0.8
55.01869	0.9
56.99803	0.9
57.03444	3.1
59.01382	68.6
60.01707	1.6
61.98823	3.2
63.02393	1.3
65.00333	1.5
65.37225	0.9
69.03452	0.8
69.22509	5.2
71.01387	33.8
71.05022	1.0
72.02176	0.8
72.99306	2.6
73.02946	6.3
73.03796	0.7
75.00892	1.2
83.01398	5.2
83.05014	2.3
85.02948	10.6
87.00881	3.4
87.04486	2.0
89.02444	24.8
90.02802	1.1
93.03487	1.6
95.01410	4.1
96.96014	2.8
97.06629	0.9
99.00878	3.0
101.02448	19.0
101.33037	0.9
107.01408	3.0
108.02190	3.5
109.02962	11.8
109.06601	0.9
111.00804	1.0
113.02452	11.6
115.03970	1.5
115.92062	1.1
116.92880	1.1
117.03484	1.2
119.03516	13.5
119.05003	8.0
125.02464	1.7
125.09721	0.9
127.07687	0.9
130.08701	0.9
132.02257	1.2
133.02963	30.4
134.03717	1.1
135.04532	12.4
137.02499	0.9
143.03523	2.9
149.04539	1.1
151.00357	13.4
151.04047	1.8
161.02448	100.0
161.04387	7.9
162.02835	3.1
171.10281	2.2
177.01967	1.2
179.03542	6.2
179.05565	4.6
184.68080	0.9
193.05042	1.2
201.11389	2.4
221.04573	1.1
253.14519	7.1
271.06125	21.0
271.15488	3.6
271.19125	3.2
272.06421	1.2
313.12100	1.3
323.07629	6.5
351.03912	1.2
359.20706	2.9
415.19443	1.0
433.11423	79.0
433.19888	28.2
433.25235	7.7
434.11737	7.0
434.20721	1.6
453.16498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1349
Annotation	6alpha-Hydroxyforsythide dimethyl ester
Peak:m/z	Relative Intensity
55.01873	3.3
57.03442	3.2
59.01379	42.2
61.98813	2.6
69.66283	2.2
71.01380	63.2
72.01718	1.3
72.99286	1.4
73.02943	17.3
75.07413	0.7
77.83401	0.7
81.03447	1.2
83.01372	6.4
85.02947	25.2
85.03467	1.4
87.00880	5.8
89.02444	20.5
92.50240	0.6
93.03490	0.7
95.01400	5.6
96.21713	0.6
97.02934	3.6
99.00876	5.7
101.02444	40.0
108.02173	100.0
109.02961	64.0
110.03273	1.4
113.02450	31.8
119.03502	6.8
121.02963	1.9
123.00844	1.7
123.04514	3.4
125.02455	3.2
129.02016	0.9
130.08743	0.8
131.03473	4.0
133.02960	3.0
134.03714	0.8
134.04697	1.0
135.04500	1.2
138.85083	0.7
141.00508	0.8
143.03477	8.7
151.04005	8.0
159.02966	4.6
161.04559	52.8
162.04807	1.2
163.03995	5.6
176.98059	0.9
179.05634	2.6
182.81084	0.7
193.05057	0.8
220.65070	0.8
221.06635	6.2
232.03368	1.6
245.06570	0.8
271.08218	52.0
272.08554	3.2
323.09763	2.9
329.06195	0.9
373.14233	1.2
433.13525	65.3
434.13730	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
57.03434	1.4
59.01375	95.7
61.98826	2.4
62.12022	1.2
64.72995	1.5
69.03450	9.6
71.01376	87.1
72.99305	2.7
73.02947	17.8
75.00874	2.3
78.54723	1.4
81.03452	6.4
83.01382	6.5
85.02949	9.9
87.00841	2.0
89.02440	100.0
90.02760	1.7
93.03448	2.0
95.01359	3.2
96.96028	1.8
97.02950	11.7
99.00874	22.3
100.50368	1.3
101.02429	20.3
111.00871	2.2
113.02448	8.5
115.03997	10.7
119.03502	2.8
119.56139	1.4
121.02948	2.8
123.00887	6.0
124.00845	2.7
124.01664	40.2
125.02446	63.8
126.02747	2.2
127.03954	2.3
131.03494	11.6
139.03012	2.5
139.04010	34.7
143.03500	5.2
149.04558	15.5
161.04527	4.9
162.05554	6.1
163.05933	2.8
191.05571	11.2
192.95804	1.7
233.06650	41.1
234.07053	2.2
271.11530	3.3
293.08774	49.3
294.09171	2.7
301.09085	1.9
310.72250	1.6
433.13165	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65742	0.5
59.01377	100.0
60.01707	0.6
61.98822	1.7
71.01382	6.5
72.99306	0.6
73.02936	0.6
75.34503	0.5
78.21481	0.5
83.01345	0.5
85.02968	2.1
89.02440	5.7
89.66595	0.6
101.02430	3.0
102.54630	0.6
113.02444	3.2
115.04018	0.7
119.03515	2.1
127.21467	0.5
135.04466	0.6
137.02505	0.7
143.03526	0.7
153.01970	3.0
157.08791	1.2
161.02469	1.3
161.04614	1.1
179.05560	0.7
181.01422	21.5
192.66673	0.6
196.03764	28.7
197.04193	1.0
201.11308	0.7
211.06111	47.7
212.06514	2.7
244.52132	0.5
253.14516	1.2
292.39215	0.6
313.07135	0.9
359.20813	1.1
433.11887	1.3
433.19754	4.9
433.24966	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43003	0.5
57.03440	0.6
59.01379	100.0
59.09502	0.5
60.01720	0.7
61.98832	5.1
69.94170	1.2
71.01381	3.4
73.02939	0.7
82.95415	1.0
85.02973	1.3
89.02454	1.7
92.41308	0.5
99.00936	0.6
101.02460	1.9
105.89829	0.5
111.00920	0.5
113.02462	1.2
114.05637	1.0
116.92817	0.6
128.03526	0.5
131.04657	1.3
142.76033	0.5
146.06183	0.7
147.03021	0.6
161.04610	2.4
181.05067	4.2
196.07391	4.1
211.09744	7.2
212.10258	0.5
315.20178	0.6
350.70767	0.5
373.14825	0.9
376.09131	0.6
433.16113	0.7
433.21603	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12083	0.9
59.01380	100.0
61.98825	3.3
69.13879	5.0
85.00402	0.9
93.82544	0.9
98.22681	1.8
107.82812	0.8
187.09634	0.9
221.65587	0.9
267.93134	0.8
272.27695	0.8
300.68015	0.8
365.06335	1.4
420.37656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	72.4
61.98823	100.0
69.46169	93.2
98.21911	37.7
100.65095	30.0
102.03436	27.2
110.97687	26.2
151.65175	25.4
180.81873	26.5
210.30664	27.4
324.14139	28.2
324.34628	28.9
345.20908	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65055	13.0
57.79843	12.7
59.01379	65.6
61.98825	100.0
65.42299	13.3
71.41852	17.1
86.83159	14.4
94.35625	13.3
121.37215	13.1
152.45151	11.9
154.22992	15.7
198.81029	13.4
329.76544	16.5
426.44995	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	0.8
61.98825	3.1
69.62117	1.0
69.62505	1.1
70.30380	0.4
71.01375	2.3
73.02954	0.8
82.95412	1.1
85.02958	1.2
89.02444	0.7
98.21953	0.9
101.02443	1.4
113.02443	0.9
138.11711	0.4
144.30708	0.4
161.04611	0.7
171.70853	0.5
197.11919	1.1
202.27216	0.5
233.57996	0.5
235.80624	0.4
253.04716	1.0
311.31961	0.5
347.21140	0.8
387.59814	0.5
433.24637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.9
61.98830	3.6
70.50813	0.6
71.01383	2.9
72.31983	0.3
73.02942	0.9
73.79438	0.3
83.01391	0.5
85.02954	0.6
89.02433	2.3
95.01411	1.2
101.02435	1.7
113.02457	0.8
119.03512	1.4
123.00928	0.9
137.02483	0.5
138.03265	0.9
139.00392	1.1
139.03979	0.5
145.03009	0.8
152.01215	0.5
161.04597	0.4
162.03188	0.5
166.02701	0.8
177.05644	0.5
178.02698	1.1
179.05891	0.3
191.03577	0.3
192.04243	0.4
193.04999	1.8
207.06621	0.5
218.05789	0.5
255.19623	0.4
318.63409	0.3
355.08124	0.3
358.10754	1.0
373.08801	0.4
373.12997	3.7
373.17722	0.5
373.22568	0.4
374.13339	0.4
397.17520	0.3
403.10333	1.0
403.14197	1.4
418.12692	1.6
433.15140	8.5
433.24365	2.8
434.15500	0.7
434.25034	0.4
452.27347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03452	0.3
58.32857	0.2
59.01378	100.0
59.75135	0.2
60.01716	1.4
61.01806	0.8
61.98827	3.9
66.80910	0.2
69.13916	0.6
69.14319	0.9
71.01379	6.7
71.33174	0.2
72.99310	0.4
73.02954	1.1
74.58512	0.2
83.01400	0.4
85.02949	2.1
87.00897	0.4
89.02448	5.8
95.01418	0.4
99.00912	0.3
101.02441	4.1
101.03094	0.3
113.02457	2.9
116.92927	0.4
119.03506	3.0
131.03485	0.2
143.03465	0.4
149.04596	0.4
161.04533	2.5
173.13399	0.3
179.05672	1.1
201.11407	0.4
280.81683	0.3
297.63962	0.3
300.02863	0.5
331.17773	0.5
373.18954	0.9
433.20392	0.9
433.25305	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03465	1.1
58.00610	1.0
59.01377	100.0
60.01724	1.3
61.98836	0.7
64.95980	0.4
69.26982	2.9
71.01381	53.3
71.96500	0.5
72.01738	0.9
72.99313	1.0
73.02941	2.8
75.00917	0.6
81.19387	0.5
83.01402	2.0
85.02946	8.4
87.00887	2.4
89.02443	66.4
90.02804	1.0
90.17046	0.5
95.01375	2.6
97.08481	0.6
99.00878	1.1
99.04505	0.8
99.92607	1.1
100.93375	1.0
101.02441	30.6
101.06093	1.0
109.06559	0.8
113.02443	22.4
114.02782	0.7
115.92070	0.8
116.92860	9.1
117.92992	0.6
119.03499	28.6
125.02452	0.8
131.03503	2.7
134.16512	0.5
143.03462	4.8
149.04584	2.0
161.04556	6.7
167.03525	1.3
167.81165	0.5
179.05609	13.6
271.19223	2.3
359.20587	0.9
387.20389	1.1
433.04987	1.2
433.20279	2.5
433.25357	10.7
434.25308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03444	1.8
58.00602	0.8
59.01382	100.0
60.01718	0.8
61.98842	1.1
69.03483	0.6
69.54701	0.5
69.86846	1.5
71.01384	47.7
72.99336	1.4
73.02960	3.2
80.96601	0.6
83.01399	2.9
85.02960	9.9
85.03453	0.6
87.00915	2.2
89.02448	56.8
90.02761	0.9
95.01392	3.6
96.96028	1.3
97.06698	0.6
101.02446	28.5
101.06128	0.9
108.02161	0.6
109.03002	1.7
109.06637	0.9
113.02459	18.8
114.93433	0.9
115.04045	0.6
118.28970	0.6
119.03510	27.0
125.02454	0.9
131.03465	3.0
133.02948	3.3
135.04591	0.9
143.03528	5.9
149.04651	2.3
159.03166	0.7
161.02470	8.8
161.04533	6.4
179.04031	1.1
179.05609	10.9
201.11426	0.8
235.93314	0.5
253.14708	1.6
271.06250	0.8
271.16602	0.7
271.19409	2.5
321.15884	0.7
323.08685	0.6
362.47198	0.7
433.11563	5.9
433.25116	20.3
434.25198	3.1
445.32751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
57.03449	4.6
58.00591	0.8
59.01379	100.0
60.01706	1.0
61.98830	1.0
69.03445	1.2
69.49826	0.7
69.50166	2.0
71.01380	62.0
72.01729	0.6
72.99288	0.7
73.02946	27.6
74.03259	0.6
75.00837	1.2
80.74416	0.5
82.04284	0.5
83.01385	7.0
83.05015	0.5
84.02145	0.6
85.02947	26.0
87.00869	2.9
89.02443	28.2
90.02819	0.6
95.01397	4.9
97.02952	1.9
99.00874	5.8
101.02441	37.2
102.02740	0.6
103.04034	0.7
109.17549	0.4
111.00877	1.1
113.02452	26.3
119.03502	11.1
125.02455	1.2
129.01971	1.6
131.03526	1.2
135.11829	0.9
143.03514	2.9
147.11789	2.4
149.04625	0.7
153.12920	0.6
159.03000	4.5
161.04553	22.7
162.04790	0.7
179.05605	3.1
223.17104	0.5
235.16928	0.7
260.90048	0.5
271.19104	11.5
272.19449	0.9
341.96729	0.5
415.23465	0.5
433.24438	86.0
434.24808	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
57.03449	4.6
58.00591	0.8
59.01379	100.0
60.01706	1.0
61.98830	1.0
69.03445	1.2
69.49826	0.7
69.50166	2.0
71.01380	62.0
72.01729	0.6
72.99288	0.7
73.02946	27.6
74.03259	0.6
75.00837	1.2
80.74416	0.5
82.04284	0.5
83.01385	7.0
83.05015	0.5
84.02145	0.6
85.02947	26.0
87.00869	2.9
89.02443	28.2
90.02819	0.6
95.01397	4.9
97.02952	1.9
99.00874	5.8
101.02441	37.2
102.02740	0.6
103.04034	0.7
109.17549	0.4
111.00877	1.1
113.02452	26.3
119.03502	11.1
125.02455	1.2
129.01971	1.6
131.03526	1.2
135.11829	0.9
143.03514	2.9
147.11789	2.4
149.04625	0.7
153.12920	0.6
159.03000	4.5
161.04553	22.7
162.04790	0.7
179.05605	3.1
223.17104	0.5
235.16928	0.7
260.90048	0.5
271.19104	11.5
272.19449	0.9
341.96729	0.5
415.23465	0.5
433.24438	86.0
434.24808	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31477	3.3
59.01375	100.0
60.01711	7.5
61.98837	19.3
65.82065	3.4
66.20538	3.6
69.23271	13.5
71.01371	21.2
73.02928	4.2
83.61615	3.0
85.02924	7.0
89.02451	13.9
96.96019	4.7
101.02428	11.3
113.02470	6.9
116.92857	14.4
117.92847	6.5
119.03499	6.0
121.02934	3.9
123.04465	3.8
131.04587	3.4
161.04599	4.0
164.32155	3.4
191.05325	3.8
199.09827	4.5
216.21614	3.4
224.87332	3.0
225.24742	3.2
232.29565	3.3
239.03578	3.4
239.07118	4.5
240.04202	32.8
251.07083	4.5
255.06560	10.3
257.12790	3.8
265.04977	5.5
267.06592	14.2
270.08942	4.0
277.04706	3.7
283.06165	18.6
295.06183	39.0
296.06287	5.4
298.08469	45.8
299.08652	4.0
308.11203	4.1
310.08569	29.1
313.10806	61.8
314.11032	6.4
325.07196	6.5
325.10712	38.9
326.11176	5.1
343.11783	5.3
361.12946	75.1
362.13138	6.7
373.12881	53.3
374.12653	4.5
420.14417	7.3
433.20551	7.3
434.21072	21.7
435.17160	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1964
Annotation	Cryogenine
Peak:m/z	Relative Intensity
58.02977	14.6
58.75052	1.0
59.01377	16.0
61.98829	9.2
65.62923	0.8
66.03479	1.4
68.05045	1.0
71.01385	3.7
74.02471	27.3
81.04568	1.8
82.02980	3.8
84.04567	1.6
85.02975	1.0
85.04118	1.0
85.77056	0.9
86.02477	11.6
86.06116	3.5
87.05650	4.5
89.02435	2.9
96.04550	1.1
97.04073	4.2
99.05640	26.4
101.02450	1.8
101.07196	4.9
102.05608	3.1
104.10732	1.0
107.06153	2.2
109.04088	4.8
109.07706	3.6
111.05621	2.3
112.04044	3.2
113.02419	1.5
113.03647	0.9
123.05644	1.0
124.04044	1.4
124.07659	1.6
125.03561	4.3
126.04333	1.6
127.05154	5.1
128.03537	69.7
135.05624	9.0
137.07167	1.5
138.37828	1.3
141.06705	3.8
143.04622	100.0
144.04977	1.9
145.06203	4.3
146.04594	10.3
149.07205	1.9
153.06686	7.1
161.10077	15.3
166.09886	4.2
167.04594	5.0
167.08252	6.4
170.03349	2.1
171.04108	3.6
179.04613	28.5
181.06168	2.9
184.11037	1.5
185.05675	2.7
192.07732	2.3
197.05681	6.2
210.08852	22.6
228.09859	1.0
233.65721	1.0
254.07831	50.5
255.08177	2.6
272.08878	55.4
273.09116	2.6
281.58289	1.0
288.13605	1.1
305.15353	6.7
306.15482	1.1
392.93292	1.3
416.18555	13.3
417.19275	1.5
434.19659	94.0
435.19638	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.7
60.01724	2.2
61.98830	100.0
63.03334	0.5
67.84373	0.6
69.19740	3.5
71.01381	8.9
72.01721	1.2
73.02948	0.7
85.02958	1.8
86.03255	0.8
87.00900	0.7
89.02442	9.9
90.02795	1.3
92.47121	0.7
94.74590	0.5
101.02443	4.1
102.02790	1.1
113.02452	3.2
114.02807	1.3
119.03501	5.1
120.03888	1.1
125.85980	0.6
128.03561	2.1
143.03603	1.1
143.04657	2.4
161.04576	2.2
167.08261	0.6
176.97574	0.6
179.05659	2.5
180.05954	0.7
254.07866	1.4
254.59807	0.6
267.83093	0.7
272.09003	1.1
434.19910	1.4
434.25067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04105	16.1
59.01373	32.8
66.68336	16.3
83.05054	41.8
103.01504	25.2
125.87296	44.2
127.87028	85.3
128.87823	37.7
136.56804	17.8
159.85965	22.8
173.50967	21.3
240.14252	20.0
260.60760	17.6
377.02200	27.9
391.29648	100.0
434.05533	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.06
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
58.58883	0.5
59.01381	30.9
60.01704	0.8
60.60298	0.4
61.01809	0.5
61.98838	3.0
62.46051	0.4
65.78519	0.4
69.88921	1.3
71.01382	9.6
72.99303	1.2
73.02953	2.9
79.95737	2.2
80.96519	1.3
83.01392	1.5
85.02954	4.2
87.00887	0.9
89.02461	4.3
90.02772	0.6
92.19614	0.5
95.01441	0.6
95.95247	0.8
96.96010	100.0
99.00906	2.3
99.92596	1.5
100.93370	1.4
101.02438	5.8
103.00359	1.0
109.02966	0.5
111.00883	0.6
111.08157	0.5
113.02448	4.2
114.01979	1.0
115.92071	2.0
116.92866	14.5
117.92907	0.9
119.03533	2.5
120.03886	0.5
129.01981	0.4
138.32480	0.4
138.97064	0.7
142.99849	0.6
143.03482	0.5
161.04547	1.3
171.10332	0.5
173.00882	0.7
174.01707	1.3
179.05673	0.4
206.04535	0.9
209.15221	0.4
211.13333	0.5
235.26677	0.4
241.00255	1.0
243.12305	1.0
255.16023	1.1
312.20102	0.4
314.88763	0.4
318.43951	0.5
320.18613	0.7
331.04779	2.6
335.28928	0.5
349.05969	77.0
350.06216	5.1
375.16348	0.8
391.07043	60.1
392.07303	4.5
393.17697	1.2
417.04745	1.4
434.24957	1.0
435.05997	15.2
435.12604	0.5
435.22363	9.1
436.06076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03451	0.8
59.01379	22.5
60.01712	1.4
61.98820	1.7
69.63116	1.1
71.01381	6.9
72.01695	0.5
72.99297	0.5
73.02940	2.3
79.95745	2.7
80.96524	1.7
83.01414	0.9
85.02941	3.6
86.03277	1.0
87.00874	0.7
89.02442	4.5
90.02769	0.9
95.01396	0.4
95.95245	0.9
96.96009	100.0
99.00872	0.8
99.92573	0.7
100.93377	0.9
101.02451	5.4
102.02767	1.0
103.00375	0.8
113.02445	2.3
114.01983	0.5
115.92098	1.0
116.92869	7.2
119.03502	1.9
120.03793	0.6
138.97050	1.1
155.10780	1.0
161.04579	1.9
179.05609	0.5
234.84389	0.4
241.00201	0.8
243.12384	0.4
255.15976	0.7
272.19424	0.6
280.69189	0.5
302.03540	0.5
320.18552	0.5
331.04913	1.8
343.21149	0.5
349.05960	78.3
350.06329	4.7
367.13971	0.6
391.07034	59.6
392.07288	4.0
417.04919	0.9
434.24908	2.4
435.05948	19.3
435.22223	4.5
436.06232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69472	0.2
52.95390	0.2
63.69809	0.2
65.00320	0.3
66.02060	0.2
71.01378	0.3
79.95720	0.5
80.96513	0.3
96.95999	1.5
97.02924	0.4
118.14828	0.2
124.01667	2.5
125.06074	3.4
139.04015	1.6
152.01149	17.2
153.01468	0.6
162.06857	0.5
165.01906	1.1
166.02675	0.4
175.03894	0.4
180.04274	0.7
190.06247	0.6
191.07077	0.4
193.05034	0.4
205.08694	2.2
208.07387	10.4
209.07820	0.9
210.99161	7.2
223.09738	100.0
224.10088	4.9
286.86249	0.2
367.06406	0.2
435.09659	3.5
436.09732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43764	0.3
57.58813	0.3
69.32287	1.5
79.13136	0.3
79.46140	0.3
79.95743	0.7
87.00991	0.3
93.11889	0.3
96.02189	0.4
96.95995	1.6
98.21972	0.7
100.24050	0.3
124.01653	2.7
125.06087	3.4
139.04028	1.5
152.01146	18.9
153.01447	0.5
165.01920	1.1
166.02766	0.5
180.04224	0.5
190.02567	0.3
190.06265	0.4
191.07045	0.4
193.05103	0.6
198.46199	0.3
205.08710	2.2
208.05511	0.7
208.07401	11.2
208.09393	0.6
209.07867	0.4
210.99164	7.5
211.01094	0.6
211.99370	0.3
223.09738	100.0
224.10045	5.1
435.09631	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
61.70310	0.6
61.98825	1.2
68.63625	0.5
71.01385	1.5
77.68369	0.5
85.02952	8.6
87.00871	2.3
89.02433	1.5
92.92779	0.7
93.03465	3.3
101.02418	0.6
108.02191	0.6
111.04519	0.9
127.04008	1.9
133.05095	0.6
150.03227	1.8
165.05530	5.7
173.04482	1.2
182.02106	0.5
183.99968	0.5
191.05606	100.0
192.05913	3.0
213.07626	1.2
294.72369	0.6
336.12512	0.6
356.94699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05787	0.8
55.01892	0.7
56.18778	0.7
57.03437	2.8
59.01074	1.7
59.01378	35.0
61.98820	1.8
67.01901	1.1
70.23685	1.6
71.01015	1.1
71.01382	16.0
73.02946	1.9
83.01376	1.0
85.02957	5.6
87.00882	1.4
88.98819	1.0
89.02448	10.8
96.96027	1.5
99.00874	1.9
99.92590	2.7
100.93357	3.2
101.02464	8.6
108.02163	0.8
109.02959	2.6
109.89310	0.7
111.00745	0.8
112.02939	0.8
113.02448	5.7
114.05668	0.9
115.04000	1.6
115.76042	0.8
115.92078	5.9
116.92862	28.3
117.92887	1.8
119.03529	4.8
119.05016	3.0
123.00907	2.0
124.01674	4.0
125.30406	0.7
136.38957	0.8
137.02444	5.4
138.03236	2.3
139.04031	4.8
145.02950	3.7
147.04521	1.3
151.00375	14.5
151.03946	1.2
152.01103	2.6
153.01929	1.5
153.05547	2.4
160.01648	1.6
161.02472	2.8
161.04568	3.5
163.03999	3.0
164.01146	1.1
165.01924	20.3
166.02711	36.9
167.03445	2.5
171.10374	0.7
173.02440	4.3
174.03152	2.5
175.04021	5.0
176.04616	1.5
177.05623	2.2
178.06357	1.5
179.03502	7.6
179.05040	1.0
179.05673	1.3
180.04259	11.2
181.05055	38.3
182.05449	1.7
188.04785	2.4
189.05588	2.6
190.06372	5.5
191.07104	3.5
192.04230	1.6
193.05109	2.6
194.05818	2.9
195.06636	16.4
196.06955	0.9
199.09810	1.8
203.07172	1.0
205.08638	4.5
207.06564	1.5
208.07397	1.0
209.08209	3.3
210.05286	1.8
225.07671	12.8
225.09668	1.3
226.07964	1.2
237.14922	1.1
241.05139	2.5
253.05054	2.3
255.06577	1.6
255.16020	9.3
267.06583	1.0
269.04517	9.6
273.20773	4.1
273.23322	0.8
281.04327	1.2
283.06207	1.2
284.06812	2.6
294.05411	0.8
296.07004	1.0
297.04037	15.6
299.09384	1.7
303.46927	0.8
309.07629	1.2
312.06393	18.4
313.06668	0.9
321.78088	0.9
327.08728	39.8
328.09012	3.1
331.04663	0.8
342.11047	34.2
343.11469	2.8
349.05994	1.3
357.13437	100.0
358.13733	8.7
372.12332	1.2
375.14484	23.1
376.14761	2.1
387.10529	1.0
387.14529	5.9
391.06976	1.6
393.17563	0.8
402.13135	1.9
405.15631	9.3
417.15549	4.3
435.05496	1.6
435.21710	15.6
436.22672	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.52975	1.2
69.52061	4.6
70.23837	1.1
85.00415	1.8
97.02931	3.0
103.01499	92.8
120.05402	1.2
125.87327	11.1
126.88100	2.6
127.87067	3.6
157.86208	1.3
196.88898	1.3
223.13350	1.2
243.97087	1.2
261.11008	1.5
262.11771	10.5
290.60690	1.3
293.05008	1.4
309.20660	4.1
329.02548	3.6
330.03165	10.2
331.02170	1.8
331.18839	11.3
333.02002	1.6
363.12473	3.3
366.99854	3.2
397.09100	1.7
399.10101	12.2
400.09866	2.1
435.07352	2.3
436.07486	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
60.53126	2.1
61.98825	3.0
66.87885	1.9
69.37505	4.5
69.37917	7.2
71.01351	1.9
88.98073	1.9
96.95975	2.1
113.02394	2.5
124.01648	4.2
125.06062	3.0
128.25345	2.4
152.01161	18.4
208.07349	11.2
210.99135	5.5
223.09750	100.0
224.10107	5.0
250.84096	2.1
273.20941	3.0
313.98590	2.1
352.91544	2.0
406.77560	2.4
435.25571	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86860	3.8
57.30931	4.5
58.48494	3.7
59.01378	34.1
61.98820	17.7
62.58442	3.9
63.50909	4.0
69.22919	24.7
73.02943	7.9
76.62917	4.1
101.02412	5.7
110.89760	4.8
119.57475	4.0
128.68549	4.0
181.54059	3.8
209.08090	7.6
230.87704	4.2
251.06166	9.4
273.35928	4.7
277.04871	6.6
279.05579	8.5
292.07327	4.7
293.07111	4.4
294.07886	5.0
295.05045	6.2
320.03415	4.7
321.03833	6.0
321.66321	4.7
322.03717	9.8
323.04535	8.0
336.06165	11.0
337.06131	21.5
338.06851	27.9
339.06741	13.0
340.07492	5.4
351.09000	20.1
353.09259	93.2
354.09500	5.8
355.09753	22.5
379.41678	4.6
435.04691	100.0
435.25900	5.7
436.04694	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70091	20.9
59.01378	56.1
61.98823	31.8
67.45307	22.7
69.37659	100.0
88.98820	23.3
90.24066	21.9
96.72913	24.1
98.89406	23.1
103.01441	29.6
155.10770	25.8
167.40195	22.7
178.34206	25.8
195.54097	22.2
223.09779	46.2
257.48825	25.5
309.58047	25.8
337.09433	26.4
353.08163	53.8
367.21890	23.6
429.12927	27.7
435.20435	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23389	11.3
59.01384	96.8
61.96830	10.8
61.98834	100.0
69.71637	45.1
71.01377	47.6
72.93157	13.8
73.70845	11.7
85.02949	19.0
89.02467	19.3
96.96062	12.6
98.22560	23.1
99.00890	22.5
101.02466	28.4
113.02435	20.6
153.01909	15.7
163.42134	14.7
191.05618	19.6
194.29514	12.9
208.07402	12.9
223.09796	53.0
405.15469	17.9
435.20859	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2232
Annotation	HC-toxin
Peak:m/z	Relative Intensity
59.01377	49.5
62.31678	1.3
70.40183	2.3
71.01382	19.9
73.02946	4.4
81.03468	1.7
83.01365	2.2
83.05021	31.3
85.02950	6.7
87.00883	1.7
89.02451	15.0
94.40863	1.2
95.01370	2.4
96.96009	1.5
98.44881	1.3
101.02430	11.8
111.00876	1.3
113.02450	7.0
119.03504	7.2
119.05083	1.5
122.71167	1.2
123.04509	1.4
130.81747	1.1
153.05582	2.9
155.10715	2.1
161.04573	2.7
163.14925	1.2
165.01897	2.3
166.02682	2.9
179.03412	2.0
179.05576	2.4
180.04314	1.9
181.05014	2.8
194.05824	1.3
195.06641	2.9
225.07724	1.9
255.15985	25.6
256.16428	2.0
273.17020	2.0
281.06592	1.9
312.06345	1.9
327.08719	5.0
342.10931	4.7
357.13492	10.7
372.87576	1.2
375.14429	2.4
384.06384	1.3
387.14096	1.5
417.93704	1.2
435.12769	3.9
435.22305	100.0
436.22449	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98834	0.8
62.96384	0.5
70.39372	0.9
78.95900	16.8
79.76804	0.5
104.97482	1.0
107.96712	0.5
110.98533	9.0
152.99596	6.9
158.84708	0.8
167.01135	10.1
185.02168	2.7
239.47357	0.5
267.23279	100.0
268.23611	6.9
277.21640	0.5
435.20398	1.4
435.25217	19.5
435.31177	1.1
436.25656	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49714	5.3
63.05077	4.0
66.61278	4.8
75.00865	6.4
87.81476	4.5
99.92554	7.2
116.59750	4.1
116.92862	66.2
116.97253	19.7
156.89502	11.8
195.13861	7.2
195.76616	4.3
213.14830	4.9
215.74934	4.4
237.14937	6.4
255.16006	100.0
255.18680	4.9
256.16183	6.2
257.17569	97.3
257.83508	4.7
258.17877	6.9
268.50677	4.6
295.22632	10.1
353.18484	18.6
435.11951	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01374	3.7
78.95898	4.5
81.03470	1.6
87.59946	1.9
95.05073	2.0
97.02977	4.8
97.06593	2.1
99.08144	2.6
99.92580	2.9
107.47285	1.9
110.98524	3.3
111.08060	2.1
123.04585	4.1
123.08067	2.5
125.06046	3.7
125.09699	5.7
127.07643	2.8
137.09706	2.4
139.07648	6.8
143.07133	6.5
145.08682	5.4
147.16289	1.9
158.02209	1.9
163.11285	9.9
165.12852	2.0
167.01108	2.3
181.12318	1.8
185.11847	7.0
197.11806	20.9
199.13429	2.1
207.10234	3.9
209.11781	5.3
225.11359	4.8
237.18716	11.3
245.19077	8.9
260.16660	2.2
267.23270	44.2
268.23495	2.0
289.18051	20.7
291.19580	2.5
306.18237	9.5
307.19305	10.0
309.20685	5.7
322.17941	2.8
323.18530	6.1
324.19406	100.0
325.19669	8.1
366.24078	19.3
417.30170	2.5
435.25220	6.9
435.31058	18.9
436.28131	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1484
Annotation	Semicochliodinol A
Peak:m/z	Relative Intensity
59.01377	4.6
61.98830	1.4
62.08741	0.3
63.96240	1.6
64.41206	0.3
71.01371	1.0
71.09464	0.5
73.02926	0.6
77.45734	0.3
78.06932	0.3
79.95734	20.0
80.96516	13.0
81.03442	1.2
85.02934	0.7
96.96020	2.8
101.02439	1.0
113.02466	0.6
126.23925	0.3
177.12840	0.4
184.99120	1.1
185.99921	14.5
187.00310	0.4
195.13867	0.5
200.01477	0.6
257.08524	100.0
258.08850	6.0
259.10080	20.4
259.12918	0.6
260.10373	1.1
372.30850	0.3
377.13028	0.7
437.14847	50.9
438.15079	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.7
61.98811	9.8
70.94986	4.3
71.01368	11.6
73.02940	3.9
85.02969	4.4
89.02423	4.1
96.96015	4.1
100.93345	13.1
101.02427	9.3
115.92078	11.8
116.92857	4.0
119.03493	4.0
119.05008	9.3
125.02396	5.0
127.66869	3.5
128.03531	3.7
139.24460	3.3
151.07625	12.2
157.74522	4.0
163.03964	6.9
195.06601	62.1
210.97015	5.9
226.06352	10.8
275.11041	3.9
281.59656	4.3
298.14499	11.0
322.45908	3.7
356.96375	4.3
357.00555	6.2
378.10007	27.1
393.17609	5.8
437.07391	27.6
437.15802	100.0
438.16095	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.6
57.03431	7.3
59.01376	62.3
61.98814	7.3
69.03448	3.9
69.22212	8.2
71.01379	100.0
71.10664	2.3
72.99311	3.8
73.02943	35.0
75.00856	3.0
83.01375	9.7
85.02951	41.4
85.06564	4.2
87.00875	8.6
88.02306	2.4
89.02447	33.5
95.01394	5.8
97.02934	4.1
98.21769	3.6
98.48599	1.9
99.00880	15.6
99.04552	2.1
101.02444	60.3
107.70319	2.0
111.00857	5.8
113.01704	2.9
113.02448	39.6
119.03449	6.1
125.02425	7.8
128.94188	2.3
131.03490	6.7
143.03496	7.1
143.10776	11.7
144.04536	2.7
144.08414	2.2
149.04526	9.7
159.02954	11.2
161.04558	55.9
180.25528	2.0
191.05571	3.3
193.05101	2.8
201.11304	19.9
227.32407	2.6
236.44304	2.5
253.09261	2.8
269.10184	3.2
293.08554	6.0
305.16028	76.9
306.16541	3.9
375.07059	3.0
401.14590	24.5
437.14755	21.1
437.21082	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.0
57.02373	2.2
57.03451	7.3
59.01377	59.5
61.98823	5.8
68.56638	2.7
69.03452	3.2
69.60244	3.0
69.80614	5.9
71.01379	100.0
73.02951	33.9
83.01387	11.0
85.02946	39.7
87.00876	8.4
89.02452	39.5
91.46352	3.1
95.01400	6.3
96.95982	3.7
97.02969	3.6
99.00896	19.8
101.02441	59.8
102.59247	2.8
113.02442	32.8
119.03488	5.9
125.02438	8.2
131.03517	5.7
143.03497	3.6
143.10783	9.1
149.04536	9.3
159.02989	8.5
161.04579	51.2
179.05641	3.3
191.05641	4.4
201.11330	21.6
243.51016	2.9
253.09332	4.6
269.10477	5.2
305.16055	69.6
306.16254	5.0
355.90756	2.7
375.16458	2.9
401.14496	19.2
437.15237	28.1
437.20929	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.7
57.72614	4.6
59.01378	75.3
61.98827	52.2
69.83064	18.4
71.01377	37.5
72.99315	8.9
73.02944	24.6
78.95902	23.3
82.64433	5.3
83.01398	6.3
84.95103	5.5
85.02949	15.6
87.00871	16.3
89.02454	18.8
96.96001	5.4
96.96965	72.3
99.00875	7.0
101.02446	42.6
112.23037	5.5
113.02420	12.2
115.92104	8.4
116.92856	9.7
117.92204	4.6
119.03510	14.1
123.00890	6.0
134.03758	7.2
145.01416	7.8
145.56458	5.1
161.04596	11.9
163.02528	7.6
164.51282	5.3
179.05652	17.3
180.99110	21.0
195.00577	9.1
200.00816	7.4
215.03368	11.3
221.11839	29.0
255.08871	5.7
268.22787	5.4
338.59137	5.4
377.18011	13.0
401.17993	15.7
437.09103	11.2
437.15570	100.0
437.20721	9.3
438.16141	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67154	0.6
55.01862	3.4
57.03448	0.9
59.01380	15.7
65.43373	0.6
69.03453	100.0
70.03801	1.5
71.01373	3.6
72.99323	2.1
73.02947	1.5
79.01904	2.6
83.01389	1.1
84.95110	1.4
85.00438	5.6
85.02953	2.7
86.39455	0.6
87.04509	2.0
95.01383	1.7
96.96030	1.3
97.02945	20.0
99.00880	25.0
101.02450	2.9
111.00892	0.7
113.02444	1.9
121.02982	0.7
123.00904	0.9
135.08179	0.9
141.01939	5.6
185.00905	56.9
186.01256	1.0
215.14359	2.0
233.15453	7.4
251.16473	1.7
377.19681	6.9
378.19827	1.2
395.20770	10.7
411.98825	0.7
419.24484	1.4
437.17578	8.4
438.18439	1.3
438.24692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87605	0.4
55.01876	5.6
56.21584	0.4
57.03446	7.1
58.00595	0.9
59.01377	48.9
61.98824	0.6
64.00123	0.4
69.03459	2.6
69.31019	2.1
70.93745	0.4
71.01380	95.0
71.05013	2.8
72.01719	1.1
72.99309	1.7
73.02943	31.5
73.82554	0.4
74.03300	0.6
75.00875	1.5
81.03458	1.2
83.01386	12.6
84.02167	0.4
85.02947	42.1
86.03275	0.6
87.00871	4.3
87.74745	0.4
89.02441	23.3
90.02773	0.5
95.01388	7.1
95.01995	0.5
96.96027	0.6
97.02938	3.9
98.22643	0.7
99.00880	13.8
101.02441	60.7
102.02802	0.9
104.76227	0.4
106.28404	0.4
111.00887	1.7
113.02448	36.7
114.02763	1.0
115.03991	0.8
119.03510	3.2
120.01241	1.3
125.02441	6.2
129.01904	1.9
131.03496	4.4
136.07712	0.7
143.03500	4.5
143.10773	7.3
145.01471	0.4
147.80801	0.4
149.04579	5.8
159.03001	8.5
160.03354	0.5
161.04559	53.1
162.04919	1.5
163.02443	0.4
179.05626	0.5
186.27289	0.4
191.05594	3.2
201.11279	0.5
225.09941	0.5
227.12859	1.1
233.06685	2.6
255.11444	1.2
273.12375	0.7
293.08817	1.7
305.16037	100.0
306.16406	6.7
344.65506	0.4
377.17935	0.5
401.14459	1.7
437.20276	28.5
438.20383	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35044	0.6
53.58146	0.8
54.57550	0.5
55.01871	5.3
57.03448	7.5
57.27824	0.6
58.00597	0.8
59.01378	47.3
61.98833	3.7
66.04203	0.6
66.06644	0.5
66.88255	0.6
69.03441	2.4
70.81262	1.0
71.01379	93.3
71.05016	3.1
72.01713	1.4
72.99303	1.8
73.02943	31.6
75.00871	1.5
83.01380	14.6
84.02154	0.8
85.02947	44.1
87.00871	5.1
88.04039	0.6
89.02441	21.6
95.01389	5.8
97.02930	3.4
99.00875	12.0
101.02438	60.9
111.00885	1.7
113.02442	34.3
114.02739	0.8
115.04001	0.7
119.03500	2.6
125.02458	6.2
129.01932	1.7
131.03496	4.6
143.03514	3.8
143.10771	5.9
149.04562	3.7
159.02995	7.5
161.04552	49.3
162.04842	0.9
183.10220	1.2
191.05656	1.9
201.11269	1.6
209.11678	0.8
225.09901	1.1
227.12968	1.1
228.90492	0.7
233.06667	2.2
269.10220	3.3
293.08749	1.5
305.16025	100.0
306.16373	6.8
308.41626	0.7
401.14493	21.2
402.14841	1.5
437.15723	1.2
437.20325	26.3
438.20193	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37391	11.7
55.31923	11.6
59.01377	100.0
61.98827	33.4
66.74860	11.5
71.01364	21.6
73.02937	11.6
73.15921	9.9
75.84915	12.4
84.95109	39.3
85.00446	38.6
85.02936	17.8
101.02413	15.8
104.79123	11.4
113.02434	12.8
121.71872	10.0
143.03525	11.4
158.00346	10.0
158.92503	9.9
204.96811	11.4
261.18549	35.9
279.97662	10.3
305.17786	20.6
437.22894	30.7
438.25040	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41135	1.4
57.93602	1.4
69.91832	2.1
69.92208	2.5
70.74807	1.2
78.15069	1.4
78.95911	14.1
109.54114	1.3
110.98540	10.3
116.51857	1.3
167.01123	10.5
185.02161	1.9
191.33180	1.4
269.24847	100.0
270.25146	6.7
437.26669	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18044	1.1
75.43197	1.1
78.95901	20.8
87.70155	1.3
94.98976	1.2
110.98544	10.9
137.02490	1.7
167.01161	11.6
184.91693	1.1
185.02209	2.6
191.21114	1.2
257.00009	1.3
259.37564	1.1
269.24857	100.0
270.25070	5.8
437.26642	34.0
438.26944	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71414	2.7
78.95902	16.4
78.96330	1.4
106.85747	0.9
110.98541	9.7
167.01137	10.7
185.02203	3.1
265.36978	1.0
269.24850	100.0
270.25159	7.8
371.13211	0.9
435.09726	1.0
437.26657	25.2
438.27124	2.0
446.90131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24384	1.8
70.80972	2.7
78.95909	8.8
93.73502	2.2
105.50899	1.7
106.38832	2.0
110.98533	8.2
167.01167	10.5
185.02145	3.2
186.81477	1.8
206.21701	1.8
206.52301	1.8
255.82048	1.9
269.24844	100.0
270.25146	6.0
330.40283	1.9
336.40866	2.0
368.77692	1.9
404.44839	1.9
437.26758	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38599	5.2
55.66396	5.8
59.01382	92.5
61.98836	18.6
69.03454	100.0
70.03778	15.1
71.01397	13.5
86.85500	5.5
87.00865	6.4
87.04537	6.1
89.02498	5.9
91.05505	6.4
95.44249	5.0
97.02959	19.3
99.00884	22.5
99.92617	9.2
101.02447	5.0
107.38034	5.3
119.46069	5.0
123.51433	5.9
152.37857	5.9
185.00952	51.4
186.01277	19.0
209.11847	51.6
211.13379	72.4
227.12930	25.0
293.04300	7.4
305.17697	9.4
381.01172	6.0
395.07712	21.0
438.18817	7.1
438.24576	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.9
59.59751	1.8
61.98830	18.3
71.01406	3.9
78.46012	1.8
79.95725	12.3
80.96527	4.1
85.02955	2.0
89.02440	2.8
96.96024	8.3
101.02459	3.1
103.95328	1.8
108.04565	5.6
115.85251	1.8
115.92060	2.5
116.92879	2.1
119.03396	2.0
119.04995	2.6
120.01254	3.6
147.04506	3.3
150.05621	6.6
159.34401	2.2
165.01920	2.6
177.07959	7.9
179.03494	2.2
180.04301	3.3
191.05658	5.4
192.10347	17.9
195.06625	9.9
196.07037	9.4
225.07700	3.2
226.06349	36.4
239.07101	6.6
294.21622	2.3
296.12991	2.8
298.14474	71.5
299.14667	4.2
362.42697	2.4
364.08582	3.0
378.10159	100.0
379.10660	6.8
379.19540	3.8
438.07602	3.7
438.16428	3.0
439.16583	4.0
461.66785	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.2
60.34265	0.5
61.98827	100.0
68.99584	0.4
69.11856	2.1
69.12260	1.0
71.01379	2.0
73.02953	0.8
76.33052	0.5
85.02956	1.2
88.10644	0.5
98.21770	1.0
101.02449	2.1
113.02470	0.6
138.00864	0.6
161.04578	0.9
238.71120	0.5
267.90710	0.5
289.16635	2.3
331.17633	0.6
334.16571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.2
60.34265	0.5
61.98827	100.0
68.99584	0.4
69.11856	2.1
69.12260	1.0
71.01379	2.0
73.02953	0.8
76.33052	0.5
85.02956	1.2
88.10644	0.5
98.21770	1.0
101.02449	2.1
113.02470	0.6
138.00864	0.6
161.04578	0.9
238.71120	0.5
267.90710	0.5
289.16635	2.3
331.17633	0.6
334.16571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98831	2.8
62.20857	0.7
71.01375	3.0
72.99308	2.1
79.95718	3.9
80.96515	2.7
85.02974	0.9
89.02438	1.0
95.70006	0.7
96.96010	100.0
101.02481	1.6
102.53509	0.9
122.97649	0.8
132.98215	0.8
138.97061	8.9
140.14815	0.7
182.02209	2.6
197.04530	3.9
217.00360	0.9
219.84851	0.8
222.99208	2.3
241.00233	58.6
242.00598	2.6
291.90146	0.8
318.68307	0.8
439.05457	24.5
440.05963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
50.27997	1.1
55.41964	1.2
59.01379	27.9
61.98828	7.5
69.45909	3.7
71.01377	11.3
73.02941	3.1
75.78305	0.9
80.91686	2.2
82.95393	1.0
83.01337	1.0
85.02940	3.6
87.00844	1.8
89.02452	11.8
90.02644	1.1
93.03457	2.5
96.95996	3.8
98.22614	2.4
101.02462	8.2
109.02943	4.8
113.02445	5.8
119.03487	6.3
121.02929	2.7
122.03779	8.0
134.03786	1.5
135.04474	1.3
137.02420	4.1
137.06120	1.1
143.03526	1.2
149.02438	19.7
150.03226	55.0
151.03662	1.9
161.04547	2.5
162.03175	3.2
163.03815	1.1
164.04759	5.6
165.01938	31.1
165.05566	55.3
166.05872	2.8
173.04454	2.1
177.05597	9.3
179.05605	3.4
180.04292	21.7
195.06618	100.0
196.06973	5.0
202.02483	1.4
202.47498	1.0
213.03798	1.4
217.04785	2.4
243.08841	5.7
301.07239	2.6
316.09616	1.5
331.11865	7.9
379.19839	6.3
391.13940	16.0
392.14304	1.9
401.19391	1.3
439.16513	7.9
457.87646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	31.1
61.93156	6.1
61.98835	16.0
62.76890	6.0
64.03354	5.6
69.32447	32.5
71.01388	17.8
89.02470	13.9
96.95997	9.7
99.00886	6.3
101.02445	16.3
171.54433	5.8
195.40364	5.8
221.11885	8.8
255.25563	7.0
290.69727	6.5
315.12573	5.5
378.94385	6.2
439.17242	100.0
440.17563	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01481	1.7
55.01868	2.5
59.01380	100.0
61.98831	9.4
69.69446	1.8
71.01387	62.1
71.01785	3.5
72.99324	2.0
73.02951	14.5
81.96487	1.8
82.44334	1.7
83.01393	5.4
85.02955	13.8
87.00860	3.7
88.98795	2.9
89.02449	68.1
92.16854	1.9
95.01394	4.0
96.96028	3.3
99.00877	3.6
101.02453	55.5
112.84116	1.6
113.02457	27.7
119.03503	27.2
122.03735	2.9
124.27324	1.8
131.03523	8.5
133.94144	1.9
143.03535	4.7
149.02467	3.0
149.04556	13.0
150.03239	21.0
161.04593	5.6
163.06140	27.7
165.01950	7.2
165.05573	22.6
179.05626	23.3
180.04385	4.6
191.05641	3.2
195.06642	29.0
196.06917	2.0
247.11877	41.0
248.12193	3.1
307.16754	1.8
379.16101	70.6
380.16330	3.6
439.16870	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
57.03452	3.8
58.00597	0.7
59.01381	34.2
61.98828	1.2
69.03453	1.1
69.30013	1.4
71.01385	47.0
72.01726	0.6
72.99309	1.1
73.02950	19.5
75.00877	1.0
79.87151	0.3
81.03474	0.5
83.01389	8.9
83.01888	0.4
84.02155	0.3
85.02956	23.4
86.00091	1.4
86.03307	0.5
87.00871	2.2
89.02447	11.0
95.01388	4.1
96.71205	0.3
96.96011	0.5
97.02962	1.5
99.00883	6.0
101.02448	42.2
102.02832	0.5
106.43518	0.3
111.00893	2.8
113.02457	18.9
114.02805	0.3
119.03510	1.8
125.02444	2.0
129.01967	1.4
131.03523	1.8
141.01944	0.6
143.03529	2.6
145.01440	0.4
145.12300	1.4
149.04576	1.8
159.02985	4.3
161.04567	23.9
162.04848	0.5
163.06152	1.6
171.07841	0.3
191.05566	0.5
209.33794	0.4
215.12793	0.7
233.06697	0.6
307.17627	100.0
308.17975	6.1
327.38626	0.3
347.95010	0.3
439.17444	0.9
439.21866	21.8
440.22235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
55.31046	0.4
57.03449	3.3
57.33002	0.4
58.00592	0.7
59.01382	50.7
59.36243	0.3
59.73480	0.4
59.86623	0.3
60.01709	0.8
61.98820	1.3
67.19167	0.4
69.03461	1.5
70.01435	1.1
71.01384	55.4
72.01714	0.7
72.99310	1.5
73.02950	27.1
75.00869	2.4
81.03461	1.3
82.85085	0.4
83.01389	8.2
84.02138	0.5
85.02953	23.3
85.93047	0.4
86.03303	0.5
87.00887	3.8
89.02448	26.1
90.02785	0.5
95.01390	3.7
96.05550	0.4
96.96012	0.4
97.02964	3.6
98.22598	0.5
99.00884	12.6
99.04555	1.1
99.69772	0.4
101.02450	53.2
102.02799	1.0
109.02965	0.8
111.00899	1.6
113.02450	21.5
113.09707	0.8
114.05582	0.7
115.04002	2.8
119.03518	4.9
125.02444	5.6
129.01956	1.3
131.03510	4.2
134.03732	1.0
139.28514	0.4
141.01952	0.4
141.90733	0.4
143.03511	3.5
145.01448	1.5
145.12369	1.1
149.04553	6.1
150.06876	0.6
159.02998	4.4
161.04564	21.3
162.04926	0.8
163.07631	1.8
163.59042	0.4
165.04094	0.4
179.05621	0.8
179.81273	0.4
191.05609	3.2
232.14577	1.0
233.06679	5.2
233.15442	1.8
276.13620	1.3
277.14441	3.0
293.08606	2.3
307.17627	56.9
308.18027	3.1
439.21848	100.0
440.22171	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76829	0.7
55.01872	5.6
57.03438	4.4
57.98991	0.6
58.00611	0.7
59.01377	57.2
61.38138	0.7
61.98821	2.7
67.30839	0.6
69.03451	2.2
69.23513	0.7
69.56724	1.5
69.57122	1.4
71.01381	57.4
72.01717	0.9
72.99308	2.6
73.02946	30.5
75.00868	1.8
78.95926	0.9
83.01391	10.5
85.02947	26.0
87.00849	3.5
88.98802	0.8
89.02444	27.2
93.03440	0.9
95.01375	4.5
96.96017	1.4
97.02944	3.3
99.00883	16.2
99.04514	1.1
101.02444	51.5
102.02789	1.0
103.00403	0.7
111.00832	1.1
113.02449	24.2
113.09702	0.8
114.05598	0.8
115.04004	1.5
119.03498	5.1
124.26526	0.6
125.02461	3.9
128.03595	0.8
129.01952	1.2
131.03487	2.4
134.03731	3.1
135.04504	1.4
143.03473	2.6
144.03108	1.2
144.69235	0.8
145.01416	2.7
145.12338	1.5
147.06638	3.6
147.95728	0.7
149.04565	3.4
159.03000	5.0
161.04562	21.8
161.08165	0.8
162.04816	0.9
163.07680	4.2
165.04068	2.0
178.02751	1.0
179.03542	0.8
185.00969	1.0
191.05643	2.8
232.14752	1.8
233.06665	2.1
233.15405	4.5
241.23386	0.7
275.09445	1.0
276.13657	3.6
277.14386	4.8
293.09998	0.7
307.17615	51.4
308.17877	3.2
337.09595	1.0
357.88971	0.8
362.10077	0.7
379.10870	0.9
439.21823	100.0
440.22086	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80288	0.2
51.04725	0.2
55.01883	1.0
57.03445	0.9
58.00609	0.2
59.01377	100.0
60.01717	0.6
69.03423	0.2
69.43819	0.6
69.99432	0.2
71.01382	11.9
73.02946	5.4
75.00895	0.2
75.93645	0.2
83.01390	1.7
83.05023	1.7
84.76768	0.2
85.02950	6.7
86.00140	0.2
87.00900	0.6
89.02443	3.5
95.01386	1.2
97.02931	0.2
99.00874	1.4
101.02442	7.6
113.02444	5.3
117.07746	0.2
119.03502	1.4
125.02446	0.3
129.01974	0.2
143.03528	0.6
143.86595	0.2
149.04605	0.2
159.03065	0.5
161.04553	3.2
179.05679	0.4
235.17026	0.9
273.73889	0.2
379.21140	1.8
397.22275	11.6
398.22565	0.8
409.39392	0.2
409.93826	0.2
439.23639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01376	0.9
61.98831	1.1
67.38304	0.7
69.03464	0.7
69.15223	2.7
69.15623	1.6
78.81710	0.6
83.05037	1.0
95.04981	1.1
99.51063	0.6
111.08163	1.8
129.86786	0.9
163.11266	0.8
165.12837	18.9
166.13185	1.0
171.10234	1.7
183.13895	69.4
184.14232	3.1
209.11852	3.5
211.13399	10.8
222.31087	0.6
227.12895	100.0
228.13220	5.5
249.14890	1.9
315.26944	8.3
316.27255	0.8
333.28009	1.6
341.24652	3.2
359.25894	7.4
377.26929	16.7
378.27432	1.4
379.08310	0.8
395.28003	9.3
396.28174	1.2
403.24918	1.1
421.25793	3.7
439.21030	1.5
439.26956	22.4
440.27249	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	0.9
59.01379	27.7
61.98831	100.0
64.86253	0.4
69.77522	0.4
71.01388	2.2
73.02951	1.4
78.20971	0.5
83.01453	0.6
85.02948	0.8
93.43082	0.6
94.71700	0.5
96.04592	0.6
101.02448	2.6
108.83640	0.5
111.40466	0.5
113.02489	1.3
116.92904	0.6
123.90334	0.4
141.43510	0.5
169.08713	0.8
245.19414	0.6
280.89444	0.5
291.18201	2.1
333.19302	0.7
361.20496	0.6
362.20776	0.9
415.12436	0.5
440.26669	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38033	3.2
59.01375	100.0
69.39197	6.3
69.39576	6.1
71.01369	8.5
79.84396	3.2
79.94086	3.5
83.05064	2.5
87.00844	4.6
89.02452	3.4
101.02436	4.2
113.02434	4.8
117.02517	3.2
119.98140	2.7
127.07664	3.7
127.52135	2.8
132.06595	3.7
165.12852	11.4
183.13960	4.4
185.09329	3.4
200.30695	2.6
209.11653	3.5
227.12939	5.0
291.65036	3.2
293.21143	13.9
333.20691	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.6
61.98822	3.3
69.54739	9.8
71.01380	5.6
73.02937	5.3
84.86690	2.7
89.02441	4.3
94.02171	2.5
96.95997	5.4
101.02471	4.3
138.03206	4.6
142.10632	2.7
151.03996	7.9
153.01909	9.5
153.05579	3.8
167.03488	12.0
168.04214	4.6
181.05116	3.8
182.02277	6.7
182.04471	2.3
183.06606	10.5
197.04482	16.0
217.00233	5.5
243.08644	14.3
280.37238	3.0
405.13983	100.0
406.14404	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03880	0.4
59.01379	100.0
59.32259	0.3
60.01712	1.5
61.98830	1.9
70.66468	0.6
71.01382	8.2
71.95805	0.4
73.02947	12.4
83.01361	2.4
85.02974	2.0
87.00873	0.6
89.02457	2.7
99.92622	0.8
101.02449	8.6
113.02440	5.5
113.03214	0.4
113.03600	0.8
114.01995	0.7
115.92077	0.8
116.92888	1.8
119.03508	0.8
131.03549	0.9
131.04662	1.6
143.03535	0.9
161.04601	1.0
181.69562	0.4
201.13689	0.4
274.44095	0.4
309.20770	0.5
441.27237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03423	0.3
59.01377	100.0
60.01715	0.9
61.98832	2.0
71.01378	5.4
71.42861	0.3
73.02953	1.8
83.01397	0.7
85.01772	0.3
85.02960	2.5
87.00891	1.2
89.02450	3.4
95.01418	0.7
96.95998	0.3
99.00872	0.5
101.02442	3.1
113.02435	3.0
119.03503	1.2
127.07722	0.3
134.66147	0.3
153.80630	0.3
159.03122	0.3
161.04556	1.8
165.12901	0.8
171.54173	0.3
209.11812	0.3
209.97952	0.3
235.37682	0.3
241.14514	0.9
253.14491	0.4
277.14816	0.4
293.21219	2.6
333.20850	0.9
351.17880	0.6
399.23853	0.7
434.26642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.12457	0.8
61.98841	0.9
69.81882	0.8
70.99796	1.1
71.01381	16.7
73.02946	39.5
83.01376	6.0
85.02960	3.3
87.00883	2.5
87.54919	0.7
89.02440	6.3
92.92813	0.7
93.82920	0.8
93.95931	0.7
95.01393	1.5
97.02967	0.9
97.34029	0.7
99.92596	1.4
100.93334	1.1
101.02442	24.3
105.31882	0.8
107.63624	0.7
113.02454	8.1
115.92082	0.9
116.92860	2.4
119.03489	1.9
123.39122	0.8
125.02467	1.1
130.94203	0.8
131.03473	1.5
143.03537	1.8
161.04584	2.8
174.78763	0.8
230.52823	0.8
293.21283	5.7
348.74704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04155	0.4
55.01875	0.7
56.13634	0.3
57.03442	0.4
59.01379	100.0
60.01726	0.7
61.89337	0.3
69.49091	0.3
69.49418	1.5
69.84612	0.4
71.01384	6.0
73.02961	1.8
83.01399	0.9
85.02953	3.1
89.02443	1.0
95.01444	0.6
99.00881	0.9
101.02433	3.9
113.02435	2.6
114.38239	0.3
119.03542	0.5
120.60183	0.3
131.63416	0.3
159.02995	0.5
161.04573	2.7
256.42886	0.4
297.56668	0.4
351.17767	0.8
369.18695	1.6
399.23868	1.8
438.31732	0.4
441.16852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03445	0.2
59.01377	100.0
60.01712	0.7
69.23953	0.7
70.36309	0.1
71.01381	5.0
73.02943	2.1
83.01403	0.4
85.02956	1.4
87.00862	0.2
89.02440	2.7
95.01400	0.6
101.02446	2.7
113.02452	3.1
119.03498	0.9
125.91409	0.1
131.03525	0.2
133.09261	0.1
143.03508	0.3
161.04588	0.6
179.05640	0.3
195.47603	0.1
195.79218	0.2
218.10382	0.1
333.20856	0.2
381.22739	0.7
399.23831	1.7
400.24500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03448	0.2
57.88044	0.3
59.01379	100.0
60.01711	0.7
61.98831	3.1
69.51517	0.5
69.51902	0.3
71.01386	4.4
73.02945	1.7
75.00882	0.2
77.87240	0.2
83.01400	0.8
85.02948	2.3
87.00905	0.2
89.02456	1.7
95.01388	0.4
99.00904	0.4
101.02450	2.4
113.02457	2.4
113.03210	0.2
113.03594	0.4
119.03515	0.5
125.02420	0.2
131.04601	0.5
133.12784	0.2
143.03514	0.3
161.04564	1.2
179.05707	0.3
195.06625	0.3
315.47522	0.2
399.24139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98829	100.0
69.46060	1.1
71.27748	0.2
85.10854	0.2
87.00909	0.3
99.92650	0.3
207.00314	0.3
261.05615	0.4
273.05444	0.2
289.05136	0.8
290.05884	0.8
293.21249	0.6
304.03729	1.1
304.07059	0.4
305.04562	0.4
305.08200	0.3
319.06003	1.7
320.06677	0.5
364.05746	0.4
366.07712	0.3
379.08234	5.1
379.12964	0.4
380.08475	0.4
442.17569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.66418	3.7
60.01715	8.5
61.98827	12.7
70.18053	3.8
71.01374	14.9
73.02948	8.4
78.82692	3.5
83.01421	4.6
85.02924	8.1
89.02464	5.0
97.85619	3.8
98.22619	7.4
99.21263	4.2
101.02457	14.2
113.02459	5.0
116.92870	7.3
161.04590	13.4
182.83693	4.2
223.84926	4.6
248.03381	4.1
273.77786	3.7
399.23877	9.4
430.14841	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09197	17.7
51.45686	17.9
57.15702	19.3
59.01389	100.0
61.98827	57.1
69.77833	38.5
69.78209	31.8
71.01384	46.3
75.31193	22.4
91.77267	16.7
121.11485	19.0
131.04593	25.7
161.04601	23.6
349.56897	18.1
434.40921	23.4
442.08228	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.15632	15.4
61.98813	34.3
62.90196	13.2
69.07964	32.5
69.08367	64.0
71.01376	42.7
89.02441	42.8
96.96005	40.1
98.21861	32.1
99.92598	14.3
104.93591	14.3
107.32563	15.0
111.94512	14.6
149.04388	14.3
150.04124	20.4
153.60747	13.5
288.54858	16.9
294.21741	17.5
314.84448	14.4
315.77377	14.0
327.21820	15.0
332.39233	14.7
443.16705	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13594	18.2
57.99956	20.6
59.01368	100.0
60.75353	19.7
68.40665	22.2
71.01365	43.2
88.24754	18.2
89.02442	61.8
94.64462	19.6
98.22594	61.1
101.02470	46.0
244.89465	20.4
283.16278	19.8
333.26657	20.2
399.23676	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
58.02962	3.0
59.01379	4.1
69.03395	0.7
71.01382	27.4
71.04986	0.7
83.05054	1.4
85.02422	0.8
85.02944	2.5
88.04042	57.0
95.05051	1.2
96.99303	0.9
97.06615	4.8
109.06605	0.6
111.00969	0.7
111.49076	0.7
115.00378	15.9
116.92853	0.8
125.09712	1.6
132.03030	4.0
134.03845	0.9
141.19437	0.8
151.11302	0.8
152.10785	1.2
155.10651	0.7
164.63138	0.6
165.12872	1.0
170.11902	1.5
171.10281	2.2
180.14008	1.1
182.15463	2.3
183.13913	1.1
192.13928	1.5
193.12299	1.0
209.11876	1.1
210.14972	9.1
211.13373	6.2
220.13454	1.5
221.11798	1.2
228.16032	3.6
229.14500	3.9
235.01805	0.8
238.14470	2.2
239.12732	0.9
280.03186	0.7
290.21277	3.5
291.19708	1.0
326.23395	5.1
327.21744	23.7
328.21942	1.8
366.07010	1.5
398.25464	6.5
406.21616	2.1
424.23151	1.2
442.24405	100.0
443.24680	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98828	35.2
70.30363	14.4
71.01389	22.8
73.02953	10.7
89.02448	12.2
101.02447	18.0
113.02472	10.9
115.92075	7.4
116.92873	14.9
117.92863	8.6
119.03434	7.1
130.08797	11.5
162.80173	6.9
211.13455	8.0
221.15479	15.3
239.16643	10.9
383.21204	13.4
401.21887	20.3
437.04019	9.1
442.14139	8.7
442.28326	11.6
443.22879	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1478
Annotation	tetracycline zwitterion
Peak:m/z	Relative Intensity
59.01363	84.4
61.98838	40.9
62.06128	17.7
68.25977	20.7
71.01370	38.5
71.43478	25.8
73.02899	21.6
85.54964	20.9
99.92576	50.5
100.93346	35.4
101.02419	23.2
115.92074	37.4
116.92873	100.0
198.38489	23.9
217.77402	22.7
443.14539	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61689	1.2
53.34057	1.1
55.01875	4.8
57.03441	5.0
58.00607	1.2
59.01381	100.0
61.98828	7.7
64.68547	1.2
69.03457	3.8
69.46278	1.1
71.01385	46.8
71.04994	1.2
72.99300	4.1
73.02950	19.9
75.00915	1.5
77.60355	1.2
81.03440	2.2
83.01398	10.1
85.02953	32.8
85.82922	1.1
87.00879	10.3
87.04493	1.2
89.02443	7.5
89.78783	1.4
93.03481	2.0
95.01397	5.9
97.02960	9.7
99.00871	11.4
101.02444	33.2
109.02962	3.5
111.00876	4.4
111.04533	2.2
112.01656	3.5
113.02452	45.5
115.04019	2.5
123.04558	1.2
125.02447	5.2
128.03543	1.9
129.01941	1.3
133.05028	1.2
134.03802	1.6
137.02460	4.5
137.56310	1.1
139.04019	1.7
140.04776	1.3
143.03517	6.8
155.03485	1.3
159.02988	4.2
160.01619	1.7
161.04549	17.2
173.04550	2.4
175.03981	1.7
185.52840	1.2
187.06142	2.0
203.07176	2.1
215.05557	1.7
221.11856	3.6
228.74963	1.1
257.06656	1.3
269.10330	20.8
270.10587	1.7
311.11459	5.9
351.21301	1.3
383.13507	41.9
384.13892	3.3
401.14539	81.6
402.14679	6.2
443.15411	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47414	0.7
55.01874	2.7
57.03443	1.4
57.13792	0.5
59.01380	100.0
60.01703	0.9
62.02853	0.7
69.34869	1.8
71.01382	31.8
72.01699	0.6
73.02949	21.6
73.94739	0.6
76.96354	0.7
81.03429	0.7
83.01378	5.7
85.02951	16.4
87.00914	1.3
89.02456	6.4
95.01405	2.3
97.02962	2.0
98.21823	0.9
99.00884	8.4
101.02445	27.2
107.05015	1.0
112.01699	1.4
113.02448	15.5
123.93056	0.6
124.01604	0.6
125.02444	1.7
131.03526	1.9
143.03505	2.4
152.71648	0.6
156.42195	0.6
159.02980	3.7
161.04544	14.8
166.51183	0.6
176.63875	0.7
176.72086	0.7
203.07162	1.2
221.11929	0.8
251.09242	2.7
269.10294	24.8
270.10648	1.2
311.11404	6.7
351.98050	0.6
383.13644	1.3
385.77710	0.6
401.14511	42.1
402.14810	3.4
443.15579	48.1
444.16165	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05910	0.3
55.01873	2.6
57.03445	1.9
58.00597	0.4
59.01378	100.0
59.80210	0.3
60.01705	0.7
69.03455	0.7
69.46075	0.9
71.01379	32.2
72.01751	0.3
72.99309	0.6
73.02946	19.6
75.00869	0.5
81.03492	0.6
82.95421	1.2
83.01393	5.3
85.02947	15.3
86.00093	0.5
87.00880	1.4
89.02441	5.9
95.01375	2.5
96.96019	0.8
97.02959	1.6
99.00871	8.0
101.02442	27.8
107.04996	0.9
108.68703	0.3
111.00869	0.5
112.01678	0.8
113.02453	14.0
113.03255	0.7
125.02447	2.1
129.01935	0.8
131.03487	1.6
135.04529	0.4
143.03444	2.6
159.02982	3.4
160.01657	0.6
161.04555	15.8
174.94415	0.4
175.04025	0.7
179.10815	0.5
191.05611	0.7
203.07201	1.6
221.11818	1.7
239.12955	0.4
251.09219	2.8
269.10297	22.2
270.10739	1.3
311.11365	5.5
383.13507	1.5
401.14496	38.7
402.14838	2.9
443.15555	41.8
444.15836	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	13.8
70.90941	2.3
71.01382	49.2
72.99292	3.1
73.02950	2.9
80.71481	2.2
85.02953	10.3
87.00859	4.4
89.02444	66.2
95.04404	1.7
95.05089	2.4
98.61318	1.8
99.04530	8.0
99.92553	2.4
101.02439	25.2
102.22102	2.3
107.05029	4.9
113.02445	19.3
113.06051	2.6
115.92065	2.5
116.92846	6.4
119.03504	28.5
122.25784	2.0
130.69102	1.8
139.07643	3.8
139.99959	1.9
143.03514	4.9
149.04549	5.1
161.04536	2.4
161.09746	1.7
179.05620	5.7
185.09723	2.8
187.11287	41.2
188.11591	2.1
219.13928	14.3
231.10251	3.3
263.12860	33.2
264.13022	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.61986	1.3
53.12832	1.3
55.01873	3.2
57.03451	3.2
59.01384	57.7
61.98839	12.4
62.86807	1.4
70.57800	1.3
70.58124	1.6
71.01384	31.6
72.99332	1.9
73.02948	4.9
73.32146	1.5
82.95449	1.2
83.01398	4.3
85.02955	20.2
88.98815	2.6
89.02444	18.0
89.78536	1.3
91.87187	1.3
93.03436	1.8
95.01394	2.2
96.96011	5.7
97.05932	1.5
99.00878	10.7
99.92621	1.5
101.02440	25.5
103.04002	3.1
113.02476	11.0
116.03531	5.3
116.92840	3.7
119.03490	9.1
128.03511	1.6
134.03700	1.6
135.04564	2.5
145.66589	1.5
147.06638	50.3
147.07817	2.4
149.02446	1.4
152.06267	1.2
163.02805	2.5
173.04517	3.8
179.03496	2.1
189.12828	2.1
191.05661	1.8
193.05051	2.6
223.06108	1.3
270.05029	1.5
313.10822	1.2
353.08911	1.6
443.19223	100.0
444.19385	9.1
459.24457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85697	0.5
59.01371	8.6
61.98835	1.1
69.03455	0.7
69.42482	0.5
69.94243	1.3
69.94574	0.5
71.01382	0.7
71.63093	0.5
74.54156	0.5
81.46860	0.5
83.05020	0.6
87.94334	0.7
93.03453	1.9
96.96023	1.0
99.92522	0.5
109.06564	0.6
119.05020	1.2
121.02946	3.1
121.06600	0.6
125.09756	1.1
133.06583	1.0
134.17389	0.5
135.04578	0.6
139.11331	0.6
165.12718	0.6
171.10266	6.2
185.13358	1.8
186.14110	0.7
187.14885	1.8
193.08421	3.7
201.12834	1.2
203.14357	5.1
205.15915	1.3
207.10042	2.1
221.11714	0.7
231.09972	1.0
233.11591	1.9
241.12083	0.6
249.14915	1.7
253.12053	9.9
255.13661	10.2
256.14066	0.9
257.11679	1.0
259.13150	2.1
269.11563	1.9
271.13138	18.2
272.13367	1.0
273.14771	2.9
285.25647	0.7
313.07013	0.6
313.25336	1.6
369.24261	0.6
381.24054	0.7
397.23325	0.6
399.25119	1.6
407.21786	1.4
415.24503	1.5
425.23026	15.7
426.23486	1.4
443.24109	100.0
444.24460	10.9
448.10352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29835	0.7
53.57850	0.7
57.89275	0.7
74.99062	1.5
93.00089	1.2
109.77296	0.7
159.08490	4.8
161.06418	1.8
161.89400	0.8
214.93176	0.7
217.07158	1.3
275.06003	1.2
277.07523	3.7
295.22369	0.7
343.12021	1.5
345.13760	2.2
357.13861	3.8
359.15341	100.0
360.15518	13.9
425.20026	1.9
427.21600	50.3
428.21649	8.0
443.24716	9.6
444.25128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18616	0.7
51.67252	0.8
55.94993	0.8
57.95664	0.7
68.17401	0.6
70.96562	0.9
74.72695	0.7
74.99074	1.1
93.39427	0.8
102.91665	0.7
111.70751	0.8
112.71219	0.8
117.65428	0.7
121.42025	0.8
122.93223	0.7
159.08466	5.3
161.06363	1.0
172.25839	0.8
175.75334	0.7
217.07256	1.3
240.71263	0.7
277.07446	2.9
293.76215	0.8
343.12006	1.4
345.13837	1.6
357.13770	3.4
359.15335	100.0
360.15445	10.5
403.25717	0.7
425.19855	1.8
427.21555	50.6
428.21719	6.8
443.24759	11.5
444.25055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98822	2.4
63.59337	1.1
69.92891	3.3
85.20766	1.0
91.04022	2.4
93.03485	2.9
96.96014	13.0
97.06525	1.2
111.08163	2.1
118.99879	1.1
121.72242	1.0
171.10289	6.1
185.13306	1.6
187.14914	2.3
193.08406	3.4
197.11867	3.8
203.14458	3.6
207.10190	2.7
211.13397	1.3
213.08733	1.5
230.95351	1.1
233.11560	2.2
243.13783	1.4
249.15022	1.2
253.12115	7.0
255.13670	9.6
259.13220	3.4
269.11627	2.2
271.13107	13.7
273.14716	2.4
291.19702	3.2
309.20697	8.7
407.22128	1.9
408.13034	1.3
408.19785	1.3
415.24548	2.9
425.23071	14.6
426.23236	1.6
443.24127	93.1
444.24423	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03437	0.5
59.01377	100.0
60.01711	0.7
61.98832	0.9
71.01379	7.4
73.02946	1.9
83.01395	1.1
85.02956	4.0
89.02450	0.8
95.01385	0.5
97.80907	0.3
99.00881	1.3
101.02433	3.4
109.61150	0.3
113.02447	3.0
117.56677	0.3
119.03493	0.3
124.95642	0.3
159.02982	0.5
161.04555	3.1
179.84218	0.4
180.36331	0.3
262.25519	0.3
401.25430	2.6
402.25839	0.4
413.05298	1.1
443.09839	3.4
444.10300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17923	0.2
59.01377	1.5
61.98828	100.0
69.54082	0.6
69.54443	0.3
71.01407	0.2
78.31940	0.2
85.02980	0.2
96.94386	0.2
98.22587	0.3
99.92569	0.2
102.65460	0.2
111.44487	0.2
137.10649	0.2
213.95454	0.2
226.14040	0.2
236.89381	0.2
250.06433	0.2
272.93909	0.2
292.07379	0.3
293.08304	0.4
307.10172	0.2
330.71036	0.2
331.83487	0.2
336.02405	0.2
366.07465	0.3
381.09772	1.5
382.10184	0.2
399.56482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.3
58.00585	2.2
59.01378	100.0
61.98837	2.2
69.58809	5.6
71.01381	62.3
73.02930	10.5
74.02494	1.6
80.26058	1.4
83.01384	4.1
84.64523	1.4
85.02952	14.8
87.00898	4.0
88.04102	1.8
89.02445	69.9
93.03473	4.3
95.01376	2.5
97.02964	1.4
99.00894	4.3
101.02437	40.4
109.02952	5.1
113.02447	26.9
119.03496	33.8
125.06081	2.2
131.03467	3.6
143.03476	7.5
145.06578	2.8
149.04552	3.4
149.06076	4.2
151.07657	2.4
151.43204	1.5
153.09270	1.5
159.02963	3.0
161.04536	18.7
161.09694	7.0
163.07698	3.5
167.07034	1.8
170.07396	4.3
173.71725	1.5
179.05603	17.0
179.10704	7.3
185.09703	6.9
185.33575	1.5
188.08414	9.0
194.27585	1.7
203.10776	24.2
206.09373	3.5
221.11797	30.2
222.12253	2.3
269.10358	4.8
280.67722	1.6
297.63879	1.6
330.06567	1.6
383.17096	7.8
401.14066	19.9
401.18481	4.6
410.77643	1.6
444.24887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19216	21.0
59.01374	100.0
61.98833	96.5
69.31785	76.8
71.01336	28.6
85.02954	43.8
86.19782	20.5
94.55455	21.4
101.02430	31.0
102.60749	19.5
113.02438	21.8
121.02969	63.5
127.12251	20.9
146.42914	19.8
159.73753	19.0
161.04559	45.2
225.05473	23.4
228.46632	22.6
231.05141	20.8
340.54745	27.4
397.05173	61.4
412.07803	50.4
445.11346	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69038	0.6
59.01376	1.8
68.99817	1.0
71.01376	0.8
72.96868	0.7
74.43706	0.8
74.61137	0.6
79.95760	3.1
88.04045	0.6
98.22622	1.6
110.37141	0.8
113.02379	0.7
132.73232	0.7
150.97171	0.8
220.05348	3.3
232.05318	1.9
233.06012	1.2
236.04636	0.8
247.04161	0.8
247.07605	2.7
248.02264	1.2
248.04761	14.0
251.07025	1.0
260.04715	1.0
261.05469	1.6
262.06271	1.6
262.09952	1.2
263.07150	6.2
264.04230	6.2
275.07175	3.0
276.04309	8.0
277.04913	1.4
277.08640	1.6
278.09457	3.2
279.06833	0.8
290.06082	1.5
290.09512	1.8
291.06656	13.2
291.09897	0.6
292.03781	20.5
292.06961	1.4
293.04178	1.9
294.05371	1.3
302.02008	0.8
305.08194	1.3
306.05292	2.7
306.08981	9.4
307.06088	17.0
307.09500	1.2
308.06488	0.9
320.03290	9.1
320.06754	1.3
321.03854	1.4
321.07651	14.4
321.11154	1.2
322.07959	1.2
335.05585	49.0
336.06061	4.1
349.07159	1.4
350.07928	84.5
351.08258	7.3
365.10263	100.0
366.10666	7.8
444.26355	0.9
445.05954	95.3
446.06387	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1137
Annotation	Cytisoside
Peak:m/z	Relative Intensity
55.87921	0.2
57.44651	0.3
59.01377	5.4
61.98829	4.7
70.16181	0.6
71.01369	0.8
89.02436	1.0
93.03450	2.7
94.39403	0.3
98.22681	0.3
101.02425	0.4
113.02458	0.5
117.03452	5.8
119.03462	0.5
120.02209	0.3
121.02927	0.6
124.48653	0.3
145.02971	0.2
148.01645	0.8
149.02425	0.6
159.04434	0.4
161.02438	1.7
162.03244	0.3
163.00339	0.6
163.03993	1.6
164.01128	0.7
173.22867	0.2
175.00363	1.3
175.02469	0.3
175.03964	0.4
177.01883	1.7
178.99843	3.0
179.10648	0.3
185.02365	0.3
187.04039	0.5
190.02731	0.9
193.01433	0.3
195.04422	0.3
195.44511	0.3
197.11940	0.3
205.05029	2.7
207.03041	0.6
216.00615	1.8
218.02361	0.3
225.05571	0.6
231.02956	2.2
232.03625	0.3
239.03397	0.3
241.10762	0.4
245.00996	0.3
247.06001	0.4
251.03458	0.3
253.04988	1.2
254.05823	1.0
267.06720	0.5
268.03790	2.2
269.04526	5.9
270.04968	0.4
281.04535	8.2
282.05316	26.8
283.05856	2.4
293.04587	4.0
294.05048	0.5
295.02435	5.9
295.06039	2.9
296.06833	0.3
297.04022	48.2
298.04474	2.8
307.06116	0.3
309.03970	1.3
310.04889	1.6
311.05548	1.4
314.04337	3.0
323.05710	1.9
325.07144	12.8
326.07462	0.9
327.05127	0.6
327.08713	0.9
339.04953	0.6
341.06458	0.3
355.08191	0.5
401.12515	1.5
424.26416	0.3
445.11371	100.0
446.11679	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35709	2.5
53.43080	2.2
59.01377	22.3
61.81581	2.3
61.98833	9.9
66.91013	2.3
71.01391	8.3
73.02937	4.1
85.02965	4.3
87.50942	2.2
89.02443	5.0
96.96015	11.2
101.02464	5.9
108.02161	4.5
111.10899	2.4
115.77322	2.3
119.03462	3.0
121.02953	3.5
126.37804	2.6
128.03555	3.3
135.04533	3.0
136.17220	2.3
146.98929	2.9
149.02449	47.1
149.06042	3.2
151.04002	60.8
152.01213	3.3
164.04774	60.5
165.05107	3.0
167.51111	2.2
175.67825	2.1
179.07130	21.3
193.01456	5.6
203.03683	2.3
208.03848	17.9
219.04968	2.4
221.02647	3.1
223.06104	100.0
224.06624	3.4
281.16159	3.1
287.15375	2.5
427.22055	3.3
445.13446	12.9
445.19855	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1867
Annotation	Maoesin D
Peak:m/z	Relative Intensity
50.23093	0.2
59.01377	100.0
59.63276	0.2
60.01710	0.8
61.98827	0.8
69.77950	0.4
71.92912	0.2
78.91883	0.2
93.03462	0.5
96.96018	0.6
98.22578	0.4
108.02144	0.3
109.02960	0.6
121.02953	5.4
122.03741	1.4
123.04531	0.7
134.03685	0.2
135.04552	0.4
145.06598	0.4
146.03743	0.6
147.04520	1.6
149.06013	0.2
151.08896	0.2
159.04515	0.8
160.05304	0.4
161.06116	0.7
165.05521	0.4
172.05272	0.3
173.06084	1.0
174.06883	2.0
191.07167	0.6
195.35860	0.3
205.08736	0.3
207.10318	0.3
249.11273	0.9
254.11986	0.2
270.09055	0.4
295.09921	0.2
310.12042	0.9
313.14447	0.4
325.14401	1.5
328.13144	3.0
329.13345	0.3
343.15506	4.1
343.19629	0.2
361.16656	0.7
370.14160	0.8
385.16534	9.7
386.16818	0.9
403.17557	2.4
404.17792	0.2
430.16306	1.9
445.18631	27.4
446.18924	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61869	0.4
57.03450	3.1
59.01377	100.0
60.01704	1.0
61.98830	3.1
69.13474	0.9
69.13889	1.8
71.01382	7.7
72.99288	0.4
73.02968	1.4
79.95750	0.5
83.01379	0.6
83.05047	1.4
85.02962	2.1
85.61250	0.4
87.00882	0.6
88.85210	0.4
89.02441	10.8
93.03528	0.4
95.01409	0.8
96.95997	3.8
99.00943	0.7
99.04527	1.9
101.02448	6.5
113.02450	3.7
119.03502	4.4
127.04079	0.4
143.03456	0.7
147.04558	0.8
149.06114	1.0
157.03008	0.6
158.03732	3.4
158.04663	0.3
159.03172	0.7
159.04501	6.5
159.05740	0.5
161.04524	2.5
163.11371	0.4
165.09198	13.9
165.13893	0.4
166.09651	0.7
179.05591	3.2
179.10863	1.2
187.11285	0.5
203.03485	9.8
204.03856	0.6
205.12262	2.2
209.11868	1.0
223.13408	5.3
241.00209	5.4
245.12483	0.4
247.13518	0.6
265.14523	0.6
269.04691	0.6
354.36539	0.5
365.05890	0.4
385.18854	0.9
401.05463	3.3
427.03394	1.1
445.04108	2.7
445.21249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	0.8
69.66090	0.6
71.01379	16.1
76.83033	0.6
83.01427	0.9
83.05048	2.1
85.02961	2.8
87.00853	1.2
89.02444	27.4
95.01380	0.9
101.02444	8.6
113.02464	7.3
119.03497	12.6
131.03531	1.2
143.03542	2.7
149.04575	1.0
161.02490	1.1
161.04535	4.7
164.11792	0.6
178.07809	0.8
179.03702	1.0
179.05608	19.1
209.08253	2.9
244.50038	0.6
346.04495	0.6
387.16513	1.3
403.20087	0.8
445.12076	1.6
445.21317	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
71.04794	0.6
78.95902	12.4
80.69870	0.5
82.66671	0.5
88.29802	0.4
104.91428	0.4
104.97428	0.5
110.98530	10.0
118.98418	0.4
167.01144	9.4
185.02177	4.1
247.70264	0.4
259.20718	0.7
277.21719	100.0
278.22049	7.8
336.12943	0.4
445.23590	19.9
446.23996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
62.91713	0.4
67.61692	0.4
69.94724	1.3
78.95902	15.3
98.22484	0.8
104.97510	0.7
110.98525	12.7
133.07271	0.5
137.00029	0.5
154.16786	0.5
167.01141	14.8
185.02194	3.3
210.89729	0.5
233.22740	0.4
259.20642	0.6
277.21716	100.0
278.22043	7.1
279.77835	0.5
347.70993	0.5
445.23590	25.2
446.23819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
70.94510	0.7
78.95902	16.4
110.98524	9.7
120.16441	0.5
134.16997	0.5
167.01135	12.7
185.02182	3.9
249.15071	0.4
259.20508	0.5
277.21707	100.0
278.22018	6.8
386.37231	0.5
409.72882	0.5
445.23584	20.8
446.23996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75088	1.0
59.01378	100.0
60.01729	1.0
61.98832	3.2
67.73141	0.8
68.99562	1.0
69.52056	3.7
71.82894	0.9
75.79790	1.0
76.46954	0.9
77.07746	0.9
91.04053	1.2
94.92503	1.4
96.96030	5.9
97.59112	0.9
109.02930	5.1
124.01664	2.8
132.90363	1.0
137.02487	1.3
139.04016	4.4
211.13452	1.7
233.11609	3.5
311.22290	10.1
326.94135	1.1
335.04483	1.0
385.13486	1.9
445.22656	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	37.6
60.59449	8.5
61.98830	100.0
63.99257	14.9
71.01412	11.2
95.16544	9.4
96.96024	23.9
99.92590	31.3
115.92110	10.7
140.57375	9.6
163.94165	9.9
209.11850	12.1
210.12236	13.9
213.14891	13.9
232.10713	9.4
446.02289	13.1
446.25955	15.5
447.26184	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1818
Annotation	Naamidine G
Peak:m/z	Relative Intensity
59.01372	1.2
101.16983	0.3
106.04250	1.6
107.05025	12.7
108.02193	0.8
121.02979	0.6
135.04514	0.5
143.51122	0.3
147.04584	0.5
149.06047	0.3
152.01178	1.4
153.01883	0.5
160.04054	3.8
161.04828	6.9
162.05585	2.6
174.05608	1.1
175.02696	0.4
176.07159	24.3
177.07454	0.8
178.05066	0.8
178.08693	0.7
190.05113	0.5
194.08189	0.9
220.06039	0.5
284.12906	100.0
285.13239	7.4
446.18063	0.7
447.11658	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.94743	14.1
71.01379	62.6
85.02950	14.7
85.19855	7.6
89.02448	98.6
101.02441	38.5
113.02456	27.6
113.03227	8.5
119.03500	45.0
119.04208	9.0
143.03519	10.9
161.04564	20.3
179.05624	59.5
180.43190	7.3
262.84232	9.4
327.31348	8.7
403.19684	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65034	1.1
55.01876	2.1
57.03446	1.9
59.01382	100.0
60.01720	1.9
61.98816	1.5
70.50108	1.5
71.01382	29.6
72.71220	1.3
73.02948	10.6
76.23760	1.2
80.19455	1.3
80.63498	1.0
83.01389	4.6
85.02943	11.7
89.02459	23.4
93.49652	1.1
95.01389	1.5
99.00860	2.1
101.02440	40.4
101.06078	4.8
113.02447	13.2
119.03530	9.3
123.04518	4.5
135.08148	1.3
143.03520	3.1
149.02257	1.2
149.04527	1.6
155.62199	1.0
159.78061	1.2
161.04543	9.7
179.05597	8.2
197.11848	1.5
211.09866	1.5
225.07661	4.4
241.14438	9.1
269.10248	1.8
285.03912	1.7
387.20236	6.9
401.14499	12.1
403.19742	60.1
404.20001	4.7
447.09445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62413	0.8
55.01859	2.0
57.03426	2.1
58.00586	1.5
59.01378	100.0
60.01706	3.4
61.98807	2.9
62.99438	0.9
69.56903	3.3
71.01381	36.8
72.01723	1.0
73.02941	9.6
76.59225	0.9
78.77615	0.8
81.26199	0.8
83.01380	4.5
85.02955	11.9
85.24712	0.8
87.00866	2.1
89.02449	23.5
90.02769	1.3
95.01389	1.9
96.96019	1.9
97.02976	1.4
99.00877	3.7
101.02438	30.0
101.06086	5.9
102.02780	1.3
113.02449	17.3
119.03503	10.8
131.03461	1.6
143.03482	4.4
159.02960	2.8
161.04556	28.5
179.05573	8.6
197.11649	0.9
198.11534	0.8
205.12247	1.9
241.14442	11.2
284.13010	1.2
387.16135	1.4
388.16736	1.0
401.14563	1.4
403.19733	51.7
404.19992	4.8
429.13245	1.7
442.63681	0.9
446.20224	0.9
459.29929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19778	1.0
59.01382	6.4
61.98827	40.0
67.15740	1.0
67.81196	1.0
78.92892	1.1
78.95906	37.7
96.09296	0.9
96.96008	1.4
96.96951	2.2
133.02982	1.1
147.51596	1.1
149.00087	15.8
152.99571	7.3
158.92508	1.6
179.01190	2.0
201.02548	1.2
205.16005	1.3
211.13403	1.2
246.66721	1.1
284.03183	2.2
285.04105	2.3
431.10126	2.3
446.12347	1.6
447.13467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90325	0.5
59.01374	4.8
61.98827	4.2
69.14631	3.0
75.00868	0.6
85.02963	0.6
96.56371	0.5
96.96002	2.0
101.02435	0.7
107.01365	1.0
125.02450	0.8
139.93755	0.5
151.00356	2.9
174.03212	0.7
178.99873	0.8
183.04532	1.2
187.25179	0.6
201.49907	0.6
211.03958	0.9
211.07436	0.6
227.03488	60.5
228.03920	3.5
229.05040	2.1
255.02974	81.9
256.03604	10.2
257.04565	1.0
283.02631	0.5
284.03262	76.9
285.03986	28.3
286.04346	1.4
296.40250	0.7
327.05090	1.3
447.09305	100.0
448.09653	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46172	0.3
51.62135	0.2
54.88760	0.2
58.65113	0.3
59.01380	2.2
61.98846	1.7
65.00336	0.4
69.51841	0.4
69.52192	0.9
83.01421	0.4
89.42060	0.3
91.28519	0.3
93.03455	0.6
101.02436	0.5
104.07321	0.3
107.01368	1.1
108.98530	0.2
125.02467	0.6
132.02126	0.4
135.00851	0.6
138.66251	0.3
151.00360	2.3
153.01854	0.3
159.04503	0.4
161.67422	0.3
163.00323	0.6
165.01950	0.4
166.68835	0.3
169.06549	0.3
171.04532	0.3
174.03207	0.8
178.99820	0.5
182.03825	0.3
183.04506	1.3
185.06058	0.9
187.03952	0.5
189.01740	0.3
200.04674	0.3
211.03961	1.7
227.03502	78.7
228.03850	4.7
229.05013	1.9
239.03534	0.6
241.05106	0.5
249.25955	0.3
255.02986	99.7
256.03629	13.5
257.04456	1.6
267.02914	0.4
283.02191	0.4
284.03268	87.9
285.03967	27.7
286.04367	1.5
299.05640	0.4
327.05026	1.5
447.09332	100.0
448.09698	8.9
448.15387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
50.95645	0.3
58.00578	0.4
59.01378	100.0
60.01721	0.8
60.08719	0.4
61.98830	9.6
69.30406	0.5
69.30817	0.4
69.40801	1.7
71.01382	10.9
71.39381	0.4
73.02943	2.3
77.03947	0.7
81.03470	0.4
83.01379	1.1
85.02943	3.3
87.00890	0.6
89.02439	9.2
93.20324	0.4
95.01388	0.7
97.02953	0.4
101.02451	7.5
109.02984	2.0
113.02449	4.6
119.03481	4.1
121.02956	1.6
121.03760	0.4
125.02462	0.7
131.03510	0.9
133.02962	8.0
134.03700	0.5
135.00911	0.4
135.04556	0.8
138.75850	0.4
143.03502	1.4
147.04443	0.5
149.02422	0.6
151.00391	0.5
151.03960	0.5
159.03043	0.8
161.02444	1.3
161.04555	6.3
161.05833	0.6
163.00369	1.9
163.04010	1.0
165.01910	1.2
170.36555	0.4
175.04010	1.7
177.01976	0.8
179.05632	2.7
189.12831	0.9
191.03525	0.5
199.03995	1.2
199.07658	0.4
201.01988	1.1
203.03719	0.5
211.03947	0.6
213.05508	0.5
225.05573	0.4
225.14874	0.5
227.03410	0.7
227.07007	0.5
229.05032	0.5
241.04942	0.9
243.02893	0.5
253.05035	0.9
255.02950	0.8
269.04581	1.2
270.05304	0.4
281.04309	0.5
284.03333	3.8
285.01114	0.8
285.04083	9.0
286.04333	0.6
297.04010	11.0
298.04745	8.2
299.05585	16.0
300.06055	1.3
309.03845	0.5
311.05600	3.4
324.02701	1.0
325.03378	0.8
327.05090	50.6
328.05365	3.3
339.05103	5.9
340.05405	0.5
341.06625	0.7
357.06134	27.3
358.06363	1.8
365.18015	0.6
369.06058	1.1
387.07001	0.8
387.16168	0.5
387.20224	11.7
387.25183	0.6
388.20618	0.5
399.07092	0.5
405.21411	0.4
411.06946	0.6
429.08301	4.0
447.09305	36.9
448.09525	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.1
61.98833	1.7
62.82858	0.4
63.02392	1.1
65.00324	0.7
69.23651	1.6
71.01003	0.7
71.01376	7.3
73.02937	1.0
77.21066	0.4
77.96171	0.4
83.01351	1.0
85.02946	1.5
87.00923	0.4
89.02440	10.0
101.02440	3.3
105.03471	0.5
107.01389	2.6
109.02975	0.5
113.02457	3.2
119.03476	3.3
131.03510	0.4
132.02171	0.5
133.02956	4.8
134.03746	0.9
143.03477	0.7
148.01620	0.8
149.02429	1.1
149.99611	0.4
151.00378	5.0
152.98659	0.6
159.04437	0.4
161.04550	1.4
171.04425	0.4
175.03976	1.6
179.05554	3.1
183.04593	0.5
184.05200	0.4
189.99544	0.4
199.04015	1.5
200.04738	0.7
211.04012	1.5
212.04724	0.5
217.05057	0.7
225.14604	0.4
227.03479	1.7
239.03561	0.5
241.04979	0.6
255.02931	1.0
256.03732	4.0
257.04309	0.4
267.02789	0.4
275.51947	0.4
283.02448	0.9
284.03253	61.4
285.04028	100.0
286.04401	6.3
327.05011	1.0
387.20227	1.1
447.09302	63.9
448.09625	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78185	0.4
55.90661	0.4
59.01369	1.6
61.98837	0.9
62.96391	1.5
69.07214	2.8
78.95898	33.5
87.25220	0.5
96.95977	1.3
96.96945	2.0
98.22694	0.9
105.22493	0.4
117.60551	0.4
140.78122	0.4
149.00079	17.7
153.88257	0.4
158.92509	1.5
179.01147	2.2
205.15941	1.6
284.03281	0.9
284.96674	0.4
285.04214	1.0
398.95551	0.5
405.94272	0.4
417.12305	0.6
431.10019	2.0
447.13425	100.0
448.13757	7.2
456.59863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23561	0.4
59.01374	3.4
61.98821	1.4
71.01377	1.1
78.91890	0.4
79.41107	0.4
80.91666	2.0
89.02461	0.9
96.96016	2.5
99.92588	0.6
119.03490	0.6
143.04980	0.6
157.03094	0.4
161.06064	0.4
169.02930	1.1
171.04494	1.6
172.44060	0.4
181.02965	0.7
182.03734	4.6
185.06009	0.7
192.05901	0.5
195.04512	2.0
197.02412	0.8
197.09659	2.7
206.07281	0.4
207.08145	27.3
208.05333	0.9
208.08496	2.6
209.02606	0.5
209.06100	2.4
210.06845	7.7
214.02682	1.5
215.10751	1.1
216.04291	1.2
223.07817	0.5
224.08400	2.0
225.09186	22.3
226.02698	1.9
226.09558	1.9
227.03316	0.6
229.05043	25.8
230.05435	1.2
235.07643	1.3
237.05513	2.6
239.07149	0.5
241.05032	16.8
242.05438	0.9
243.10213	1.7
252.07925	2.0
253.08649	0.7
255.02823	0.5
258.05298	1.0
267.10260	9.4
269.08170	5.3
269.11832	1.4
284.04016	2.0
284.10535	100.0
285.04135	1.9
285.10880	7.2
291.06369	0.6
295.09778	0.7
307.06088	0.4
308.35382	0.6
350.04181	0.7
350.08069	0.6
365.06412	1.1
365.10333	2.9
366.10785	0.6
378.09549	16.3
379.09824	1.3
411.14270	0.6
415.14120	0.7
426.62057	0.5
447.09427	2.3
447.16574	5.6
448.10449	0.6
448.16754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2024
Annotation	CHEBI:67684
Peak:m/z	Relative Intensity
55.81342	0.3
59.01378	100.0
60.01714	0.6
61.98830	1.0
69.32214	1.1
71.01383	1.1
79.95757	0.8
81.03477	0.4
85.02975	0.6
89.02455	0.8
94.00163	0.3
96.96004	3.2
98.21857	0.6
101.02435	0.8
108.02213	0.7
109.02960	1.5
111.00863	0.4
113.02451	0.7
119.03546	0.4
119.05042	0.4
121.02930	1.6
122.03774	0.4
123.04551	1.1
124.01695	0.6
125.02466	0.7
131.05087	0.4
135.04524	1.1
136.01668	0.9
136.05302	0.5
137.02484	2.1
139.04015	0.7
145.02953	0.4
147.04544	1.2
149.06163	0.5
150.03239	0.5
151.04015	6.8
152.04826	0.5
153.05611	0.3
159.04457	0.6
160.05232	0.3
161.02431	0.6
161.06102	1.2
162.03212	3.5
163.04001	2.1
164.04825	0.7
173.06059	0.3
174.03302	0.7
175.03992	4.5
176.04807	1.9
177.05544	1.3
178.02734	0.9
178.06290	0.3
179.03470	0.5
179.07147	0.5
180.04228	1.5
187.04062	0.7
188.04793	5.3
189.05595	1.7
190.02753	0.9
190.06366	0.4
191.03528	0.5
191.07207	0.8
193.08734	0.3
194.05855	1.0
195.06610	1.3
205.05081	0.7
206.05840	9.0
209.08090	0.3
209.49960	0.3
221.08105	0.3
255.03157	0.3
267.19702	0.8
269.08130	0.7
284.03235	0.3
284.10559	0.5
285.04160	0.3
297.07788	0.5
299.12851	3.2
309.11249	0.3
312.10077	0.9
327.12399	4.2
328.12747	0.4
329.13974	1.2
342.11035	1.1
342.14804	2.0
345.13541	1.0
355.15347	0.5
357.13394	21.2
358.13745	1.5
367.17990	1.2
372.15726	3.3
375.14398	0.7
387.18158	8.6
388.18439	0.7
390.16879	1.0
405.19180	7.7
406.19690	0.6
417.15494	9.5
418.16116	1.0
432.17886	16.5
433.18176	1.8
447.20270	43.8
447.25946	3.9
448.20581	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28350	0.6
59.01379	100.0
61.98828	1.3
68.99818	3.8
69.08339	1.1
69.08750	2.5
70.29718	0.5
70.73170	0.5
71.01383	10.0
73.02943	1.5
78.33524	0.6
85.02970	2.5
87.00886	1.0
89.02441	15.9
95.01394	1.1
97.77251	0.5
98.22270	3.0
98.73088	0.5
101.02446	18.0
101.03097	1.0
111.59104	0.5
113.02448	4.2
119.03503	6.7
123.04530	8.8
125.31484	0.5
131.03505	1.1
143.03528	1.7
147.04538	1.8
149.04588	1.3
161.04561	2.4
174.13219	0.5
179.05635	12.9
207.06657	1.6
225.07703	8.2
267.02679	0.6
268.92914	0.7
285.04218	0.7
362.65091	0.6
401.14633	2.5
404.20041	1.6
447.22537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01874	5.5
55.37327	0.4
57.03444	5.0
57.81477	0.4
58.00585	1.0
59.01378	64.8
60.01724	0.5
61.98829	0.6
69.03452	1.9
69.12107	3.2
71.01379	100.0
72.01748	0.7
72.99305	1.3
73.02943	28.8
74.72632	0.4
75.00859	1.4
81.03471	1.0
83.01383	12.4
84.21511	0.5
85.02948	44.1
86.03290	0.8
87.00877	2.6
89.02443	26.8
90.02776	0.6
95.01389	6.2
97.02954	3.1
98.70502	0.5
99.00874	11.9
101.02438	55.6
102.02785	0.8
113.02444	39.7
114.02835	0.7
119.03506	5.3
122.44770	0.5
125.02461	3.9
129.01944	1.6
131.03519	3.0
137.02429	0.5
143.03508	6.6
149.04562	3.6
152.69591	0.5
159.02979	8.9
161.04552	82.5
162.04895	2.2
171.11665	0.5
173.04552	1.1
179.05629	1.5
183.13971	0.5
191.05519	0.5
205.03554	0.8
210.31020	0.5
211.13371	1.2
219.13860	0.6
233.06693	0.9
273.07370	0.5
304.07147	0.6
315.18103	70.0
316.18439	4.5
393.91122	0.6
440.55002	0.5
447.22278	18.4
448.22763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34196	0.5
55.01891	0.7
55.94309	0.5
57.03452	0.8
59.01379	100.0
60.01723	1.0
61.49492	0.5
61.98830	6.8
64.40331	0.5
69.40689	1.0
69.41079	1.1
71.01379	28.5
72.99334	0.5
73.02953	1.5
82.95520	0.5
83.01400	1.5
84.54990	0.5
85.02943	5.0
87.00893	1.6
89.02444	45.3
95.01391	1.6
98.22679	0.7
99.00900	0.6
101.02447	13.7
107.23701	0.5
111.78033	0.5
113.02453	10.4
119.03504	17.7
131.03534	2.2
132.71353	0.5
143.03528	3.4
149.04596	1.5
161.04546	4.8
179.05621	14.6
202.03136	0.5
211.13443	1.6
216.94345	0.5
225.15073	1.8
327.05200	1.1
387.20227	18.1
388.20575	1.2
447.09213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11001	0.8
52.67092	0.9
58.00583	0.8
59.01382	92.8
60.01722	0.9
60.06168	0.8
61.98837	12.2
63.02387	1.3
65.00341	1.3
69.25873	2.6
69.26280	1.9
71.01382	26.1
73.02943	4.4
83.01382	2.2
85.02972	5.3
87.00853	2.1
89.02448	41.5
95.01329	1.0
101.02460	12.0
107.01384	2.6
113.02458	10.4
119.03517	17.3
131.03474	1.2
133.03001	4.7
134.03717	1.9
143.03499	3.5
149.02380	1.5
149.04543	1.8
151.00346	5.2
161.04602	4.8
166.13206	0.9
168.84683	0.8
175.03990	1.7
179.05620	15.4
197.06097	0.9
199.04001	1.5
200.04660	1.0
201.01929	1.0
213.05476	1.0
217.04967	1.0
243.12405	0.8
255.02997	1.0
256.03790	4.1
270.53018	0.9
284.03265	56.2
285.04044	100.0
286.04398	4.2
295.03217	0.9
375.66205	0.9
387.20438	4.3
447.09326	80.2
447.22186	5.6
448.09576	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	0.6
61.98832	2.1
69.23129	2.2
71.01375	5.1
72.99279	0.4
73.02956	0.9
85.02955	1.2
86.12965	0.4
87.00909	0.4
89.02450	6.5
101.02455	3.7
112.49574	0.4
113.02454	2.5
119.03501	2.9
131.03540	0.6
143.03554	0.9
153.27060	0.4
159.02901	0.4
161.04552	3.5
179.05673	1.3
189.12898	1.9
207.13953	0.4
241.45544	0.4
249.50963	0.4
352.74670	0.4
387.20166	5.2
447.22736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
56.50669	0.6
57.03433	0.7
59.01377	100.0
60.01688	1.0
60.70165	0.7
61.98827	9.6
69.16891	3.9
69.94897	0.6
71.01378	13.6
73.02943	6.2
83.01386	2.4
85.02941	7.0
87.00906	1.1
89.02448	8.9
95.01369	1.4
99.00897	1.8
101.02435	15.2
113.02451	7.6
119.03503	3.4
123.04527	0.9
131.03519	0.7
133.02991	2.2
143.03600	1.0
145.32384	0.8
151.00362	0.9
159.03050	1.9
159.04475	0.7
161.04565	12.1
168.77216	0.6
170.49423	0.6
179.05705	1.5
191.05667	2.3
207.13921	0.9
210.00133	0.7
223.00035	0.6
225.07855	0.9
225.15010	1.5
284.03336	2.1
285.04010	2.1
297.04117	2.9
298.04819	2.2
299.05524	4.8
327.05090	20.7
327.08707	1.2
328.05402	1.2
339.05191	1.3
357.06183	8.7
358.06250	1.1
364.01453	0.7
387.20200	27.0
388.20578	2.5
447.09161	9.8
447.22968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49949	0.4
70.98441	0.5
78.95903	10.8
88.07828	0.4
100.43693	0.4
110.97819	0.7
110.98532	8.2
138.80344	0.3
166.99850	0.7
167.01151	9.4
170.20544	0.3
182.94530	0.4
185.02232	2.8
204.09726	0.4
248.33238	0.3
261.22122	0.5
279.23276	100.0
280.23639	7.1
285.03922	0.4
306.72430	0.4
447.25177	17.2
448.25354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.08597	0.4
59.82584	0.3
59.90518	0.3
61.79743	0.3
70.99791	0.5
74.09037	0.3
78.95901	9.0
110.97820	0.6
110.98533	6.8
116.07241	0.3
152.99571	0.4
167.01149	6.9
182.44576	0.3
185.02203	3.2
186.87674	0.3
218.60522	0.3
234.55449	0.3
254.82561	0.4
279.23282	100.0
280.23642	6.4
327.47156	0.3
331.83084	0.4
342.27356	0.4
420.87555	0.4
445.77365	0.4
447.25156	16.0
448.25558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.77201	0.5
61.98830	100.0
69.30511	2.4
71.01393	2.2
82.95440	0.5
85.02972	0.5
89.02444	0.8
96.96016	1.1
99.05677	0.5
101.02441	1.3
103.85983	0.6
117.21936	0.5
129.16655	0.4
137.06085	2.4
153.00185	0.9
170.11261	0.5
193.62323	0.5
216.64484	0.4
277.11142	0.5
310.17276	0.6
311.20959	0.5
448.11636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22421	0.2
59.01377	14.9
60.01718	1.1
61.45935	0.2
61.98828	100.0
64.70399	0.2
68.08398	0.3
69.41159	1.0
71.01397	1.8
73.02916	0.5
75.00881	0.4
84.36188	0.3
85.02956	0.9
89.02449	1.4
92.00465	0.3
93.03474	1.0
101.02431	1.3
111.00874	0.7
113.02465	0.7
119.03511	0.8
128.61082	0.3
129.01947	0.3
135.53839	0.2
146.51379	0.2
159.04544	0.3
161.04533	0.6
161.36707	0.2
173.00845	0.2
173.04543	2.5
179.05562	0.4
187.07706	0.4
191.05591	2.9
231.10333	0.3
257.08301	0.6
275.09488	1.0
285.03967	0.3
286.04437	0.3
321.84982	0.3
327.05057	0.4
328.05432	1.6
358.06506	0.3
387.19876	0.3
388.20755	1.0
401.12567	0.6
448.09796	0.8
448.22415	0.4
449.14517	0.6
449.20151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21056	1.8
53.99900	2.0
57.03442	4.1
58.65764	1.8
59.01381	16.5
60.99300	4.7
61.98830	12.9
67.01897	12.2
69.03454	3.5
69.31403	8.6
70.93526	1.8
71.01382	11.4
71.54541	2.0
72.60254	2.0
72.99332	2.4
75.36581	2.0
81.03449	4.2
83.05014	2.9
85.02959	14.2
87.00861	9.7
93.03450	63.2
101.02460	3.2
102.49231	2.4
105.03389	2.2
109.02918	2.6
111.00144	3.3
111.00879	39.5
111.04513	11.2
113.02415	2.9
125.02450	2.3
129.01903	3.3
133.02916	4.7
134.03734	19.3
135.04495	9.1
137.02409	9.0
139.03970	2.9
151.04002	3.7
154.99829	7.3
155.03464	5.0
160.01645	6.6
161.02470	2.5
162.03258	11.6
173.01019	10.5
173.04538	100.0
177.01965	3.7
177.05357	2.3
178.02638	2.7
179.03610	2.5
180.04272	3.0
191.05620	41.9
194.05855	4.2
195.06548	5.7
219.75923	2.1
221.37994	2.6
226.47383	2.1
231.10223	7.2
257.08109	2.9
275.09201	26.6
276.00336	2.0
315.17972	2.5
316.18295	4.5
331.55286	2.1
345.13351	9.7
351.07047	2.9
375.14267	9.8
390.16699	5.2
405.19177	50.4
406.19461	5.1
448.22540	2.6
449.14471	26.5
449.23657	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58477	1.3
56.53770	1.5
58.93840	1.4
59.01375	2.7
61.98826	100.0
67.63271	1.3
80.35204	1.4
90.78430	1.2
96.95982	2.4
193.43486	1.2
206.22581	1.3
213.71761	1.4
257.20721	1.3
285.03735	1.9
285.10919	4.3
290.51926	1.3
299.32623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87113	1.4
59.01377	2.4
61.98828	100.0
69.29828	6.1
78.95902	2.9
100.32023	1.2
100.47324	1.4
116.92858	5.7
118.96115	1.4
122.04331	1.4
146.27187	1.3
152.99570	5.7
156.00162	1.3
156.89493	1.7
183.83978	1.3
194.05652	1.3
195.79874	1.4
196.27457	1.8
217.19336	1.5
219.07898	1.4
232.04733	1.4
312.07629	1.9
325.57443	1.6
337.25351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01377	3.8
60.99308	4.0
61.98811	1.8
64.10152	0.4
67.01886	12.4
69.03442	3.5
69.21979	1.6
69.22404	1.2
71.01376	4.9
72.99312	0.7
81.03465	2.5
83.01376	1.3
83.05026	1.8
85.02934	5.1
87.00873	11.8
89.03884	0.6
93.03455	73.3
94.03786	1.3
99.00871	1.7
99.04530	1.2
99.11382	0.5
101.02428	0.5
105.03464	1.7
107.67175	0.5
108.02189	0.4
109.02950	0.8
111.00871	24.3
111.04513	11.1
113.02425	1.1
117.03428	0.7
129.01973	2.4
133.02950	6.1
134.03726	9.5
135.04523	9.7
136.05325	1.2
137.02420	4.0
143.03418	0.6
150.03239	0.7
152.99797	0.5
154.99870	3.2
155.03484	5.4
160.01636	2.1
162.03197	1.8
173.00993	8.2
173.04543	100.0
174.04877	1.9
177.01839	0.7
179.03473	1.5
179.23390	0.6
187.07622	0.8
191.05605	13.9
213.15286	0.5
231.10266	7.5
232.10445	0.6
257.08246	0.5
275.09259	9.9
293.30612	0.5
308.08932	1.2
351.07098	0.7
352.07916	1.6
449.14499	30.6
450.14792	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01381	2.5
59.69654	0.4
61.98817	1.6
62.96409	25.9
70.45906	0.7
71.01353	0.4
78.95901	61.1
80.97466	35.0
89.02467	0.6
93.03504	0.6
149.00095	14.5
150.00452	0.5
152.99602	0.8
173.04535	0.7
179.01167	1.0
181.02600	0.5
196.48595	0.4
202.98715	1.0
205.15958	7.3
217.00327	1.0
242.98329	4.7
285.12759	2.1
355.16772	19.3
356.17014	1.0
367.16284	0.4
385.17801	23.0
386.18033	2.3
448.27753	0.5
449.14954	100.0
450.15250	7.1
456.50287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.9
61.98822	19.5
71.42172	5.5
74.80053	4.4
78.95888	10.9
92.29757	5.2
93.03436	6.9
96.96007	18.2
125.09709	8.2
152.99620	11.8
167.06804	5.2
171.10249	11.9
173.04625	7.0
191.52223	5.2
225.72342	5.3
261.18564	30.5
276.32156	5.4
277.18173	11.1
281.24762	5.4
304.26917	6.4
344.90598	4.6
431.28085	45.1
449.23288	6.0
449.29117	100.0
450.29440	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03444	3.4
58.85527	0.7
59.01378	100.0
59.48019	0.7
60.01690	1.0
60.99298	1.1
61.98826	15.9
64.35448	0.7
67.01894	2.1
69.57146	2.7
71.01379	20.5
72.18433	0.7
72.91850	0.7
73.02951	1.6
83.01392	2.3
85.02950	8.7
87.00871	1.5
89.02446	17.9
93.03458	10.2
95.01382	1.5
99.00873	1.1
99.04510	7.9
101.02440	9.8
108.02173	1.1
109.02939	0.8
111.00883	12.9
111.04527	1.7
113.02458	6.5
119.03504	5.3
122.22169	0.7
129.01942	1.5
135.04507	1.8
137.02426	2.6
144.03027	5.3
147.06613	2.4
151.00398	1.5
151.76834	0.7
152.01184	2.5
154.99864	1.9
160.35960	0.7
161.04715	0.7
163.97658	0.7
165.12827	2.9
167.03488	3.3
172.05226	1.0
173.00935	5.7
173.04544	15.2
173.05992	1.4
179.05559	2.1
181.92557	0.8
187.07639	2.7
191.05606	20.3
191.10698	0.8
207.13869	8.4
209.11818	26.4
210.12134	1.2
213.09184	1.1
225.14954	11.3
231.10161	1.6
251.12845	5.3
257.08121	2.6
269.13928	80.3
270.14291	4.6
275.09277	5.2
279.09808	3.8
281.06763	1.8
287.05463	1.6
287.14948	2.2
299.89612	0.7
389.17902	1.0
431.19217	1.1
449.20203	91.4
450.20496	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03444	3.4
58.85527	0.7
59.01378	100.0
59.48019	0.7
60.01690	1.0
60.99298	1.1
61.98826	15.9
64.35448	0.7
67.01894	2.1
69.57146	2.7
71.01379	20.5
72.18433	0.7
72.91850	0.7
73.02951	1.6
83.01392	2.3
85.02950	8.7
87.00871	1.5
89.02446	17.9
93.03458	10.2
95.01382	1.5
99.00873	1.1
99.04510	7.9
101.02440	9.8
108.02173	1.1
109.02939	0.8
111.00883	12.9
111.04527	1.7
113.02458	6.5
119.03504	5.3
122.22169	0.7
129.01942	1.5
135.04507	1.8
137.02426	2.6
144.03027	5.3
147.06613	2.4
151.00398	1.5
151.76834	0.7
152.01184	2.5
154.99864	1.9
160.35960	0.7
161.04715	0.7
163.97658	0.7
165.12827	2.9
167.03488	3.3
172.05226	1.0
173.00935	5.7
173.04544	15.2
173.05992	1.4
179.05559	2.1
181.92557	0.8
187.07639	2.7
191.05606	20.3
191.10698	0.8
207.13869	8.4
209.11818	26.4
210.12134	1.2
213.09184	1.1
225.14954	11.3
231.10161	1.6
251.12845	5.3
257.08121	2.6
269.13928	80.3
270.14291	4.6
275.09277	5.2
279.09808	3.8
281.06763	1.8
287.05463	1.6
287.14948	2.2
299.89612	0.7
389.17902	1.0
431.19217	1.1
449.20203	91.4
450.20496	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53084	0.4
53.16468	0.3
59.01377	100.0
59.22057	0.4
60.01713	0.9
60.07859	0.4
69.53490	1.9
81.27522	0.3
85.02984	0.8
104.72446	0.4
111.00855	2.8
135.04601	0.6
142.99591	0.4
164.61360	0.4
173.00945	1.1
173.04665	1.0
413.21817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61213	0.5
52.51783	0.5
59.01379	100.0
60.01710	0.5
61.98835	8.3
67.01895	1.3
69.03432	0.7
70.13895	0.5
71.01382	25.0
72.99313	0.7
73.02966	1.2
81.03493	0.7
83.01379	1.0
85.02952	5.6
87.00899	1.5
89.02444	42.9
93.03456	4.8
95.01405	1.1
96.17246	0.4
98.21793	0.9
101.02444	14.4
101.03092	0.7
111.00881	6.3
111.01575	0.7
111.04532	1.1
113.02451	12.0
115.04003	1.0
119.03503	16.2
125.02508	0.5
127.04031	0.5
129.02003	0.7
131.03539	2.0
137.02475	0.5
143.03510	4.1
148.28429	0.5
149.04610	2.0
154.99878	0.8
155.03564	0.7
158.03804	0.6
159.04515	0.7
161.04573	4.9
173.00903	2.3
173.04544	9.7
173.05960	0.6
179.05608	14.0
180.06187	0.4
186.13268	0.5
187.07716	1.7
191.05624	10.9
202.06441	0.7
227.90633	0.4
231.10176	0.8
257.08340	1.7
269.14029	0.9
275.09259	2.8
283.10529	0.5
389.21912	2.2
449.14810	0.7
449.19601	0.9
449.24899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22296	0.3
69.10318	1.5
75.08044	0.2
78.95903	11.2
97.12193	0.3
98.17441	0.2
98.22732	0.6
103.15981	0.3
104.97469	0.3
110.98531	8.1
137.00093	0.4
152.99600	0.3
167.01151	8.6
185.00842	0.3
185.02235	3.3
225.52266	0.3
281.24844	100.0
282.25211	6.7
394.25641	0.3
438.61133	0.3
449.26715	17.0
450.26886	1.6
453.72672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66044	0.4
52.73787	0.4
54.39738	0.4
68.61599	0.5
69.11217	3.1
78.95899	12.2
81.89235	0.4
104.97450	0.5
107.63680	0.5
110.97811	0.8
110.98525	9.5
121.19902	0.5
126.71667	0.4
132.00317	0.4
167.01143	8.7
169.38066	0.4
174.76965	0.5
185.02199	3.1
262.41611	0.4
281.24844	100.0
282.25204	7.8
304.15714	0.4
449.26697	21.6
450.27115	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33971	0.4
67.39231	0.4
69.11963	0.8
69.12373	2.1
78.95904	18.3
84.11710	0.4
86.67331	0.4
91.88544	0.4
94.99035	0.5
104.97449	0.6
110.98531	13.0
116.79308	0.5
118.40235	0.5
137.00087	0.5
152.99576	0.6
167.01149	12.4
185.02202	2.9
281.24857	100.0
282.25211	7.2
338.81079	0.4
449.26733	17.3
450.27179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67886	0.3
58.78707	0.4
59.75561	0.4
69.71474	0.8
69.71822	1.0
78.95908	11.2
104.97491	0.4
110.98529	8.2
160.60229	0.4
166.11110	0.4
167.01141	9.4
167.02277	0.4
175.90833	0.4
185.02226	3.2
192.46611	0.4
194.23848	0.5
281.24863	100.0
282.25137	7.1
440.30939	0.4
449.26733	27.2
450.26874	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25262	0.4
62.76303	0.3
66.12498	0.4
70.08514	0.8
71.48503	0.4
78.95895	5.6
81.43863	0.3
98.21922	0.5
104.97463	0.4
110.98539	4.9
159.47571	0.4
167.01131	3.9
185.02225	4.1
279.23166	0.7
281.24850	100.0
282.25201	7.6
449.20435	0.8
449.26651	11.1
450.27127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21992	0.6
59.01380	15.9
61.98829	100.0
63.29257	0.5
65.76565	0.5
69.41186	2.2
69.71007	0.5
71.01386	4.1
81.14819	0.5
85.02982	0.7
86.86411	0.5
89.02451	3.5
101.02467	1.9
113.02471	1.4
118.81132	0.6
119.03500	1.4
153.69077	0.5
161.04579	0.5
163.11313	1.5
188.52235	0.5
207.10226	3.3
218.04538	0.5
387.16599	38.4
388.16840	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69624	14.1
67.01899	16.1
69.28622	68.3
71.01378	28.4
74.10747	15.0
85.02940	17.0
87.00876	24.5
93.03442	94.9
94.03809	18.5
98.22569	36.6
111.00875	36.7
111.04549	16.1
134.03719	24.0
171.93837	15.7
173.04576	100.0
174.04877	27.7
191.05598	27.6
197.53476	14.5
245.11839	18.4
276.09628	30.0
277.10660	16.4
450.14648	29.9
451.09021	20.2
451.15613	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
60.01722	0.4
61.98829	100.0
71.01396	0.7
71.25885	0.3
71.52235	0.2
71.83704	0.2
79.95776	0.4
83.55032	0.3
89.02452	0.9
96.96009	8.3
101.02461	0.6
109.52650	0.3
113.02468	0.5
119.03487	0.3
119.66062	0.3
128.52383	0.3
130.91959	0.2
161.04655	0.4
163.11407	0.3
179.46574	0.3
191.05721	0.7
276.09674	0.5
310.08444	0.4
313.10721	0.5
361.12717	0.4
387.16617	4.2
390.22159	0.4
451.16397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.3
60.01707	0.6
61.98827	100.0
62.93424	0.3
71.01384	3.4
73.02925	0.5
79.95737	1.4
83.01418	0.4
85.02950	1.4
87.00893	0.6
88.47532	0.3
89.02435	2.8
91.28872	0.3
93.03479	0.7
96.96008	44.9
98.49682	0.4
99.00934	0.5
101.02439	2.1
111.00931	0.4
113.02464	1.0
117.03443	0.6
118.04133	0.4
119.03506	1.2
119.05046	0.4
145.03008	1.7
162.12592	0.4
173.04555	1.1
174.04945	0.5
187.07646	0.5
191.05615	2.1
192.05908	0.7
219.53903	0.5
225.11440	2.6
227.03638	0.7
255.03073	1.0
273.11850	0.6
275.09256	0.9
276.09662	1.1
284.03406	0.6
390.22076	0.9
401.60010	0.4
450.10892	0.6
450.24493	0.7
451.16345	13.7
451.25964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27039	0.3
59.01379	3.7
61.98830	100.0
68.95444	0.3
69.29985	1.6
71.01388	1.6
73.02957	0.6
74.02476	0.7
76.20959	0.3
81.36015	0.3
85.02953	0.8
86.02532	0.3
86.89552	0.3
89.02434	2.0
93.03439	1.4
94.03809	0.5
96.96024	0.5
98.22615	0.5
99.00924	0.5
99.05662	0.4
100.04099	0.3
101.02464	1.0
109.76077	0.3
111.00896	1.2
112.01220	0.5
113.02483	1.0
119.03567	0.4
120.10488	0.3
128.03563	1.6
132.10001	0.3
137.70230	0.3
143.04588	2.0
149.04597	0.7
161.04576	0.5
173.00919	0.5
173.04552	2.8
174.05005	0.7
191.05635	3.2
192.05995	0.8
210.08878	0.5
254.08011	1.0
272.08829	1.7
276.09714	0.5
304.06140	0.5
450.14313	0.3
450.19684	0.6
451.21780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2283
Annotation	Terpendole H
Peak:m/z	Relative Intensity
57.15797	1.2
59.01360	1.9
59.80216	0.8
61.98837	1.4
70.97297	1.8
80.62341	1.0
96.95998	3.0
107.05046	1.5
123.04537	3.6
125.87306	1.3
135.04526	11.4
145.10216	4.4
146.02473	64.7
147.02847	1.3
147.03262	1.7
147.04512	26.9
147.08134	2.4
160.04044	14.9
161.04842	5.3
173.04684	1.2
173.06076	2.9
175.07611	1.7
186.01971	3.5
189.09210	47.5
190.05096	23.0
190.09755	4.8
191.05882	48.2
191.10745	5.8
192.06204	2.8
200.03433	1.3
259.17035	12.9
268.06018	1.4
312.08762	5.4
313.09653	1.2
336.12402	19.8
338.10379	21.2
338.14227	2.4
364.15430	1.1
380.15234	2.2
381.15802	52.8
382.16040	4.6
450.22824	100.0
451.23013	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29243	0.3
59.01365	1.2
61.98817	0.4
67.01883	0.5
67.45374	0.2
69.03395	0.3
69.45966	0.9
71.01364	0.8
75.32841	0.3
79.95732	0.7
80.96535	0.5
82.80711	0.3
82.93516	0.3
85.02938	0.3
87.00870	0.5
87.04473	0.4
93.03453	3.9
96.02171	0.3
96.96004	5.8
98.21915	0.5
101.02446	0.5
111.04511	3.6
113.02452	0.4
124.01661	2.2
124.30061	0.2
134.03755	1.3
135.04518	1.4
137.02425	0.5
139.04024	1.7
148.05295	0.9
152.01154	15.8
153.01457	0.5
154.13208	0.3
155.03433	0.5
165.01906	0.8
173.04544	7.5
173.06000	0.5
173.34276	0.3
173.58348	0.3
174.04742	0.3
176.04776	1.1
177.05536	0.4
179.60500	0.2
191.07120	2.8
193.05046	0.3
194.05827	19.7
194.57477	0.3
195.06139	0.8
209.08180	100.0
210.08533	4.4
217.46831	0.4
237.48323	0.3
241.00221	15.4
277.10861	0.8
451.09052	4.3
451.16110	2.0
452.09421	0.5
476.48813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29243	0.3
59.01365	1.2
61.98817	0.4
67.01883	0.5
67.45374	0.2
69.03395	0.3
69.45966	0.9
71.01364	0.8
75.32841	0.3
79.95732	0.7
80.96535	0.5
82.80711	0.3
82.93516	0.3
85.02938	0.3
87.00870	0.5
87.04473	0.4
93.03453	3.9
96.02171	0.3
96.96004	5.8
98.21915	0.5
101.02446	0.5
111.04511	3.6
113.02452	0.4
124.01661	2.2
124.30061	0.2
134.03755	1.3
135.04518	1.4
137.02425	0.5
139.04024	1.7
148.05295	0.9
152.01154	15.8
153.01457	0.5
154.13208	0.3
155.03433	0.5
165.01906	0.8
173.04544	7.5
173.06000	0.5
173.34276	0.3
173.58348	0.3
174.04742	0.3
176.04776	1.1
177.05536	0.4
179.60500	0.2
191.07120	2.8
193.05046	0.3
194.05827	19.7
194.57477	0.3
195.06139	0.8
209.08180	100.0
210.08533	4.4
217.46831	0.4
237.48323	0.3
241.00221	15.4
277.10861	0.8
451.09052	4.3
451.16110	2.0
452.09421	0.5
476.48813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01113	0.4
59.01379	5.5
61.90998	0.3
61.98830	12.4
64.79668	0.3
65.00343	0.6
69.28529	1.3
71.01385	2.2
71.04988	0.3
73.02955	0.5
81.03450	2.5
83.01394	1.0
85.02933	0.7
89.02450	1.3
96.96032	1.6
97.90858	0.3
99.00882	0.4
99.08163	0.9
100.93396	0.3
101.02445	1.9
107.01373	0.5
113.02459	1.0
116.31387	0.3
116.92852	0.4
119.03506	0.7
121.06604	0.4
123.08158	2.0
125.02439	4.7
125.06068	3.5
126.06300	0.3
136.05280	0.5
141.09189	0.6
147.08174	0.7
149.02489	0.5
149.04619	0.3
151.00392	0.9
161.04559	0.5
163.06134	0.3
163.11296	1.0
164.11563	0.5
165.09209	21.6
166.09560	0.4
179.05716	0.4
191.07143	1.4
209.08189	100.0
210.08510	4.4
233.08145	0.5
241.00105	0.3
251.09196	1.0
289.03998	0.3
371.13443	6.5
372.13889	0.4
387.16528	1.6
388.16876	4.7
451.09146	31.7
452.09570	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01756	0.2
57.01594	0.3
57.03442	0.6
59.01379	4.1
59.26129	0.2
61.98824	1.3
63.44183	0.3
64.61790	0.3
65.00329	0.7
67.01926	0.2
69.03438	0.4
71.01370	1.7
72.99290	0.3
73.02948	0.3
81.03451	3.5
83.01376	1.0
85.02944	0.8
87.00861	0.2
89.02464	0.7
93.03485	0.6
96.95990	1.3
97.02928	0.6
99.04562	0.3
99.08164	1.1
101.02464	1.0
101.06068	0.5
111.00841	0.5
113.02452	0.6
117.03461	0.7
121.02970	0.5
123.00896	0.4
123.08167	1.0
124.01710	0.3
125.02441	4.5
125.05228	0.4
125.06092	3.6
126.61962	0.2
134.03732	1.3
135.04489	1.0
136.05287	0.6
141.09229	0.6
145.02962	2.9
146.03270	1.1
147.08147	0.6
149.02444	0.6
151.00352	0.8
152.01146	0.5
161.04535	0.3
163.03958	0.4
165.09201	29.6
166.09549	1.0
173.04520	0.6
179.07100	0.6
191.05678	0.6
191.07112	1.4
193.08662	0.6
205.08682	1.0
208.07364	0.4
209.08177	100.0
210.08521	4.2
215.07170	0.7
221.08131	0.7
223.09778	2.8
227.03464	1.0
228.03584	0.3
233.08162	17.6
234.08501	1.1
241.00166	1.7
242.79434	0.3
251.09245	8.2
252.09575	0.5
255.02962	1.4
256.03482	0.7
263.09283	1.9
275.09262	0.5
277.10703	1.9
282.56662	0.3
284.03229	1.5
285.03638	0.6
311.11246	0.6
328.69742	0.3
353.12390	0.5
371.13434	20.2
372.13861	1.6
388.48700	0.3
391.23416	0.7
437.14508	0.4
450.61703	3.2
451.09091	38.6
451.21149	1.0
452.09409	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43478	3.5
54.93500	3.8
57.99896	3.4
59.01377	16.5
66.47585	3.6
70.58172	5.9
71.01390	10.8
83.58141	4.2
89.02448	12.8
101.02433	8.4
108.90199	94.2
117.26627	4.0
152.95943	4.7
165.83138	3.6
174.28853	3.8
191.05655	3.8
302.90479	5.1
312.15002	4.0
415.14496	77.7
416.14862	7.6
451.12219	100.0
452.12332	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.1
61.98826	56.9
65.05904	4.8
71.01389	20.6
71.04829	6.7
73.02937	5.7
81.03459	5.9
85.02942	9.8
89.02439	15.4
89.02938	4.8
92.37062	4.7
96.95998	13.9
101.02437	10.2
113.02443	7.1
116.92884	4.6
123.04648	4.8
125.02488	5.5
142.55157	4.6
152.01144	4.8
152.15549	4.3
165.09242	16.1
167.03479	5.3
192.26704	5.0
209.06329	8.4
209.08202	100.0
210.08554	4.8
388.16873	10.4
451.08871	22.2
451.14810	5.3
451.21628	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	90.9
60.01709	3.3
61.98828	100.0
67.80543	2.1
68.55399	2.0
68.71148	2.1
69.16454	12.2
71.01388	11.7
73.02927	4.2
79.34481	2.5
83.28670	2.4
85.02940	4.6
85.16436	2.1
89.02431	6.8
96.96009	38.3
98.21874	5.5
101.02461	6.0
113.02458	3.8
116.92889	4.0
119.03502	2.6
149.02388	2.6
150.03212	7.3
164.93974	2.5
165.05531	6.1
195.06621	5.9
239.07187	3.7
240.04230	16.6
255.06595	4.3
267.06433	4.4
270.09097	2.4
277.09933	2.7
283.06201	8.3
295.06091	19.4
298.08447	24.7
310.08478	17.6
313.10834	26.4
325.10876	20.0
331.17615	3.9
343.09317	3.1
349.18939	3.4
361.13019	36.2
373.12933	26.4
374.13016	3.1
388.16809	4.6
403.17926	2.7
451.16357	7.0
451.21866	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43916	0.2
55.94736	0.2
56.95975	0.2
57.86866	0.2
59.01376	5.6
61.98831	4.2
69.48431	0.4
69.48819	0.4
71.01374	1.6
72.99302	0.3
73.02953	0.4
79.95737	3.6
83.01376	0.2
85.02948	0.7
87.00862	0.2
89.02454	1.5
96.96014	100.0
97.95955	0.3
101.02449	1.3
106.52054	0.2
113.02457	0.5
119.03485	0.5
135.73485	0.2
161.04576	0.2
179.05582	0.2
191.05737	0.2
211.22313	0.2
225.11325	1.9
271.10080	1.1
273.11612	1.2
329.72833	0.2
432.78592	0.2
451.16428	29.3
451.25418	1.3
452.16736	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2104
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
59.01371	77.0
61.98826	42.5
72.99295	27.6
77.46928	24.1
81.59151	25.4
84.89759	23.8
93.03449	78.1
107.39885	24.4
125.50566	29.6
131.68164	23.7
173.04604	41.7
179.03325	26.0
269.26825	23.0
345.66666	22.4
368.71689	24.4
451.15881	100.0
451.21255	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62146	10.5
59.01367	59.8
61.98841	68.4
69.29008	40.0
71.01389	10.1
71.15889	9.6
85.02971	27.6
92.97157	10.3
93.03456	11.5
95.77026	10.6
96.65430	10.7
96.95973	10.4
98.21882	21.6
101.02457	19.8
111.00879	100.0
123.38683	11.5
134.03740	16.4
154.99815	14.7
173.00917	41.6
197.13432	10.6
206.09448	11.5
262.04953	9.9
307.46024	10.3
314.80252	10.0
451.21036	25.9
475.50876	12.3
476.59912	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40026	0.7
54.62944	0.7
58.16437	0.7
61.25113	0.7
69.71286	1.8
78.95905	10.5
84.82858	0.7
109.30538	0.8
110.98531	8.7
120.43212	0.8
167.01135	11.5
185.02213	2.9
269.79269	0.7
279.58072	0.8
283.26431	100.0
284.26749	7.0
310.30087	0.7
451.28314	16.6
451.34546	0.8
452.28668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01908	0.1
58.02965	0.2
59.01362	0.2
63.26018	0.1
69.32312	0.2
69.32697	0.2
72.04543	0.1
80.05056	0.2
81.03454	6.8
82.03783	0.2
82.06622	0.6
83.05024	20.6
84.05342	0.4
89.02459	0.1
96.95963	0.1
100.07683	0.2
101.49599	0.1
105.28452	0.1
107.06142	0.8
108.04555	0.8
121.91875	0.1
125.07207	2.5
126.05625	0.5
133.78387	0.1
143.08255	1.1
157.13396	0.1
191.05798	0.1
205.50800	0.1
207.13069	0.1
207.15025	2.7
208.13380	0.2
208.15321	0.1
224.17659	3.7
225.16072	10.9
226.16481	0.5
233.91245	0.1
242.18741	1.4
250.15550	0.4
268.16556	0.2
290.22351	0.3
306.21973	0.1
307.23825	0.3
309.21692	0.5
324.26538	1.5
325.26654	0.1
333.22931	3.8
334.23141	0.2
339.27475	0.2
341.29254	0.1
350.24503	0.1
351.24014	1.0
367.27145	1.2
385.28070	0.2
424.81116	0.1
433.31796	5.6
434.32281	0.5
451.32858	100.0
452.33176	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	20.0
59.03609	7.5
61.98818	38.2
76.45507	8.6
87.90967	8.3
98.22644	25.6
103.92049	9.9
125.87316	64.3
127.87046	8.0
142.87396	9.2
157.86356	9.7
192.09290	8.9
193.06607	9.5
264.04251	10.9
281.13980	10.5
292.03610	20.7
301.58804	8.5
311.69540	9.0
320.03165	31.2
321.03925	16.0
335.05469	58.3
368.91183	9.2
394.06860	30.6
409.09174	100.0
452.26599	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78774	0.3
56.27975	0.3
56.71061	0.3
59.01379	14.5
59.68170	0.4
61.98828	100.0
71.01379	2.8
73.02938	0.8
80.96530	0.4
83.01387	0.6
85.02951	1.6
86.84105	0.4
87.85574	0.4
89.02454	1.9
93.03493	0.6
96.96019	2.9
99.00925	0.6
101.02455	2.8
113.02473	1.1
119.03527	0.4
137.03566	0.5
138.97026	0.4
161.04533	0.5
163.06090	0.6
164.06528	0.4
173.04590	0.6
185.04555	0.4
191.05548	0.5
230.07112	0.3
237.75575	0.4
241.00400	1.5
296.06915	0.5
297.79196	0.4
314.11313	0.4
362.13043	0.4
389.18158	36.1
390.18417	2.7
452.22046	0.5
453.07526	0.8
453.13998	0.6
453.19373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31950	0.9
56.37880	0.8
59.16530	0.8
60.46909	0.9
61.98829	26.6
62.96449	0.9
69.14345	4.2
72.89137	0.8
78.95902	100.0
84.59912	0.9
96.96960	7.8
100.00218	0.9
108.14491	1.0
152.99590	17.0
159.42099	1.2
160.84329	1.1
171.00655	19.8
191.53835	0.8
196.03845	1.6
220.47086	1.0
255.23265	13.8
265.65207	1.0
355.98355	1.1
361.97348	1.1
378.24133	1.9
380.05017	0.8
452.27847	61.6
453.28290	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98833	7.8
66.62101	0.5
78.95905	49.0
80.73471	0.5
96.96956	2.3
98.22684	1.3
122.00137	0.8
140.01196	5.4
152.99593	6.8
158.84610	1.4
160.84209	1.5
167.47662	0.6
171.00638	7.0
196.03781	9.0
214.04878	2.3
255.23286	100.0
256.23636	4.8
280.84103	0.5
319.37598	0.6
378.24323	0.6
392.18579	0.9
452.11209	1.9
452.27808	51.9
453.11658	1.1
453.27954	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02297	0.4
61.98832	2.6
62.96414	0.5
78.95902	100.0
96.96957	8.8
116.00741	0.4
116.92942	0.4
119.24380	0.4
120.60298	0.4
140.01213	0.6
152.99593	18.1
162.08145	0.4
171.00648	19.5
196.03738	0.5
219.55443	0.4
255.23268	3.9
274.82474	0.4
378.24072	1.8
391.23117	0.4
452.27798	59.2
453.28146	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10680	0.6
55.01882	3.2
55.27137	0.5
59.01377	16.0
61.98824	4.2
66.77089	0.6
67.01882	0.7
69.03452	100.0
70.03793	1.4
70.36719	1.1
71.01379	4.5
72.99310	2.3
73.02933	2.2
79.01898	2.4
79.95728	0.5
82.95405	1.0
83.01404	0.8
85.02956	1.9
89.02456	1.7
95.01398	1.8
96.96020	1.5
97.02947	22.2
98.03252	0.5
99.00878	26.1
101.02439	2.1
113.02467	1.2
114.05654	0.8
119.03524	0.6
123.00896	0.7
128.03522	0.5
128.84813	0.5
134.03729	1.3
138.32080	0.5
141.01938	7.7
161.04565	0.7
185.00905	70.9
186.01224	2.3
191.05544	0.8
203.01961	10.7
223.13318	2.7
249.14899	1.3
267.12393	3.1
273.97986	0.5
288.07510	0.5
292.35596	0.6
328.05865	1.0
393.24741	1.7
453.13962	3.5
453.20859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31289	0.4
55.01875	3.7
59.01375	5.7
61.98819	1.1
67.01905	0.8
67.96294	0.4
69.03455	100.0
69.58499	1.2
70.03780	1.2
71.01385	1.5
72.99285	1.1
73.02933	0.8
78.48569	0.5
79.01888	4.2
84.93849	0.6
85.02941	1.3
93.03483	0.6
95.01384	1.3
96.96008	1.6
97.02457	0.3
97.02950	17.8
99.00883	23.8
99.92585	7.4
100.93367	1.6
101.02485	1.1
103.00380	0.6
113.02466	1.2
114.94941	0.7
115.92077	1.6
116.92860	26.6
117.92893	0.9
141.01938	8.4
158.93915	4.9
166.32019	0.5
174.61435	0.4
177.58363	0.5
185.00911	71.9
186.01259	2.2
267.16064	1.6
331.03226	0.6
349.03851	0.6
367.04938	0.8
409.05923	1.1
453.04800	2.1
453.17621	21.5
454.17963	2.1
457.91440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
59.01377	7.3
61.98835	3.0
67.01891	0.9
69.03459	100.0
70.03777	1.6
71.01383	1.5
72.99303	1.7
73.02934	2.5
73.16001	0.5
76.51477	0.5
79.01889	3.6
83.01390	0.5
85.02941	1.5
89.02459	0.7
92.24580	0.5
93.03468	1.0
95.01381	1.6
96.96029	0.7
97.02958	18.3
98.21812	1.1
99.00882	26.0
99.04547	2.6
99.92590	0.9
101.02448	2.0
104.33497	0.5
111.00879	0.6
113.02460	0.9
116.92854	1.0
123.00848	0.8
127.05162	0.9
130.08760	1.9
133.03011	0.6
134.03761	1.2
141.01945	9.8
145.01331	0.5
161.04482	0.9
173.04472	0.7
185.00919	69.5
186.01271	2.8
187.11084	0.6
192.23120	0.6
249.11404	0.5
267.15933	0.7
294.60962	0.5
393.24686	0.5
453.11023	0.8
453.17645	15.8
453.27124	3.3
454.17786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42935	0.6
55.01876	3.7
59.01376	11.1
59.87464	0.6
61.98818	4.0
62.20346	0.7
67.01885	1.2
69.03453	100.0
70.03773	1.1
71.01388	3.0
71.43004	0.7
72.99303	2.3
73.02963	3.3
79.01885	2.5
85.02956	1.8
87.00874	0.7
89.02444	1.1
94.60120	0.7
95.01388	1.4
96.96046	1.1
97.02946	19.6
99.00878	26.1
99.04529	1.8
99.92570	1.4
100.93349	1.0
101.02458	2.1
111.00867	0.9
113.02454	1.1
115.92136	1.0
116.92888	1.0
123.00909	1.1
127.05160	1.8
128.39540	0.7
130.08723	1.9
134.03757	0.9
135.04526	1.8
141.01926	8.3
143.59943	0.7
161.04585	1.2
173.04524	1.5
174.04874	0.9
185.00905	68.4
186.01186	1.4
393.24710	0.9
453.17520	18.3
453.27341	1.5
454.18176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28885	1.0
69.63565	4.6
78.70065	1.2
99.92596	7.0
100.93359	79.7
101.93375	2.4
115.92073	100.0
116.92091	3.0
116.92878	7.5
172.95430	8.7
383.70123	1.2
435.18442	1.3
453.19681	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63545	1.1
52.67952	1.2
57.03861	1.3
59.01382	100.0
60.01722	1.9
61.98826	11.7
63.99234	2.4
69.03458	1.5
69.23574	3.2
69.24005	4.7
71.01383	25.6
73.02946	20.2
78.95670	1.1
83.01368	2.7
85.02967	10.6
86.58458	1.4
87.00867	3.9
87.04517	1.6
88.98784	2.0
89.02444	33.1
89.34016	1.2
96.96016	4.5
97.02948	1.7
101.02449	40.1
103.04014	13.5
110.07267	1.6
113.02441	6.7
115.03970	4.8
119.03502	16.4
125.02418	2.2
131.03496	4.2
136.38359	1.3
139.77560	1.3
143.03522	7.2
145.05055	4.4
161.04541	2.0
163.06125	54.7
179.05637	5.4
205.07175	13.7
235.08167	1.4
241.00273	3.4
241.09413	2.7
247.11874	3.9
265.09259	6.0
308.19202	1.4
322.21204	1.5
388.16812	1.8
390.17484	2.4
393.17651	32.9
394.18076	3.8
453.23251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	7.1
59.01379	29.5
61.42053	4.6
61.98820	17.8
69.38996	13.8
71.01384	18.2
73.02946	11.9
82.95409	5.5
83.01411	4.5
83.07378	4.1
85.02967	6.2
87.00877	12.6
96.96014	11.5
97.02981	5.0
99.00905	4.2
101.02422	14.0
102.66173	3.8
102.98590	36.5
111.00929	3.9
113.02464	4.3
120.99671	57.9
125.02423	6.6
134.03775	8.8
165.09239	37.2
173.00922	4.3
173.04483	4.0
193.08846	4.8
209.08186	100.0
210.08548	16.2
211.08743	18.6
233.08157	21.5
235.08788	6.9
249.06206	5.4
251.09248	8.7
275.62881	4.6
279.16989	4.7
283.04980	35.4
371.13400	25.3
373.13867	20.6
453.09137	56.5
453.21161	13.7
454.09052	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	7.1
59.01379	29.5
61.42053	4.6
61.98820	17.8
69.38996	13.8
71.01384	18.2
73.02946	11.9
82.95409	5.5
83.01411	4.5
83.07378	4.1
85.02967	6.2
87.00877	12.6
96.96014	11.5
97.02981	5.0
99.00905	4.2
101.02422	14.0
102.66173	3.8
102.98590	36.5
111.00929	3.9
113.02464	4.3
120.99671	57.9
125.02423	6.6
134.03775	8.8
165.09239	37.2
173.00922	4.3
173.04483	4.0
193.08846	4.8
209.08186	100.0
210.08548	16.2
211.08743	18.6
233.08157	21.5
235.08788	6.9
249.06206	5.4
251.09248	8.7
275.62881	4.6
279.16989	4.7
283.04980	35.4
371.13400	25.3
373.13867	20.6
453.09137	56.5
453.21161	13.7
454.09052	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02239	4.9
59.01379	100.0
61.98825	15.0
69.03457	40.9
71.01391	15.5
73.02944	15.5
83.01388	6.9
85.02956	10.6
87.00893	7.9
89.02457	7.0
97.02948	9.2
99.00874	18.8
101.02472	18.2
103.04023	51.8
161.10066	13.4
173.35698	5.6
185.00917	38.2
256.00653	5.0
308.04282	5.1
453.17154	12.2
453.22806	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98828	18.0
69.03456	10.1
71.01364	14.9
73.02946	8.4
83.85159	5.2
85.02985	7.2
87.04511	14.9
87.85267	5.1
89.02442	17.0
101.02448	11.0
103.04046	13.0
119.03462	5.8
127.05125	21.8
130.08751	23.0
134.03717	5.2
145.58250	6.5
152.08096	4.8
161.04576	7.9
168.54288	6.0
182.33705	6.2
185.00922	7.2
249.10966	5.8
289.08701	19.5
346.99094	6.7
359.09238	16.2
388.81726	6.5
393.24652	8.3
447.43567	6.1
453.21310	30.3
453.27969	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	34.7
59.15880	1.4
61.98830	5.1
69.03454	5.7
71.01378	6.6
73.02968	4.8
83.01342	1.6
85.02983	2.4
86.72382	1.4
87.00827	1.8
87.04524	5.3
89.02451	4.7
93.03455	24.2
97.02964	1.4
98.22665	3.3
99.00876	2.7
101.02440	5.2
103.03995	3.2
112.48532	1.5
113.02446	3.5
119.03506	1.7
127.05138	3.9
130.08728	6.1
134.03801	2.6
134.04919	1.6
141.25110	1.6
171.62396	1.6
185.00888	4.0
205.06618	17.3
221.09740	5.5
245.09737	2.9
247.07654	5.5
248.38226	1.8
253.05222	1.8
265.05087	4.6
272.38364	1.6
273.09198	4.2
275.06998	2.2
288.07904	5.5
289.08704	75.6
289.11920	3.7
290.09055	3.9
291.10385	4.5
303.83206	1.8
313.08752	3.6
315.10153	3.9
317.08258	4.3
331.09592	3.1
341.08246	4.1
359.09253	100.0
360.09583	7.0
393.25024	2.7
411.20172	1.9
453.13449	5.3
453.22220	6.3
453.28229	8.5
475.18628	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3374
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
61.98819	0.6
69.62729	1.0
69.63123	1.0
78.95924	0.6
82.96880	0.5
154.94664	0.6
208.08936	0.6
282.25024	0.7
283.25623	0.8
285.25861	0.5
302.96457	0.5
321.79572	0.5
345.91592	0.5
407.33173	1.4
453.33719	100.0
454.34091	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01378	97.6
60.01689	1.6
61.98822	5.0
63.29694	1.4
70.02969	1.5
71.01380	57.7
72.99314	1.9
73.02956	16.5
73.55375	1.3
77.32054	1.3
77.69776	1.3
79.95728	3.1
82.95383	2.1
83.01372	3.5
85.02935	11.2
89.02444	100.0
92.49391	1.3
95.95229	1.5
96.95994	11.5
98.21797	3.1
99.00859	3.2
101.02444	40.0
102.91853	1.4
110.85746	1.4
113.02448	11.5
113.07182	2.6
119.03494	6.1
125.02399	3.1
131.03511	26.6
143.03485	1.3
149.04550	76.6
150.04942	1.9
160.04028	4.9
161.04433	2.0
169.10313	1.3
187.11156	1.5
191.05595	10.0
293.10504	2.1
454.13947	2.4
454.22867	2.8
455.10068	7.2
455.15494	1.9
474.62839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98826	40.4
62.10817	3.0
69.03455	62.2
69.91131	3.3
70.03792	10.4
71.01389	19.0
72.99337	3.4
73.02946	25.6
75.00907	4.1
79.01865	4.0
81.60984	3.2
83.01404	5.5
85.02964	9.5
87.53563	4.0
89.02411	7.9
90.25749	3.3
96.96002	5.2
97.02937	8.9
98.21719	6.3
99.00844	17.0
99.04482	4.0
100.01192	5.1
101.02461	21.9
108.10068	3.4
113.02437	9.8
116.92927	4.0
128.03632	3.2
134.03770	18.6
135.04512	4.6
141.01935	4.4
148.31458	3.5
161.04543	7.8
173.04552	3.7
185.00940	36.8
186.01212	10.4
193.78958	4.3
196.80763	3.5
275.09314	3.4
307.11823	14.8
360.09546	7.9
395.20496	4.4
454.17615	9.5
455.18546	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98828	100.0
68.55486	0.3
71.43301	0.3
74.43886	0.3
122.89342	0.5
125.87320	0.6
127.87006	0.5
150.02478	0.4
167.67126	0.3
200.24033	0.3
236.71527	0.3
283.42575	0.3
318.02982	0.4
320.03458	0.5
372.07977	0.7
445.70224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
59.85951	0.4
61.98829	100.0
62.60072	0.4
69.35988	0.8
69.36384	1.6
78.84873	0.5
85.02949	0.5
90.02904	0.5
123.23930	0.4
127.87064	1.3
132.95029	0.4
202.19913	0.4
211.13380	1.5
227.59978	0.4
367.34433	0.4
416.10641	0.6
418.10681	0.6
455.27023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01375	3.2
61.25554	0.2
61.98825	2.6
62.09337	0.2
71.01378	1.0
72.99289	0.2
73.02949	0.5
75.00869	0.4
79.95741	0.2
84.93446	0.2
84.93863	1.2
85.02955	0.7
89.02437	0.3
96.96010	2.2
99.00888	0.6
99.92583	9.5
100.93359	10.1
101.02431	1.1
101.93356	0.5
103.00357	0.5
105.03526	0.2
114.93437	0.4
114.94916	0.3
115.92076	14.2
116.92859	100.0
117.92873	3.7
117.93658	0.4
129.01912	0.2
133.02939	0.6
140.92853	0.6
141.93684	1.0
142.94458	1.3
143.58504	0.2
156.92343	0.7
158.93916	0.3
161.04605	0.5
165.04066	0.6
173.92572	0.3
177.01994	0.6
183.94577	0.3
184.91818	1.6
184.95435	0.3
185.92598	0.3
196.95343	0.4
244.97508	0.3
249.13516	0.6
333.00659	0.8
337.03915	0.3
351.01776	2.6
352.02225	0.7
369.02863	3.5
370.02942	0.4
393.02960	1.2
395.19104	1.1
411.03836	3.5
412.03629	0.4
419.00793	1.5
440.40555	0.2
441.88208	0.2
455.02823	9.5
456.02975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.4
59.01382	19.7
61.98829	2.2
64.39549	0.7
69.76597	0.9
70.02980	1.3
70.62891	1.4
70.63255	0.9
71.01388	5.4
72.99300	1.1
73.02950	3.2
81.92786	0.8
82.02992	3.9
83.01394	2.2
84.04559	1.0
84.95109	1.7
85.02953	20.2
87.00871	1.0
88.04059	0.7
89.02449	1.5
95.05003	0.7
95.50675	0.8
96.96056	0.8
98.02483	5.3
99.00894	5.3
99.04526	4.5
100.04055	2.1
101.02460	12.9
101.06067	1.9
103.04015	9.6
107.03764	1.0
109.78400	0.8
113.02440	2.0
119.03527	1.0
122.99202	0.7
125.02448	2.2
127.05050	0.8
133.02979	3.7
134.03752	1.0
141.01627	0.8
144.03036	87.3
145.03362	2.0
147.06639	100.0
148.06985	3.1
150.05603	1.2
160.18054	0.8
161.04565	2.0
172.02531	21.4
175.06152	0.8
177.01953	2.3
217.09717	1.0
218.08220	2.4
234.07719	1.0
263.10510	4.5
263.14935	9.8
263.94086	1.0
279.09818	11.2
307.09332	27.9
308.09747	1.1
316.41800	0.8
395.19266	8.1
455.16876	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58321	2.0
55.09042	2.3
59.01379	100.0
61.98820	9.4
69.03452	12.6
71.01361	18.7
73.02943	13.0
85.02953	8.5
89.02444	17.1
95.01330	2.2
96.96005	6.1
97.02949	4.1
99.00896	5.9
101.02441	10.0
113.02451	8.4
116.92875	7.9
119.03522	7.2
143.58647	2.4
145.06256	2.4
149.04605	6.4
161.04573	5.6
179.05553	2.5
185.00916	9.4
191.05463	2.9
226.11287	2.3
375.14526	2.3
395.20758	11.6
411.13333	3.3
413.21631	3.7
455.16815	3.9
455.22803	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98808	57.5
64.65569	67.1
96.17686	63.1
125.60078	79.8
218.44597	64.1
229.86038	65.6
235.13493	73.4
450.93384	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96054	0.7
60.78882	0.9
61.60907	1.0
69.81440	2.4
73.61858	0.9
93.59853	0.8
96.52961	0.9
98.22540	1.2
99.92594	6.8
100.93362	42.3
101.93361	1.1
115.92075	100.0
116.92073	4.1
116.92870	8.6
132.92352	1.5
137.29242	0.8
155.95064	0.9
172.95477	8.1
178.01263	0.8
191.35757	0.8
407.18695	1.0
455.21078	6.6
456.21457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03428	2.1
59.01377	62.6
61.98824	1.9
69.03423	0.8
69.10456	3.0
69.10870	1.0
71.01382	27.3
72.99303	0.9
73.02945	16.8
74.99055	0.6
75.00868	1.0
82.99050	0.7
83.01383	11.5
84.14671	0.7
85.02949	17.9
86.00088	1.2
87.00895	1.3
87.08179	0.7
89.02444	4.0
95.01382	1.9
96.95982	1.1
97.02962	1.0
98.95596	0.8
99.00863	5.1
101.02436	42.9
103.04047	1.0
113.02444	14.3
119.03516	1.1
125.02442	1.8
129.02008	0.9
143.03505	1.2
159.03004	3.7
161.04553	10.7
165.04018	0.8
188.83882	0.7
213.87778	0.8
247.08221	1.0
249.13417	61.1
250.13737	1.9
303.04807	0.9
395.19196	100.0
396.19434	6.2
455.10233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72422	0.3
55.01880	1.8
57.03450	2.5
58.00595	0.5
59.01378	50.9
59.52541	0.2
60.01721	0.4
69.03443	1.4
69.25065	1.1
69.25467	0.5
71.01379	21.5
71.05033	0.5
72.99310	0.6
73.02943	10.8
75.00899	0.9
83.01377	4.2
85.02947	12.1
86.00095	0.6
87.00873	1.6
89.02439	4.4
91.08632	0.3
95.01376	2.4
96.96044	0.3
97.02943	0.9
98.03748	0.3
99.00883	3.2
99.04512	2.0
101.02438	12.6
111.00913	0.4
113.02444	7.2
119.03487	1.0
125.02482	0.8
129.01938	1.2
131.03442	0.3
136.22247	0.3
141.01956	0.3
143.03534	0.7
159.02965	0.8
161.04573	2.2
162.62859	0.3
233.15497	0.9
235.17024	15.2
236.17368	0.9
251.16531	4.8
252.16830	0.5
260.78088	0.3
369.22867	0.5
395.20688	6.6
396.21286	0.5
413.21783	14.9
414.22281	1.4
455.22836	100.0
456.23206	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58062	0.5
55.01881	1.2
57.03444	2.7
59.01377	100.0
60.01707	0.8
61.44839	0.4
61.98837	0.7
69.03464	1.7
69.33868	1.9
69.34276	1.1
71.01379	16.7
71.05048	0.7
73.02940	11.8
74.99081	0.6
75.00858	0.7
81.03445	1.8
81.71213	0.5
83.01386	4.3
83.04995	0.5
85.02951	7.0
86.00168	0.5
87.00891	1.0
89.02454	5.3
95.01398	1.3
95.05014	0.8
97.02968	1.4
98.50633	0.5
99.00886	1.6
99.04492	1.7
101.02439	12.8
108.08798	0.5
111.01997	1.0
113.02450	7.7
119.03505	1.7
123.04564	0.6
125.02446	5.4
128.03555	1.0
131.03439	0.7
131.04640	0.4
134.03751	1.1
135.04509	0.9
137.02406	0.8
137.09714	2.7
139.04012	0.6
139.36954	0.5
143.03516	1.5
149.04567	0.6
153.37735	0.7
161.04587	2.6
163.11205	0.6
167.03493	13.9
177.01970	0.6
178.02704	0.8
179.03491	0.6
197.04538	2.9
233.15508	1.1
235.17032	6.6
251.16533	2.1
293.10345	2.8
323.52127	0.5
329.08667	0.7
336.42969	0.5
385.34610	0.5
395.20724	4.2
413.21808	8.6
413.27048	0.4
414.22394	0.9
442.78638	0.6
455.22824	39.6
456.22668	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97915	1.4
59.01380	22.1
59.36168	1.4
61.98807	4.6
67.05528	1.9
69.03453	3.8
71.01372	24.3
73.02956	4.0
80.02656	2.5
81.03439	5.7
83.05020	7.8
84.02145	1.8
95.05009	3.6
97.02934	13.7
98.45477	1.6
99.00840	2.0
105.10735	1.5
107.05032	3.4
109.03008	1.6
109.06583	79.4
110.03759	7.7
110.06953	2.0
112.53727	1.5
121.06602	3.8
124.80989	1.8
125.06068	2.3
125.09732	2.9
135.08167	10.7
136.05280	2.8
137.09669	2.0
141.01697	3.6
142.02730	2.9
145.10193	2.0
161.09731	3.8
161.51274	1.5
162.83919	22.6
163.10008	2.8
163.11290	38.9
163.83965	2.4
164.11581	2.3
164.83607	12.4
165.12813	4.7
167.52303	1.8
171.10252	7.8
179.10837	1.6
181.12341	16.3
183.13899	14.3
184.14200	2.0
185.11871	3.4
189.09209	3.1
193.12311	2.3
199.09752	27.0
207.10252	100.0
208.10654	3.8
209.11760	3.4
211.11382	2.7
211.13403	51.6
212.13800	2.3
225.11301	37.7
227.12880	2.2
247.20660	2.0
291.19580	9.4
313.17841	3.2
373.19894	5.9
455.03671	7.5
456.03323	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55745	1.6
59.01376	15.9
61.98825	2.2
68.26796	1.8
70.76573	2.6
71.01385	31.0
72.33321	1.8
73.02947	2.6
80.02681	3.0
81.03479	7.3
83.05042	11.2
84.02135	3.1
88.52518	1.9
93.03445	3.1
97.02946	18.1
109.06593	92.5
110.03760	10.6
111.04485	2.3
121.06586	5.2
123.04530	2.8
123.08124	2.2
125.09781	2.0
126.01827	2.5
135.08133	10.6
136.05292	5.4
142.02727	3.3
155.10791	3.2
161.09727	4.0
163.11287	50.4
171.10207	8.7
181.12332	19.3
183.13911	14.5
185.11813	4.5
197.12012	2.5
199.09734	27.3
201.11395	2.0
207.10257	100.0
208.10675	4.0
211.13385	60.5
212.13821	2.8
216.81131	1.9
225.11317	36.9
226.11800	3.0
243.12349	4.3
455.31693	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98829	2.2
69.03458	2.2
69.30122	3.5
69.30510	2.1
71.01392	2.4
77.24135	1.3
83.05056	1.8
95.01392	2.3
95.05029	5.8
97.02953	3.5
109.06594	6.0
111.04505	2.0
135.08159	1.5
145.89124	1.9
151.11238	3.1
162.89342	7.9
163.11296	11.2
165.12827	2.9
169.12306	2.5
171.10318	3.3
181.12442	3.0
183.13908	15.5
187.58073	1.3
189.09232	3.0
197.11803	7.6
199.09572	2.1
199.13503	2.7
207.10274	16.9
209.11885	2.5
211.13388	100.0
212.13727	5.5
225.11346	18.4
226.11951	2.0
227.12793	7.0
237.75162	1.4
239.12936	7.1
247.59491	1.5
357.24380	3.3
393.26456	2.7
395.16022	1.5
401.23288	2.1
455.09818	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03436	1.0
58.00601	1.4
59.01378	100.0
61.98804	1.1
63.99989	0.8
71.01380	49.3
72.99310	2.4
73.02942	1.8
80.37543	0.7
83.01390	3.4
85.02943	9.7
87.00878	2.6
89.02444	66.2
90.02773	1.0
95.01396	3.1
101.02443	34.2
113.02448	20.8
119.03502	34.3
119.48812	0.7
125.71906	0.8
131.03496	2.6
143.03500	5.0
149.04538	2.5
157.20819	0.8
161.04533	3.6
174.91508	0.8
179.05591	8.0
180.05820	0.9
185.11839	1.5
209.11885	1.3
221.46255	0.9
227.12930	1.3
275.17191	1.6
275.20169	28.8
276.20364	0.9
293.21240	10.4
352.06058	0.8
455.26511	35.9
456.26843	2.5
465.99472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98807	6.7
72.51509	1.8
74.56243	1.9
78.95895	6.1
109.02980	3.6
109.06552	4.5
150.48386	1.9
152.99570	9.0
153.12900	4.1
163.11276	6.9
165.09184	5.2
165.12825	4.5
170.05925	3.9
179.10712	6.2
181.12343	100.0
182.12657	4.8
185.11783	2.2
197.11775	3.7
199.11636	3.4
199.13390	42.1
207.10362	2.6
227.16650	2.7
227.20155	36.8
228.96028	2.0
273.97394	2.8
363.25351	9.1
381.26266	7.4
455.24207	22.6
455.29758	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44745	0.8
66.97202	0.8
71.42317	0.9
75.31168	0.8
138.44223	0.8
199.57167	0.8
247.45561	0.9
293.20972	0.8
397.73834	0.9
455.35303	100.0
456.35638	12.1
460.03989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
68.93483	0.4
69.38934	1.6
98.22729	0.4
122.87843	0.3
335.81454	0.4
357.95535	0.4
407.33270	1.2
455.35303	100.0
456.35623	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75325	0.4
57.03446	0.7
59.01375	7.6
60.01714	0.5
61.09678	0.3
61.98828	100.0
69.03403	0.4
69.40486	1.5
71.01381	1.5
71.94751	0.3
73.02954	1.1
79.95740	0.7
85.02946	3.9
86.08326	0.3
89.00648	0.4
89.02457	1.5
96.96010	5.0
99.92593	0.5
101.02443	2.8
101.06095	0.8
103.04023	2.2
105.03509	0.4
116.92860	0.7
119.03558	0.6
121.02956	0.5
130.08766	0.5
133.02950	3.0
134.03586	0.9
135.04520	4.9
137.02489	0.5
145.01471	0.4
147.02991	1.1
147.06628	21.4
148.07037	0.8
150.03316	0.5
161.02434	1.2
165.04028	0.8
166.06345	0.6
177.02007	1.4
178.02332	0.9
179.03505	4.1
191.05803	0.4
193.05087	0.4
225.60513	0.4
295.10321	6.9
309.06302	1.3
456.11853	0.6
456.18146	0.5
456.28976	0.6
457.11612	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03426	0.8
59.01374	7.1
60.01701	0.4
61.98826	100.0
70.47535	0.4
70.97718	0.6
71.01369	1.9
72.99337	0.4
73.02944	1.3
75.00881	0.3
76.81759	0.3
77.66158	0.4
78.25117	0.4
78.95897	0.5
82.70140	0.3
82.95415	0.4
83.04997	0.4
83.30413	0.4
85.02941	5.0
89.02444	1.1
90.95451	0.3
95.95253	0.5
96.96008	4.9
99.00885	0.6
101.02422	2.5
101.06114	0.3
103.04002	2.5
105.03447	0.5
106.03813	0.5
113.02472	0.5
122.59687	0.3
129.01961	0.4
133.02953	3.9
134.03375	1.1
135.04521	6.9
137.02434	0.6
142.74635	0.4
147.03004	1.3
147.06628	28.4
148.06993	1.3
149.04626	0.4
161.02426	1.7
161.04535	0.5
165.04059	0.9
177.01944	1.2
178.02380	1.3
179.03479	5.3
181.77176	0.4
191.05766	0.7
195.06764	0.4
236.30835	0.4
266.10193	0.4
275.02380	0.4
275.49112	0.4
295.10309	9.0
309.06241	2.6
452.73700	0.5
457.11594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54198	25.0
56.70216	25.3
59.01374	61.1
61.98819	62.8
69.62612	100.0
78.12898	21.8
79.97490	26.6
96.71114	25.4
109.06629	39.8
199.09801	42.0
201.80141	29.4
206.52470	29.4
207.10237	51.4
211.13470	44.8
212.13640	35.0
374.99509	29.9
461.55020	25.4
483.58707	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
59.01378	100.0
60.01690	1.3
61.98829	8.7
65.32214	1.1
69.03458	1.7
69.09155	7.9
71.01379	13.0
73.02933	5.7
77.89697	1.2
82.51825	1.2
82.95368	1.1
83.01368	2.1
85.02941	4.9
89.02438	9.7
95.82217	1.1
101.01904	1.0
101.02444	9.5
104.46807	1.2
112.14257	1.1
113.02435	9.8
113.03555	2.9
114.01935	3.8
119.03461	2.8
125.30228	1.3
131.04611	9.5
134.03748	2.4
135.04111	1.3
143.03459	1.3
161.04529	4.3
179.05505	1.5
209.11731	2.0
210.48409	1.3
263.81717	1.2
307.11902	1.4
308.12076	3.2
325.19852	2.1
397.22281	2.2
415.23254	2.3
456.26434	1.5
457.24786	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.0
59.51565	23.8
69.63869	66.2
105.34309	20.6
114.98729	18.8
134.11891	21.2
141.09203	98.2
195.13814	29.1
197.15488	33.7
198.90594	20.4
199.25757	20.1
210.32458	25.0
226.53665	22.1
237.14886	30.0
239.16551	61.5
251.78212	19.0
269.17664	100.0
326.33191	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.3
61.98829	1.7
63.33955	0.6
71.01371	3.5
72.99316	0.7
73.02941	1.9
74.01854	0.6
80.96513	2.1
82.95428	0.9
83.01392	0.7
85.02957	2.1
87.00863	0.7
88.04037	1.0
88.98822	0.6
89.02438	2.8
96.95994	2.4
99.00881	2.3
101.02441	3.1
102.05589	1.4
113.02454	0.9
115.08783	0.7
116.92860	0.7
119.05025	100.0
120.05378	3.8
125.02425	1.2
128.03499	3.6
135.04468	0.6
143.82362	0.5
154.06273	0.7
161.06058	0.9
163.04004	60.0
164.04373	2.3
173.04428	0.7
179.07054	1.1
191.05638	0.6
193.05029	0.6
205.05063	1.2
217.00417	0.7
293.08737	1.0
421.20731	1.0
457.13504	66.1
457.26837	2.6
458.13715	6.1
458.26157	0.8
474.28488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03439	3.3
59.01380	40.7
61.12806	1.1
61.98832	30.5
69.03443	1.2
69.66315	1.1
71.01395	7.4
73.02942	8.5
75.57537	1.3
82.17607	1.3
82.95374	1.4
85.02948	17.9
89.02437	4.7
90.50874	1.1
96.96004	2.8
98.77039	1.2
99.00863	1.8
101.02431	16.1
103.04021	7.4
108.02217	1.4
109.01656	2.3
109.02919	1.4
113.02441	2.8
114.05576	1.4
115.92024	1.6
119.03539	1.3
128.60414	1.2
129.01970	1.9
130.08733	1.5
133.02896	2.8
134.03772	6.0
135.04529	25.4
143.03410	1.4
145.01416	2.9
147.02974	5.0
147.06636	100.0
148.06966	1.5
152.01143	1.2
161.02438	5.4
161.04521	2.8
165.04056	2.8
165.75461	1.1
167.03419	1.5
171.10141	1.3
179.03482	21.0
210.07663	1.6
215.08279	1.4
221.11870	1.3
228.17110	1.4
231.10306	1.3
295.10333	41.5
295.13626	2.3
295.19193	1.4
296.10699	2.0
309.06216	8.5
421.48187	1.4
457.13266	1.9
457.20276	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61766	0.3
55.01875	4.1
57.03454	2.3
58.54306	0.3
59.01384	6.5
61.98831	1.9
65.59083	0.3
65.88158	0.3
69.26631	0.3
69.49366	1.4
71.01378	2.6
73.02940	2.1
75.00877	0.5
81.03396	0.3
83.01377	0.6
84.44599	0.3
85.02946	14.2
85.03465	0.7
86.03277	0.4
86.92214	0.4
89.02438	1.7
96.95997	0.7
101.02439	8.4
101.06042	1.7
103.04011	9.2
105.22428	0.4
107.05045	0.4
113.02464	0.8
116.12730	0.4
119.03497	0.6
129.01981	0.7
133.02975	2.3
134.03767	2.7
135.04530	27.5
136.04843	0.9
145.01472	0.6
147.03006	6.4
147.06635	100.0
148.06979	3.3
161.02467	7.3
165.04073	0.6
179.03508	20.9
180.03893	0.7
295.10333	37.7
296.10760	2.0
296.60080	0.3
309.06155	7.6
310.06589	0.6
314.45706	0.3
415.23340	0.7
457.12674	0.6
457.25015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03447	0.9
59.01377	90.4
60.17884	0.5
61.98841	0.7
69.03450	1.4
69.32453	1.8
71.01379	35.5
72.99306	0.7
73.02944	45.1
74.43248	0.5
81.03432	0.8
82.95466	0.5
83.01376	6.2
85.02949	7.9
87.00867	4.7
89.02443	38.0
95.01389	1.3
96.96041	0.5
97.02951	1.5
99.00878	100.0
100.01209	2.0
101.02441	25.8
108.28302	0.5
109.02978	0.5
112.91211	0.4
113.02448	16.7
119.03497	4.6
125.02451	4.8
127.13044	0.5
131.02519	0.8
131.03496	13.1
135.04529	0.9
142.62894	0.5
143.03506	5.0
149.04555	38.2
150.04929	0.8
153.01924	0.5
155.03523	4.0
161.04552	11.8
179.05550	1.0
181.16760	0.5
191.05606	43.7
192.05896	1.3
203.05620	17.5
221.06497	0.8
226.89903	0.5
233.06654	4.8
241.10916	0.5
247.73613	0.5
253.54100	0.5
273.00668	0.5
293.08698	0.7
323.15747	0.6
335.09558	0.9
380.45963	0.5
415.16074	9.6
440.56195	0.6
451.70947	0.7
457.17096	18.5
458.17508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67184	0.5
57.03447	2.6
59.01381	3.7
61.98832	0.9
64.82394	0.4
69.76873	1.5
72.51849	0.4
73.02942	1.1
85.02950	12.2
96.96000	1.1
99.00902	1.0
101.02444	5.2
101.06074	2.0
103.04012	7.8
119.05009	2.8
139.28642	0.5
143.71719	0.5
147.06638	100.0
148.07005	2.4
163.03984	1.5
217.00272	3.3
285.16437	0.6
374.99399	1.3
376.58939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91329	0.2
57.67705	0.2
58.89777	0.2
64.98656	0.2
66.63435	0.2
69.09665	0.6
69.10076	1.2
70.98725	0.2
82.39562	0.2
84.93858	0.4
90.95094	0.3
94.35956	0.2
96.89327	0.3
98.95443	0.5
99.92576	8.2
100.93361	58.2
101.93372	2.0
102.75025	0.3
107.27496	0.2
115.92075	100.0
116.92087	3.4
116.92863	9.5
117.92845	0.3
126.94900	0.4
132.92371	1.0
142.94463	0.7
155.95262	0.4
156.69812	0.3
172.95459	3.5
283.26395	1.7
383.18759	0.4
409.20523	0.7
457.22644	2.7
457.36874	0.6
458.22705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16621	0.3
51.70807	0.3
55.01878	0.9
57.03444	1.0
59.01379	100.0
59.05267	0.3
60.01725	0.7
69.03451	0.6
69.12240	1.1
69.12646	0.9
71.01382	16.0
73.02947	5.1
78.50034	0.3
83.01397	1.7
85.02949	7.7
87.00883	0.9
89.02440	8.0
95.01380	2.4
97.02962	0.7
99.00899	1.4
101.02451	9.4
113.02451	18.3
114.02918	0.3
115.04073	0.3
119.03481	2.7
125.02435	0.9
130.11775	0.3
136.89822	0.4
143.03539	1.3
161.04564	4.2
165.12839	0.8
179.05748	0.4
191.87500	0.3
253.96170	0.4
327.18256	0.7
397.22290	13.0
398.22668	1.0
410.93201	0.4
415.23340	9.7
416.23737	0.8
457.24158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54544	0.2
53.81426	0.2
55.01880	0.4
56.93810	0.2
57.03448	0.9
59.01379	100.0
60.01714	0.5
69.03450	0.4
69.36407	1.2
71.01381	9.2
73.02950	2.3
75.00885	0.2
81.03487	0.6
83.01402	1.0
85.02953	3.7
87.00908	0.6
89.02438	4.6
95.01415	0.9
97.02972	0.5
99.00910	0.9
99.04559	0.5
99.08187	0.7
101.02444	5.1
112.33749	0.2
113.02448	5.6
119.03506	1.4
123.04517	1.6
125.02473	0.5
127.07671	0.8
132.94232	0.3
139.11159	0.3
143.03537	0.7
148.05331	0.7
149.04489	0.3
153.05511	0.6
158.59721	0.2
159.03038	0.6
161.04550	4.1
179.05614	0.4
185.16696	0.3
202.71556	0.2
293.08893	0.4
397.22388	1.8
413.23886	0.3
415.23386	3.5
457.24985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03441	1.0
57.59101	0.4
58.74035	0.4
59.01377	100.0
60.01713	0.7
61.98808	0.5
69.30067	2.2
71.01382	13.1
73.02945	9.6
79.53189	0.4
83.01377	2.2
83.05022	0.5
85.02943	4.1
89.02442	7.5
95.01411	1.4
95.18218	0.4
99.00877	0.6
101.02441	9.4
113.02446	13.6
116.99494	0.4
119.03488	2.9
131.03607	0.6
131.04663	1.4
143.03520	1.4
161.04541	4.4
179.05638	1.3
207.40211	0.4
229.15651	0.6
249.22954	0.4
303.20996	0.4
319.92474	0.5
325.20215	0.6
396.25937	0.6
397.22375	3.8
406.85818	0.4
415.23499	3.3
457.24457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01378	100.0
60.01708	0.9
70.51305	0.6
71.01379	5.8
73.02933	1.6
83.01413	0.6
83.05040	0.5
85.02944	2.7
89.02431	2.6
95.01418	0.7
99.00894	0.9
101.02448	4.1
103.50146	0.3
113.02454	2.9
119.03479	0.6
124.02940	0.3
124.84632	0.3
159.02986	0.7
161.04567	3.1
235.17007	0.5
237.18680	0.4
242.86063	0.4
397.22266	7.3
398.22757	0.7
415.22971	0.5
457.24509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03423	0.5
58.00605	0.5
59.01377	100.0
60.01732	0.5
69.03457	0.6
69.08523	2.4
71.01378	19.8
72.99314	0.4
73.02943	16.1
83.01389	3.7
85.02943	3.7
86.84315	0.4
87.00859	0.8
89.02446	17.9
95.01408	1.6
95.20129	0.4
101.02438	16.6
101.03095	0.8
105.84176	0.4
113.02446	14.3
119.03511	7.4
125.02480	0.6
125.16214	0.4
131.03531	2.0
131.04642	2.1
132.03030	0.8
133.35008	0.4
143.03448	2.0
149.04619	1.2
160.09355	0.4
161.04555	4.1
179.05603	2.1
293.79251	0.5
294.39014	0.4
303.92572	0.4
325.20203	0.5
397.22354	0.6
415.23108	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.31420	0.2
57.03449	0.5
58.00587	0.3
59.01377	100.0
60.01716	1.0
69.03452	0.7
71.01379	17.5
72.99316	0.4
73.02946	17.3
74.03288	0.3
75.00880	0.5
75.81159	0.2
81.03462	0.3
83.01387	4.5
84.02223	0.2
85.02950	3.7
87.00905	0.7
89.02440	16.9
95.01405	1.2
97.02948	0.3
98.22620	0.3
99.00902	0.3
101.02439	16.3
102.02800	0.3
113.02438	10.8
119.03501	5.4
125.02455	0.6
131.03534	1.6
131.04590	0.4
143.03477	1.6
149.04599	1.0
155.03537	0.6
161.04558	3.1
179.05551	1.6
191.05676	0.4
221.06738	0.3
238.14517	0.3
340.30402	0.3
391.27380	0.2
397.22403	0.4
415.23587	0.5
457.25067	0.3
457.32730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
56.22889	0.2
57.03446	1.1
59.01377	100.0
60.01705	0.8
61.13477	0.2
65.53664	0.3
69.03458	0.3
70.59207	0.2
71.01380	18.8
72.01693	0.2
72.41814	0.3
72.99351	0.3
73.02941	7.9
73.75043	0.2
75.35762	0.2
83.01384	2.0
85.02950	7.2
87.00874	0.8
89.02441	11.3
95.01371	2.2
97.02982	0.3
99.00903	1.0
101.02438	10.1
108.23195	0.2
110.95140	0.2
112.01663	0.3
113.02446	21.2
119.03486	3.9
119.04179	0.3
125.02466	0.5
131.03568	0.9
133.44032	0.2
143.03511	1.8
149.04517	0.5
161.04556	3.6
179.05560	1.5
233.12164	0.3
238.08568	0.4
253.10957	0.7
253.18044	0.4
322.61783	0.3
397.22302	8.6
398.22791	0.4
415.23279	4.9
415.28162	0.3
416.23447	0.3
421.20767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03435	0.6
59.01379	100.0
60.01721	0.7
61.98825	0.2
69.03473	0.3
69.41665	0.6
71.01381	9.7
73.02948	4.4
81.03468	0.4
83.01376	1.2
85.02951	3.1
89.02447	4.8
95.01407	0.7
99.00906	0.5
99.04520	0.2
101.02444	6.5
113.02446	7.1
113.03620	0.7
114.01990	0.6
116.70087	0.2
119.03488	1.8
128.52051	0.2
131.03592	0.4
131.04645	1.8
143.03545	0.6
149.04533	0.2
161.04559	2.5
179.05658	0.8
297.83966	0.2
297.87878	0.2
325.20151	0.2
338.03079	0.2
379.21573	0.2
397.22217	1.5
409.61346	0.3
415.23309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
57.85931	0.2
59.01378	100.0
60.01715	0.6
61.98823	1.3
62.68780	0.3
71.01376	7.7
72.99335	0.3
73.02942	5.0
83.01395	0.8
83.05058	0.2
85.02936	2.6
87.00858	0.4
89.02440	5.2
93.03535	0.2
95.01406	0.8
97.02958	0.2
99.00888	0.3
101.02454	5.2
102.05571	0.3
102.51281	0.3
110.34340	0.3
111.00899	0.3
113.02442	3.6
116.92877	0.3
119.03506	1.7
125.02544	0.3
128.03578	0.3
131.03526	0.4
131.04601	0.3
135.04593	0.2
143.03523	0.7
161.04552	1.5
173.04561	0.6
173.96194	0.2
179.05649	0.5
185.10042	0.2
188.75311	0.2
191.05687	0.6
198.89551	0.3
229.15700	0.4
243.14935	0.2
333.69971	0.3
397.22354	1.4
415.23462	1.4
457.26105	0.3
458.28165	0.3
462.89648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80087	4.1
58.22456	3.1
59.01378	100.0
61.98820	7.8
66.01444	3.5
69.91068	9.1
81.22045	3.4
83.53518	3.8
95.53018	3.2
97.54285	3.2
111.69667	3.8
149.79015	3.9
164.83627	5.9
168.51820	3.3
217.36807	3.3
279.23135	3.9
297.24356	34.3
304.82410	4.0
339.25333	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65998	0.5
55.01864	2.0
56.41656	0.4
57.03441	4.0
58.94240	0.4
59.01380	26.5
63.56487	0.4
69.03452	0.5
70.33974	0.9
71.01382	18.7
72.99279	0.6
73.02946	4.6
83.01385	2.2
85.02956	10.1
87.00871	0.9
89.02451	6.0
95.01386	1.4
98.21988	0.6
99.00864	1.6
101.02447	8.5
113.02460	4.8
113.09721	4.8
119.03489	1.6
129.01944	1.0
173.30707	0.5
174.99236	1.3
179.14400	1.5
181.12361	0.9
195.13878	2.2
217.00316	5.4
220.14658	1.2
221.15401	2.4
236.10617	2.4
251.23740	0.6
277.21692	4.5
279.23288	3.7
293.17542	0.8
295.22781	62.1
296.23062	3.8
296.51230	0.5
313.03430	1.1
359.13101	0.6
374.99329	3.1
375.17618	1.1
416.01495	0.6
439.27499	0.8
457.28067	100.0
458.28467	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	27.8
59.87408	8.4
61.98828	41.8
78.56908	10.1
83.90484	9.5
104.73540	8.8
141.09058	8.5
149.08667	9.1
151.46710	8.5
162.89374	10.8
165.12840	16.7
171.10246	71.3
183.13910	44.2
194.57709	11.3
209.11774	9.8
211.13437	61.1
215.12830	52.2
216.95807	10.4
217.00253	24.3
227.07225	17.4
227.12901	100.0
228.13461	10.2
245.13950	11.1
247.15480	67.7
319.60095	9.4
346.07449	10.1
374.99191	12.8
427.17416	28.8
442.19855	21.1
457.22336	35.0
457.28323	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91628	1.9
59.01380	10.0
61.98820	7.2
64.89352	2.2
68.66808	2.4
69.27441	8.8
71.01382	6.8
85.02945	3.9
85.05483	1.9
86.59606	2.2
88.04036	5.1
89.02446	5.9
93.03432	2.0
96.95994	4.3
98.22670	4.0
99.00871	4.1
101.02436	3.7
109.28821	2.1
113.02455	2.5
119.05042	19.1
120.05374	16.4
127.28156	2.3
128.77010	2.0
146.03734	27.1
161.04781	3.0
161.06085	12.6
163.04025	14.1
164.04703	22.0
165.05502	2.8
169.09862	2.5
179.07130	100.0
180.07312	2.4
218.43332	2.2
242.85568	2.0
267.02777	2.8
296.03235	3.0
297.04166	3.0
399.16788	3.3
403.99323	2.0
414.23630	6.3
415.16452	2.7
458.13901	25.4
458.26120	7.6
459.09070	5.7
459.14987	2.9
459.20697	4.0
480.79501	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.9
55.57626	1.7
59.01377	35.9
61.98817	6.1
69.00912	1.8
69.70719	6.2
71.01380	38.6
72.99307	1.9
73.02949	13.9
74.02473	2.8
77.71812	1.7
78.11581	1.7
79.37038	1.9
83.01401	8.1
85.02946	15.2
87.00856	2.0
89.02420	10.4
95.01419	1.9
97.02983	2.5
98.21924	4.0
99.00874	5.8
101.02436	36.1
113.02469	15.4
115.77924	1.8
125.02487	3.6
129.76266	1.8
130.08733	3.8
132.02156	2.2
134.03743	3.3
134.77060	2.3
143.03476	2.3
155.14287	2.0
159.03036	2.4
160.01659	8.6
161.04549	16.7
165.05547	3.5
175.04007	12.1
193.05055	5.1
233.08015	1.8
269.10303	48.7
270.10703	3.2
338.21521	2.2
415.16083	100.0
416.16190	7.8
423.10574	2.2
458.26392	9.2
459.09460	2.8
459.15146	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91808	0.2
55.01872	0.5
55.62090	0.3
57.03437	0.6
59.01376	100.0
60.01708	0.7
61.98836	0.6
64.10047	0.2
69.03437	0.2
69.23860	1.0
71.01377	10.8
73.02940	2.8
75.00883	0.2
83.01374	1.0
84.02219	0.2
85.02946	4.0
87.00881	0.3
87.04516	0.6
88.04043	0.4
89.02439	4.4
95.01423	1.1
98.64360	0.2
99.00901	0.7
101.02435	4.9
113.02444	7.0
113.03624	0.4
114.01937	0.3
119.03512	1.3
125.02528	0.3
131.03615	0.5
131.04662	0.8
132.03026	1.0
143.03519	0.7
159.03073	0.3
161.04570	3.3
161.05859	0.3
179.05609	1.4
209.11826	0.6
211.13582	0.2
255.19673	0.3
294.20721	0.2
325.20352	0.5
326.20636	0.3
369.23001	0.2
398.22913	0.4
399.23856	7.2
399.29108	0.4
415.23334	0.2
416.23666	0.3
417.24927	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29850	0.3
55.01882	0.6
57.03438	0.7
59.01378	100.0
59.21409	0.2
60.01712	2.0
61.98830	1.0
65.38104	0.3
71.01381	10.3
72.01723	0.3
72.99314	0.3
73.02943	3.8
83.01391	1.3
84.02165	0.3
85.02948	3.8
87.00896	0.5
87.04521	0.7
88.04069	0.5
89.02444	6.7
95.01391	1.1
98.21879	0.5
99.00881	0.7
99.04516	0.3
101.02439	5.5
102.02771	0.4
113.02449	8.9
114.02060	0.4
114.02811	0.6
115.00384	0.4
119.03497	2.8
125.02457	0.5
131.03653	0.4
131.04663	1.4
132.03017	2.8
142.07268	0.3
143.03476	0.6
159.02986	0.6
161.04568	3.9
179.05623	2.1
209.11871	1.0
291.51749	0.3
307.19312	0.8
325.20081	1.3
354.41162	0.3
398.22885	0.6
399.23831	5.8
415.23691	0.4
416.23807	0.7
417.24939	3.5
459.25934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91808	0.2
55.01872	0.5
55.62090	0.3
57.03437	0.6
59.01376	100.0
60.01708	0.7
61.98836	0.6
64.10047	0.2
69.03437	0.2
69.23860	1.0
71.01377	10.8
73.02940	2.8
75.00883	0.2
83.01374	1.0
84.02219	0.2
85.02946	4.0
87.00881	0.3
87.04516	0.6
88.04043	0.4
89.02439	4.4
95.01423	1.1
98.64360	0.2
99.00901	0.7
101.02435	4.9
113.02444	7.0
113.03624	0.4
114.01937	0.3
119.03512	1.3
125.02528	0.3
131.03615	0.5
131.04662	0.8
132.03026	1.0
143.03519	0.7
159.03073	0.3
161.04570	3.3
161.05859	0.3
179.05609	1.4
209.11826	0.6
211.13582	0.2
255.19673	0.3
294.20721	0.2
325.20352	0.5
326.20636	0.3
369.23001	0.2
398.22913	0.4
399.23856	7.2
399.29108	0.4
415.23334	0.2
416.23666	0.3
417.24927	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00324	3.9
59.01378	100.0
60.01701	6.4
61.98824	7.4
66.36893	3.6
69.36035	12.8
71.01379	29.0
72.01743	4.4
73.02940	19.8
74.03280	4.8
75.93963	3.6
85.02949	10.0
87.00897	7.1
88.04084	4.6
88.98808	5.2
89.02442	29.2
98.22561	6.0
99.00816	4.1
101.02443	23.5
113.02473	12.8
119.03494	15.8
131.04639	12.9
132.03026	5.8
144.38387	4.0
145.57529	4.2
153.53134	5.0
161.04576	5.4
179.05681	7.2
295.27142	4.0
415.23386	17.7
437.15298	4.2
458.24884	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98829	8.2
67.95825	6.1
68.24117	6.5
71.01386	41.8
71.90477	6.8
80.75071	7.4
83.55247	6.3
85.02953	17.2
89.02442	51.9
101.02451	29.0
108.21593	7.4
111.51338	6.1
113.02439	27.1
117.30959	7.1
119.03577	14.2
161.04536	20.6
175.16953	7.0
179.05551	11.3
183.59200	7.2
198.84933	6.0
209.11821	8.0
296.18921	6.2
314.82669	7.1
318.70215	7.7
325.20096	8.5
415.23157	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	11.3
59.01379	100.0
61.98825	66.1
71.01382	59.8
73.02955	11.2
83.41791	7.1
85.02953	25.2
87.00880	9.8
88.04066	19.6
89.02435	72.2
89.76292	7.7
100.93330	9.3
101.02466	48.9
105.31764	7.4
113.02448	28.3
116.92851	10.6
119.03521	33.6
149.09782	8.0
156.12718	7.8
161.04567	49.2
179.05675	13.4
196.73172	7.8
250.90640	7.0
262.66666	7.8
272.64767	7.5
301.88675	7.0
351.10635	8.0
415.23413	58.7
458.23990	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01078	0.7
59.01378	13.0
61.98834	3.2
71.01378	8.4
72.00899	1.5
72.99322	0.5
73.02944	46.6
74.02464	1.8
74.03255	0.6
75.00864	0.5
82.03147	0.4
85.02946	7.1
87.00876	1.1
89.02443	10.1
90.43963	0.5
96.68122	0.5
96.96036	0.5
99.00888	4.6
101.02451	4.3
102.36427	0.5
113.02443	3.6
116.07188	0.8
116.92852	1.0
116.96002	0.6
116.97224	2.2
117.01942	100.0
118.02294	1.3
118.05112	5.6
119.03517	4.5
131.03523	0.6
131.04582	0.7
143.03551	0.6
145.06175	1.2
147.03008	1.2
147.06630	0.5
149.04482	0.8
161.04552	1.8
179.05573	5.0
180.06033	0.6
191.02005	3.8
191.05658	2.4
197.04561	1.5
285.06140	0.6
297.13382	1.1
341.10870	14.8
342.11182	2.1
423.02954	0.6
459.14053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.7
59.01381	79.6
70.28746	2.9
71.01383	44.0
73.02947	74.2
80.71536	2.3
84.28355	2.2
85.02952	62.4
85.54865	2.4
87.00888	5.5
89.02446	58.2
95.36536	2.0
98.21869	2.9
99.00893	7.1
101.02457	26.3
103.77042	2.4
111.00890	3.7
113.02428	14.0
116.92864	10.9
117.01948	100.0
118.05109	3.2
119.03523	19.2
129.01935	5.0
131.03503	3.5
133.01363	2.8
143.03481	5.2
147.02963	8.5
147.06645	8.5
161.04544	9.7
169.37010	2.7
175.16682	2.6
179.05647	28.3
191.01984	31.6
191.05643	10.7
209.03059	6.7
228.97562	6.1
246.98535	3.9
279.10693	3.7
341.10867	75.5
342.11224	6.5
385.07541	3.0
412.14676	2.7
418.33658	2.6
423.03503	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61474	0.7
57.03439	0.8
59.01377	100.0
60.99304	2.6
61.98831	2.0
69.03426	1.5
71.01388	6.2
73.02930	6.3
74.03266	0.9
74.45455	0.7
78.95920	0.8
80.96056	0.8
81.03477	1.4
83.01395	1.2
85.02964	2.6
87.00890	2.2
88.04071	1.1
88.98798	16.9
89.02435	12.6
96.96044	0.7
97.02954	1.5
99.00880	5.7
99.04530	1.4
100.01223	1.0
101.01308	1.6
101.02436	3.9
113.02461	2.1
116.92858	0.8
119.03525	1.4
123.04564	3.2
125.02562	0.8
125.88731	0.8
134.03758	2.6
141.05637	1.2
147.00905	1.0
149.04590	1.8
151.04057	0.8
152.58420	0.8
161.04588	1.2
179.03517	4.8
191.05592	1.7
195.10266	1.0
196.52492	0.7
207.02972	25.7
208.03452	0.7
222.05318	27.0
223.05708	1.0
226.74304	0.8
237.07668	54.0
238.08060	1.9
255.10278	3.5
347.16510	0.9
416.41193	0.9
455.24826	0.8
459.17523	1.7
459.23477	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Paeonolide
Peak:m/z	Relative Intensity
59.01378	26.7
61.98541	1.2
61.98821	5.2
69.08206	1.2
71.01374	11.0
73.02947	3.1
78.91888	1.1
83.01410	2.2
85.02950	4.3
88.04043	1.7
89.02457	4.6
93.03448	6.4
96.95998	6.3
99.00895	8.5
101.02451	5.4
113.02447	4.4
115.21859	1.0
116.92855	2.3
119.03474	0.9
119.05038	2.8
121.06597	8.3
150.03268	1.8
161.04527	2.2
165.05565	100.0
166.05917	3.9
180.07533	1.7
180.95992	1.1
207.06795	1.2
223.06197	1.2
260.55594	1.4
267.03000	1.8
268.03543	1.1
271.59198	1.0
293.08591	1.3
296.03293	3.8
297.03970	2.4
312.61945	1.4
327.10660	2.2
335.50598	1.1
360.79660	1.1
395.90817	1.2
399.16550	2.0
459.15121	99.7
460.15347	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76523	0.3
55.01870	0.6
57.03456	1.0
58.00567	0.3
59.01379	100.0
60.01709	1.0
61.01810	0.6
61.98838	1.5
69.03446	0.4
70.67842	0.3
71.01382	14.3
72.99301	0.3
73.02949	6.6
75.00883	0.3
83.01391	2.1
85.02950	5.5
87.00886	1.0
87.04530	0.9
87.34829	0.3
88.04041	0.3
89.02448	4.9
95.01404	1.2
95.02535	0.5
97.02979	0.4
99.00902	1.2
101.02447	9.4
101.03097	0.6
104.14357	0.3
107.01180	0.3
111.00904	0.9
113.02450	7.2
113.03586	1.3
114.01987	1.1
116.92923	0.4
119.03491	2.0
122.80601	0.3
125.02478	0.5
131.04625	4.3
132.03075	0.4
143.03528	0.8
149.33450	0.3
159.03055	0.8
161.04561	4.1
173.04500	0.3
179.05652	0.9
191.05688	0.5
204.42085	0.3
239.16611	0.5
255.19769	1.1
291.18097	0.4
297.20688	0.6
327.21783	0.8
329.19870	0.7
381.22705	0.6
399.23859	10.9
400.24127	0.7
410.01382	0.3
417.24960	9.6
418.25488	0.9
423.22433	2.6
459.19693	1.4
459.26404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76523	0.3
55.01870	0.6
57.03456	1.0
58.00567	0.3
59.01379	100.0
60.01709	1.0
61.01810	0.6
61.98838	1.5
69.03446	0.4
70.67842	0.3
71.01382	14.3
72.99301	0.3
73.02949	6.6
75.00883	0.3
83.01391	2.1
85.02950	5.5
87.00886	1.0
87.04530	0.9
87.34829	0.3
88.04041	0.3
89.02448	4.9
95.01404	1.2
95.02535	0.5
97.02979	0.4
99.00902	1.2
101.02447	9.4
101.03097	0.6
104.14357	0.3
107.01180	0.3
111.00904	0.9
113.02450	7.2
113.03586	1.3
114.01987	1.1
116.92923	0.4
119.03491	2.0
122.80601	0.3
125.02478	0.5
131.04625	4.3
132.03075	0.4
143.03528	0.8
149.33450	0.3
159.03055	0.8
161.04561	4.1
173.04500	0.3
179.05652	0.9
191.05688	0.5
204.42085	0.3
239.16611	0.5
255.19769	1.1
291.18097	0.4
297.20688	0.6
327.21783	0.8
329.19870	0.7
381.22705	0.6
399.23859	10.9
400.24127	0.7
410.01382	0.3
417.24960	9.6
418.25488	0.9
423.22433	2.6
459.19693	1.4
459.26404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2021
Annotation	[3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]-8-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-6-(2-methyl-1-oxopropoxy)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	0.9
61.98845	1.2
70.02034	0.7
70.02360	1.1
78.52756	0.5
93.03462	1.1
98.22488	1.0
100.47422	0.5
102.75909	0.5
109.02950	0.8
116.92798	0.7
117.71925	0.5
121.02950	13.8
122.03753	0.6
122.41412	0.5
146.03755	1.6
147.04518	2.4
161.06134	0.9
164.04764	0.6
165.05521	3.8
173.06053	1.5
179.07220	1.3
185.02206	0.8
189.07391	0.5
191.07201	1.3
291.19620	1.4
312.13525	1.4
324.13660	0.6
327.15860	0.7
342.14713	6.3
343.14951	1.0
355.82761	0.6
357.16830	3.2
360.15668	2.3
375.18005	3.8
384.15768	4.0
399.18076	8.7
417.19202	5.1
444.17999	3.5
459.20193	22.2
460.20535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37228	0.4
53.32373	0.5
53.92491	0.4
54.20995	0.4
59.01376	100.0
60.01704	0.6
61.98835	1.3
69.37340	1.9
71.01381	6.3
73.02953	1.6
76.58324	0.5
83.01377	1.0
85.02960	1.9
89.02446	4.7
99.00892	0.6
101.02448	4.6
102.57618	0.5
113.02444	3.2
119.03526	2.0
133.01399	0.5
143.03552	1.0
149.21606	0.5
161.04568	4.8
179.05672	1.4
185.62982	0.4
217.91330	0.5
318.36539	0.5
351.29919	0.5
389.23624	0.5
399.23843	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
50.62883	0.1
55.01876	0.4
57.03446	0.6
59.01376	100.0
59.34084	0.1
60.01711	0.9
60.01972	0.1
66.39611	0.1
69.20596	0.2
69.20998	0.5
71.01378	7.5
73.02940	2.3
82.71722	0.1
83.01392	1.1
85.02942	3.8
87.00867	0.3
87.04519	1.1
89.02435	2.1
89.02929	0.2
91.52813	0.1
95.01383	0.9
99.00889	0.9
101.02434	3.1
103.71957	0.2
112.01643	0.2
113.02444	7.1
119.03500	0.4
125.02458	0.3
137.71628	0.1
143.03572	0.3
149.04608	0.2
159.03059	0.3
161.04552	3.1
168.82811	0.1
179.05746	0.2
204.19585	0.1
255.19676	0.5
351.64328	0.2
353.34918	0.2
399.23837	8.0
400.24249	0.5
414.58582	0.1
417.24893	3.6
418.25381	0.2
459.26260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01870	0.7
57.03451	0.4
57.79435	0.1
59.01376	100.0
60.01701	0.7
69.03455	0.2
69.24600	0.8
71.01379	8.7
71.05016	0.2
72.01734	0.2
72.99319	0.2
73.02943	3.2
83.01393	1.4
85.02946	3.5
86.00149	0.2
87.00900	0.6
87.04510	0.9
89.02439	4.3
95.01402	1.0
97.02964	0.3
98.21885	0.3
99.00899	0.6
101.02438	7.5
101.06078	2.0
113.02445	4.2
115.32525	0.1
119.03503	1.6
125.02454	0.5
131.03508	0.3
143.03526	0.6
159.02988	0.3
161.04536	2.8
179.05568	0.8
179.40936	0.2
196.88634	0.1
247.07599	0.1
254.27504	0.2
255.19702	0.8
262.45224	0.2
279.08282	0.1
297.20682	1.0
318.37466	0.1
339.93680	0.2
351.21689	0.2
381.22757	0.2
399.23840	5.0
399.29089	0.2
400.24280	0.3
417.24899	7.6
418.25336	0.6
459.26251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99025	0.3
55.17643	0.3
59.01376	100.0
60.01722	0.8
61.98834	1.3
69.39387	1.4
71.01376	5.4
73.02954	0.7
82.95407	3.2
85.02944	1.1
86.28849	0.3
87.00899	0.6
88.53621	0.3
88.70438	0.3
89.02437	9.3
94.29554	0.3
101.02446	3.3
113.02438	3.1
119.03488	3.6
131.03499	0.4
141.73810	0.4
143.03540	0.8
149.04535	0.4
161.04619	0.9
179.05556	2.3
203.43294	0.4
204.46225	0.3
223.13396	1.5
295.85715	0.4
363.47092	0.4
399.24072	1.1
407.15527	0.3
417.24725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93822	0.5
59.01379	100.0
59.46856	0.7
60.01711	0.6
61.98825	1.2
66.00546	0.5
69.08514	4.0
71.01381	12.4
72.99287	0.6
73.02955	0.7
73.90190	0.5
74.36979	0.5
78.36407	0.5
85.02944	1.5
89.02444	16.4
95.91605	0.6
99.18241	0.5
101.02436	6.3
102.51780	0.5
113.02435	4.8
119.03506	8.2
143.03519	1.6
161.04582	1.9
179.05606	5.3
234.99425	0.5
389.88837	0.6
394.24225	0.6
399.24173	0.6
418.14651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22995	0.3
53.91431	0.3
55.01873	0.8
57.03460	0.7
58.00600	0.3
59.01379	100.0
60.01722	0.9
61.98831	1.2
69.15469	1.5
69.15872	0.5
71.01382	14.0
73.02943	5.9
83.01382	2.1
85.02953	4.7
87.00871	0.8
87.04532	1.1
89.02441	5.0
95.01411	1.0
97.02979	0.5
99.00906	1.3
101.02441	10.1
109.10631	0.3
111.00882	0.9
113.02454	6.2
113.03585	0.8
114.02019	0.3
119.03487	1.6
125.02502	0.7
131.03709	0.6
131.04570	2.0
132.03033	0.8
143.03539	1.0
159.03001	0.7
161.04544	3.6
169.12383	0.5
179.05659	0.5
194.64983	0.3
234.75478	0.3
238.65350	0.3
255.19659	0.5
309.90228	0.4
324.34741	0.3
327.21957	0.4
329.19754	0.4
346.03271	0.3
399.23865	13.0
400.24448	0.9
417.24933	12.2
418.25565	0.9
423.22568	0.9
459.19992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.35708	0.3
55.77601	0.3
67.94241	0.3
69.76493	0.3
69.76841	0.9
98.22598	0.4
101.26955	0.3
107.05032	27.3
108.05344	0.7
121.06532	0.3
138.37012	0.3
147.08119	0.4
147.63695	0.3
149.24170	0.3
163.11290	94.4
164.11618	3.0
176.05824	0.3
238.09883	0.4
280.14716	0.5
283.17035	27.3
284.17355	1.5
295.17032	14.1
295.20401	0.6
296.17444	0.9
328.55249	0.3
459.29047	100.0
460.29376	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07784	0.5
56.10481	0.5
59.01377	5.1
61.01817	0.6
61.49138	0.4
61.98829	100.0
70.97168	0.7
73.25041	0.4
74.68331	0.5
122.85627	0.5
162.05167	0.5
177.10196	0.4
230.59543	0.5
311.22537	0.5
333.83154	0.5
336.91437	0.4
380.08707	0.6
435.34705	0.5
461.05508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89819	2.5
59.01381	36.7
71.01373	38.0
71.72746	2.8
73.02943	9.8
80.52590	3.0
85.02946	12.1
89.02483	15.6
99.00880	3.7
99.15013	2.6
101.02432	25.1
101.69595	2.7
102.80902	2.7
105.26096	2.7
113.02470	20.0
118.54626	2.7
119.03508	7.7
159.02997	3.8
161.04536	36.3
179.05594	5.9
308.33951	3.4
408.34778	3.4
417.24899	100.0
418.25134	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42608	0.9
70.95883	1.2
79.95731	10.5
80.96510	2.9
85.27992	0.8
94.31461	0.9
107.81332	0.8
116.89611	0.9
153.35262	0.9
160.15778	0.9
193.94327	0.9
236.04755	2.1
263.03564	2.3
264.04230	9.9
276.04248	1.7
277.05157	1.1
279.06567	3.4
290.05823	5.4
291.02911	6.3
292.03772	55.6
293.04102	4.4
293.07962	2.4
294.08914	1.2
305.08270	4.9
306.05307	20.3
307.06085	52.9
308.06430	2.6
321.07660	26.0
322.08282	4.8
351.05048	6.6
354.07410	1.7
366.07397	73.3
367.07663	6.3
381.09735	48.5
382.10077	4.9
446.03403	1.6
461.05450	100.0
462.05807	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03449	0.5
59.01384	5.1
61.98822	0.4
63.02388	1.0
65.00323	0.7
69.65912	0.2
69.88194	0.5
69.88554	0.4
71.01388	2.7
72.66064	0.2
72.99300	0.6
73.02945	0.5
75.00867	2.1
83.01382	0.7
85.02950	2.9
87.00850	1.1
89.02448	0.9
95.01383	0.8
97.02902	0.3
98.21888	0.4
99.00896	1.3
101.02430	0.6
103.00413	0.4
105.03480	0.3
107.01373	1.7
109.02952	0.8
111.00871	0.2
113.02448	2.7
115.00335	0.3
117.01942	0.5
119.03516	0.3
121.02945	0.7
129.01942	0.3
133.02966	6.3
134.03291	0.2
147.04524	0.3
149.02428	1.4
151.00383	3.3
163.11223	0.3
171.04582	0.3
173.06061	0.4
175.02612	0.4
175.04002	2.0
177.01895	0.3
183.24748	0.2
185.06111	0.4
196.85976	0.2
198.03244	0.3
199.03999	1.9
201.01947	0.8
207.10222	0.7
211.03944	0.4
213.05499	0.5
215.03578	0.3
217.05064	0.9
225.11293	1.7
239.03477	0.4
241.05008	0.8
243.02930	0.5
253.09286	0.4
257.04562	0.4
267.02820	0.3
284.03256	0.5
285.04050	100.0
286.04407	5.9
327.05093	1.1
355.04456	0.3
357.06241	1.1
461.07281	11.6
461.19876	1.1
462.07645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0725
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
50.21207	0.5
50.21500	0.5
57.03441	1.3
59.01378	14.5
61.98833	7.0
63.02406	0.7
64.89438	0.7
65.00334	0.7
71.01371	3.8
71.44680	0.5
72.99300	1.7
73.02926	1.6
83.01373	0.8
85.02928	1.5
87.00877	1.0
89.02443	3.7
96.96007	1.4
99.00896	0.5
99.04515	0.6
99.92622	0.7
101.02453	2.9
107.01381	1.6
109.02923	1.0
109.06558	0.8
113.02450	1.9
117.03386	0.7
119.05096	0.7
121.39956	0.5
123.00869	1.0
133.02911	1.4
134.03735	0.7
135.04474	0.6
137.02434	0.7
145.02855	0.7
147.04501	0.8
151.00331	2.2
151.64615	0.5
153.01944	0.6
158.03699	2.0
159.04431	0.6
161.02440	2.7
161.04541	1.4
163.04106	0.6
163.11247	1.2
170.03773	0.9
171.04475	1.3
172.01604	1.1
178.99800	1.8
179.03510	0.8
179.05672	0.7
181.12389	0.7
183.04503	0.6
186.03218	5.9
187.03944	1.0
189.01886	0.7
193.05106	1.2
197.02232	0.6
198.03285	1.3
199.04008	2.1
201.01964	1.0
203.03508	0.8
207.10214	3.8
214.02696	8.9
215.03473	1.3
216.00584	2.0
217.01202	0.8
218.02206	0.7
220.14258	0.6
225.11331	9.4
227.03464	2.1
241.01424	52.2
242.02182	39.1
243.02872	5.9
245.00920	13.7
253.01559	0.7
253.09309	1.3
255.02919	0.7
270.01694	61.2
271.02457	38.5
272.02817	1.7
280.23444	0.5
282.01697	1.2
283.02380	1.1
298.01196	23.3
299.01956	49.7
300.02277	2.5
311.02087	0.8
313.03339	0.9
317.19693	0.9
329.99072	0.6
341.03000	1.1
343.08829	0.7
401.21722	1.4
415.23523	1.1
433.07697	5.3
442.99289	0.7
461.07227	100.0
461.19217	3.1
462.07550	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01384	5.1
61.98822	0.4
63.02388	1.0
65.00323	0.7
69.65912	0.2
69.88194	0.5
69.88554	0.4
71.01388	2.7
72.66064	0.2
72.99300	0.6
73.02945	0.5
75.00867	2.1
83.01382	0.7
85.02950	2.9
87.00850	1.1
89.02448	0.9
95.01383	0.8
97.02902	0.3
98.21888	0.4
99.00896	1.3
101.02430	0.6
103.00413	0.4
105.03480	0.3
107.01373	1.7
109.02952	0.8
111.00871	0.2
113.02448	2.7
115.00335	0.3
117.01942	0.5
119.03516	0.3
121.02945	0.7
129.01942	0.3
133.02966	6.3
134.03291	0.2
147.04524	0.3
149.02428	1.4
151.00383	3.3
163.11223	0.3
171.04582	0.3
173.06061	0.4
175.02612	0.4
175.04002	2.0
177.01895	0.3
183.24748	0.2
185.06111	0.4
196.85976	0.2
198.03244	0.3
199.03999	1.9
201.01947	0.8
207.10222	0.7
211.03944	0.4
213.05499	0.5
215.03578	0.3
217.05064	0.9
225.11293	1.7
239.03477	0.4
241.05008	0.8
243.02930	0.5
253.09286	0.4
257.04562	0.4
267.02820	0.3
284.03256	0.5
285.04050	100.0
286.04407	5.9
327.05093	1.1
355.04456	0.3
357.06241	1.1
461.07281	11.6
461.19876	1.1
462.07645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	4.6
61.98812	2.8
64.64819	1.1
78.91871	2.6
80.91676	50.4
92.66359	1.3
96.96004	2.8
99.73116	1.5
108.68803	1.4
133.51765	1.4
163.11316	1.8
207.10258	4.3
219.04585	1.8
225.11349	1.8
247.03963	4.1
248.08440	2.6
249.09119	2.3
258.03159	2.4
260.04816	3.3
261.05573	5.1
273.05499	3.7
275.03531	8.2
276.04105	6.8
277.04913	3.8
277.08044	1.5
289.05057	14.3
290.05832	14.7
291.06448	5.2
304.03732	18.3
304.07355	5.9
305.04459	8.4
305.07843	3.4
319.06082	31.2
320.06647	4.6
334.08347	2.3
335.09128	2.7
364.05853	6.7
366.07166	3.7
379.08197	100.0
380.08621	8.0
380.12674	1.4
461.20569	3.0
461.26871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
55.44836	0.3
57.03452	0.3
59.01379	14.7
61.98831	2.9
70.99473	0.4
71.01378	4.7
72.99312	0.4
73.02941	0.6
74.35032	0.3
75.00877	0.6
83.88448	0.3
85.02968	0.9
87.00911	0.4
89.02443	6.8
91.01912	0.7
95.01409	0.5
96.96001	0.3
97.02974	0.4
98.09691	0.3
99.00912	0.5
99.04482	0.4
101.02451	2.4
102.02799	0.3
109.02941	1.0
109.06573	0.6
111.00945	0.5
113.02475	1.9
119.03510	2.4
125.02475	0.4
133.02951	3.9
134.03722	0.7
135.00888	1.0
135.04515	0.4
143.03448	0.4
149.02441	0.7
149.04614	0.5
151.00351	0.4
161.02409	0.7
161.04561	1.0
162.03391	0.3
163.00381	1.1
163.11339	0.5
164.01137	0.4
165.01874	0.5
167.03487	2.5
175.03973	1.1
177.01981	1.1
178.99864	2.9
179.05620	3.4
190.02661	0.4
199.03996	0.7
201.01981	0.8
203.10718	0.9
205.05060	0.4
207.02995	0.5
207.10268	1.6
221.11913	0.7
225.11328	3.5
227.03531	0.5
241.05058	1.1
243.02940	0.5
253.05176	0.7
253.09294	0.8
255.02928	0.6
269.04532	1.1
270.05310	0.8
283.02515	0.4
283.05991	0.4
284.03281	2.3
285.04013	5.2
297.04022	8.8
298.04807	28.5
299.05273	2.2
309.03995	1.5
311.01990	3.8
311.05649	1.2
312.06265	0.4
313.03534	41.5
314.03827	2.2
325.03445	1.3
326.04276	1.4
327.04971	1.7
341.06650	13.0
342.06998	0.6
343.04172	0.5
371.07715	0.8
381.05453	0.4
401.17850	0.7
443.09705	0.4
461.10886	100.0
462.11246	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
57.03445	5.1
59.01379	84.7
61.98823	5.4
69.03436	3.6
69.30914	11.0
71.01382	56.1
73.02950	28.6
75.00877	7.1
81.03480	2.4
83.01374	7.9
85.02946	27.2
87.00882	3.4
89.02447	19.2
95.01392	4.8
96.30952	2.8
96.96004	8.4
97.02973	4.0
98.22395	8.1
99.00884	8.9
101.02442	45.0
111.00938	2.9
113.02457	24.9
130.22818	2.5
143.03468	3.6
149.04555	3.1
151.07591	2.5
159.03020	9.0
161.04570	27.5
175.64114	2.4
179.05547	3.6
180.09866	2.8
197.17789	2.9
203.10893	5.2
221.11868	12.3
223.06100	2.2
225.11369	3.2
233.07742	2.8
239.12866	2.8
246.36324	2.5
269.10297	55.7
387.16806	4.9
401.14481	100.0
402.14853	6.0
461.20239	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03432	2.9
59.01375	100.0
61.47367	1.8
61.98824	2.4
69.34984	7.6
71.01377	53.6
73.02928	9.9
73.70295	1.7
75.00872	6.7
83.01414	3.9
85.02940	12.6
87.00893	4.0
87.04498	2.2
89.02440	53.6
97.02951	1.8
98.21814	2.4
98.22392	6.8
99.00845	2.5
101.02431	28.2
113.02441	18.8
115.03979	2.0
119.03505	20.2
123.04514	7.5
125.02436	2.8
125.06868	2.2
131.03539	3.8
133.06653	2.1
137.86537	1.9
142.75847	2.0
143.03470	4.5
161.04550	15.5
161.09753	2.1
163.07495	2.2
167.03481	18.4
179.05615	17.2
179.10753	10.4
181.02658	1.8
203.10762	2.5
206.09538	2.3
221.11797	29.7
225.11409	2.5
239.12903	7.8
247.08083	2.4
263.11249	2.8
269.10379	4.7
337.78287	2.1
401.18076	4.4
415.16122	22.6
451.80737	2.1
461.13156	4.5
484.05118	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
57.03443	9.8
59.01379	77.4
69.30247	3.8
69.30656	5.5
70.00903	1.7
71.01378	45.5
73.02946	12.0
75.00874	1.9
78.47072	1.4
83.01374	4.3
85.02943	19.3
87.00873	3.5
87.04521	2.1
89.02439	29.2
95.01374	2.4
96.96006	4.9
99.00876	4.2
99.04521	1.9
101.02448	31.7
109.06583	13.4
110.80967	1.5
113.02441	23.6
113.06100	5.3
117.77626	2.0
119.03502	9.2
119.05048	2.0
119.05876	1.8
131.03491	2.3
135.08063	1.6
136.05313	5.4
137.02426	2.2
137.06052	1.9
143.03502	4.1
148.05290	1.9
151.07634	26.1
159.03001	6.4
161.04568	26.3
161.09688	2.5
163.07645	44.6
167.03500	3.3
168.07907	5.7
169.08740	3.2
179.05608	12.8
179.10745	17.9
180.11075	1.5
185.09843	1.6
191.07167	3.6
203.10834	7.6
221.11807	100.0
222.12177	3.7
286.74301	1.5
299.11359	3.4
330.78720	1.7
383.17020	14.1
401.18253	9.9
461.16922	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
57.03453	3.1
59.01377	100.0
69.28925	1.3
69.34945	6.7
71.01379	40.8
71.12248	1.3
73.02948	5.4
75.00870	17.8
83.01375	2.2
85.02943	9.8
87.00862	2.9
87.04515	3.0
89.02438	52.2
91.18736	1.5
95.01395	4.6
98.22379	5.4
99.00879	1.6
101.02441	26.3
109.02935	2.8
113.02461	15.2
119.03504	20.2
123.18868	1.2
129.49632	1.4
131.03537	3.1
137.06087	1.7
141.96858	1.2
143.03479	4.7
149.04593	2.0
151.07600	1.4
161.04538	14.5
161.09662	2.4
163.07550	2.7
170.07346	2.0
179.05624	14.2
179.10715	9.0
183.64568	1.3
185.09756	2.4
188.08394	3.2
203.10765	6.7
221.11812	26.0
239.12852	5.5
263.11307	3.0
335.49792	1.9
383.17117	2.5
401.13916	7.5
401.18790	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
58.85585	0.5
59.01378	100.0
60.01724	0.8
61.98838	1.3
71.01382	6.0
73.02966	1.1
76.22926	0.4
84.01733	0.5
85.02973	2.0
87.00866	0.5
87.04500	3.4
89.02444	8.2
95.05039	2.6
96.96006	0.7
98.21832	0.9
98.45554	0.5
99.00909	1.5
101.02457	4.9
101.35923	0.5
107.05020	0.5
113.02457	3.4
115.04008	0.9
119.03535	3.2
123.04543	0.6
124.05356	0.5
125.87324	0.7
128.03621	0.5
131.03514	0.8
137.06105	1.1
138.06813	0.4
143.03490	0.7
149.04570	0.7
158.65742	0.4
159.03009	0.6
161.04599	2.3
161.05978	1.0
161.09731	2.7
161.60538	0.5
167.10835	0.5
177.09261	1.6
179.04227	0.4
179.05540	2.7
179.10826	1.5
188.08473	1.3
195.10251	4.4
203.10753	3.1
206.09528	0.9
221.11800	15.0
222.12259	0.9
225.11378	0.9
239.12903	5.9
239.78618	0.4
240.13313	0.5
246.09521	0.4
251.14091	0.5
376.23666	0.5
382.91806	0.5
401.14420	1.4
401.18848	3.4
461.09244	0.8
461.15399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.0
59.01373	2.6
61.98832	2.3
63.16769	0.9
67.56686	0.8
78.95901	26.4
84.14569	1.0
98.21849	3.0
99.07645	0.9
109.06593	1.4
110.98531	16.2
113.09716	18.6
113.95628	1.1
121.10210	1.2
130.07985	0.9
139.11308	2.4
167.01135	18.5
167.10809	2.4
171.10262	2.8
179.10809	2.3
185.02187	4.5
195.13873	3.4
198.96855	1.1
234.39070	1.0
249.22227	1.5
275.20111	3.0
278.83859	1.0
293.21219	100.0
294.21536	7.9
433.03445	1.2
461.23129	45.0
462.23410	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2314
Annotation	Mulberrofuran X
Peak:m/z	Relative Intensity
59.01376	9.3
60.04880	2.1
61.98847	2.4
69.67097	1.8
78.95904	36.0
109.06628	2.0
110.64928	1.9
110.98532	28.5
111.51313	1.8
123.00862	3.2
131.29849	1.8
139.00371	5.0
147.04562	2.1
153.01932	10.6
167.01134	27.0
171.10315	3.9
175.99646	2.1
185.02217	7.2
195.13913	14.6
207.10272	2.6
223.13361	7.1
225.11325	2.2
256.13339	2.2
275.20016	10.0
289.10693	2.5
293.21219	100.0
294.21375	5.9
301.11230	1.9
306.11075	2.4
321.13419	7.4
333.13513	3.0
392.15863	3.1
419.09747	2.0
429.19119	5.1
443.21091	2.1
446.19376	4.5
461.22940	84.4
462.23260	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40847	6.1
57.70733	5.3
59.01363	6.9
60.75562	6.2
61.98831	57.5
62.78761	5.1
65.84054	5.5
75.88770	5.5
79.95737	6.6
84.92941	6.1
86.86173	5.9
111.99178	5.7
169.84134	6.1
180.00494	6.5
192.98973	6.2
228.91634	7.0
267.57437	6.5
292.03616	16.4
293.04117	55.3
294.04330	8.3
307.05893	30.7
308.06512	39.6
322.07980	26.3
351.78568	6.4
366.07382	16.6
367.07730	60.4
368.08246	7.1
381.09756	7.1
382.10129	45.3
438.39432	6.9
462.05725	100.0
463.05811	10.6
488.37256	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71186	0.5
55.70160	0.6
59.01378	1.3
61.98828	100.0
70.57424	0.6
78.07018	0.6
79.95738	2.0
88.88074	0.6
103.80062	0.5
220.34500	0.6
292.03589	3.8
293.04129	8.7
306.08582	0.9
307.05930	4.5
308.06433	6.7
321.07690	1.3
322.08032	3.6
323.08850	0.7
352.05365	0.9
366.07428	2.0
367.07751	10.9
368.08148	1.0
382.10104	7.2
447.03171	0.8
447.82520	0.7
462.05804	16.1
463.05899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79879	0.5
56.49405	0.6
59.01379	6.7
60.01717	0.7
60.71303	0.6
61.98830	100.0
70.38873	0.5
71.01397	1.6
71.44672	0.6
74.02475	2.8
84.95131	1.5
85.02954	0.7
99.00854	0.8
101.02434	0.6
106.98819	0.5
116.92878	0.6
165.79498	0.5
166.91225	0.5
168.98218	0.5
207.94373	0.6
221.83301	0.6
241.05045	0.7
246.60925	0.5
254.81818	0.6
354.17770	0.6
462.21368	1.0
462.27203	3.9
463.26147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35933	0.4
59.01373	2.0
61.98832	100.0
71.01393	0.9
78.95911	0.6
82.95428	1.5
84.95140	0.9
88.04064	0.9
97.02943	2.9
115.00374	0.8
116.51616	0.4
116.81489	0.4
163.55714	0.4
267.75339	0.3
432.87936	0.4
462.21252	2.1
463.20813	0.4
482.87155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29659	0.3
59.01383	3.4
60.01709	0.6
61.98831	100.0
63.75530	0.4
70.67884	0.4
71.01373	0.8
74.10953	0.4
80.12506	0.4
85.02921	0.5
99.65224	0.4
331.03485	0.5
410.04379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80803	0.6
55.36359	0.7
59.01376	1.9
61.98828	100.0
63.25785	0.6
66.96787	0.6
69.58476	2.4
69.58803	0.6
71.69144	0.6
78.95911	2.0
98.22645	1.2
115.91841	0.6
138.96599	0.6
143.45343	0.7
152.99590	1.7
169.36244	0.6
208.31665	0.6
384.32336	0.7
406.14987	0.6
438.93582	0.6
463.20798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01487	0.8
56.06378	0.7
56.54946	0.7
56.61083	0.8
61.98830	100.0
78.95895	1.8
84.39608	0.8
143.99127	1.4
163.57860	0.7
164.83621	0.8
166.83318	3.9
249.45995	0.8
255.16043	1.9
256.74750	0.9
257.17685	2.0
280.25308	0.7
282.90891	0.9
305.92126	0.7
333.07089	0.8
337.06000	0.9
421.68918	1.0
424.08582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94403	0.3
59.01378	1.8
61.17409	0.3
61.98829	0.4
63.02394	0.7
65.00307	1.4
69.17605	0.5
69.18017	1.3
71.01362	0.8
73.02952	0.3
73.57031	0.3
77.58124	0.2
81.41920	0.2
82.09284	0.3
83.01371	1.1
85.02920	0.5
88.44542	0.3
89.02421	0.6
92.50327	0.3
92.90816	0.3
93.03465	0.3
94.15321	0.2
98.21883	0.6
99.00906	0.4
101.02422	0.5
107.01385	2.7
108.02180	1.5
109.02925	1.6
112.06697	0.3
113.02419	0.3
119.01422	0.5
120.02219	0.3
121.02956	2.0
125.02419	0.3
135.00867	1.0
148.01651	1.5
151.00372	11.9
159.04486	0.5
163.00356	2.6
163.04004	0.4
164.01128	0.9
169.01457	0.5
178.99847	5.5
187.03987	0.6
190.99791	0.3
192.00797	0.3
198.03130	0.3
199.03947	1.0
201.01938	0.4
211.03952	1.3
211.50076	0.3
215.03528	0.6
216.04199	0.6
226.02684	2.1
227.03476	3.4
227.12932	0.5
228.04092	0.3
229.05011	0.8
239.03693	0.3
243.02966	12.2
244.03404	0.8
245.04529	1.0
254.02248	2.3
255.02963	27.3
256.03394	1.3
271.02466	61.2
272.02963	5.0
273.04031	1.1
283.02496	1.1
299.02023	1.6
300.02737	100.0
301.03470	42.0
302.03815	1.7
331.17502	0.5
343.04391	0.5
463.08810	82.2
464.09177	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39820	0.4
54.93667	0.4
59.01374	1.9
59.98578	0.5
63.02385	0.5
65.00323	1.5
66.49940	0.5
70.51275	0.9
71.01373	2.5
72.07097	0.5
73.02940	1.0
73.88150	0.5
78.77946	0.5
83.01370	1.0
89.02457	1.0
96.05116	0.5
102.59511	0.6
107.01406	2.4
108.02161	1.6
109.02967	1.2
113.02444	1.0
121.02960	2.7
135.00941	1.3
146.82193	0.6
148.01704	1.7
149.02371	0.5
151.00362	11.6
161.04576	1.3
163.00388	3.3
164.01109	1.0
168.57089	0.5
175.03886	0.7
178.99847	6.6
181.67685	0.6
183.04538	0.5
187.03894	1.1
190.99887	0.6
199.03979	0.9
201.05507	0.7
207.08974	0.6
211.04068	1.5
216.04324	0.6
226.02707	3.0
227.03519	3.4
228.04138	0.6
229.04941	0.7
243.00601	1.0
243.02979	12.1
244.03401	0.8
245.04535	1.7
254.02147	2.8
255.02972	26.9
256.03403	1.6
271.02463	64.7
272.02951	4.7
273.03836	0.6
283.02505	1.2
299.01910	1.6
300.02737	100.0
301.03491	54.6
301.07141	0.8
302.03882	2.4
331.17554	1.9
343.04507	0.7
344.06927	0.5
463.08807	90.8
464.09192	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.5
61.98809	0.8
66.12091	0.2
71.01378	0.6
76.83746	0.2
78.95896	0.7
79.95715	0.5
85.02982	0.4
96.96021	1.9
97.02966	0.4
101.02451	0.3
101.71070	0.2
111.04509	2.6
123.04868	0.2
124.01675	2.6
139.04034	1.4
148.05290	0.5
152.01140	14.8
152.99567	1.2
153.01518	0.4
155.53529	0.3
165.01913	0.5
166.06339	0.5
176.04791	0.9
191.07143	2.6
193.05037	0.4
194.05827	16.3
195.06209	0.6
209.08171	100.0
210.08522	3.6
253.00218	4.1
300.02676	0.5
403.15527	0.3
462.92041	0.8
463.09198	2.5
463.14636	0.4
463.32422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29662	1.0
57.03453	1.1
59.01378	100.0
61.98831	8.9
69.57356	4.4
78.95887	5.3
80.44913	1.0
80.91666	3.5
96.96016	2.9
101.02418	1.4
152.99600	8.9
171.00600	1.0
209.11887	1.6
279.02954	1.3
307.02396	1.2
335.01920	2.3
365.06354	2.4
405.05685	1.5
463.10263	8.5
463.24020	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41059	0.4
57.71963	0.5
59.01378	17.7
60.50194	0.4
60.58276	0.4
61.98829	4.3
65.67567	0.3
65.86617	0.5
69.09598	2.5
71.01377	7.1
71.31296	0.4
72.99303	1.2
73.02959	2.3
74.02481	0.7
75.00871	0.7
80.02675	1.5
81.03472	0.7
83.01376	1.5
83.05029	4.3
84.02144	0.9
85.02954	3.2
85.03440	0.5
87.00873	0.6
88.31927	0.4
89.02438	5.5
93.03430	0.5
95.01362	0.6
95.05054	0.5
96.96020	1.0
99.00874	0.9
100.49772	0.4
101.02444	7.2
113.02445	3.7
113.22821	0.4
115.05117	0.7
116.92845	1.4
119.03494	1.2
125.02462	0.6
125.06068	0.6
131.03517	0.5
135.02994	1.0
135.04510	0.8
139.63982	0.4
139.74667	0.4
143.03432	0.4
149.04530	0.8
159.02930	0.4
161.04573	3.4
163.11279	3.5
165.12817	2.7
179.03577	0.6
179.05556	0.6
181.12335	0.9
184.50359	0.4
191.01994	0.5
191.05609	0.9
191.10794	0.6
199.13426	2.4
209.11823	100.0
210.12195	4.2
227.12881	25.4
228.13179	1.2
253.09291	14.1
255.02968	1.2
271.02469	2.9
271.05603	0.6
272.02676	0.6
300.02695	4.7
301.03406	1.9
331.17572	1.8
371.17023	1.3
403.19922	0.8
433.20828	0.8
463.08630	3.4
463.21667	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79680	2.4
55.01870	5.0
57.03446	5.3
59.01379	85.9
61.98826	13.1
64.95695	1.7
69.45644	7.7
71.01382	68.1
71.05022	1.9
73.02949	24.9
75.88032	1.9
82.09528	1.8
83.01383	10.4
85.02954	27.2
87.00875	2.2
89.02441	24.1
92.08627	1.8
95.01390	5.3
98.22312	7.0
99.00887	6.4
101.02448	67.9
101.06081	12.2
108.77243	1.9
111.09319	1.8
113.02447	31.3
116.84610	1.6
119.03486	11.4
125.02441	2.0
135.04352	2.0
143.02486	1.8
143.03520	7.1
144.09370	1.8
159.03029	9.2
161.04565	53.5
175.07549	2.3
179.05606	5.5
183.33719	1.9
197.11821	3.0
205.12213	2.8
241.14525	18.4
283.10992	4.3
335.34750	1.7
403.19739	100.0
404.20001	4.1
437.63977	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03415	0.5
59.01373	8.2
61.98823	0.9
63.29167	0.2
70.53512	0.3
71.01373	4.0
72.99309	0.5
73.02940	1.1
75.00845	0.3
80.02673	1.0
81.03451	1.1
83.01377	0.7
83.05019	4.1
84.02179	1.3
85.02960	1.3
87.00872	0.5
89.02437	3.9
95.01369	0.4
95.05019	0.4
96.95997	1.0
97.06580	0.3
99.00874	0.3
101.02428	4.3
110.71819	0.2
113.02455	2.1
119.03494	1.0
125.06084	0.8
131.03407	0.3
135.04480	0.6
135.08156	0.8
143.03534	0.3
147.02977	0.3
149.04504	0.4
151.00386	0.5
161.02435	0.4
161.04524	1.8
162.02815	0.5
163.11299	3.5
165.12859	2.4
173.04512	0.5
179.03525	0.5
179.05560	0.7
181.12283	0.7
191.05609	0.7
191.10786	0.9
199.13434	0.6
209.11815	100.0
210.12144	3.7
227.03413	0.3
227.12877	17.2
228.13182	0.8
235.08125	0.7
243.02837	0.8
253.09268	13.1
255.02905	0.9
263.72012	0.3
271.02496	2.4
272.02621	0.3
283.12183	0.3
300.02707	3.6
301.03476	2.3
310.75711	0.3
331.17432	0.7
383.17462	0.6
403.19952	0.4
463.08936	3.5
463.15030	1.3
463.21866	1.8
464.08771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84266	0.8
55.01868	0.8
57.03438	1.0
59.01377	100.0
61.98822	1.0
69.34476	0.9
69.79091	2.6
69.79453	0.7
71.01379	29.0
73.02941	2.1
85.02969	5.3
87.00854	2.1
88.17628	0.7
89.02439	49.2
95.01401	2.8
101.02427	15.6
110.99134	0.8
113.02451	15.0
119.03497	22.4
126.80772	0.8
131.03470	2.6
143.03537	6.6
149.04512	1.4
161.04552	11.3
168.23242	1.0
179.05611	33.1
205.12294	3.9
223.13387	6.2
223.35289	0.9
360.38245	0.9
403.19705	14.7
404.20154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01369	2.7
61.98819	0.6
65.25169	0.4
78.95903	24.2
86.67783	0.5
88.59388	0.5
97.06610	0.6
104.97456	1.2
110.98534	17.4
113.09713	2.3
125.08497	0.5
127.37233	0.5
137.00102	0.7
149.00082	0.8
167.01152	18.4
171.10248	2.7
179.14377	1.0
181.12343	0.9
185.02245	5.3
194.98915	2.2
195.13896	17.5
196.14174	0.6
217.00279	1.4
226.40388	0.6
277.21719	20.8
278.22232	0.9
293.21475	0.7
295.22766	100.0
296.23099	6.1
463.10925	1.9
463.24655	65.8
464.25079	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01498	2.4
55.43974	2.3
57.03447	2.7
69.62057	12.1
121.55185	2.5
125.09717	3.0
127.11259	6.3
142.86133	2.5
152.41988	3.3
153.12827	5.5
160.94450	2.4
165.12852	4.1
167.10814	3.0
171.10263	97.6
181.12291	3.8
197.11809	3.8
247.20676	8.2
273.18671	3.5
291.16476	3.6
291.19678	64.7
292.19940	5.2
309.20703	100.0
310.21106	7.6
445.29672	8.5
447.13217	3.2
463.30261	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98828	100.0
70.39526	0.3
71.01384	0.8
85.02976	0.4
89.02435	0.5
96.15115	0.2
96.96026	0.6
101.02456	0.7
113.02455	0.3
119.03513	0.2
124.21650	0.2
153.46899	0.2
161.04694	0.3
220.91644	0.2
283.10983	0.3
284.11423	0.2
361.96381	0.2
403.19852	0.5
404.20255	0.6
409.21927	0.2
429.64734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.1
61.98829	100.0
63.99237	0.5
71.01387	1.7
73.02975	0.7
85.02966	0.6
94.57409	0.4
98.21690	0.7
101.02433	1.0
106.61382	0.5
113.02493	0.5
148.68700	0.5
151.93524	0.4
172.16255	0.5
218.78383	0.5
315.18161	1.4
464.05521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01373	3.4
60.01703	0.2
61.70440	0.2
61.98830	100.0
70.74419	0.4
71.01382	1.6
73.02950	0.3
78.91891	3.5
85.02949	0.5
89.02454	1.5
96.96019	0.9
99.00906	0.5
101.02420	1.1
103.58921	0.2
112.36832	0.3
113.02477	0.6
119.03491	0.5
129.84410	0.2
132.78299	0.2
134.23997	0.2
137.51593	0.2
161.04593	0.4
167.03476	0.4
173.04514	0.3
179.05621	0.3
181.80467	0.2
191.05835	0.4
208.13390	0.2
209.11945	0.6
210.12184	0.4
321.15567	2.3
404.20093	0.3
405.21353	0.4
420.16293	0.7
464.22409	0.3
465.19644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.30791	0.2
61.98829	100.0
62.63773	0.3
62.98516	0.3
65.38403	0.2
71.01392	0.5
77.68243	0.2
85.02948	0.4
89.02477	0.5
96.95966	0.2
101.02466	0.6
102.91705	0.3
113.02470	0.4
116.92849	0.4
119.03513	0.3
122.09109	0.2
127.05146	0.3
127.87118	0.3
139.04091	0.2
145.06215	0.7
146.82500	0.2
161.04633	0.3
164.83653	0.4
181.57040	0.2
182.51282	0.2
239.03163	0.2
411.17383	0.2
464.17065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03390	0.4
59.01378	2.9
60.01694	0.4
61.98827	100.0
70.19047	0.8
78.95908	1.1
88.52437	0.4
98.21951	0.4
112.98607	0.7
143.04607	0.4
152.99551	0.5
173.60570	0.4
243.06647	0.5
293.04056	0.7
294.08664	0.4
308.06509	0.8
308.09970	0.5
352.05399	0.7
367.07895	1.6
369.08344	0.7
382.10052	2.4
384.10709	0.7
464.05670	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
65.00321	0.4
69.93398	0.5
69.93732	0.3
71.01388	0.4
79.95721	0.3
80.96503	0.3
85.02934	0.4
87.00834	0.3
93.03497	0.3
95.01385	0.4
96.95452	0.4
96.96015	3.8
97.02942	0.9
101.02452	0.3
101.06125	0.3
106.55052	0.2
108.25843	0.2
113.02440	0.3
121.02950	5.5
123.04584	0.2
124.01656	3.3
125.06077	2.7
133.06593	1.4
135.04546	0.4
137.02414	0.6
138.97057	0.4
139.04036	1.2
151.03969	0.7
152.01149	20.4
153.01529	0.6
159.04454	0.4
161.06105	1.6
162.06798	0.3
163.04019	0.6
165.01938	0.9
166.96472	0.3
179.03423	0.4
180.04314	0.5
181.05072	0.7
189.05586	3.4
190.06207	0.9
191.07034	0.4
193.05060	0.4
205.08713	2.0
208.07407	11.6
209.07729	0.3
223.09746	100.0
224.10114	4.7
241.00215	14.7
242.00697	0.3
248.04790	0.3
465.10681	4.5
466.11182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01373	5.9
60.51145	0.4
60.91783	0.4
60.99292	0.6
61.98821	1.5
67.01888	2.1
69.03441	0.8
69.35511	2.2
71.01379	4.3
72.12923	0.4
72.99314	0.6
73.02940	1.6
78.95875	0.4
83.01386	0.8
83.05026	0.8
85.02949	10.8
87.00877	3.9
89.02446	3.1
93.03462	15.6
95.01372	0.6
95.72173	0.4
96.95990	1.1
99.00883	3.3
99.04529	0.9
101.02428	1.8
106.06622	0.5
109.02943	1.3
109.20910	0.4
111.00876	2.0
111.04530	2.7
113.02437	1.7
120.08180	0.6
127.03995	1.9
133.02930	1.3
134.03748	3.0
134.06120	1.1
135.04530	2.9
137.02446	0.7
149.04567	2.6
155.03481	0.9
160.01711	2.7
161.02431	0.9
161.04619	1.1
164.07149	0.8
166.02719	4.8
171.03015	0.7
173.00957	0.9
173.04559	5.3
177.01933	1.0
178.02734	2.9
178.05042	1.1
179.03455	1.9
181.05064	12.4
191.05612	100.0
192.05928	2.9
229.08618	1.2
247.09700	0.7
267.16000	0.9
273.07767	2.4
283.01178	2.3
290.16843	0.6
291.08936	0.5
308.09314	0.5
353.08823	0.7
421.20844	0.8
422.21167	2.0
459.99231	0.5
465.08054	1.9
465.13971	50.9
465.27222	1.8
466.14139	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.98824	2.4
65.15467	1.0
69.33696	4.3
71.01379	2.6
73.02943	1.0
84.36736	0.9
85.02922	2.6
89.02444	1.3
94.06637	1.0
95.03758	1.9
96.08176	2.1
96.96004	1.1
97.01637	1.0
106.06620	16.2
109.05322	3.2
124.07672	22.9
131.33533	1.0
131.80650	1.0
134.03735	3.1
134.06117	100.0
135.04480	4.3
135.06445	2.5
135.11839	1.2
148.07597	1.5
149.04553	1.1
166.02708	2.5
173.04489	1.1
174.05499	1.3
178.02660	3.9
178.05089	78.5
179.03471	5.9
179.05402	2.2
179.10768	2.2
181.05093	7.0
181.06433	1.1
191.05609	2.8
192.06653	18.4
220.06125	23.2
221.06363	1.3
225.55168	1.0
250.07225	2.1
267.15985	23.8
280.08313	6.4
340.10324	25.5
447.18341	1.1
465.07419	1.4
465.13449	2.0
465.19736	1.9
465.26883	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Halisulfate 8
Peak:m/z	Relative Intensity
53.34192	0.4
55.01879	3.8
57.03436	2.2
59.01379	100.0
60.01710	0.7
60.96262	0.4
60.99292	1.2
61.98834	3.7
64.81315	0.4
69.03456	0.9
71.01381	35.4
71.44376	0.5
72.99299	0.5
73.02944	25.3
75.00883	0.6
78.95901	1.0
83.01389	7.2
85.02950	20.0
86.00098	0.9
87.00879	1.6
88.98798	5.5
89.02447	6.7
95.01376	3.1
96.95991	2.5
97.02967	1.9
99.00880	10.5
101.02444	37.0
111.00884	1.8
112.01694	1.1
113.02448	15.9
119.03507	0.5
125.02430	2.5
127.11329	0.8
129.01971	0.9
131.03487	2.1
143.03467	2.3
159.03009	3.0
161.02469	0.5
161.04543	10.9
162.05013	0.4
173.09341	0.5
191.05623	1.0
204.68631	0.5
225.15018	1.4
273.16986	2.1
291.18127	27.9
292.18506	1.6
320.55188	0.5
333.19257	2.6
379.05966	0.7
405.21280	2.5
407.37436	0.5
423.22348	46.4
424.22528	2.8
465.23386	64.1
466.23785	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05621	0.9
56.91690	0.9
57.03436	1.0
59.01379	100.0
61.98832	40.6
63.96158	0.8
69.12543	1.1
71.01383	9.0
85.02940	2.0
88.31521	1.1
89.02438	11.3
96.96015	2.1
101.02438	6.5
113.02451	2.8
116.92908	1.1
119.03530	6.2
131.20456	0.9
161.04559	3.7
179.05653	5.0
206.10826	1.1
403.15842	1.4
405.21332	4.6
465.23782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.7
59.01378	100.0
60.95472	1.2
61.98830	40.0
62.41690	1.2
69.38869	3.2
71.01382	26.1
72.99301	1.4
73.02939	2.6
78.95867	1.2
79.95725	1.2
83.01376	1.6
83.04067	1.1
85.02943	7.0
87.00874	2.3
89.02442	38.1
95.01382	1.4
96.96011	10.3
98.22070	3.9
99.00867	1.5
101.02436	20.5
102.05592	2.5
111.00835	1.5
113.02451	14.2
115.92139	1.1
116.92853	3.2
117.92855	1.1
119.03493	17.6
122.06057	1.6
128.03537	3.0
130.81488	1.2
131.03494	3.2
135.04536	1.4
137.09718	1.5
143.03458	3.1
146.04590	1.9
149.04488	1.8
149.09717	12.6
158.93826	1.1
161.04576	5.7
167.09369	0.8
167.10760	24.2
179.03450	1.2
179.03937	1.5
179.05611	16.5
191.05528	2.1
201.00746	1.5
207.13786	1.4
225.14906	6.1
243.08705	1.3
257.01282	1.3
258.29388	1.0
285.12448	4.6
303.97610	1.1
405.21317	44.7
406.21335	3.1
465.14825	4.8
465.23779	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
59.01384	100.0
61.98835	24.6
70.40451	2.1
70.40798	1.2
71.01384	38.8
71.89881	1.2
73.02953	9.8
75.75433	1.3
83.01400	3.8
85.02955	15.4
87.00881	1.6
88.58536	1.2
89.02448	21.0
95.01402	2.3
96.96007	6.5
98.03736	4.3
99.00890	3.8
99.04537	1.2
99.97066	1.2
100.28055	1.2
101.02451	29.2
101.03099	2.2
101.11988	1.1
103.47615	1.2
109.02934	1.5
113.02450	15.6
119.03499	9.7
135.04512	1.6
143.03494	1.8
149.04549	1.5
159.03003	2.9
161.04565	24.9
163.11269	2.8
169.12379	3.2
179.05652	5.1
181.12427	1.5
184.67744	1.2
186.98302	1.1
191.05664	4.8
207.13867	2.0
225.14980	7.6
237.42493	1.2
291.08878	2.6
312.29080	1.3
387.20255	1.8
405.21295	89.1
406.21616	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
56.01126	0.2
57.03444	0.9
59.01378	5.8
59.01661	0.5
60.01711	0.4
61.98829	100.0
62.98563	0.2
71.01390	2.3
71.41975	0.2
72.01714	0.3
73.02961	1.0
75.00888	0.3
78.91499	0.3
78.91885	1.4
79.95744	0.2
83.01384	0.3
85.02950	7.8
85.03465	0.4
87.00843	0.3
89.02439	1.2
96.96034	1.8
99.00903	0.2
101.02448	1.5
102.02776	0.3
109.90494	0.2
113.02424	1.2
116.92903	0.3
119.03510	0.5
129.01958	0.8
143.03555	0.4
147.03015	0.8
149.02451	0.3
159.04501	0.2
161.04550	1.1
187.07686	0.7
191.01971	3.1
191.05667	0.9
202.06342	0.3
208.03787	0.2
208.43700	0.2
209.03030	2.1
209.11949	0.5
214.99667	0.3
223.06183	1.0
226.15372	0.3
230.01982	0.5
231.10236	0.5
245.04262	1.5
275.09256	2.4
306.07608	0.5
387.16766	0.3
405.21292	0.7
406.21640	2.7
437.12131	0.3
449.14938	0.4
450.51550	0.3
466.14725	0.4
466.22763	0.4
467.16232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
57.22409	0.3
59.01376	7.6
60.01710	0.6
61.98828	100.0
69.09403	2.0
71.01378	2.8
71.93913	0.3
72.01723	0.4
73.02952	0.7
73.14056	0.3
75.00851	0.5
78.91885	2.1
83.01366	0.4
85.02952	8.5
85.03466	0.4
87.00868	0.3
89.02426	1.5
96.96019	1.7
99.00877	0.5
101.02444	1.9
102.02818	0.3
113.02457	1.4
116.92909	0.4
119.03523	0.4
120.59824	0.2
127.58556	0.3
129.01944	0.9
147.03038	1.1
149.02487	0.3
158.03743	0.3
159.04572	0.3
161.04568	1.2
162.04947	0.4
163.04985	0.3
164.04794	0.4
173.04564	0.4
187.07622	0.6
191.01968	2.9
191.05653	1.0
208.03928	0.3
209.03015	2.1
209.11856	0.4
214.99757	0.6
223.06187	0.7
225.11157	0.4
230.02032	0.8
231.10313	0.7
240.78719	0.3
245.04289	1.5
275.09210	2.1
373.66956	0.3
405.21381	1.0
406.21555	3.6
449.14645	0.6
466.23746	0.3
467.16022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70906	0.3
56.67336	0.3
59.01383	1.7
61.98830	100.0
66.82703	0.3
69.05003	1.1
69.05405	0.8
71.01379	0.6
82.33018	0.4
83.41297	0.3
85.02953	1.2
85.43154	0.3
89.02430	0.7
98.14947	0.3
98.22701	0.5
105.24443	0.3
112.97348	0.3
113.02473	0.3
119.03533	0.4
134.10919	0.3
152.55597	0.3
179.05640	0.3
191.02020	0.5
198.73512	0.3
206.55573	0.3
244.44565	0.3
250.32001	0.3
254.74821	0.3
295.97537	0.3
375.27423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	48.7
59.01378	33.8
69.78902	2.6
69.79257	2.3
71.01375	9.1
73.02934	3.3
75.53535	1.2
85.02946	11.0
89.02431	4.2
93.03462	1.7
98.21847	1.5
99.04520	24.2
101.02435	12.7
111.00885	3.3
125.02440	6.9
129.01935	2.6
134.03723	3.5
143.74297	1.1
145.07700	5.3
160.06412	18.3
161.04555	11.4
161.07204	47.5
173.00766	1.4
173.04575	3.6
175.08768	34.3
175.10287	2.4
181.81245	1.3
185.10861	2.4
187.08768	4.3
189.06691	78.9
190.07004	1.6
191.01941	4.0
191.05553	3.1
201.10373	7.0
203.08264	38.1
203.11894	8.8
204.08521	1.3
212.53642	1.2
229.09819	20.4
277.11929	3.5
293.10269	2.4
305.11414	64.1
306.11511	2.6
323.12454	100.0
324.12680	3.9
350.16437	1.2
365.13477	14.2
405.16898	2.6
432.83441	1.5
467.16483	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97919	1.0
57.03450	27.0
58.00594	1.3
59.01381	36.2
61.98827	12.0
65.77079	1.1
67.01884	2.0
69.11927	7.1
71.01385	8.8
72.99296	1.4
73.02943	1.8
80.91703	1.8
81.03454	1.3
83.01362	1.7
85.02950	27.9
87.00860	1.4
89.02468	5.5
91.63842	1.0
93.03458	9.5
96.96054	1.3
99.04516	17.3
101.02441	9.4
111.00887	6.1
111.04531	2.0
119.03556	1.9
125.02453	8.9
126.72295	1.1
129.01930	3.6
137.02522	1.4
145.07706	4.6
147.03021	3.6
147.57695	1.1
155.03545	1.9
160.06416	11.7
161.04573	7.3
161.07193	41.0
162.07608	1.5
171.10359	1.2
173.00874	2.4
173.04527	22.4
173.10774	2.3
175.08766	20.3
185.10854	2.7
186.07979	1.2
187.07504	2.8
187.08965	2.7
189.06682	65.0
190.07024	3.4
191.02005	10.5
191.03484	1.3
191.03816	1.6
191.05609	24.8
199.08850	1.2
201.10329	6.4
202.06393	1.3
203.08250	26.9
203.11971	6.9
209.03004	6.6
229.09819	15.8
231.10252	2.9
257.08163	3.0
275.09277	5.4
277.11880	2.6
305.11420	39.8
306.11716	1.6
309.45056	1.2
323.12466	100.0
324.12805	4.5
356.62253	1.0
365.13458	6.2
387.01672	1.4
431.84946	1.3
449.14517	7.4
467.15656	2.2
467.21347	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	52.2
61.98832	32.9
65.47166	21.4
69.58186	80.7
78.68680	20.3
83.38755	17.9
85.02969	22.8
98.22573	31.4
103.01520	26.9
116.92836	26.3
129.79712	21.9
146.59906	18.6
193.10301	19.0
347.15256	100.0
353.61234	20.4
407.17526	34.0
467.22821	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01378	100.0
67.01891	2.5
70.40450	1.2
71.01373	12.8
73.02945	2.9
77.59734	0.7
83.01401	1.9
85.02943	14.3
87.00880	3.3
87.36340	0.8
88.22317	0.8
89.02450	2.6
93.03458	14.7
99.00912	1.2
101.02431	7.8
111.00893	7.1
111.04516	2.8
113.02470	6.8
118.21391	0.7
119.03471	0.9
125.02454	0.9
129.01965	0.9
133.02940	1.6
134.03735	3.5
135.04466	2.0
145.10228	2.1
154.99899	1.5
159.03000	1.9
160.01692	0.8
161.04562	9.5
161.27034	0.8
173.00908	2.9
173.04562	15.5
177.01875	1.8
178.02737	2.6
191.01961	1.8
191.05608	6.4
201.12851	1.3
235.04599	0.9
245.11821	3.4
275.09210	1.4
293.10510	0.9
297.78632	0.8
367.79993	0.8
407.17096	0.9
421.20663	2.7
449.14716	3.8
464.08093	0.8
467.15677	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.0
61.98817	3.0
67.01914	1.2
69.03448	8.8
70.99657	1.9
70.99980	1.3
85.02922	1.6
88.33180	1.1
96.95982	2.8
97.02953	40.1
99.17931	1.3
111.00832	1.4
111.86814	1.1
119.08675	1.3
130.08356	1.6
137.09734	6.0
158.84677	1.3
160.84172	1.8
162.83896	24.3
174.99268	6.4
189.97942	5.5
203.26413	1.1
211.13330	2.6
211.99953	1.3
225.04460	2.5
225.97981	2.1
227.05949	7.0
227.99556	7.1
228.01399	1.2
238.22110	1.2
239.02415	2.6
254.01033	3.6
258.00598	2.5
263.05774	1.8
265.07574	2.7
267.01773	2.0
267.05609	2.2
267.09137	4.5
269.07059	40.6
270.07578	1.9
274.07367	1.5
281.07040	1.4
283.08633	3.7
295.05002	2.1
309.10168	12.2
310.10303	1.6
337.09952	1.6
338.10504	4.4
347.15265	3.8
349.13312	2.8
363.14951	2.8
371.97324	1.3
389.16357	3.8
407.17505	100.0
408.17850	5.5
467.27045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59040	1.8
53.76789	1.6
59.01375	24.2
62.68871	1.9
71.41766	1.8
71.42302	2.1
85.02971	4.1
96.26933	1.9
96.96004	4.8
98.06361	1.9
128.71194	2.0
173.27023	2.1
174.99339	3.2
175.06667	2.0
185.08194	2.1
225.04555	3.2
245.04974	2.8
247.06599	2.7
249.04239	2.1
251.05939	6.9
253.07571	11.1
263.05957	7.2
265.07596	21.8
267.09097	27.5
279.05518	2.3
295.08640	41.8
309.10184	100.0
310.10532	4.7
316.27386	2.1
382.36548	2.5
407.17532	79.1
408.17740	7.2
410.09802	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75426	1.5
57.03434	3.1
58.98477	1.7
59.01368	4.4
61.98831	2.4
69.42780	4.0
69.43160	3.7
71.01375	5.1
71.78426	1.9
72.99291	8.2
75.00868	2.8
78.95922	1.7
85.02950	3.1
87.00922	1.7
98.22643	3.2
99.00857	5.7
112.98818	11.8
113.99542	4.8
115.00357	7.4
118.89928	1.8
125.87283	1.8
135.02994	7.8
142.99866	16.6
156.00652	13.7
160.84200	10.5
173.00931	13.0
174.01688	100.0
175.02377	7.5
235.13695	2.5
237.11343	4.9
279.12497	2.0
293.21213	13.3
305.21210	4.7
319.22791	3.7
333.20795	2.6
345.20593	4.2
349.20212	6.9
365.34158	2.1
405.23279	2.0
407.20624	4.6
432.05701	3.6
449.21777	5.4
467.22806	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98840	4.1
67.01868	1.7
71.01373	2.8
72.99309	9.0
75.00884	3.3
80.76254	2.4
84.33681	2.1
85.02946	3.8
88.34545	1.9
99.00871	7.5
111.00874	2.5
112.98795	9.8
113.99603	2.4
115.00373	4.4
135.02985	6.8
142.99867	13.3
144.86304	1.8
148.09187	1.8
156.00609	12.5
161.16464	2.1
162.83902	3.2
173.00888	11.5
174.01695	100.0
175.02391	6.3
195.13812	2.5
212.78111	2.0
235.13298	2.2
237.11351	2.3
251.37384	2.1
293.21213	11.8
305.21262	4.1
319.22964	2.9
324.67786	2.0
345.20627	6.3
349.20175	10.7
407.20581	4.1
449.22162	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.2
59.42325	0.5
59.68421	0.5
61.98826	3.3
69.34800	0.7
69.35152	2.3
71.01392	0.7
73.02933	0.7
75.00892	0.5
76.04466	0.4
79.95001	0.5
81.71420	0.5
82.15588	0.5
85.02951	1.6
88.98817	0.8
93.03422	1.2
95.01392	0.9
96.96015	1.5
107.05063	0.9
109.02907	0.8
116.92838	1.0
121.02947	5.0
123.04548	0.6
129.01907	0.5
135.04520	11.5
136.05299	6.0
147.04539	1.9
149.06076	21.6
161.06126	0.9
163.07654	1.5
168.40312	0.5
173.04680	0.6
174.01706	5.7
175.03969	0.9
175.07658	1.6
189.09189	0.8
204.11536	4.4
205.12161	0.8
246.12651	1.0
264.13571	0.8
271.20709	1.3
289.21634	1.6
313.23978	0.7
315.19650	15.4
316.20096	1.0
317.21201	1.5
327.19614	1.0
331.18936	1.2
333.20706	100.0
334.20975	6.1
345.20667	7.7
359.18555	1.6
369.20779	0.7
375.21948	0.6
422.49609	0.5
467.22983	9.6
468.23254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80869	1.1
59.01381	5.4
61.98837	8.2
69.88784	2.1
71.01373	2.0
85.02956	6.5
87.00864	1.2
88.98842	2.9
93.03452	2.5
95.01389	2.4
99.00841	1.3
101.02439	1.1
103.31533	1.2
111.00890	1.9
112.09629	1.0
121.02938	3.8
134.03644	1.4
134.34860	1.5
135.04550	10.3
147.04532	5.0
149.02443	3.2
149.06061	2.1
161.06068	5.2
163.07533	1.5
173.04570	2.4
173.06021	1.1
175.07623	9.0
176.08368	1.8
189.09213	3.0
190.09981	4.3
201.09250	1.3
203.10655	1.3
231.13898	3.7
245.76588	1.2
266.64459	1.3
289.21613	2.3
315.19635	24.8
316.19940	2.2
327.19550	2.4
331.19171	3.8
333.20691	100.0
334.20990	8.1
339.19342	2.0
345.20712	36.4
345.25006	1.7
346.20901	2.6
347.22321	1.4
363.21786	1.7
369.20807	5.9
375.21640	1.5
387.21811	10.8
405.22580	3.9
423.23886	38.5
424.24146	4.4
467.22882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81894	1.3
59.01371	4.7
61.98819	5.4
79.95744	2.7
85.02945	2.4
93.03430	2.2
96.96009	94.8
99.08156	10.0
116.92850	2.2
127.07668	3.4
129.09206	16.3
139.82603	1.2
174.01630	1.6
183.13911	32.4
183.15532	2.2
195.13832	2.9
277.21649	2.1
291.10312	1.4
295.22742	10.6
313.23825	51.6
314.24185	2.5
333.20651	6.1
387.22516	2.5
387.27356	19.3
405.22931	2.5
467.23166	100.0
468.23587	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.2
61.98819	1.6
69.56024	2.9
71.01359	1.5
77.79390	1.0
78.95903	35.0
96.96958	2.5
129.84929	0.9
150.98067	1.0
152.99590	46.1
170.88412	1.4
171.00650	2.9
227.03242	7.9
239.20163	100.0
240.20549	5.1
245.04271	4.3
250.47972	0.9
373.47681	1.1
375.19897	0.9
436.16629	1.0
447.93820	1.1
467.24127	69.9
468.24387	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.4
60.52569	1.0
61.98829	9.4
71.41930	1.2
78.95901	27.0
95.14619	1.1
96.96953	3.0
147.52420	1.1
152.99590	37.0
171.00609	2.0
195.08084	1.1
227.03210	5.9
227.44696	1.1
239.20149	100.0
240.20476	4.3
245.04195	1.6
368.96555	1.0
414.77811	1.3
457.76761	1.1
457.85889	1.2
467.24127	70.1
468.24362	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	52.2
59.75910	15.7
61.98827	57.6
69.15154	100.0
76.35999	17.7
85.84287	16.0
99.00904	20.4
100.91385	15.4
103.91992	18.7
116.92883	43.2
126.13564	16.7
135.04330	18.7
194.20888	21.6
321.32092	18.1
358.03821	19.0
366.07251	22.7
467.22400	20.5
468.23105	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58876	0.5
51.42534	0.3
52.93896	0.3
57.34930	0.3
59.01386	0.5
61.98827	100.0
67.01981	0.3
78.95910	0.4
98.21725	0.6
119.50281	0.3
147.56140	0.3
152.99593	1.0
169.98061	0.4
170.83099	0.3
239.20325	0.5
240.20471	2.3
248.06665	0.5
294.36484	0.4
405.26526	4.5
428.60428	0.4
468.24698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29417	2.6
53.13497	2.8
59.01369	2.8
61.98835	36.8
65.02486	2.8
79.68230	2.9
89.51582	2.9
124.18514	3.0
125.87328	17.4
126.88122	9.2
157.86333	3.7
160.84213	100.0
162.83893	13.0
167.14482	4.0
183.88010	3.7
185.82185	2.8
211.13489	6.3
220.07785	3.5
229.14430	5.3
241.18097	7.2
260.99918	4.1
272.77982	3.1
283.19125	11.8
296.97437	7.2
396.07895	15.4
432.05722	35.6
433.05923	3.5
468.01471	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01376	2.5
61.98823	0.4
69.03450	1.5
69.18027	0.5
69.18417	0.7
71.01372	0.9
75.00883	0.4
81.93787	0.2
83.05024	0.3
84.93859	0.8
85.02946	4.3
86.03288	0.5
87.00889	0.5
87.03394	0.2
93.03458	0.4
94.98063	0.2
96.96016	1.2
97.02943	0.3
98.21832	0.4
98.95612	0.3
99.00875	1.2
99.92579	9.7
100.93358	11.5
101.02428	0.5
101.93403	0.4
103.00341	0.3
104.41309	0.2
111.00887	0.3
114.93472	0.2
114.94917	0.3
115.92073	14.9
116.92856	100.0
117.92863	3.3
117.93628	0.4
128.92937	0.3
129.01944	0.6
140.92812	0.6
142.94421	1.2
147.03059	0.4
147.06551	0.3
154.94519	0.2
156.92343	0.6
158.93939	0.6
173.04588	0.6
173.92633	0.5
174.04890	0.3
184.91824	1.9
184.95430	0.5
185.00883	0.9
186.93472	0.3
191.02020	1.1
193.02332	0.4
196.95500	0.5
233.78278	0.2
263.14828	0.2
294.10754	0.3
347.02267	0.8
365.03329	2.8
366.03445	0.5
383.04367	3.5
395.04355	0.4
407.04153	1.5
414.81009	0.2
425.05441	4.3
426.05325	0.4
433.02222	1.4
434.25403	0.2
435.98340	0.3
468.15787	0.3
468.30905	0.5
469.04443	10.7
469.11319	0.5
470.04413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19123	2.0
59.01384	16.4
61.98818	2.7
69.56847	5.7
69.57243	3.7
70.54548	2.1
71.01373	16.9
72.63464	1.8
72.99303	3.9
73.02932	4.8
73.62817	2.1
83.00327	2.3
85.02963	8.5
89.02448	8.4
98.22662	3.1
99.00873	4.0
101.02461	11.3
104.10304	1.8
108.02190	23.3
109.02958	18.4
113.02431	9.1
123.04499	2.8
125.01003	3.2
127.05134	2.3
141.00485	4.4
159.01508	5.1
159.02849	2.6
161.04590	14.7
168.99918	6.8
173.03067	3.5
183.01517	2.5
184.00989	35.5
184.99649	3.0
185.01186	15.4
185.02876	3.1
186.00839	4.4
199.01001	4.1
199.70375	2.6
271.08310	12.9
326.02161	10.0
326.98712	2.9
327.02393	7.9
328.01923	3.8
347.04272	2.5
354.10101	2.4
374.99466	4.9
391.03775	3.1
409.19418	3.5
433.13483	100.0
434.13651	6.0
451.05502	4.8
469.10925	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26369	6.6
55.03804	6.1
59.01365	46.2
61.98819	13.8
70.25263	11.0
70.33543	5.8
71.01387	41.2
73.02951	11.1
80.11557	5.4
85.02971	8.0
89.02449	61.9
96.96004	33.2
97.02955	10.1
99.00877	13.1
101.02433	14.2
113.02445	11.8
124.01632	9.6
125.02417	36.1
127.58267	5.6
138.07274	6.8
139.03990	14.0
149.04514	13.3
154.31924	5.4
186.67726	6.6
191.05629	7.4
233.06703	18.1
278.83728	7.0
293.08817	97.1
433.13412	100.0
469.11108	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88313	1.0
57.03447	1.2
59.01384	42.0
61.98826	9.6
70.07845	0.7
70.50699	0.8
70.67254	1.3
71.01383	10.7
72.99305	0.9
73.02946	2.9
73.26343	0.9
80.91685	20.9
81.03464	1.4
82.95397	3.9
83.01380	1.0
85.02944	8.8
87.00875	2.0
89.02459	9.3
95.01385	1.3
95.05002	1.2
96.96047	5.1
98.99375	1.7
99.00900	2.1
99.92574	3.3
101.02435	8.3
113.02457	9.3
116.92905	1.2
117.00422	1.0
119.03494	2.7
128.03540	0.8
135.04414	1.2
141.00447	2.4
145.09995	1.0
159.01476	1.5
159.02914	1.1
161.09705	1.1
163.03777	39.5
163.05948	1.6
163.11247	5.3
181.04881	1.0
187.07391	7.5
191.01933	1.2
203.10616	1.2
204.99629	1.1
207.10268	11.5
217.08524	1.6
220.01915	1.1
225.11385	1.1
229.08461	18.1
230.55841	0.8
235.04326	1.9
247.09570	30.2
248.09859	1.6
265.09271	2.1
289.10712	13.3
291.08435	2.2
301.10675	1.1
319.83377	0.9
320.26840	0.9
321.08209	3.1
387.16589	39.9
388.16949	2.5
389.18060	1.5
409.14685	100.0
410.15076	5.3
469.14127	6.9
469.22931	1.2
470.08737	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
61.48409	0.4
61.98829	0.7
68.99814	0.6
71.01401	1.0
73.02970	0.4
83.01373	0.8
83.27574	0.4
85.02935	0.7
88.03991	0.5
93.03480	1.1
95.01408	0.6
98.21889	1.2
101.02461	1.4
105.03442	0.9
107.43554	0.4
111.00906	0.7
121.02934	2.0
122.03712	1.1
124.01676	2.0
125.02455	0.8
125.06071	3.8
136.01631	0.8
137.02435	4.9
138.03220	42.3
139.04037	4.8
148.01674	2.5
149.02458	4.6
151.03999	1.1
152.04761	1.0
153.05563	12.9
158.13536	0.4
161.02448	0.9
162.03210	4.1
163.04015	5.2
163.80330	0.5
164.01157	1.4
166.02719	26.9
167.03117	0.6
173.04567	0.9
174.31100	0.5
177.05630	0.6
178.02670	0.6
179.03444	2.2
180.04289	1.0
181.05066	100.0
182.05435	3.0
190.02751	1.6
191.03406	0.7
193.04994	1.7
205.04997	4.1
207.03041	2.3
211.06067	3.5
223.06114	6.1
250.06375	0.5
251.07210	1.1
278.49057	0.6
283.08365	2.7
287.09262	0.6
289.10788	3.8
295.06082	1.8
307.08249	0.6
307.11850	14.2
343.10315	25.7
344.10721	1.6
391.14069	1.6
409.15024	1.8
423.22275	0.9
451.15836	2.1
469.17044	25.6
470.17291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89082	1.4
59.01377	80.9
60.20776	1.3
61.98822	10.0
69.30976	2.7
69.31344	6.6
71.01377	63.0
72.99284	1.2
73.02937	12.9
82.83640	1.3
83.01393	2.4
85.02946	11.4
87.00865	1.9
89.02443	100.0
90.02776	1.5
96.95992	3.1
98.21873	2.5
101.02439	39.4
113.02457	11.9
119.03495	8.5
125.02438	2.6
125.88493	1.6
131.03502	30.2
135.04504	2.7
135.60278	1.2
143.03464	1.6
149.04553	92.9
161.02431	1.5
161.04552	3.5
179.03488	3.3
179.05595	4.9
180.58446	1.3
191.01814	1.7
191.05582	12.7
209.99118	1.3
213.04811	1.2
216.40520	1.2
228.99605	1.2
241.35728	1.3
251.07765	1.7
270.95569	1.4
277.12991	3.0
308.33066	1.4
311.09708	2.5
397.45447	1.4
409.17017	16.2
469.13568	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.4
58.02967	6.6
59.01371	18.8
61.98826	91.5
70.04230	2.9
71.01373	3.5
73.04068	20.5
79.95722	1.6
82.95377	1.5
83.85601	1.1
85.02946	11.9
85.04079	1.8
85.06606	1.4
86.03284	1.4
87.00880	2.3
89.02438	2.5
92.81272	1.2
93.03451	4.8
93.43655	1.1
96.96013	4.1
97.04063	5.5
99.00893	1.6
101.02422	3.9
109.02921	1.2
110.62493	1.2
111.00880	1.9
113.02511	2.2
115.05122	25.5
116.05060	5.4
116.92867	1.2
119.03473	1.2
127.05151	1.2
130.07759	2.5
130.08730	46.8
131.05066	1.5
133.03032	1.4
134.03722	3.7
138.02818	1.6
167.00163	2.4
173.04529	5.7
174.04800	1.7
174.77422	1.2
175.05029	2.4
178.02541	1.5
186.05618	14.1
191.01964	2.8
191.05647	2.1
191.07324	1.2
216.06673	5.6
216.13918	5.2
230.85771	1.3
241.00085	2.2
242.11990	1.6
245.09390	3.2
257.09174	2.5
277.15594	5.9
279.09705	1.4
376.18777	36.3
377.18878	2.0
388.18839	3.9
406.19800	100.0
407.19925	8.2
421.83972	1.5
439.23459	2.4
451.15305	2.0
469.11478	3.6
469.16873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96901	3.0
59.01371	12.4
61.98823	9.3
69.40672	9.3
97.03009	3.1
98.22702	3.7
104.75237	3.1
127.13509	3.1
130.35289	2.9
139.11241	2.8
158.84717	3.3
160.84218	45.8
162.83984	6.2
169.12366	2.9
171.99156	3.3
190.02777	4.0
191.44499	2.9
211.10173	3.0
222.01225	3.2
239.05580	2.8
265.07556	10.6
267.09244	13.8
269.07065	15.6
281.10638	3.6
283.08649	3.8
308.44775	2.9
309.10211	38.1
310.10675	3.3
349.16949	36.1
365.00101	3.3
398.09634	4.4
409.19089	100.0
410.19604	4.7
434.07053	4.7
469.32950	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82560	5.1
57.03432	6.2
59.01374	21.1
61.98866	6.2
66.33976	5.1
69.03453	5.8
69.22400	7.7
69.22807	23.4
71.01379	10.9
78.95892	10.1
80.68759	5.3
85.02950	73.5
86.03280	6.8
93.03473	7.5
96.96014	29.6
96.96986	5.3
101.02435	5.2
104.36549	5.1
111.00888	6.2
113.02485	5.5
134.03722	6.0
141.01776	5.6
147.02989	7.0
191.01952	11.2
280.47153	5.3
469.22177	100.0
470.22797	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01378	3.8
61.98808	0.6
69.03448	3.8
69.46452	2.3
71.05006	1.1
73.02944	0.8
85.06579	0.6
93.03458	0.8
109.06513	1.0
125.09688	0.9
132.06656	1.6
149.09717	1.2
160.84241	1.2
161.13341	1.3
162.83887	2.6
163.11339	3.1
167.10785	4.8
177.12872	1.8
179.10751	1.9
179.14410	5.2
179.54608	0.6
183.47775	0.5
190.53406	0.5
195.13896	13.6
196.14275	1.0
205.12357	13.7
206.12692	0.7
223.13394	100.0
224.13750	4.6
245.11589	26.9
246.11894	1.7
419.24515	1.1
432.06070	0.7
434.06018	0.6
469.25671	34.4
470.29025	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2571
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
59.01379	1.4
61.98820	1.5
68.08701	0.9
69.10032	5.9
77.56554	0.9
78.95904	20.4
96.96957	1.0
98.21857	1.7
110.98485	3.9
136.95166	0.8
139.79755	0.9
152.99573	30.4
167.01129	3.5
171.00592	2.3
227.03297	3.9
241.21721	100.0
242.21996	4.9
245.04256	1.6
257.22723	3.0
301.21707	15.7
302.22180	1.5
377.20920	1.3
469.25702	60.2
470.26358	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	Ganoderone C
Peak:m/z	Relative Intensity
60.91508	0.7
61.10082	0.7
61.98825	10.4
62.79485	0.8
66.90873	0.8
78.95898	3.1
135.04506	1.7
137.11401	1.0
152.99593	5.3
179.03691	1.0
227.03047	0.9
241.21724	26.3
242.21953	1.2
253.92938	0.9
295.22519	1.4
301.21341	1.1
324.02975	0.9
393.31747	1.1
410.63562	0.8
439.32166	96.2
440.32361	9.3
469.25876	12.7
469.33154	100.0
470.33337	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
50.61325	0.3
59.24952	0.3
61.98826	21.2
67.60361	0.3
69.17167	2.1
83.05025	0.6
96.09393	0.3
109.06587	0.7
127.01675	0.4
160.84209	7.5
242.43591	0.4
255.71283	0.4
287.28894	0.4
313.99283	0.3
378.17392	0.4
385.59512	0.4
405.31747	0.4
406.26755	0.9
407.32831	0.6
423.32196	0.4
461.18839	0.4
469.33194	100.0
470.04855	3.6
470.33542	11.4
470.78754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99419	0.2
57.03444	0.2
59.01379	4.2
60.01714	0.3
61.98829	100.0
62.71984	0.3
65.91344	0.3
69.42924	1.0
69.43291	0.5
70.44249	0.3
71.01382	0.8
73.02949	0.5
85.02974	0.5
101.02479	0.4
122.56502	0.3
145.06229	0.4
161.04494	0.3
183.05472	0.3
267.15714	0.3
327.16580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1141
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01368	0.4
59.44069	0.1
63.17997	0.1
68.29189	0.1
70.66571	0.1
71.01386	0.4
73.02929	0.1
75.26020	0.1
81.03458	0.5
83.68370	0.1
84.92433	0.1
85.02972	0.2
85.44904	0.1
89.03965	1.8
93.03439	0.2
95.05006	0.3
96.95991	0.2
101.02467	0.2
104.02681	0.4
105.03462	3.2
111.00877	0.4
113.02452	0.1
116.92850	0.4
133.02962	8.6
148.01683	0.5
149.02449	0.8
176.01183	1.2
177.01923	100.0
178.02254	3.1
189.47589	0.1
193.04971	0.2
219.02834	0.1
279.14426	0.4
352.74509	0.1
369.76697	0.1
411.18579	0.4
449.96375	0.1
471.11401	19.6
472.11826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26735	0.4
55.01864	1.2
57.03447	3.4
59.01380	5.7
60.36353	0.3
61.98822	1.0
71.01377	1.1
73.02942	1.8
75.00871	0.7
85.02953	15.5
86.17419	0.4
89.02431	1.4
89.03986	1.0
101.02438	7.2
101.06077	2.3
103.04013	10.2
111.01997	1.6
117.03475	3.7
119.03487	0.5
129.01953	1.7
134.03743	41.0
135.04109	1.0
147.03056	3.6
147.06633	100.0
148.07001	1.8
149.06058	4.7
160.01683	1.4
175.04012	2.3
175.28827	0.4
178.02718	1.6
192.91008	0.4
193.05052	47.7
194.05402	1.5
323.07748	10.5
324.07846	0.5
339.15503	0.8
471.14764	1.6
471.21320	0.6
498.24463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18197	0.3
55.01871	2.8
57.03454	2.6
59.01379	11.5
60.02012	0.3
61.98819	0.8
63.24255	0.3
69.03447	1.8
69.45769	0.6
69.46140	0.5
70.20601	0.4
71.01376	3.2
72.99344	0.4
73.02946	2.5
75.00859	0.6
83.01385	0.7
84.95113	0.4
85.02948	16.1
89.02455	2.1
95.01373	0.4
97.02996	0.5
97.06602	0.4
99.00878	0.5
101.02444	9.0
101.06059	1.7
103.04013	9.6
111.01986	4.4
113.02448	1.6
113.03548	0.4
117.03431	1.7
119.03504	0.8
120.99452	0.3
126.99483	0.3
128.76778	0.3
129.01962	0.9
130.08693	0.9
131.04602	0.4
133.03011	0.4
134.03740	35.4
135.04308	0.5
143.03499	0.4
147.02995	6.3
147.06630	100.0
148.07014	2.0
149.06050	2.2
160.01617	0.6
161.02443	0.4
161.13341	0.5
173.04556	0.5
175.03966	1.0
178.02719	1.3
185.00925	2.3
187.11249	1.7
193.05048	32.1
194.05402	1.1
205.12367	1.9
215.14365	0.4
223.13449	1.0
229.12376	1.2
235.06094	0.4
249.14851	0.4
267.12274	0.5
295.10330	17.7
307.19223	0.4
309.13553	0.8
323.07755	2.1
323.10825	0.4
325.20236	0.7
339.15555	2.1
436.24338	0.6
471.14142	1.8
471.28067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	99.8
60.27807	2.8
61.98836	4.6
69.03468	4.6
69.58253	8.5
71.01388	24.9
73.02956	20.8
78.95891	3.3
79.95741	9.6
80.91695	4.7
80.96517	39.9
82.95379	2.7
83.01390	7.1
85.02944	10.5
87.00855	3.1
89.02456	9.7
94.98085	9.1
96.96000	5.0
97.02985	4.6
101.02443	21.3
113.02447	9.5
125.02435	5.2
125.06093	4.5
134.03751	5.6
138.06892	12.1
139.07668	3.7
148.99219	4.2
149.04509	2.5
149.06058	3.5
151.07657	10.5
152.08430	20.9
152.98550	4.4
152.99692	5.4
153.09224	71.2
160.01672	3.7
161.04593	5.3
164.98613	8.6
171.10275	4.9
175.03964	3.2
178.02676	3.7
180.03516	4.2
193.05043	14.5
205.12372	22.2
223.13402	15.3
225.00751	11.1
225.11270	3.9
235.05997	3.3
243.12401	3.5
249.14912	3.1
367.17636	11.2
385.18442	5.0
397.11353	3.0
427.19849	4.8
471.15555	100.0
471.22052	5.9
472.15817	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01379	56.6
61.98830	7.1
63.96244	2.3
66.20231	1.3
66.86353	1.1
69.09057	2.7
69.09473	5.0
71.01379	19.4
73.02945	38.9
74.03291	1.1
78.98584	5.6
79.95744	8.7
80.96514	64.6
81.03451	1.8
81.46397	1.2
82.95398	2.6
83.01395	9.1
83.05042	1.5
84.95095	5.9
85.02938	7.1
87.00880	4.1
89.02439	8.3
92.39119	1.2
94.98086	14.4
96.58431	1.2
96.96011	2.0
97.02937	2.0
100.38714	1.3
101.02438	26.5
106.98109	2.2
109.02832	1.2
113.02444	5.7
115.00408	1.5
116.92886	8.1
119.03485	2.0
121.02946	5.0
122.97572	2.8
125.02428	3.8
128.03520	2.7
131.03505	3.1
134.97614	3.7
143.03505	1.5
148.99121	5.0
149.04552	3.8
152.98636	5.2
161.04524	4.9
164.98598	10.6
171.10210	4.2
175.03992	1.5
179.10773	5.5
193.04999	1.5
206.99628	1.8
223.05113	1.3
225.00742	12.1
255.06705	1.7
299.04550	2.4
328.59674	1.3
353.38797	1.3
414.20367	1.4
425.49997	1.4
471.15402	100.0
472.15659	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80072	0.5
57.03440	0.7
59.01377	100.0
61.49278	0.4
69.03436	0.5
69.14227	2.0
69.14624	0.8
71.01382	7.4
72.99301	0.4
73.02948	2.3
81.03484	0.5
83.01416	1.3
83.05021	0.7
85.02944	3.4
87.00888	1.1
89.02444	6.0
90.04203	0.5
95.01372	0.6
95.05025	0.8
96.96014	0.7
97.06566	0.7
99.00874	0.7
99.04526	0.6
100.93376	2.2
101.02442	6.6
106.09839	0.4
107.05035	1.0
111.00837	0.6
113.02434	6.1
115.92082	2.1
116.92878	2.0
119.03487	2.3
120.05844	0.9
125.02623	0.5
131.03493	0.4
131.04652	0.4
135.04517	1.1
143.03471	0.7
145.06226	1.0
147.06616	1.0
149.04536	0.6
157.06573	1.2
159.08150	1.0
159.11813	0.9
160.58870	0.5
161.04568	2.4
161.09799	1.0
161.13353	8.4
169.10248	0.9
172.08910	0.5
179.05663	0.9
185.09760	0.9
185.13400	0.9
187.11278	21.8
188.11620	1.1
203.14374	1.1
205.12329	26.2
206.12714	0.8
215.17668	0.4
223.13353	3.5
229.12361	5.8
231.10461	0.6
247.13417	2.1
249.11308	5.0
249.15012	1.0
259.13519	0.5
265.14594	2.1
267.12347	2.2
271.13574	0.5
283.13330	0.9
291.12503	0.6
293.42563	0.5
307.19244	0.6
309.13412	12.8
309.16769	0.8
310.13834	0.9
325.20184	0.5
328.33401	0.5
411.16269	0.9
453.12515	0.8
471.13013	0.8
471.18729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64542	0.3
55.01876	0.5
57.03428	0.4
59.01378	100.0
60.01717	0.6
61.98842	0.5
66.02316	0.4
69.03449	4.2
69.21143	0.8
69.21532	1.1
71.01378	4.6
73.02951	4.4
77.38926	0.4
83.01398	1.4
85.02940	2.3
89.02453	2.6
89.02945	0.3
95.01383	0.6
95.05045	0.5
97.02945	0.4
97.06516	0.4
98.22605	0.8
99.00900	1.1
99.04503	0.8
101.02450	5.3
107.05031	0.6
111.04571	0.4
113.02454	5.6
114.03265	0.6
119.03534	0.6
120.05775	0.4
125.02545	0.4
127.05154	0.5
131.03525	0.4
143.03526	0.5
145.06175	3.1
147.06615	0.4
147.11858	0.5
148.09006	0.5
151.48187	0.4
161.04599	1.4
161.13376	2.9
163.11339	0.4
179.07996	0.4
185.00946	2.6
185.13411	1.4
187.11275	9.3
201.12856	0.5
203.14470	1.5
205.12335	10.6
205.14255	0.6
207.17628	0.4
215.14603	0.4
223.13548	1.1
229.12289	5.4
229.95946	0.4
241.12354	0.6
247.13499	2.5
249.11273	3.4
249.15012	0.9
251.16634	1.4
259.13556	0.8
265.14508	0.8
267.12555	0.8
273.00211	0.4
291.12512	0.7
309.13431	5.4
351.14630	1.0
381.15393	0.5
394.01364	0.4
411.16119	2.9
429.21695	1.3
471.22702	14.9
472.22964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01380	100.0
60.01709	0.8
61.98834	0.7
69.03445	0.5
69.16037	0.9
69.16437	1.9
71.01384	6.4
73.02950	7.3
82.95412	0.7
83.01405	1.8
83.05090	0.6
85.02967	2.0
87.00886	0.7
88.04063	1.2
89.02422	3.5
99.00887	0.5
99.04522	14.5
101.02451	9.3
106.23349	0.5
113.02438	4.3
117.58524	0.4
119.03547	1.4
125.68974	0.5
130.08739	3.5
131.03526	1.2
131.04498	0.5
134.03778	0.6
143.03540	0.9
145.06247	1.0
149.04601	1.3
161.04601	2.1
161.13393	1.2
179.03622	0.6
185.13390	0.9
187.11264	5.1
187.12543	0.5
191.05693	0.6
203.14478	1.5
205.12331	6.8
213.12488	0.8
229.12332	3.0
247.13451	1.8
249.11453	2.2
259.13348	0.8
267.16132	0.8
298.23410	0.5
309.13556	2.2
389.67886	0.5
411.16653	1.4
429.17468	0.6
453.22302	0.6
471.22836	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Linagliptin
Peak:m/z	Relative Intensity
57.03457	1.8
58.26545	1.3
59.01381	100.0
61.98829	20.4
62.11609	1.2
62.16925	1.5
70.50164	1.6
71.01386	17.0
72.99316	1.9
73.02950	26.4
74.04430	1.2
75.68253	1.1
76.12901	1.2
76.13337	1.1
78.66815	1.1
83.01378	4.1
85.02953	8.0
85.03389	1.1
87.00875	1.4
89.02455	9.2
95.01405	1.8
98.22514	1.2
99.00871	1.7
101.02444	17.5
111.00887	2.7
113.02456	7.3
119.03520	2.4
125.02433	1.7
125.76119	1.5
127.05161	1.8
128.03555	2.7
130.00104	1.2
130.08643	1.3
135.02971	3.7
135.11810	1.6
137.61174	1.3
145.06177	9.6
146.04619	5.1
154.99828	1.4
161.04561	5.7
171.10254	2.1
174.84526	1.4
179.10760	10.4
185.06192	1.2
187.11279	1.8
205.12305	2.0
209.11868	2.0
211.13521	1.4
227.07123	2.6
241.08626	1.9
243.06590	2.2
243.17169	5.8
248.14029	1.3
249.11256	1.7
249.14912	9.3
325.20193	4.3
326.15005	1.7
366.33862	1.2
371.20706	1.5
375.78476	1.2
411.20160	5.3
429.20901	2.3
471.22354	61.4
472.22586	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
58.26545	1.3
59.01381	100.0
61.98829	20.4
62.11609	1.2
62.16925	1.5
70.50164	1.6
71.01386	17.0
72.99316	1.9
73.02950	26.4
74.04430	1.2
75.68253	1.1
76.12901	1.2
76.13337	1.1
78.66815	1.1
83.01378	4.1
85.02953	8.0
85.03389	1.1
87.00875	1.4
89.02455	9.2
95.01405	1.8
98.22514	1.2
99.00871	1.7
101.02444	17.5
111.00887	2.7
113.02456	7.3
119.03520	2.4
125.02433	1.7
125.76119	1.5
127.05161	1.8
128.03555	2.7
130.00104	1.2
130.08643	1.3
135.02971	3.7
135.11810	1.6
137.61174	1.3
145.06177	9.6
146.04619	5.1
154.99828	1.4
161.04561	5.7
171.10254	2.1
174.84526	1.4
179.10760	10.4
185.06192	1.2
187.11279	1.8
205.12305	2.0
209.11868	2.0
211.13521	1.4
227.07123	2.6
241.08626	1.9
243.06590	2.2
243.17169	5.8
248.14029	1.3
249.11256	1.7
249.14912	9.3
325.20193	4.3
326.15005	1.7
366.33862	1.2
371.20706	1.5
375.78476	1.2
411.20160	5.3
429.20901	2.3
471.22354	61.4
472.22586	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09957	0.6
57.03444	1.7
59.01378	19.8
61.98817	1.3
62.61761	0.5
67.01875	0.9
69.03458	4.7
70.32932	1.2
71.01378	8.9
73.02933	0.9
79.58242	0.5
83.01352	1.2
83.05034	0.8
85.02936	3.1
87.00877	0.8
89.02448	6.3
95.01400	1.6
97.06573	1.9
99.00892	0.7
101.02438	5.3
113.02438	2.7
119.03496	3.2
121.10217	6.9
123.08105	0.7
125.09722	9.4
141.12831	0.7
163.11240	0.7
165.12851	1.4
167.14415	1.1
171.10214	2.5
171.87054	0.5
185.09348	0.6
185.11838	7.8
191.14424	0.6
197.11797	2.7
203.10802	1.2
209.11795	2.1
211.13380	38.6
212.13741	1.0
221.11844	1.1
223.13463	0.7
239.12900	3.5
243.12341	1.1
273.18622	1.7
291.19650	42.9
292.19931	2.5
309.20828	4.8
462.48798	0.6
471.25949	100.0
472.26331	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.46321	0.5
57.03435	1.1
59.01377	46.4
61.98803	1.3
69.03469	0.7
71.01378	20.5
71.44680	0.9
72.99297	0.9
73.02951	0.8
80.14762	0.6
83.01350	1.2
83.04988	0.8
85.02947	5.1
87.00869	0.8
89.02439	13.6
91.82178	0.6
93.04623	0.5
95.01367	1.7
95.05023	0.8
97.02941	1.9
101.02444	9.4
111.08163	2.7
113.02450	5.9
115.87153	0.6
119.03468	4.4
119.08624	0.9
137.09744	4.8
137.17186	0.7
142.99913	0.9
158.67642	0.6
167.10751	0.7
171.10255	10.9
177.12759	0.7
179.10806	0.7
185.11804	0.8
195.13959	2.7
197.11697	0.8
209.11861	1.3
211.13380	1.7
225.11304	1.1
227.12894	0.7
243.12532	0.8
247.20526	0.7
251.16515	1.0
273.18695	1.6
281.14130	0.6
291.19656	15.7
292.19891	0.7
309.20596	2.0
431.70795	0.6
453.25119	1.2
471.25955	100.0
472.26373	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26015	1.2
57.03434	2.6
59.01378	34.8
61.98815	3.7
69.03441	1.3
69.07950	8.7
70.45160	1.1
71.01381	20.2
73.02930	2.2
83.01353	1.3
83.05019	1.3
84.14564	1.2
85.02946	5.4
89.02446	10.6
101.02447	8.6
107.09415	1.2
108.04571	2.0
109.06548	1.3
111.87934	1.2
113.02449	4.3
119.03502	3.7
133.25899	1.2
151.11304	1.8
152.07144	1.9
160.84229	4.4
161.84271	1.3
162.83894	9.6
163.67348	1.3
195.76424	1.2
197.11789	8.1
199.01460	1.5
209.11690	2.1
211.13393	18.4
225.11232	2.2
273.12454	1.7
291.19662	26.3
309.20743	5.9
434.07373	2.1
435.07431	3.1
436.06985	5.5
471.25974	100.0
472.26321	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
59.01379	8.1
61.98824	2.5
62.76726	1.1
65.17258	1.1
71.01379	3.4
71.80586	0.8
73.22574	0.9
74.15378	0.8
74.84538	0.8
83.05029	1.5
83.48139	0.9
83.85763	1.0
85.02951	1.5
89.02454	1.4
101.02446	2.6
109.06608	2.5
111.08208	2.2
113.02459	2.2
125.09741	1.6
127.11299	1.7
135.51704	1.0
149.75166	0.9
151.11305	1.7
153.12880	4.5
160.84137	1.2
162.83899	2.3
163.11235	1.7
165.12965	1.0
167.10822	2.6
179.10670	1.2
179.14415	2.6
181.12360	3.6
188.35370	0.9
197.11847	3.3
199.13503	1.9
207.10199	2.3
207.13930	3.4
209.11836	2.8
211.13277	1.2
215.12811	1.3
225.11227	1.8
226.12166	1.6
227.12933	3.0
228.13640	1.2
247.20717	4.1
265.21786	1.5
273.18686	2.5
291.19653	31.6
292.20081	1.9
309.20691	100.0
310.21161	5.1
323.22141	1.5
349.42719	0.9
351.21857	1.5
425.84085	1.0
471.26028	36.7
472.26547	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
69.96088	0.7
75.77269	0.2
75.82074	0.2
86.45077	0.2
90.65652	0.2
90.66177	0.2
145.74524	0.2
160.11491	0.2
224.43936	0.2
393.31689	0.6
423.32794	0.7
471.34772	100.0
472.35092	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.21695	0.6
54.47346	0.6
61.98827	3.3
105.09657	0.7
140.45988	0.7
195.73587	0.7
196.73102	0.7
299.17892	0.7
471.34753	100.0
472.35074	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.98766	0.3
52.60566	0.3
61.98819	0.4
69.28794	1.8
71.05006	1.4
84.37701	0.4
115.48734	0.4
120.15590	0.3
122.91297	0.3
123.88228	0.3
135.04510	0.5
179.03555	0.6
278.41562	0.3
307.18201	0.4
399.90533	0.3
405.31705	0.5
406.96893	0.3
407.33209	0.7
411.32562	1.0
427.35883	0.7
439.32040	0.5
441.34448	0.4
451.32376	0.7
453.33685	12.9
454.33984	1.1
455.82965	0.3
471.34760	100.0
472.35120	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99734	0.2
81.13924	0.1
87.42339	0.1
104.86615	0.2
112.25061	0.1
129.16606	0.1
147.60579	0.1
168.82919	0.1
233.68925	0.1
407.33307	0.3
425.33890	0.2
425.83643	0.2
471.34750	100.0
472.35114	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74831	1.3
55.36858	0.9
57.27066	1.0
59.01389	2.1
61.98815	2.3
64.35891	0.9
67.69489	0.9
71.07551	1.0
78.94852	1.0
96.99944	1.1
98.63268	1.0
103.92001	1.3
125.87313	6.0
127.87036	7.3
128.87807	1.9
140.49174	0.9
154.89331	1.2
157.86302	1.9
159.85959	3.6
160.84212	10.8
162.83913	100.0
183.87871	1.1
185.87596	2.6
198.88455	1.3
254.98785	2.5
262.00809	1.4
275.01575	1.9
313.18036	0.9
329.02249	1.9
400.10968	3.0
434.07199	15.6
434.12759	1.8
436.06897	33.8
437.07254	2.7
472.04556	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49066	1.4
59.01376	5.3
61.20596	1.4
61.98829	100.0
69.27180	7.7
71.01367	2.3
73.61438	1.3
81.03474	1.7
100.11007	1.5
109.06598	6.8
112.07041	1.3
115.00311	2.0
115.10391	1.4
132.06662	2.3
145.01424	4.6
160.84167	3.1
162.84013	3.2
163.11259	8.3
164.11658	2.7
164.31950	1.4
164.83574	6.5
173.46313	1.6
175.99197	1.5
181.12318	1.8
200.88396	1.7
201.11388	2.1
207.10246	11.1
208.10715	2.1
209.11798	7.6
225.11319	2.3
227.12930	9.4
257.72311	1.5
293.21548	2.0
311.22394	1.6
385.20740	1.6
471.29510	4.4
472.34778	2.1
496.50964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46935	1.8
57.03437	2.8
59.01378	100.0
60.01713	1.9
61.79338	1.8
61.98837	8.9
65.90124	1.8
71.01378	22.4
73.02948	19.0
82.95401	1.9
83.01376	5.3
85.02950	8.7
89.02452	15.8
99.00829	2.2
99.10098	2.0
101.02438	22.4
103.04037	2.1
108.82481	1.7
111.02038	2.9
113.02463	12.6
119.03494	5.9
122.59167	1.8
131.03488	2.3
138.89986	2.1
143.03468	4.1
147.06644	12.8
148.06979	6.0
149.04553	4.2
161.04575	8.3
179.05673	3.4
200.32086	1.8
358.59564	2.2
387.20428	2.7
413.21664	3.0
429.17374	2.3
472.21820	3.0
473.27588	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.46684	3.3
61.98811	7.9
69.03458	7.4
69.12532	7.8
69.12930	15.7
71.01389	17.4
73.02942	8.9
85.02936	10.2
87.00880	14.8
88.98818	3.6
89.02445	14.0
97.02929	3.6
101.02428	11.6
113.02457	11.0
119.03513	5.4
124.62830	3.1
145.07764	5.8
146.03693	3.3
147.06602	5.9
152.07155	14.0
161.04581	6.5
171.86406	3.4
179.07063	5.7
199.53783	3.1
203.09422	3.8
205.97285	3.7
218.11894	8.3
235.00423	3.2
246.55466	3.6
248.18568	3.5
251.27589	3.3
330.27014	3.1
387.20142	8.1
413.21149	3.7
429.21307	4.9
472.20660	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.78730	1.8
61.58824	2.1
61.98824	15.0
67.73457	2.1
69.25575	5.1
69.25959	5.0
71.01366	15.3
73.02943	21.9
76.83990	2.2
83.01388	5.5
83.98413	2.0
84.72041	2.0
85.02946	8.8
89.02402	10.3
93.03432	3.0
96.96006	2.5
98.22668	4.2
99.00863	2.9
101.02444	26.4
111.02020	5.7
113.02434	12.2
119.03499	3.7
128.03510	4.0
131.03467	2.2
132.03049	2.0
133.96657	2.1
147.06607	2.8
149.04567	3.0
161.02266	2.2
161.04575	6.0
179.05533	3.0
227.10481	2.3
413.21652	3.6
446.02484	2.2
472.22278	6.2
473.24948	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67188	0.5
54.57582	0.4
57.03444	0.4
59.01377	8.0
61.98827	1.1
64.78753	0.4
66.88158	0.4
69.43515	1.5
71.01384	3.3
73.02941	1.2
82.95398	0.6
84.95113	3.8
85.02952	1.8
87.00856	0.6
89.02443	3.0
91.64501	0.4
93.03444	0.4
96.96011	1.2
99.00896	1.4
101.02447	0.9
107.05016	1.1
109.02953	0.4
111.00868	0.6
113.02425	1.4
119.03461	0.4
119.05038	0.6
121.02985	0.6
121.26420	0.4
124.46189	0.4
131.03436	0.5
133.02962	1.6
134.03720	5.2
135.04524	100.0
136.04845	2.9
137.02396	0.7
149.06058	0.9
158.92007	0.5
161.02483	0.7
161.04556	0.5
171.10022	0.4
177.05621	1.1
177.81268	0.4
178.02664	0.9
179.03491	79.5
179.25407	0.4
180.03816	2.0
191.05569	2.6
215.70433	0.5
221.04587	0.8
297.09799	0.7
323.07657	1.7
341.08798	7.4
342.09079	0.6
413.14597	2.6
429.13919	1.2
431.15469	1.9
473.12964	65.5
474.13165	3.8
487.12628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01376	7.5
59.97794	0.3
61.98820	0.5
63.35610	0.3
70.94878	0.4
71.01379	3.5
71.73206	0.3
72.68262	0.3
72.99352	0.3
73.02938	0.6
78.95921	0.4
82.95415	0.5
83.01392	0.4
84.95117	3.9
85.02957	1.4
87.00897	0.4
89.02447	3.2
93.03458	0.5
95.01397	0.5
98.22321	0.4
99.00880	1.2
100.93369	0.4
101.02451	1.4
101.83044	0.3
107.05032	1.3
111.00847	0.5
113.02447	1.5
115.00437	0.4
116.92825	0.5
118.46172	0.3
119.03501	0.6
119.05069	0.3
121.02963	0.6
130.08679	0.3
133.02966	1.5
134.03734	5.6
135.04524	100.0
136.04843	2.3
137.02437	0.9
137.06018	0.5
139.04005	0.6
149.04509	0.5
149.06143	1.0
159.04474	0.6
161.02342	0.4
173.04538	0.5
177.01904	0.6
177.05605	1.6
178.02690	1.4
179.03491	83.3
180.03854	3.1
191.05548	2.3
221.04529	0.7
223.06145	0.3
297.09769	0.7
323.07758	1.0
341.08755	7.5
342.09122	0.4
413.14523	3.0
429.13907	1.1
431.15576	1.8
435.02176	0.4
473.12955	67.8
474.13312	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68325	1.2
59.01381	100.0
61.98824	6.8
69.00352	1.1
71.01382	23.7
72.99305	2.1
73.02951	13.9
74.52444	1.3
78.81131	1.2
79.95745	2.9
80.96516	14.8
82.95410	3.9
82.96071	2.3
83.01391	2.1
84.95123	6.5
85.02949	9.1
87.00859	3.7
89.02449	16.0
94.98084	3.9
95.01373	2.3
96.96009	3.8
97.02943	1.9
99.00896	2.4
101.02442	19.4
111.00875	1.7
111.04492	1.6
112.01639	1.3
113.02460	11.8
114.05652	1.6
119.03497	6.6
119.04957	1.2
121.02934	1.4
125.02424	1.5
125.16880	1.2
128.03528	2.1
129.10312	2.0
130.05101	1.3
131.04617	1.2
132.02196	2.4
134.03740	6.7
136.57388	1.4
141.01837	1.3
143.03447	1.6
148.99040	1.7
149.06134	6.6
150.53505	1.4
155.08188	1.6
160.01663	18.5
161.04567	5.8
163.11252	2.6
164.04776	3.9
164.98654	2.7
173.11731	1.6
175.04007	21.3
179.05574	3.3
179.07071	2.7
186.47910	1.2
193.05046	10.5
207.10236	4.9
225.00792	2.8
235.06088	2.8
239.31265	1.2
245.11453	1.8
249.16051	2.7
305.08569	1.5
311.10910	1.3
387.16599	3.5
413.21890	4.4
429.17618	41.4
430.17941	3.2
473.16699	52.1
473.22910	1.8
473.30652	6.1
474.16870	3.4
475.21558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03453	1.4
59.01376	24.1
61.98823	1.4
71.01379	6.1
73.02946	4.1
75.34830	0.5
78.95913	0.8
83.01414	0.9
84.95119	2.0
85.02937	3.1
87.00866	1.1
89.02459	3.5
93.03455	0.7
96.96014	7.9
97.02888	0.8
99.00896	1.4
101.02441	4.8
111.00828	0.7
113.02449	3.6
119.03520	0.7
120.01258	0.4
121.02949	1.2
125.02446	1.1
128.03551	1.6
130.08730	1.1
134.03706	2.6
135.04535	1.4
143.03529	0.7
149.04486	0.5
152.99583	1.4
156.84442	0.5
161.04550	2.4
162.03220	76.5
163.03580	2.2
163.11276	0.6
171.10019	0.6
177.05563	100.0
178.05957	3.7
179.03552	0.7
179.07162	2.0
191.05624	0.8
193.05098	0.6
201.11281	3.0
209.11804	2.6
269.10300	1.5
329.35159	0.6
346.74734	0.5
413.14502	0.6
429.17661	1.8
431.15421	3.6
437.20050	0.9
455.16776	0.6
473.11899	0.9
473.17725	5.7
473.25333	1.7
495.30484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59241	1.4
52.61860	1.2
57.03408	1.8
59.01379	100.0
60.01714	1.9
61.98821	5.2
63.40856	1.4
71.01379	20.4
72.99275	1.5
73.02950	16.7
79.95712	2.2
80.96519	15.4
82.95395	4.0
82.96126	1.8
83.01385	3.9
84.48057	1.1
84.95120	6.3
85.00431	1.3
85.02940	9.5
87.00873	5.0
89.02447	17.8
94.98101	2.0
96.96000	3.7
97.02934	3.2
99.00861	2.5
101.02441	17.0
113.02445	10.1
116.07047	1.5
119.03490	6.4
128.03554	1.7
129.10359	3.7
132.02209	3.4
134.03770	6.5
134.20804	1.3
135.06596	1.4
141.01802	1.7
143.03435	2.9
149.06052	8.8
155.08260	4.1
160.01677	20.0
161.04544	5.9
163.06078	1.6
163.11179	2.0
164.04784	3.3
164.98579	1.5
175.03999	25.7
179.05618	3.1
179.07126	2.9
191.06946	1.6
193.05072	12.9
195.06572	2.6
201.17485	1.3
207.10239	4.7
225.00745	3.1
233.98709	1.5
235.06032	3.9
241.30429	1.3
245.11441	2.1
249.07387	1.3
249.16006	2.9
305.08829	2.5
358.17770	1.5
387.16507	3.5
413.21802	4.6
429.17682	33.1
473.16675	53.8
473.30988	10.0
474.16858	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01711	1.1
61.98825	0.4
65.03956	0.3
69.15261	1.4
71.01387	2.5
73.02964	1.0
83.01389	0.4
83.05043	0.3
85.02975	1.0
87.00893	0.5
89.02443	1.4
93.51421	0.2
97.02921	0.3
99.00887	0.5
101.02452	1.8
107.05063	0.5
113.02463	1.3
119.03507	0.4
140.76134	0.3
147.61124	0.2
161.04622	1.0
161.09781	1.0
161.13429	0.7
164.04796	0.6
179.07216	0.6
187.11288	1.3
188.11670	0.5
189.09218	0.7
191.05852	0.3
205.12390	1.0
206.12663	0.3
207.10349	0.4
223.08333	0.6
249.11444	0.7
413.22083	0.8
473.20245	4.7
474.20737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30042	0.7
53.43255	0.6
57.03453	0.8
57.79551	0.7
59.01375	50.4
61.98814	0.6
65.36843	0.6
71.01376	23.1
72.03111	0.7
72.72705	0.7
72.99290	1.1
83.01382	1.1
85.02946	4.8
89.02439	22.6
93.95157	0.7
95.01389	2.2
101.02436	14.4
104.23016	0.6
113.02451	8.2
119.03496	8.9
121.10216	2.8
125.09711	0.7
131.03510	0.7
139.11279	0.9
143.03494	0.7
171.10254	10.5
179.05554	1.0
201.11302	7.8
215.81166	0.8
231.21312	1.0
257.66824	0.7
260.40518	0.7
275.20102	11.3
293.21176	14.3
294.21341	0.8
297.23239	0.6
311.22348	4.4
358.35342	0.7
388.89365	0.6
473.27505	100.0
474.27692	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2906
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
62.17176	0.9
63.94566	1.0
69.72638	3.6
74.21439	1.0
78.92696	1.1
78.95884	1.3
84.03403	1.1
99.92596	1.3
105.03446	3.1
110.98481	1.3
132.02174	9.0
133.02942	19.3
134.03751	17.6
135.04509	4.2
137.02470	2.6
139.03972	1.3
148.05260	5.7
149.06056	1.1
159.80443	1.1
160.01648	45.3
161.02441	9.4
161.06081	2.7
162.03247	1.1
175.03996	100.0
176.04372	3.5
178.02690	2.8
179.03482	3.1
193.05058	7.2
222.40329	1.3
233.08228	2.0
245.02916	1.2
247.09731	1.2
261.11383	1.3
270.58426	1.1
271.93619	1.1
275.13025	1.6
297.24356	13.6
305.24768	8.3
329.17667	1.7
330.18475	1.8
343.18982	2.5
373.27319	1.9
381.54434	1.3
441.26572	5.7
473.29010	66.9
474.29431	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3271
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
60.36083	1.2
60.43969	1.4
61.98851	3.2
65.37437	1.5
69.03464	6.6
69.54310	6.0
78.95921	4.7
80.02687	2.5
88.42155	1.4
98.21891	2.0
107.05066	4.7
109.06587	82.2
110.06944	2.4
110.98519	2.6
118.49706	1.4
129.03378	1.3
132.02238	2.3
133.02951	2.2
134.03775	3.7
148.05298	1.8
151.29892	1.5
160.01599	6.9
167.01151	3.0
175.03978	19.1
182.77815	1.3
297.24435	2.3
305.24887	19.8
306.25110	1.4
317.28549	2.0
355.30194	3.3
357.31650	37.8
358.32181	1.4
383.33368	2.4
385.34705	15.0
393.31488	1.6
411.32578	10.6
429.33670	46.2
430.34317	2.9
473.32947	100.0
474.33078	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	46.7
61.72840	5.6
61.98817	24.0
71.01377	17.3
85.02947	9.0
100.47770	5.9
101.02435	12.4
127.86941	6.6
147.04497	6.5
164.07147	5.7
164.83621	29.1
191.05609	5.9
223.16989	9.0
224.17242	8.8
254.61407	5.8
310.20578	7.3
311.22214	9.5
312.22574	12.2
370.40103	5.5
431.17270	28.4
436.06790	18.1
438.06567	13.2
473.27667	30.3
474.27841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94225	1.8
59.01376	8.9
61.98825	5.7
63.82666	1.8
65.34933	2.1
69.55918	2.7
69.56255	7.5
69.74756	2.2
71.01379	4.3
72.00903	10.4
85.02950	10.7
89.02443	6.7
101.02466	4.4
103.04013	6.3
135.04570	2.2
136.04755	2.5
139.06087	2.1
147.04543	32.4
147.06627	100.0
164.07170	83.7
165.07558	2.7
250.01735	2.3
415.14587	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	100.0
61.98819	57.7
62.95595	18.1
69.25959	59.9
69.26360	41.2
73.32886	16.7
88.37273	21.4
164.83630	65.1
461.63895	25.7
474.28342	38.4
475.28662	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36057	0.3
52.63498	0.3
54.03353	0.3
59.01391	0.5
61.98827	0.7
69.62332	0.8
69.62730	0.8
78.95904	100.0
83.96257	0.3
84.17606	0.3
96.96964	8.3
122.00088	0.4
137.10570	0.4
140.01170	1.2
147.72476	0.3
151.93341	0.3
152.99588	16.1
162.83934	0.8
164.83588	1.6
166.83278	0.6
171.00641	17.3
196.03792	1.5
214.04904	0.3
277.21729	14.9
278.22095	0.6
304.52542	0.3
400.22470	1.3
444.27499	0.6
474.26227	60.1
475.26401	4.1
487.24652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15615	0.3
59.01380	2.7
63.46159	0.2
71.01381	0.9
72.23017	0.2
72.99290	0.3
75.00866	0.4
84.93861	1.3
85.02979	0.4
91.46407	0.2
96.96040	1.0
98.95553	0.4
99.92587	10.3
99.93254	0.5
100.92668	0.5
100.93359	10.3
101.02425	0.4
103.00322	0.5
115.92080	14.3
116.92863	100.0
117.92889	3.7
117.93652	0.6
119.03460	0.3
132.92368	0.3
140.92834	0.6
141.93637	0.7
142.94441	1.1
156.92365	0.9
158.93915	0.7
163.03830	0.3
173.92627	0.5
184.91830	1.9
184.95572	0.3
185.92551	0.5
195.13873	1.5
196.95477	0.6
222.63626	0.3
253.05400	0.3
259.96231	0.3
324.30597	0.3
353.06897	0.5
371.08020	3.3
372.08621	0.5
389.09146	3.2
401.09323	0.7
413.09073	1.4
414.03510	0.3
431.10141	3.7
432.10223	0.5
439.06879	0.8
445.08585	0.3
445.16599	0.3
475.09143	10.7
475.21902	0.8
476.09457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
59.01379	32.2
61.98830	0.8
65.53149	0.6
68.67369	0.6
71.01389	5.1
73.02937	1.7
73.52854	0.7
75.42664	0.7
85.02975	1.0
89.02435	2.9
93.03482	1.0
93.07059	0.8
94.44128	0.7
95.04991	0.8
96.96009	0.9
98.22043	3.5
99.00873	1.2
101.02449	2.0
107.05036	1.3
109.02935	6.1
109.06584	4.5
113.02422	1.6
119.05029	5.0
121.02955	5.7
122.03777	1.8
133.01674	0.8
135.04546	9.7
136.05273	0.8
137.06084	31.6
138.06329	0.7
146.03755	10.3
147.04265	0.7
150.42450	0.7
161.04706	1.1
161.06052	4.2
164.04802	8.2
166.02701	3.1
179.07129	39.2
180.07539	1.7
181.05063	100.0
181.08585	2.7
182.05473	3.5
223.06142	2.1
312.02731	1.4
313.03311	1.5
325.09158	2.6
343.10233	13.1
408.03683	0.6
415.15689	1.6
475.14542	84.1
476.14886	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.5
63.96893	0.4
69.54478	0.9
69.54872	0.6
71.01382	1.6
83.06289	0.3
85.02947	0.4
89.02438	0.8
98.22215	1.3
101.02431	1.2
106.88965	0.3
107.05002	0.3
113.02435	0.7
121.02997	0.5
127.10621	0.4
135.04507	1.4
137.06070	2.2
140.99442	0.4
145.02937	0.9
146.03738	31.4
147.04411	0.7
161.04575	1.6
161.06059	11.4
163.03955	0.5
164.04793	23.6
165.05156	0.5
179.07129	100.0
180.07457	3.1
181.05072	7.2
210.16760	0.4
217.72662	0.4
275.40012	0.4
300.28726	0.4
343.10422	0.6
415.16061	1.7
475.14511	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1971
Annotation	Norcaesalpinin D
Peak:m/z	Relative Intensity
59.01381	100.0
60.01717	0.5
61.98830	0.5
69.62482	0.4
69.62838	1.3
83.65343	0.4
84.17730	0.4
93.03477	0.5
99.90628	0.3
105.03451	0.6
106.44218	0.4
109.02975	1.1
121.02958	2.3
122.03777	0.3
123.04498	0.4
137.02454	3.5
139.03976	0.5
146.33389	0.4
147.04509	1.2
150.03296	0.4
151.03992	2.6
159.04565	0.5
161.02435	2.9
161.06097	1.1
162.03152	0.7
163.04016	0.4
173.06067	0.7
174.06853	0.7
175.04005	1.2
185.02162	0.8
188.04836	0.5
189.05582	3.7
207.06731	0.4
279.12347	0.5
297.11377	0.4
310.08411	1.5
313.10864	0.4
325.10794	3.0
332.62100	0.4
340.13132	1.3
343.11792	1.1
355.15515	2.0
358.14227	2.5
373.16464	2.5
376.15430	0.4
385.12790	1.4
400.15384	3.4
415.17590	11.1
416.18039	0.9
433.18741	2.2
445.14926	1.1
460.17374	5.7
461.17764	0.5
474.27567	0.3
475.19690	31.2
476.19693	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36559	2.5
52.48091	2.2
54.29351	2.1
57.03434	4.7
59.01369	9.6
61.98826	5.7
69.03450	2.1
69.12253	15.0
78.95899	56.6
81.03448	4.0
83.01381	7.7
83.05027	4.8
95.86895	2.0
97.06586	5.9
109.06586	3.1
110.98521	34.0
121.02974	2.2
123.04549	6.4
123.08192	3.2
125.09701	17.7
134.01463	2.3
135.08141	3.1
137.09735	5.0
150.58041	2.1
151.11311	3.2
163.11284	7.7
164.83623	5.6
167.01134	35.0
179.75623	2.2
181.12383	5.4
185.02182	11.4
185.11832	10.1
191.10678	2.9
191.14389	8.3
207.10226	7.6
209.11815	39.8
211.13457	2.9
215.29321	2.4
225.11334	3.9
245.19078	19.1
271.05750	2.9
289.18112	53.5
307.19116	33.2
308.19473	3.4
389.23297	2.8
475.20947	100.0
476.20972	5.1
476.26770	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.9
75.89083	5.1
83.79652	5.8
91.71825	6.7
97.06602	5.8
109.06605	9.1
110.00100	10.7
125.06095	10.7
137.02438	8.9
139.00356	14.4
141.01720	14.1
145.02985	6.7
146.03711	14.1
149.02501	8.9
150.03175	8.0
151.03976	12.4
153.01950	28.6
158.03818	9.2
159.04524	11.4
161.02466	10.6
162.03198	6.1
162.83923	24.7
163.04007	14.4
164.83568	27.5
165.01843	7.7
171.10205	6.8
174.03221	10.5
175.04045	14.3
177.01961	15.4
179.03505	12.6
187.03989	9.7
188.04788	11.4
189.05524	8.4
190.02849	5.9
190.06313	5.8
191.03522	21.3
192.04176	6.3
201.05580	11.6
205.05148	14.3
215.07188	8.5
219.06602	12.3
245.15747	5.5
245.19333	5.5
257.12033	6.9
258.12576	10.2
263.88959	6.2
285.11319	24.3
287.09268	7.1
287.12869	16.6
289.14362	5.6
289.17993	7.4
291.12360	11.9
295.08774	8.5
299.58624	6.9
300.13675	23.1
300.19296	6.3
301.10742	7.0
301.14499	7.3
302.11621	11.0
303.08737	6.3
303.12338	14.1
308.12805	9.0
310.68048	8.0
311.22244	22.4
315.16068	15.7
317.13794	29.6
318.10883	8.1
319.11920	30.6
319.15219	6.6
331.12027	14.3
331.15570	9.5
333.13449	14.9
333.20294	7.6
334.14233	36.0
346.14343	8.0
349.16489	47.4
358.10797	6.3
366.84335	6.0
393.21866	28.0
396.15903	8.0
411.18298	8.3
425.19492	18.4
427.17499	13.2
431.31732	7.7
437.07925	9.4
438.08463	7.3
439.08447	16.4
442.20117	76.9
443.20529	28.7
457.22144	66.5
460.21103	24.5
475.23541	100.0
475.29852	9.2
476.24051	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.76616	0.7
65.07972	0.5
69.68449	1.8
71.01377	13.4
73.02937	2.8
83.01387	1.7
85.02948	4.9
89.02438	16.9
94.77671	0.6
95.01363	0.8
99.00886	1.2
101.02444	11.0
113.02438	9.8
119.03497	8.1
131.03520	1.1
139.03593	0.5
143.03531	1.9
159.02972	1.1
161.04535	7.7
179.05615	5.6
187.89024	0.6
209.49593	0.5
222.85725	0.6
303.14557	0.8
415.23380	10.3
416.29639	0.6
433.24585	0.7
480.11453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01379	100.0
60.01711	0.7
61.98845	1.3
69.28986	1.9
71.01382	20.7
72.99320	0.4
73.02953	1.2
74.36127	0.4
82.48991	0.3
83.01389	0.4
85.02950	2.4
87.00892	0.8
89.02445	32.2
95.01411	1.0
96.96000	0.5
101.02446	10.5
101.03095	0.6
102.78995	0.3
113.02455	8.9
119.03504	13.7
131.03500	1.6
134.03761	0.7
143.03537	3.7
149.04582	1.7
160.01678	1.8
161.04564	4.7
175.03995	1.6
179.05624	14.0
323.52618	0.4
415.23184	1.9
475.15945	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68015	0.3
55.01878	0.8
55.08906	0.3
57.03440	2.2
59.01379	100.0
60.01719	0.8
69.03476	0.6
69.46314	0.8
69.46727	0.5
71.01382	17.0
71.65285	0.3
73.02946	17.9
75.00883	0.3
75.56876	0.3
83.01386	3.8
85.02949	7.7
85.03461	0.4
87.00896	0.9
89.02445	5.4
95.01385	1.6
97.02940	0.5
98.21827	0.5
99.00902	1.3
99.04546	0.9
101.02444	14.6
113.02448	13.1
119.03494	2.6
125.02464	1.8
126.59208	0.3
131.03606	0.7
143.03496	2.1
147.11800	0.6
149.04572	1.1
159.03067	1.0
161.04553	10.9
161.05806	0.7
179.05632	0.8
235.17197	0.5
271.19101	1.6
397.22003	0.4
406.24591	0.3
410.82224	0.3
415.23358	27.5
416.23672	2.0
433.24371	5.0
433.29416	0.4
475.26300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45650	0.8
55.52719	0.7
57.03461	1.1
58.00595	0.8
59.01381	100.0
60.01709	1.0
61.98836	1.5
64.57130	0.7
69.34924	2.8
71.01380	20.9
73.02956	2.2
76.48298	0.7
83.01418	1.6
85.02952	5.4
87.00884	1.3
89.02449	31.0
95.01420	1.9
99.00917	1.3
101.02443	15.4
113.02448	11.7
119.03506	16.0
120.24979	0.7
131.03493	1.7
143.03503	3.9
149.04619	1.6
161.04582	6.2
179.05635	10.0
229.99811	0.8
415.23367	16.2
416.23785	1.2
433.24612	0.9
447.43665	0.8
474.71130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01694	1.1
61.98838	1.2
69.32038	3.3
69.65198	0.7
71.01382	14.3
71.87725	0.9
73.02943	7.1
83.01398	2.2
85.02963	4.0
87.00880	1.6
88.98859	0.9
89.02448	14.2
89.03001	0.8
93.14520	0.7
95.01439	0.8
98.21857	1.4
98.94094	0.7
99.04533	1.1
101.02444	10.8
103.01515	2.0
113.02441	9.4
119.03518	8.3
125.02448	1.0
131.03511	1.3
143.03539	2.3
149.04605	1.7
161.04556	7.1
174.04507	0.7
179.05618	6.5
209.99492	0.8
253.17990	1.2
271.19293	0.9
295.66788	0.8
307.89374	0.7
337.21933	0.7
357.13409	1.2
415.23373	12.6
416.24011	0.8
433.24802	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27346	0.4
55.01855	0.7
57.03436	0.7
58.00588	0.5
59.01377	100.0
60.01713	0.5
61.98843	0.6
69.03468	1.3
69.13672	0.9
69.14072	1.8
71.01379	23.7
72.12104	0.4
73.02943	49.3
74.03283	0.5
75.00873	0.8
81.03467	0.7
83.01388	10.3
83.16251	0.4
85.02942	4.8
87.00893	0.5
87.04543	0.4
88.98800	0.6
89.02448	9.6
90.45878	0.4
95.01395	1.8
97.02969	0.5
99.00889	1.1
101.02441	34.9
102.02776	0.7
113.02447	19.0
119.03497	4.5
121.51424	0.4
125.02420	0.9
129.01863	0.4
131.03490	4.1
143.03494	4.1
149.04567	3.8
155.03587	1.2
161.04559	10.1
161.05859	0.7
179.05667	1.4
184.43942	0.4
203.05699	0.9
205.92833	0.4
216.64996	0.4
221.06758	0.7
249.06146	0.4
271.19061	0.5
415.23303	0.5
433.24490	1.1
439.21954	2.2
475.13187	0.7
475.19772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	1.6
70.23544	0.7
70.23859	1.2
71.01384	22.1
83.01371	0.7
85.02966	2.8
87.00889	1.7
89.02445	33.9
95.01361	1.2
101.02449	10.7
113.02450	10.5
119.03502	14.8
119.04312	0.9
131.03539	1.1
143.03513	2.7
148.06245	0.6
149.04570	1.7
161.04561	5.2
179.05617	16.0
255.19742	2.4
350.50601	0.6
403.21988	0.7
415.23309	1.5
439.19708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45908	3.4
55.08635	3.3
62.08862	2.8
78.95896	10.6
110.98504	7.7
139.31160	3.2
156.68040	2.9
160.22868	3.1
167.01202	6.2
307.23007	6.4
307.26431	100.0
308.26709	5.2
475.28641	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52868	8.7
51.62240	10.8
57.68204	10.0
59.01376	64.1
61.98825	40.4
69.25494	61.5
78.95898	100.0
86.58649	11.2
97.56010	9.1
98.21795	13.1
98.48936	10.5
141.01675	22.7
144.07733	11.5
162.83916	81.1
163.83871	13.8
164.83615	43.6
171.00648	16.6
205.13478	10.6
229.00909	10.0
311.22266	23.8
393.22131	13.9
437.09186	17.1
438.09039	18.7
439.08844	33.7
440.08868	16.5
475.25983	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35572	19.6
56.40020	18.8
61.98829	52.0
64.04082	15.8
68.33282	20.8
69.42988	32.0
69.43372	58.2
78.95912	44.2
109.56819	17.1
110.33247	18.3
164.58513	16.9
279.23264	100.0
332.36334	19.4
341.61807	20.0
475.24298	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06322	5.2
58.41760	5.0
59.01375	14.8
61.98813	9.7
69.43230	16.9
69.43638	12.1
72.80501	5.4
84.10547	5.6
89.02467	8.2
93.06125	5.8
100.76701	5.9
151.03973	6.4
155.14581	5.8
162.83897	7.8
185.15395	5.9
189.57031	5.3
276.75409	6.1
324.56235	6.0
337.53680	5.7
442.19849	8.9
475.23663	12.1
475.36362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98831	100.0
69.30573	1.7
71.01386	0.6
75.93184	0.3
85.02979	0.4
90.06508	0.4
96.96046	0.6
98.21912	0.9
99.00872	0.4
99.92600	1.2
100.46674	0.4
100.93390	0.8
115.92074	1.9
116.92861	13.0
152.96400	0.5
161.10129	1.3
235.17184	0.5
247.99097	0.4
248.13402	1.0
287.84299	0.5
391.10654	0.5
413.21924	2.4
477.10953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
59.01378	100.0
60.01707	7.0
61.98832	8.1
71.01379	40.5
71.01775	1.8
71.43748	1.7
73.02960	8.0
83.01370	2.3
85.02943	10.5
86.03268	1.6
87.00876	4.3
87.04494	1.9
89.02444	56.9
95.01379	4.1
99.00877	2.2
101.02441	27.1
103.01881	1.5
107.70448	1.7
113.02441	25.7
114.02769	3.3
119.03493	19.4
120.01208	2.1
131.03516	3.8
143.03493	7.5
149.04558	2.9
161.04509	12.1
179.05603	29.0
224.80557	1.6
283.90076	1.7
336.18723	1.5
416.23672	15.5
433.24280	5.6
434.24753	3.4
439.35757	1.9
476.20929	2.8
477.19257	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64022	1.2
55.01859	1.1
57.03435	1.6
59.01380	100.0
60.01720	6.8
61.98833	16.6
69.05084	7.4
71.01015	2.2
71.01389	36.6
72.01718	1.7
73.02943	14.0
74.03286	1.3
79.10730	1.1
82.95389	1.7
83.01399	3.4
83.15722	1.2
84.01727	1.1
85.02945	9.3
86.03323	1.1
87.00868	3.3
87.04509	2.3
89.01923	2.4
89.02451	34.7
90.02814	1.3
95.01385	2.4
98.21877	2.7
99.00868	1.4
99.04530	2.2
101.02449	24.6
102.02788	1.6
113.02451	16.9
114.02785	1.9
119.02734	2.1
119.03513	18.4
137.02414	2.4
143.03510	4.5
149.04544	1.8
161.04555	10.4
167.73534	1.2
179.05629	21.7
183.10182	1.4
197.11755	2.4
255.67349	1.3
279.90463	1.5
279.98563	1.4
352.24466	1.3
416.23743	3.4
433.24423	29.4
434.24976	6.5
476.25320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
62.96395	0.4
71.06160	0.4
76.74422	0.3
78.95902	46.6
80.79243	0.4
96.96963	1.6
118.59148	0.3
122.00145	0.7
134.98534	0.4
140.01192	5.4
152.99582	6.0
160.79413	0.4
171.00656	5.6
196.03799	11.2
214.04854	2.6
279.23282	100.0
280.23615	5.7
300.84897	0.4
402.24075	0.5
476.27786	51.0
477.28104	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50010	0.3
62.96403	0.4
69.87108	0.3
70.12030	0.5
78.95902	100.0
86.41576	0.2
91.67169	0.3
96.96958	7.8
152.99582	17.1
171.00636	18.7
214.04834	0.3
277.81381	0.2
279.23221	1.3
299.08484	0.3
348.79706	0.3
402.24072	2.2
476.27789	51.5
477.28125	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
69.34843	1.0
69.35179	0.3
71.01400	0.3
81.63997	0.2
83.01389	0.4
89.02455	0.2
98.22679	0.2
99.29757	0.2
107.01391	0.7
108.02175	0.2
114.52882	0.2
125.02478	0.3
135.00911	0.3
140.97493	0.3
143.05008	0.3
149.02429	0.2
150.90533	0.2
151.00363	2.5
157.03049	0.2
164.01144	0.3
169.01434	0.3
171.04520	0.7
178.99867	0.6
187.03990	0.6
197.02428	0.4
197.11803	1.3
198.03003	0.3
199.04004	3.5
201.01859	1.2
203.03462	0.5
204.04240	0.5
215.03484	3.2
216.03845	0.2
225.01932	0.5
226.02713	0.6
227.03520	3.5
229.01407	0.7
241.99748	0.4
242.02187	7.7
243.02960	38.5
244.03372	1.3
255.02959	0.6
255.29250	0.2
257.04535	10.9
258.04764	0.4
269.98724	0.4
270.01678	10.3
271.02466	37.8
272.02887	1.5
284.03403	0.3
285.04028	19.5
286.04785	6.0
287.05249	0.5
299.01971	7.2
299.99252	0.3
300.02698	5.3
301.03204	0.2
314.04312	42.0
315.04993	8.0
316.05344	0.4
357.05908	1.3
458.76752	0.2
477.10355	100.0
478.10733	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70580	0.3
59.01384	2.3
65.00345	0.4
67.38233	0.3
69.37239	0.3
69.97095	0.7
69.97424	0.4
73.02969	0.3
76.06297	0.3
107.01382	1.1
124.93755	0.3
125.02416	0.7
133.03017	0.4
151.00362	3.1
153.01898	0.4
159.04573	0.3
169.01428	0.3
171.04532	0.7
173.02382	0.3
178.97658	0.3
178.99826	0.5
187.04085	0.4
197.02531	0.4
199.03989	5.0
201.02002	1.7
203.03500	0.9
215.03494	4.1
225.02000	0.6
226.02759	0.7
227.03496	5.0
229.01378	1.1
241.99698	0.4
242.02191	10.4
243.02965	44.0
244.03357	1.5
253.51212	0.3
255.03033	1.0
257.04544	12.6
258.04941	0.7
270.01697	13.1
271.02466	42.9
272.02847	1.5
285.04044	24.1
286.04779	7.5
299.01950	7.9
300.02673	4.8
314.04312	44.9
314.99094	0.4
315.04996	7.9
316.05594	0.5
329.00403	0.3
357.06171	1.2
368.43707	0.3
416.23990	0.3
477.10367	100.0
478.10745	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98827	0.7
65.00329	0.4
65.96120	0.3
66.34869	0.3
71.01373	0.5
71.43420	0.4
78.95901	3.7
79.95729	0.6
80.96530	0.3
82.13178	0.2
96.95992	0.7
97.02946	0.7
110.98507	2.7
111.08159	0.6
123.00835	0.3
124.01656	3.1
125.06085	3.0
125.09757	0.4
139.04021	1.2
149.99661	0.3
152.01146	19.6
162.06836	0.4
164.07143	0.6
165.01926	1.0
165.12927	0.4
166.02754	0.4
167.01108	2.8
169.43350	0.3
171.10286	0.6
179.03474	0.4
180.04257	0.8
185.02159	0.4
190.06349	0.6
191.07057	0.3
193.05125	0.4
195.11931	0.3
197.11842	2.2
198.84978	0.3
204.61197	0.3
205.08690	2.3
208.07394	11.6
209.07965	0.4
211.13307	0.7
223.09744	100.0
224.10094	3.3
225.14940	1.2
247.20674	0.4
253.00206	3.4
261.12372	0.3
271.02692	0.4
291.19666	2.6
308.27261	0.3
309.20679	4.8
314.04364	0.5
346.91547	0.4
378.18124	0.3
476.29843	1.3
477.11151	3.1
477.22534	9.9
477.29355	0.9
479.89362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64664	0.3
59.01380	2.9
61.98832	4.3
62.22714	0.3
71.01379	0.8
72.99306	0.4
75.00849	0.4
84.93873	0.8
85.02965	0.8
96.95999	0.7
98.21872	0.7
99.00877	1.0
99.92580	10.1
100.93365	8.1
101.02438	0.4
103.00359	0.4
109.02963	0.3
113.78203	0.4
115.01281	0.3
115.92077	14.6
116.92861	100.0
117.92868	3.2
133.02922	0.4
140.92871	0.4
142.94423	0.9
143.95514	0.4
147.04631	0.3
148.01617	0.4
152.99638	0.4
156.92444	0.4
169.93198	0.3
184.91840	1.1
186.93420	0.4
229.15828	0.4
244.51848	0.3
264.00415	0.3
285.66406	0.3
301.75110	0.3
355.08521	0.8
373.09637	3.2
391.10663	2.6
403.10626	0.7
415.10681	1.6
433.11786	4.7
441.08499	1.0
477.10718	12.1
477.29199	0.6
478.10907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22331	0.7
56.26855	0.7
59.01385	8.4
60.99009	1.2
60.99305	16.6
61.98812	2.2
69.22072	4.0
71.01385	3.6
73.02937	1.6
74.25319	0.7
75.00881	3.3
82.38821	0.8
84.65101	0.7
85.02950	1.0
87.00858	0.7
87.81199	0.7
88.98807	100.0
89.02440	6.0
89.63380	0.7
89.99197	0.8
96.95998	1.0
101.02450	3.0
113.02454	1.1
116.92923	1.0
135.97491	0.7
137.59196	0.8
147.06699	1.0
147.83963	0.7
148.90924	0.9
163.37436	0.7
174.10718	0.7
181.05139	0.9
196.03220	0.7
258.18640	0.8
387.16669	8.6
401.14490	1.2
440.56339	0.7
441.08759	1.6
477.06216	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03438	0.4
59.01381	4.1
60.01718	0.2
61.98823	1.2
63.02387	0.4
65.00327	0.4
69.03437	0.8
71.01376	2.1
71.05016	0.5
71.43977	0.3
72.99281	0.2
73.02938	0.5
83.01366	0.8
83.12100	0.2
85.02940	0.8
87.00877	0.3
89.02430	1.0
97.69360	0.2
99.00825	0.2
101.02436	1.6
102.16142	0.2
107.01376	0.9
108.02198	0.4
109.02936	0.3
113.02435	0.8
115.28011	0.2
117.80956	0.2
119.03490	0.3
125.02440	0.5
125.09664	0.5
135.00809	0.3
147.04610	0.5
148.01656	0.3
149.02330	0.4
151.00356	2.8
151.11269	0.3
153.01944	0.4
153.12849	0.6
155.04953	0.3
157.02986	0.3
161.04552	0.4
161.09694	0.4
163.00328	0.2
164.01122	0.4
165.01909	0.4
169.01414	0.2
171.04523	0.8
175.04007	0.6
178.99883	0.4
179.10748	1.6
181.05057	0.2
183.04620	0.3
187.04053	0.7
189.01874	0.3
197.02464	0.5
197.11821	24.5
198.12172	0.8
199.03978	4.8
200.04498	0.4
201.01901	1.3
203.03452	0.8
204.04230	0.5
213.10326	0.2
215.03499	4.0
216.04163	0.4
223.09836	0.4
225.01941	0.9
226.02673	1.1
227.03477	5.2
228.03914	0.3
229.01390	0.9
236.20499	0.2
241.01503	0.3
241.10793	2.8
242.02197	11.9
243.02959	50.2
244.03271	2.3
253.09189	0.6
255.02960	0.8
257.04556	13.3
258.04996	0.7
269.00903	0.2
270.01691	13.1
271.02463	49.9
272.02808	2.6
283.02451	0.3
285.04037	26.7
286.04745	7.6
287.05316	0.5
299.01959	10.1
300.02710	6.7
301.03091	0.5
313.03619	0.3
314.04306	57.0
315.04950	11.4
316.05408	0.5
329.06598	0.2
357.06335	1.0
449.10901	0.3
477.10406	100.0
477.19717	23.9
478.10736	7.9
478.20099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01377	100.0
60.99299	2.0
61.98829	6.4
69.03448	5.3
69.82776	3.1
71.01380	55.8
72.99295	2.1
73.02946	9.2
75.00858	2.7
81.03462	2.2
83.01394	4.8
85.02960	8.3
87.00874	2.6
87.88389	1.1
88.98793	12.8
89.02443	64.4
95.01380	1.4
96.96020	3.1
97.02943	8.5
98.22274	3.1
99.00876	14.1
99.92614	1.3
101.02437	15.4
111.00868	1.2
113.02455	8.7
115.04014	6.1
116.92908	1.6
118.55580	1.1
119.03494	3.5
119.97915	1.2
120.01241	4.2
121.02933	5.4
125.02438	30.0
126.02851	1.1
128.03592	1.2
131.03499	7.7
133.05101	1.6
137.99626	1.4
143.03502	3.0
149.04576	9.6
153.01935	24.1
157.05084	1.1
159.02974	1.1
161.04559	11.6
166.06354	37.1
167.06718	1.4
168.04308	15.4
172.20871	1.0
181.08696	51.8
182.08990	1.9
183.06563	2.6
183.09134	1.3
191.05641	7.8
196.10786	1.1
198.27473	1.1
219.10144	1.2
221.49812	1.1
230.04732	1.3
233.06654	23.3
235.08203	8.0
258.35403	1.1
293.08786	25.8
417.17514	4.8
417.22168	1.6
459.19025	1.9
477.19989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51644	2.4
56.80352	2.2
56.82265	2.6
59.01363	4.9
61.98820	4.9
70.87142	2.3
70.98823	2.8
73.41577	2.4
73.69329	2.6
78.95901	18.8
79.12270	2.4
83.05052	5.7
99.00881	5.2
108.02218	6.3
109.02995	4.7
110.00092	5.4
110.98558	10.4
111.08206	3.8
121.02901	6.0
122.00130	3.0
122.03753	3.5
123.00886	23.2
123.04552	3.6
124.01699	8.9
125.02426	3.5
125.09736	3.6
130.04240	3.2
134.03778	3.0
136.01668	5.9
137.02478	14.4
137.09737	7.6
137.99681	3.1
138.03239	10.3
139.00403	9.9
140.01184	3.1
141.09288	9.7
143.07254	4.4
145.03014	8.2
146.03772	7.0
147.04610	4.8
149.02509	7.9
150.03258	6.6
151.04048	6.6
151.11322	3.7
153.01918	47.5
155.03499	3.3
155.10802	5.2
158.03793	12.1
159.04581	7.0
160.05371	9.0
161.02490	10.5
162.03267	7.1
163.04053	9.3
164.04854	6.7
165.01952	4.0
165.05647	4.0
165.12897	3.0
167.01231	10.9
168.04327	5.1
171.10301	8.0
172.05321	4.0
173.02518	3.1
173.06056	5.8
174.03273	7.2
175.04030	14.7
177.05591	4.6
181.03046	3.0
181.68835	2.8
185.02217	6.0
185.06100	3.1
187.04028	6.3
188.04796	3.6
189.05627	5.4
190.06485	4.0
193.05020	3.0
193.12376	3.3
201.05652	4.7
203.07175	5.4
209.11905	13.2
217.12430	7.5
225.12994	3.2
232.11053	5.0
233.11742	5.1
245.11786	3.5
259.13629	5.8
261.11307	13.1
270.12457	14.4
271.13443	6.6
273.11624	3.3
278.11771	10.0
279.12448	4.2
285.11426	5.0
285.14838	6.1
287.09766	6.4
287.12885	29.3
288.10071	4.8
289.11246	5.0
289.14371	23.1
291.12424	7.2
291.16266	4.5
291.19571	22.6
293.13864	29.9
297.11404	2.8
301.11301	4.3
301.14557	6.0
303.12384	21.2
303.15729	3.7
304.13177	4.8
309.13403	3.8
309.20679	50.5
315.12570	7.3
316.13190	5.8
317.13907	7.5
319.15524	20.9
321.13522	6.5
323.15067	3.8
331.11981	9.2
335.15164	3.2
336.15866	6.8
343.12289	3.7
344.98499	2.8
347.14990	3.9
349.16653	4.0
372.28323	3.1
395.18509	16.8
399.21780	6.3
412.18921	54.0
413.19666	51.1
427.21246	53.5
428.21832	3.9
430.19904	22.9
444.21747	5.3
445.22281	67.4
445.27942	3.8
446.22577	3.6
452.17761	3.1
459.23837	13.3
462.22800	3.4
477.10565	5.1
477.24811	100.0
478.25525	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.9
60.36208	1.8
61.98811	4.1
64.88060	1.8
69.39092	3.9
69.39480	4.2
71.01408	2.0
78.95916	9.4
81.03470	2.5
83.05045	3.1
95.01416	4.0
95.05056	2.4
97.06622	2.9
98.03759	2.4
99.00900	6.1
105.98036	1.7
108.02206	9.1
109.02975	2.9
109.06589	2.6
110.00101	5.7
110.98557	8.0
111.00888	4.4
111.08155	3.1
113.24834	1.7
121.02975	9.0
122.03765	4.7
123.00883	21.9
123.04557	5.5
124.01644	9.2
125.02457	5.3
125.06119	1.7
125.09762	3.0
130.04256	4.2
134.03732	1.8
135.04547	2.6
136.01727	5.8
136.05319	1.7
137.02451	13.2
137.09746	4.1
137.85783	1.9
137.99611	3.6
138.03261	12.6
139.00383	11.7
139.11305	3.3
140.01189	5.3
141.09251	8.6
143.07164	5.4
145.03006	7.3
146.03770	5.4
147.04532	4.1
149.02444	12.5
149.06136	2.3
150.03300	7.5
151.04018	10.6
151.07683	2.5
153.01933	45.3
153.03102	3.4
153.09279	2.5
154.02753	5.0
155.10762	2.4
158.03738	10.7
159.04547	9.6
160.05307	9.3
161.02422	9.6
161.06155	2.3
162.03279	3.3
162.10611	2.0
163.03995	11.4
164.04803	6.3
165.01984	4.7
165.05595	7.6
165.12834	3.5
166.83426	2.2
167.01210	4.2
168.04314	4.1
171.04568	3.1
171.10295	2.2
172.05292	4.5
173.02425	3.9
173.06131	3.8
174.03259	9.8
175.04013	19.8
176.04805	4.1
177.01985	2.0
177.05609	6.9
179.03583	3.9
179.07225	1.9
181.12393	2.7
185.02348	2.2
185.06140	4.1
187.04068	4.1
188.04816	3.6
189.05623	8.0
189.12912	2.0
190.02757	2.9
192.04364	2.3
193.05090	4.1
193.44649	2.3
199.07692	2.2
201.05630	6.5
202.02762	2.4
203.07169	4.6
209.11850	10.4
211.13533	2.6
213.17184	2.1
215.10741	4.5
217.12372	11.5
225.12831	2.3
231.10315	2.1
232.11064	6.8
233.11928	5.8
241.14526	3.3
243.10173	2.3
243.13907	3.3
245.11867	2.7
247.09871	2.1
247.13339	3.3
259.13336	4.9
260.14243	2.1
261.11353	12.0
269.11984	5.1
270.12677	10.9
271.13327	8.8
273.11591	2.7
275.09583	2.4
275.12985	3.6
277.10876	3.2
277.14401	2.8
278.11703	6.7
279.12473	3.5
285.11456	5.9
285.15073	5.5
287.09665	3.5
287.12848	36.2
288.13519	2.8
289.11084	3.9
289.14438	29.0
290.11819	2.5
291.12442	10.3
291.19614	18.5
293.10632	3.6
293.13937	39.4
293.17096	3.0
297.11459	2.5
299.13062	2.7
301.14612	5.2
303.12451	23.0
303.15796	4.3
304.13165	5.1
305.13889	2.8
307.11911	3.1
308.12787	6.8
309.13611	4.2
309.20712	36.5
310.21185	3.2
314.11847	2.4
315.12531	4.6
316.13367	4.2
317.14029	9.3
318.14514	2.5
319.15494	18.6
320.12711	3.8
320.16095	2.3
321.13504	7.7
321.16983	2.7
323.15005	5.5
323.22543	3.5
329.14008	2.7
331.12000	8.1
336.15842	6.9
343.11810	3.3
346.14182	3.7
347.14938	3.1
351.18869	3.0
361.03040	1.9
361.13263	2.9
371.22214	3.4
377.17831	3.3
395.18652	19.1
399.21927	4.7
409.19949	2.9
412.18835	60.9
412.24091	3.5
413.19690	49.6
414.20422	4.9
427.21198	57.4
427.26642	4.2
428.21683	4.6
430.20004	25.9
432.23297	2.3
444.21646	7.6
445.22311	75.7
446.22827	5.5
459.24066	15.4
462.22534	4.9
477.24927	100.0
478.24921	9.3
490.99417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01445	0.9
55.01866	2.1
57.03435	1.4
59.01379	100.0
60.01716	1.2
60.37652	1.0
61.98831	30.0
67.59849	0.9
70.24962	0.9
71.01383	25.5
72.99299	2.0
73.02941	7.2
75.00877	1.7
83.01390	2.2
85.02948	10.1
89.02445	18.2
93.03503	1.2
95.01354	1.7
98.22614	3.6
99.00897	3.1
101.02436	22.7
105.01972	1.2
113.02457	11.7
119.03498	7.5
125.02390	1.2
129.01909	1.1
136.31572	1.0
143.03531	2.6
159.02998	1.6
161.04550	17.3
179.05640	6.4
187.04102	1.0
209.11800	2.4
231.10017	1.6
242.62811	1.0
249.09906	4.5
255.15996	2.8
255.19563	2.1
267.07150	2.4
315.17966	2.2
371.15259	1.2
402.40533	1.1
417.24994	35.1
418.25433	2.2
459.22845	1.1
477.10764	2.2
477.17838	1.7
477.23483	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03450	1.3
58.24495	0.4
59.01379	100.0
60.01702	0.6
61.98827	3.8
69.03438	0.4
69.29493	2.0
71.01382	35.2
72.99316	0.9
73.02946	8.3
75.00909	0.7
81.39224	0.4
83.01392	3.8
85.02948	12.4
87.00881	1.8
87.04520	0.9
89.02441	19.6
95.01382	2.3
97.02972	0.5
99.00883	2.6
101.02445	26.5
101.67694	0.4
110.16743	0.4
113.02441	15.2
119.03504	8.8
125.02477	1.1
129.02023	0.5
131.03479	1.2
143.03525	3.1
149.04575	0.7
159.02968	2.8
161.04559	23.0
179.05618	7.0
243.02934	0.4
255.19719	2.0
271.02377	0.4
298.00793	0.6
407.87164	0.4
417.24927	58.5
418.25183	4.1
477.10342	0.9
477.27322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.2
61.01798	1.0
61.98827	17.8
69.16991	0.7
70.02342	0.6
70.41994	0.8
70.42347	0.9
71.01377	16.4
73.02949	4.0
82.60508	0.7
83.01385	1.4
85.02954	4.8
87.00886	2.2
89.02441	11.3
91.52282	0.7
95.01368	1.7
97.02924	0.9
98.17827	0.6
99.00891	1.8
101.02438	13.3
102.04510	0.7
113.02460	7.8
119.03481	6.1
131.03479	0.8
132.76558	0.6
139.67252	0.7
143.03526	1.9
149.04477	0.9
151.24530	0.6
159.03011	1.4
161.04559	13.8
179.05591	3.2
205.38896	0.6
215.03491	0.7
227.03458	1.2
242.02240	2.3
243.02979	10.6
257.04544	1.8
268.28143	0.6
270.01617	1.8
271.02460	12.2
272.03101	0.7
285.04092	5.2
286.04651	2.0
299.01898	2.4
300.02899	1.0
314.04330	11.2
315.04947	2.7
317.49728	0.7
387.35657	0.6
417.24918	18.8
418.25226	1.3
431.65143	0.9
475.10001	0.7
477.10306	23.4
477.23923	1.4
478.10611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.03447	2.0
59.01377	100.0
61.98829	51.7
62.35673	1.2
63.28925	1.1
71.01379	41.1
71.43182	1.1
73.02937	10.2
83.01389	7.0
83.02637	1.1
83.62433	1.1
85.02947	16.2
87.00885	1.5
89.02438	24.8
95.01414	2.1
96.54446	1.2
96.80217	1.2
96.96055	1.5
98.39229	1.3
98.49809	1.3
99.00886	5.2
101.02439	28.5
110.99262	1.4
111.00916	2.2
113.02454	18.2
119.03512	6.6
122.19204	1.2
143.03522	3.2
146.66292	1.5
149.04613	2.7
159.02977	4.3
161.04550	26.3
170.75183	1.3
179.05635	3.3
183.10243	1.6
215.66179	1.2
243.03017	3.9
271.02499	3.5
285.04044	2.1
314.04309	4.8
371.14975	1.9
417.24915	65.7
418.25159	6.1
477.10538	8.2
477.23456	4.8
478.20963	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26525	4.0
61.58821	3.3
69.12405	23.2
78.95905	9.8
93.49960	3.7
98.21945	8.0
98.61483	3.2
109.66939	3.1
110.98532	7.2
151.59856	3.4
156.20006	4.3
167.01169	10.4
185.02225	4.3
309.27966	100.0
344.74753	4.2
477.29749	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87911	0.8
54.31944	0.8
61.59376	0.9
63.89729	1.1
64.35343	0.9
70.53616	1.9
78.20785	1.1
94.38159	0.9
97.99039	1.0
137.09744	10.4
155.10779	100.0
156.11079	3.3
171.10269	17.2
181.08720	2.8
199.07899	2.4
199.09767	46.9
200.10149	1.8
217.10797	73.5
218.11211	2.4
219.64528	1.0
277.21707	34.2
278.22073	2.2
281.24924	1.8
477.32068	26.4
477.38321	1.8
478.32767	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.8
61.98828	6.5
67.14372	0.5
71.01389	3.1
71.57391	0.5
72.99292	0.5
73.02934	0.8
73.84971	0.5
76.24946	0.5
85.02962	1.3
88.98824	1.1
89.02458	3.4
93.03458	0.7
99.00905	0.7
101.02452	2.1
109.06584	0.8
113.02454	1.7
120.01259	100.0
121.01599	1.0
125.02517	0.6
128.03540	0.6
128.98000	0.5
143.03526	0.6
145.03014	0.7
149.04611	0.7
161.04559	0.8
163.11324	0.9
171.10275	6.3
177.03532	0.6
179.05699	0.6
190.08784	1.1
191.05623	1.7
197.32156	0.5
201.11320	1.0
207.10310	1.3
211.04420	0.7
225.11320	4.7
253.09334	1.5
279.06351	0.5
279.29431	0.5
286.93152	0.6
363.24142	0.6
479.21417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38273	0.3
58.37568	0.2
59.01382	2.9
61.98829	100.0
67.73244	0.2
69.44518	0.5
69.44912	0.6
71.01389	1.6
72.99320	0.3
73.02951	0.5
74.02457	0.3
75.00890	0.2
77.62708	0.2
85.02960	1.0
88.98814	1.0
89.02451	1.7
99.00868	0.4
101.02465	0.8
113.02470	1.6
120.01275	0.6
125.02470	0.4
141.01961	0.6
149.04585	0.5
161.04572	0.3
171.10350	0.4
171.33815	0.3
177.03539	0.3
193.06728	0.3
197.09323	0.3
201.11287	0.3
206.52449	0.3
207.10231	0.3
215.12810	0.3
219.45656	0.3
225.11317	1.6
253.09274	0.4
274.48062	0.3
291.07327	0.8
404.91034	0.3
417.16928	0.4
418.16754	1.6
478.25171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84609	0.4
59.01377	7.3
60.01715	0.5
61.33289	0.4
61.98829	100.0
63.28307	0.4
63.88203	0.4
68.48632	0.4
69.02945	0.4
69.36069	1.4
69.36466	0.7
71.01385	3.0
73.02945	1.0
82.95415	1.1
84.59776	0.4
84.95119	0.8
85.02956	1.2
87.00904	0.6
87.87076	0.4
89.02438	2.6
96.22901	0.4
99.00884	1.1
101.02463	2.0
113.02458	1.3
116.38422	0.4
120.01181	0.6
136.17386	0.4
139.04103	0.6
149.04657	0.5
151.00368	0.7
161.04619	0.8
163.11340	0.5
166.02728	2.6
167.03424	0.5
171.10271	1.6
181.05069	3.5
181.12357	1.3
191.05641	0.6
192.61282	0.4
199.13457	1.3
207.10367	1.6
224.05348	0.5
225.11331	3.7
243.12363	2.3
297.03973	1.2
312.06461	1.3
327.08661	2.8
342.11038	3.7
357.13412	8.3
358.13757	0.6
375.14499	2.6
391.12167	0.9
405.15601	5.1
406.16180	0.5
417.15738	0.7
417.25082	0.5
418.24817	0.7
478.20734	3.2
479.21188	6.4
489.55188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98829	100.0
69.73039	0.9
71.01397	0.9
73.00694	0.2
74.87664	0.2
86.49950	0.3
89.02458	0.9
99.00895	0.5
101.02434	0.5
116.93004	0.2
125.02477	0.4
142.93146	0.2
146.03773	0.3
146.65334	0.3
150.28665	0.3
151.73433	0.2
165.05197	0.4
179.07196	0.8
180.07558	1.0
181.07573	0.4
185.02138	0.3
189.00912	0.3
191.05673	0.5
210.80847	0.2
248.50357	0.2
344.14517	0.3
470.03958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.4
61.98831	24.8
62.03072	1.9
69.20295	6.4
69.20702	6.5
71.01380	12.7
72.01693	2.6
72.99291	2.8
73.02969	6.1
85.02949	5.4
89.02432	7.2
92.77129	2.3
96.95998	2.9
97.02938	2.8
99.04555	2.5
101.02459	10.6
102.02772	2.8
113.02446	4.9
119.03505	3.8
123.04569	5.0
124.01634	4.7
124.04884	2.7
139.03983	5.7
141.05540	3.7
142.05916	2.6
151.00375	11.8
152.01202	2.8
152.04752	2.7
166.02684	36.6
167.03436	4.7
171.10252	22.5
175.03941	5.5
177.05553	2.3
178.06438	2.7
181.05072	39.3
189.05547	2.8
190.06232	3.8
193.05034	3.5
202.53232	2.3
205.08780	6.5
207.10242	2.3
225.11349	11.8
253.04947	3.1
253.09251	4.1
269.04593	6.9
284.06915	2.6
297.04114	14.2
312.06396	18.4
327.08688	41.8
342.11075	47.9
357.13440	100.0
358.13766	7.2
375.14520	26.6
405.15494	71.7
406.16315	3.4
417.15427	8.9
418.24524	3.3
435.26282	3.1
455.90564	2.6
478.20148	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08024	0.2
59.01376	1.5
59.87938	0.2
60.26395	0.2
61.98829	100.0
69.34649	0.4
69.35044	0.7
71.01379	0.3
87.82713	0.3
245.92001	0.2
283.20761	0.2
368.12943	0.3
448.51819	0.2
487.23874	0.3
489.73105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60031	0.2
56.42221	0.2
59.01371	0.7
61.98828	100.0
69.69922	0.7
71.01382	0.6
73.02957	0.2
82.20598	0.2
148.90669	0.2
172.27292	0.2
175.92381	0.2
353.79984	0.2
435.22849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.19981	0.3
58.62561	0.2
70.78059	0.3
75.30925	0.2
78.95902	100.0
96.96959	8.1
102.04716	0.3
140.01224	0.5
152.99593	18.1
171.00636	19.3
208.17229	0.3
214.04897	0.3
253.21770	0.4
404.25662	1.2
478.29364	58.5
479.29736	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10402	0.3
53.87846	0.3
58.93075	0.3
62.96415	0.6
69.22986	1.8
78.95901	100.0
80.55215	0.3
96.96961	8.7
106.18047	0.3
140.01202	0.5
150.98077	0.3
152.99586	18.3
159.82874	0.3
164.52922	0.3
171.00636	19.2
191.90527	0.3
215.95296	0.3
310.28973	0.3
382.58353	0.3
404.25806	1.4
478.29355	64.0
479.29819	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1959
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
51.33129	0.4
55.66736	0.4
59.01383	2.9
61.98819	1.3
71.01374	2.3
72.99276	0.4
75.00880	0.5
79.95740	17.5
80.96521	1.4
85.02949	0.9
87.00880	0.6
89.02469	0.6
95.95238	24.0
96.96015	60.7
101.02469	0.5
119.03502	0.5
122.97609	1.0
129.01903	0.5
131.03452	0.3
138.97096	1.2
150.97081	6.6
151.97855	6.0
159.53259	0.4
164.98602	0.5
165.61522	0.4
177.04042	4.1
194.99733	1.2
213.00720	1.4
222.99142	1.9
241.00227	5.3
256.99738	3.7
302.52408	0.4
479.19565	100.0
480.19907	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01364	1.0
58.68176	1.3
59.01379	9.8
61.98828	4.6
63.28654	1.3
67.30599	1.4
71.01382	1.8
71.43740	1.2
72.49104	1.0
78.95900	42.1
80.91683	1.8
96.67268	1.3
96.96009	8.3
110.78307	1.2
110.98521	22.7
121.02950	1.5
140.21783	1.1
152.99582	12.6
167.01117	14.4
185.02187	4.7
191.03563	2.5
207.17650	1.8
211.13319	1.2
223.09802	1.9
223.20621	2.5
249.18596	6.7
255.41278	1.4
267.19635	63.0
268.19962	4.3
275.16495	6.6
293.06650	3.3
293.17572	28.5
311.18649	23.6
342.63815	1.2
344.26276	1.3
443.09949	2.8
447.18362	2.1
479.20474	100.0
480.20532	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63595	0.5
55.01850	0.7
57.03426	0.8
58.85481	0.6
59.01382	15.0
61.98831	14.6
64.61706	0.4
69.89518	0.6
69.89830	0.9
71.01382	6.6
71.05019	1.2
73.02934	2.2
74.02457	0.8
75.00868	0.5
83.01404	1.0
83.43085	0.5
85.02936	3.0
87.00871	1.2
89.02448	5.4
96.95992	1.4
97.02968	2.4
97.06592	1.3
98.22549	0.6
99.00880	20.3
99.98463	0.5
101.02444	4.6
109.06631	0.9
110.03771	0.6
111.00873	0.9
113.02430	1.7
113.54370	0.6
119.03510	1.1
120.99611	1.8
123.04442	0.6
123.08144	0.8
125.09713	4.3
126.68459	0.5
128.92755	0.6
131.03476	1.8
149.02466	0.6
149.04532	1.0
155.10780	1.2
161.04517	0.7
163.11295	3.8
171.10269	7.8
181.12363	9.9
189.89937	0.5
190.02710	1.1
191.05609	1.3
197.11789	3.2
198.12283	1.3
199.09529	0.6
199.13498	6.8
205.05014	1.8
207.10255	21.8
225.11325	43.4
226.11575	1.8
226.52165	0.6
243.12360	36.1
244.12740	1.3
253.09245	2.6
299.01901	0.6
299.18549	1.5
317.16034	0.8
317.19611	0.7
328.57465	0.5
367.10049	0.8
461.19952	1.4
479.21173	100.0
480.21588	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30426	0.6
57.03437	0.9
59.01375	10.0
61.98845	1.0
69.14871	3.1
69.75947	0.6
71.01383	5.5
71.05002	1.8
73.02934	1.5
77.98535	0.6
83.01396	0.7
85.02945	1.8
88.04025	0.9
89.02440	2.4
97.02951	3.1
97.06592	1.4
99.00872	14.3
101.02456	3.9
109.06580	0.9
110.03692	1.0
113.02436	1.7
115.00330	1.4
123.08109	0.7
125.02390	0.6
125.09727	4.5
129.10379	0.6
132.03062	0.7
142.02742	0.7
151.00288	0.7
152.01088	0.8
153.12846	0.8
155.14407	1.0
157.43063	0.5
161.04562	1.1
163.11256	7.1
167.03456	0.9
171.10274	5.7
181.12350	15.2
182.12741	1.1
184.02675	0.6
186.12585	1.1
197.11929	0.7
199.13374	13.1
207.10248	27.2
208.10611	1.0
225.11320	47.0
226.11671	2.0
243.12355	31.1
244.12712	1.0
253.09288	2.7
270.01602	0.7
271.02466	1.5
272.03198	1.3
287.14972	1.5
298.00989	0.7
299.02127	2.8
315.18146	0.8
317.15921	0.9
333.19043	0.9
363.20148	1.0
364.18622	1.1
373.31189	0.7
461.20203	1.4
479.08221	5.6
479.21265	100.0
480.21579	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03449	0.8
59.01380	15.0
61.98829	5.4
69.52330	2.3
71.01387	9.3
71.05012	1.7
73.02927	2.4
82.18599	0.5
83.01389	1.0
85.02945	2.6
87.00832	0.8
89.02454	4.4
95.01394	1.0
96.95974	0.6
97.02933	2.4
97.06554	1.0
99.00886	9.9
101.02459	6.6
109.06590	1.0
110.03745	1.0
111.00938	0.7
113.02485	3.8
119.03484	2.4
121.13987	0.5
125.09711	3.2
127.11285	1.3
131.03459	0.5
135.08119	0.6
153.12811	0.8
161.04611	3.1
161.09796	0.6
163.11276	5.4
171.10310	3.1
181.12352	13.5
197.11794	0.9
199.13399	25.7
200.13702	0.6
207.10277	25.9
208.10570	0.7
225.11328	55.0
226.11641	1.7
243.12375	17.0
244.12746	0.6
253.09302	3.2
271.18973	0.6
317.16037	0.9
422.62521	0.5
433.24438	13.6
434.24988	1.1
461.20291	10.3
462.20789	0.7
479.21252	100.0
480.21466	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.45114	0.3
60.01730	0.6
61.98824	0.8
72.42678	0.3
79.95741	1.6
96.96041	1.1
98.21825	0.8
102.03925	0.2
116.92867	0.3
118.92693	0.4
120.66845	0.3
124.89408	0.3
125.28180	0.3
129.60190	0.3
132.09100	0.3
174.25195	0.3
192.34991	0.3
371.98669	0.3
479.19412	2.3
479.34222	0.4
480.19894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2417
Annotation	Vedelianin
Peak:m/z	Relative Intensity
53.41777	0.8
57.03450	1.0
59.01392	4.7
61.98827	3.3
68.20534	0.8
70.57377	1.6
71.05021	1.0
71.82497	0.9
73.02926	1.3
78.95905	38.7
97.02907	1.1
99.08161	2.8
109.02953	1.7
110.98531	26.9
111.08115	0.9
113.09719	3.4
127.11301	1.3
129.09192	4.7
137.00131	1.8
139.11287	5.5
162.83879	1.4
165.12857	1.2
167.01158	22.1
169.12384	2.2
171.10280	13.5
181.12358	2.9
183.13869	1.2
185.02164	9.3
185.11789	1.1
190.13609	1.0
193.12358	3.6
197.11835	12.7
199.13449	4.9
208.10793	0.9
211.13391	17.7
212.13780	1.1
217.00438	1.1
265.21762	1.4
275.20221	1.9
293.21246	21.0
299.20288	1.4
311.22296	100.0
312.22601	5.9
464.32703	1.0
479.24161	95.7
480.24423	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41424	3.0
57.03451	3.1
59.01363	4.9
61.98819	11.8
97.06599	3.9
99.00877	4.9
108.02161	4.0
121.02930	6.2
123.00854	15.3
123.04504	3.5
124.01659	6.0
125.02431	3.3
134.03848	3.0
136.01628	5.5
137.02419	8.6
138.03217	8.5
139.00334	9.5
139.11232	3.6
146.08197	3.3
147.04524	3.9
149.02431	10.0
150.03130	5.5
151.03975	10.2
153.01939	21.6
154.02711	4.3
158.03717	3.7
159.04521	9.3
160.05295	7.9
161.02422	6.5
162.03218	3.2
163.04048	9.3
164.04849	8.7
164.51086	3.1
165.05542	6.5
168.04378	3.7
171.04408	4.2
172.05251	4.7
172.90331	3.7
174.03218	7.7
175.03955	13.7
177.05518	4.5
185.06078	4.3
187.03908	4.6
190.85818	3.1
193.04941	5.3
201.05554	7.7
217.12317	10.6
233.11691	3.7
243.13774	4.5
251.36806	3.4
261.11322	9.3
270.12592	7.2
271.13342	7.7
278.11603	7.0
279.12378	5.7
285.15024	4.3
287.12909	18.3
289.11343	5.5
289.14435	26.4
293.13937	40.4
303.12512	6.2
304.13022	4.3
305.13632	3.5
307.11612	3.9
308.68817	4.3
311.22342	17.3
316.13074	6.9
317.14127	4.2
319.15448	25.9
321.13339	8.3
336.15784	8.2
351.18002	4.0
379.19016	4.8
392.77606	3.9
397.20172	19.4
414.20526	23.6
415.21323	39.0
429.22797	43.2
447.23834	52.3
448.24060	5.7
461.25208	6.5
464.24191	4.4
479.26459	100.0
480.26636	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92223	0.6
58.16439	0.6
59.00931	0.7
59.01073	0.9
59.01382	37.5
61.98832	100.0
69.14936	1.4
69.15352	2.6
71.01379	3.8
73.02939	1.3
83.01397	0.6
84.18162	0.6
85.02966	2.8
87.00909	1.0
89.02459	2.7
93.03490	2.3
95.01405	0.6
96.96021	1.2
98.21817	1.2
101.02464	2.9
113.02464	1.8
119.03484	1.0
120.99618	1.4
124.64841	0.5
131.03459	0.6
143.03499	0.7
147.06665	1.6
151.58594	0.5
161.04546	1.4
161.89085	0.6
171.10323	1.4
173.04547	1.5
191.05679	1.3
200.13789	0.9
243.12370	0.7
244.12720	0.8
331.17862	1.0
332.12738	0.7
373.18683	2.8
480.21793	2.4
481.16730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.2
61.98829	100.0
69.04794	3.7
71.01380	4.7
73.02953	1.9
75.59034	0.6
85.02949	2.9
89.02465	2.3
96.95992	0.8
98.22655	1.2
99.00889	1.7
101.02436	3.5
108.07483	0.6
111.00900	2.2
113.02454	1.7
113.62670	0.6
119.03530	1.4
132.53809	0.6
133.02969	1.8
154.06282	1.0
161.04558	1.3
167.03465	0.7
171.10277	1.2
172.10577	0.7
173.00935	1.4
173.04619	1.6
181.12419	1.0
182.12674	0.9
187.07736	0.7
191.05667	1.0
200.13823	0.8
207.10324	1.0
208.10573	1.2
225.11372	2.9
226.11577	3.3
232.44331	0.7
243.12425	0.9
244.12782	2.3
263.78827	0.6
331.17728	1.3
373.18777	1.6
462.20633	1.0
480.21347	9.1
481.21448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03456	2.3
59.01382	24.9
59.20941	1.3
61.98834	9.9
69.50095	4.0
71.01385	60.1
72.99303	2.3
73.02946	20.9
75.00874	2.8
75.20320	1.3
83.01395	6.4
85.02950	32.0
85.78334	1.3
87.00889	1.9
89.02444	16.0
93.03451	1.5
95.01381	4.8
96.96021	1.5
97.02932	2.8
98.21902	1.6
99.00872	8.5
101.02438	41.4
108.02193	1.3
108.71172	1.2
113.02448	23.2
115.92120	1.4
119.03528	1.7
120.01273	2.6
123.00838	1.3
125.02438	4.4
125.91525	1.6
126.40594	1.3
127.74269	1.2
129.01930	2.1
131.03552	2.9
143.03499	4.1
143.10794	5.2
149.04538	6.0
154.06197	2.2
159.02977	5.0
161.04547	26.4
173.04605	3.5
191.05609	3.6
233.06645	2.0
288.09589	4.0
293.08890	2.6
294.11923	4.9
305.16052	100.0
306.16513	3.0
318.10635	4.6
368.75229	1.4
437.20285	87.6
438.20810	6.3
481.13361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03456	2.3
59.01382	24.9
59.20941	1.3
61.98834	9.9
69.50095	4.0
71.01385	60.1
72.99303	2.3
73.02946	20.9
75.00874	2.8
75.20320	1.3
83.01395	6.4
85.02950	32.0
85.78334	1.3
87.00889	1.9
89.02444	16.0
93.03451	1.5
95.01381	4.8
96.96021	1.5
97.02932	2.8
98.21902	1.6
99.00872	8.5
101.02438	41.4
108.02193	1.3
108.71172	1.2
113.02448	23.2
115.92120	1.4
119.03528	1.7
120.01273	2.6
123.00838	1.3
125.02438	4.4
125.91525	1.6
126.40594	1.3
127.74269	1.2
129.01930	2.1
131.03552	2.9
143.03499	4.1
143.10794	5.2
149.04538	6.0
154.06197	2.2
159.02977	5.0
161.04547	26.4
173.04605	3.5
191.05609	3.6
233.06645	2.0
288.09589	4.0
293.08890	2.6
294.11923	4.9
305.16052	100.0
306.16513	3.0
318.10635	4.6
368.75229	1.4
437.20285	87.6
438.20810	6.3
481.13361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57241	0.5
61.98826	100.0
69.32925	2.1
84.70780	0.5
97.71120	0.5
98.11844	0.5
98.22577	1.0
154.38638	0.5
197.04623	0.5
260.74286	0.6
336.63931	0.5
354.66132	0.5
380.01608	0.5
480.29593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56736	0.2
56.06429	0.1
56.25053	0.2
59.01367	1.2
61.98827	100.0
69.33619	0.4
69.34033	0.6
71.01392	0.3
84.36523	0.2
85.02931	0.3
93.74254	0.2
98.21912	0.5
135.43509	0.2
158.24219	0.2
193.04546	0.2
200.42819	0.2
219.89503	0.2
334.11639	0.2
371.64444	0.2
391.96710	0.2
420.26169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98827	100.0
62.98542	0.1
64.27122	0.1
67.01884	0.1
69.33115	0.4
71.01392	0.2
75.00845	0.1
77.03912	0.1
78.54903	0.1
78.95930	0.2
85.02971	0.2
89.02492	0.1
93.03452	0.4
101.02452	0.2
111.00871	0.1
113.02441	0.1
133.02991	0.1
134.03725	0.1
137.02492	0.1
152.07140	0.1
152.99701	0.1
155.03622	0.1
173.00949	0.1
173.04550	1.3
174.44162	0.1
178.02721	0.1
258.08478	0.1
275.09497	0.1
322.64526	0.1
405.03760	0.1
420.25858	0.1
480.21640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98829	100.0
71.01398	0.2
85.02957	0.2
93.03478	0.3
112.33519	0.1
173.04518	0.8
248.89404	0.1
306.07581	0.2
427.90103	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.97060	1.5
78.95885	2.8
141.24435	0.9
152.99568	4.1
187.39066	0.9
202.09030	0.9
236.32201	0.9
253.21718	19.1
311.74802	1.0
325.79160	0.9
367.41855	0.8
417.26398	5.0
481.25607	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
59.01383	34.3
61.98832	17.1
71.01380	9.4
71.07198	1.7
72.85873	1.2
72.99311	1.8
73.02938	3.5
78.95908	2.9
82.95388	1.6
83.01415	1.9
85.02951	13.2
87.00868	3.8
89.02439	4.2
92.89853	1.3
93.03441	3.3
96.95998	2.4
98.95605	1.8
99.75962	1.2
101.02433	5.5
109.41348	1.6
111.00882	33.5
113.02434	4.3
115.75076	1.3
127.07679	1.5
129.01932	4.3
134.03741	3.8
143.03452	1.8
154.99861	6.6
161.02356	1.5
161.04550	2.3
171.06502	1.5
173.00945	11.0
173.04616	2.4
178.02728	1.7
179.03433	1.5
189.87714	1.3
221.65508	1.3
228.15375	1.4
268.03751	39.8
275.09137	3.8
277.18039	7.0
283.06128	100.0
284.06467	5.4
306.07428	2.1
307.11969	1.6
384.10309	1.5
421.22321	4.1
439.23633	1.9
481.20987	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03444	0.7
59.01383	11.2
61.98834	8.0
71.01383	10.8
71.21127	0.4
73.02950	4.9
75.00854	0.7
79.95740	3.7
80.96509	1.5
83.01371	1.3
85.02952	5.5
85.06588	0.9
87.00883	0.7
89.02442	4.3
93.03459	1.0
95.01377	0.7
95.95227	1.6
96.96014	61.4
97.02978	0.5
99.00880	3.5
101.02444	8.3
111.00867	0.6
113.02438	4.9
116.92865	0.6
119.05016	0.7
122.97567	1.0
124.04852	0.4
125.02468	1.0
129.01933	0.5
131.03542	0.9
131.07144	4.5
138.97095	1.2
147.87387	0.4
149.04544	1.1
150.97112	0.7
155.49652	0.4
159.03006	0.5
161.04587	4.5
173.04590	0.9
174.99612	0.4
180.98129	1.7
191.05594	2.5
203.07184	0.4
222.04805	0.4
225.00703	1.7
230.64577	0.4
245.14030	0.7
269.10239	2.1
307.08179	0.4
349.06024	1.2
349.18604	2.5
373.04520	1.1
391.06943	1.4
401.14706	0.5
481.10202	100.0
482.10464	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1351
Annotation	Catalposide
Peak:m/z	Relative Intensity
55.01878	1.3
57.03446	4.5
59.01378	19.2
61.98828	4.3
67.01886	1.4
68.99841	0.6
69.03455	1.0
69.45863	0.5
69.46194	1.8
70.15063	0.4
71.01382	7.6
72.99318	0.6
73.02940	2.6
81.03439	1.1
83.01391	4.7
85.02946	25.1
86.03304	0.5
87.00880	1.6
89.02438	3.8
92.02674	4.7
93.03458	75.7
94.03790	1.3
95.01369	1.7
96.95992	0.6
97.02945	4.6
99.00886	1.1
101.02441	6.0
107.05030	1.7
108.02187	1.9
109.02940	1.1
111.00884	17.1
111.04524	1.5
113.02429	4.0
117.03442	0.7
118.99183	0.4
119.03515	1.2
119.04959	0.5
121.02966	5.1
123.00909	0.6
123.04491	2.1
125.02465	1.5
129.01961	0.5
131.05014	1.2
133.02930	0.4
133.06606	0.8
134.03769	0.5
135.04539	3.0
136.01665	8.7
137.02443	70.6
138.02821	1.2
143.03529	0.5
145.02948	2.3
147.04515	0.6
149.06075	1.7
151.04033	2.3
153.01929	0.4
158.03758	0.7
159.04509	6.3
161.04688	0.9
161.06094	1.2
163.03992	3.3
166.02791	0.4
171.10335	0.5
173.04565	14.0
173.05977	0.5
175.04002	0.6
177.05571	15.9
181.05084	3.5
187.04013	0.4
187.07669	1.4
191.05605	15.2
193.05119	0.5
200.04683	0.4
202.06342	0.4
205.05048	100.0
206.05429	2.7
209.11868	0.7
213.09196	0.7
217.05052	1.0
231.10240	1.0
235.06119	1.8
255.06717	0.7
257.08224	1.7
275.09259	2.4
289.07208	1.1
301.07169	1.2
307.17523	2.1
312.06415	0.6
319.08203	13.8
320.08743	0.6
327.08612	1.0
342.11005	1.2
349.18726	0.9
357.13345	2.0
405.15427	1.6
439.21817	3.8
449.14594	4.2
481.13513	26.1
481.22827	4.6
482.13965	1.7
503.74509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03440	1.6
59.01378	13.4
60.99314	3.0
61.98835	3.8
67.01886	10.0
69.03458	3.2
69.37173	1.8
71.01377	8.1
73.02946	1.8
81.03436	2.3
83.01375	0.7
83.05016	2.3
85.02944	3.2
87.00871	10.7
89.02444	2.2
93.03452	62.7
94.03792	1.5
96.02184	0.5
96.95995	0.8
97.06578	1.8
99.00896	1.8
99.04527	1.1
101.02444	2.1
106.04152	0.4
109.02940	2.2
111.00879	1.1
111.04517	10.0
113.02467	2.4
115.04007	0.7
129.01936	1.9
133.02934	2.9
134.03737	28.7
135.04510	5.3
137.02448	4.5
143.03488	1.3
143.13754	0.5
153.01955	1.6
155.03496	5.1
161.04539	0.8
162.03159	0.5
164.22916	0.6
173.04538	100.0
174.04927	2.1
177.01917	4.0
178.02695	12.0
179.03471	2.4
191.05644	0.6
205.03554	0.7
221.56757	0.5
231.10237	1.3
235.20549	0.5
265.47467	0.5
275.09229	4.5
307.11847	15.0
318.58875	0.6
349.18652	0.7
421.22156	0.7
439.23087	0.6
449.14505	5.6
481.17072	29.4
481.22873	2.3
482.17279	2.1
504.33044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
59.01379	5.7
60.32971	0.3
60.99298	3.1
61.98825	1.1
65.03981	0.4
67.01889	12.1
69.03458	3.5
69.32320	1.2
71.01379	5.4
71.03141	0.3
71.11153	0.3
72.99290	0.3
73.02948	1.1
77.22849	0.3
81.03455	2.5
83.01361	0.4
83.05031	2.3
85.02959	1.9
87.00874	11.9
87.47494	0.4
89.02408	0.5
93.03458	73.9
94.03801	1.0
97.02954	0.5
97.06585	1.5
98.21870	0.6
99.00902	0.9
99.04523	0.9
101.02446	0.8
109.02914	1.1
110.08395	0.3
111.00889	0.9
111.04522	11.1
113.02447	1.3
115.04021	0.7
116.32569	0.3
129.01920	1.7
133.01268	0.3
133.02977	1.6
134.03741	23.9
135.04575	2.1
137.02466	3.9
143.03433	0.7
153.01852	0.3
155.03508	4.7
161.04558	0.4
173.04544	100.0
174.04887	1.9
177.01987	0.9
178.02711	4.5
179.03418	0.5
189.16431	0.3
189.57683	0.3
191.05553	0.3
231.10240	0.7
275.09244	1.7
277.18176	0.6
299.02057	0.3
307.11868	8.2
308.12225	0.4
311.75800	0.3
421.21619	0.3
428.90268	0.3
449.14465	5.0
450.15469	0.4
481.17133	22.5
482.17404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80453	0.4
57.03440	1.0
59.01380	3.2
61.98832	2.1
66.38595	0.4
69.40015	1.7
71.01376	1.3
72.99311	0.7
73.02943	1.2
73.33596	0.3
81.03463	1.3
83.05021	1.5
83.23662	0.5
85.02923	2.2
87.00896	0.6
93.03458	3.6
95.05006	0.5
95.47168	0.4
96.96017	1.1
97.06588	5.4
101.02444	1.0
101.39996	0.4
105.03458	0.6
106.04221	0.5
106.40031	0.4
111.00874	0.8
111.04530	3.3
113.06059	0.7
127.04012	0.5
129.01953	1.2
133.02975	4.4
134.03740	100.0
135.04573	8.7
137.02455	1.8
139.03864	0.5
155.03532	3.3
164.57327	0.4
173.04561	7.2
175.06111	0.6
177.01938	5.5
178.02725	18.9
179.03471	2.2
191.05652	1.2
231.10229	3.0
261.80179	0.4
275.09262	5.3
305.11508	0.8
307.11865	86.3
308.12173	4.6
453.58813	0.5
471.93420	0.4
481.16669	4.7
481.22403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
58.00584	0.5
59.01380	24.0
60.99306	0.9
61.98832	6.4
67.01893	6.5
69.03452	1.6
71.01382	6.7
72.99303	0.3
73.02938	2.0
75.00838	0.3
76.42722	0.3
78.00281	0.3
78.95889	0.3
81.03480	1.4
83.01382	1.1
83.05035	1.7
85.02955	3.3
87.00874	3.3
89.02450	1.6
93.03461	35.9
94.03780	0.4
95.01380	0.4
96.96002	0.4
97.02943	0.5
97.06590	0.3
98.03798	0.3
99.00878	1.0
99.04530	0.3
101.02461	2.6
105.03467	0.3
108.02170	0.3
109.02942	0.9
111.00892	1.9
111.04528	5.5
113.02439	2.0
119.03537	0.7
127.04018	0.3
129.01949	1.1
133.02965	3.3
134.03745	9.2
135.04561	1.9
137.02454	5.3
139.04002	0.6
143.03456	0.5
155.03517	3.7
159.02917	0.3
161.02419	0.4
161.04556	0.8
161.49080	0.3
162.03268	0.4
173.04553	100.0
174.04933	2.2
177.01950	3.4
178.02718	9.1
179.03426	1.0
205.03421	0.3
231.10258	0.4
251.92174	0.3
261.18600	0.5
275.09232	3.9
277.18073	7.6
277.21072	0.5
303.19669	0.8
306.07492	0.5
307.11926	2.8
308.08530	0.3
315.19543	0.4
331.19058	0.5
391.21350	0.5
413.38568	0.3
416.26428	0.4
421.22318	8.3
422.22598	0.4
439.23370	3.0
445.21170	0.3
449.14566	7.2
450.14993	0.4
481.17090	4.5
481.23508	0.6
508.58820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07558	0.9
65.76046	0.9
69.44112	4.5
78.95902	53.4
96.96953	3.8
98.22649	1.9
147.65065	1.0
152.99590	86.8
171.00653	17.7
183.08122	1.0
212.17824	1.0
227.03212	7.7
238.80411	0.9
245.04300	76.4
246.04723	1.5
253.21718	56.8
254.22141	1.8
260.23318	0.9
310.75116	1.1
481.25705	100.0
482.25931	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82313	0.7
70.70254	1.4
78.95900	48.9
80.16928	0.7
90.10589	0.8
96.20485	0.8
96.96976	4.1
134.70163	0.9
150.97934	1.6
152.99583	84.2
168.23743	0.9
171.00621	14.7
227.03236	7.1
237.58096	0.9
242.22838	0.9
245.04303	63.2
246.04608	1.8
253.21729	42.7
254.22047	2.4
481.25690	100.0
482.26053	7.0
499.86273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65836	2.0
78.95901	63.1
85.07826	1.0
85.83070	1.0
96.70853	1.0
96.96958	4.5
111.50865	1.1
152.99585	92.5
171.00652	19.2
227.03226	7.3
239.26270	1.2
245.04301	100.0
253.21725	71.1
254.22063	3.3
307.89844	1.2
481.25693	97.2
482.25870	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34458	0.7
64.78142	0.8
69.62716	3.2
73.21442	0.8
78.95900	48.4
96.96960	4.1
152.99583	81.8
154.00035	0.9
171.00635	12.7
227.03268	7.7
245.04308	57.2
253.21718	41.4
254.22035	1.7
320.88763	0.9
342.88712	0.9
481.25717	100.0
482.26062	6.4
508.88324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63793	1.4
59.01377	100.0
61.98829	6.0
71.01383	5.7
77.67638	1.5
85.02945	1.5
87.00840	1.5
89.02481	1.7
96.95986	1.4
99.92600	2.2
101.02425	3.5
109.38909	1.6
113.02469	3.2
115.92074	3.1
137.02464	1.5
200.92960	1.4
326.85202	1.7
366.07074	1.9
482.02591	5.3
482.36163	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03439	2.2
59.01381	16.2
61.98832	15.8
64.04652	0.9
66.19537	1.0
66.39197	0.9
67.01888	2.1
69.14263	6.6
71.01381	19.9
73.02947	2.2
73.69640	0.9
81.02908	1.1
81.03410	1.0
83.01363	1.3
83.05032	2.9
85.02971	5.3
85.23498	1.0
86.75966	1.0
87.00872	3.4
87.04504	4.8
88.04037	100.0
89.02455	2.1
91.06413	0.9
93.03458	12.5
94.03771	3.3
95.01387	3.0
95.05025	1.5
96.96006	3.2
98.06089	3.8
99.04513	2.2
101.02454	2.6
102.05602	1.0
103.04024	1.7
109.02951	1.1
110.03799	1.2
111.00886	4.0
111.04495	2.1
112.51826	0.9
113.02441	2.2
113.06087	2.3
115.00381	18.1
116.83315	1.0
116.92847	1.4
123.04491	1.0
124.05251	1.3
132.03021	39.9
134.03688	1.0
142.02681	1.1
154.99910	1.3
158.33153	0.9
161.86412	0.9
173.00911	1.4
173.04562	6.4
174.04840	1.7
191.05707	1.4
205.15880	1.5
231.94351	1.1
248.16628	1.1
249.14981	2.2
276.09518	0.9
278.17688	1.5
281.17529	1.1
290.17532	2.2
308.18738	1.2
309.16977	3.0
320.18658	2.3
330.40601	1.1
331.19202	3.1
349.20154	13.3
350.19769	1.4
364.17700	7.5
394.18811	1.4
406.18637	3.0
422.22635	1.8
424.19785	47.9
425.19943	2.8
446.21729	2.3
450.14822	6.2
464.22791	4.2
482.17886	3.5
482.23944	65.4
483.24283	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.7
71.28236	7.3
74.50859	6.3
75.56274	6.8
78.95899	61.0
100.02203	5.0
101.93523	5.4
152.99580	99.5
153.99908	13.0
171.00600	16.7
199.43277	6.0
245.04305	90.6
246.04695	33.0
253.21709	32.4
254.22066	86.9
261.32291	6.5
482.26059	100.0
482.32541	13.7
483.26324	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89853	3.3
61.98824	6.9
69.09615	13.2
69.10022	8.7
76.87186	3.4
79.96639	3.6
98.63798	3.8
113.59456	3.4
121.34383	3.1
131.43694	3.0
161.86797	3.6
243.35899	3.8
347.25900	100.0
348.26056	4.3
365.26956	24.0
409.19406	3.8
421.29678	8.8
447.39426	3.7
482.18719	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	10.6
69.86359	9.4
69.86747	9.8
71.00829	3.9
92.26163	4.3
108.24792	4.2
110.69070	4.9
115.21535	4.3
160.84235	4.4
192.71135	4.5
230.82901	5.2
347.25879	100.0
348.26175	7.6
365.26898	30.0
421.29297	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.6
61.98832	3.3
71.01389	3.9
71.04834	1.2
72.99303	4.2
79.95735	2.9
80.91673	4.6
81.85438	1.0
85.02928	5.3
89.02490	1.4
96.96011	100.0
99.00878	1.2
105.01350	1.0
108.86758	1.1
118.96679	1.7
125.67890	1.1
134.03726	3.7
140.98730	3.5
149.06075	1.4
156.98199	1.7
160.97656	1.5
173.04630	1.3
182.99728	7.9
183.21693	1.1
184.97644	1.5
186.99347	1.4
191.01956	1.8
191.05638	1.9
193.05005	1.7
198.99290	1.0
201.17482	1.2
205.98924	2.9
208.89391	1.0
209.02980	1.6
218.99652	2.6
226.98656	5.3
232.00359	2.4
246.99396	1.3
249.00740	1.4
258.02087	4.2
260.27625	1.7
265.10770	2.1
270.97705	2.2
273.01004	1.2
275.99603	3.2
284.12885	2.9
285.13361	1.7
288.98721	2.7
291.01791	3.1
302.01199	1.9
317.03308	7.0
319.01096	1.2
351.03857	1.5
361.02426	9.6
405.01224	1.2
423.02261	2.8
465.03503	1.7
483.15677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98853	9.7
64.78195	7.3
65.83225	8.0
69.17182	40.3
85.00878	9.5
85.17693	7.8
88.83763	8.2
98.21897	18.9
102.38268	10.6
103.00365	16.3
103.01501	46.6
111.00838	10.3
149.00671	8.8
181.88678	8.8
289.04935	16.3
319.06125	23.7
379.08176	70.6
390.97220	10.3
411.28833	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72477	0.5
57.03449	1.1
59.01368	3.1
61.98812	1.6
62.65679	0.5
63.10201	0.5
69.03463	0.5
69.11398	2.9
70.85374	0.4
71.01373	1.8
71.23090	0.5
74.11859	0.5
78.95937	0.6
81.03458	1.0
85.02945	0.9
88.04064	0.9
89.02473	0.5
93.03458	2.4
94.03790	0.7
95.01389	18.9
96.01693	0.5
96.95986	0.8
97.02946	0.7
97.06578	0.6
101.02465	0.7
101.23002	0.5
108.02190	2.5
109.02953	5.9
110.03732	9.5
113.02445	1.4
116.92854	0.7
121.02919	0.6
123.04556	0.9
125.09713	5.2
137.02469	3.1
142.02704	3.1
151.04007	1.1
152.04787	3.5
161.05965	0.7
161.09709	1.3
163.07576	0.5
165.05576	4.4
171.10278	0.6
173.04500	1.0
174.04884	0.8
177.09232	1.0
179.10797	1.7
185.11813	3.7
187.07545	0.6
191.10670	0.5
193.08688	1.2
199.00687	0.5
205.08685	0.5
205.12390	0.5
206.09395	1.2
207.10220	1.1
210.08867	0.6
221.11688	0.6
229.20294	0.5
236.14230	0.8
280.13052	0.8
287.20285	0.7
305.21036	0.9
306.07520	0.6
313.17810	0.7
331.19135	16.8
332.19470	0.6
343.18811	1.1
347.18155	0.6
349.20184	100.0
350.20526	5.2
361.20105	2.3
375.17844	0.9
447.21774	0.9
451.15247	1.4
483.22781	6.6
484.24268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30647	0.5
55.01893	0.5
57.03423	1.7
57.28278	0.5
59.01379	8.7
61.98831	3.5
65.80557	0.5
69.08583	2.0
69.09013	1.8
71.01380	6.1
73.02933	2.1
77.56426	0.6
78.95895	0.8
80.52522	0.5
81.03453	0.9
83.01366	1.4
85.02953	4.5
89.02451	1.1
93.03442	1.3
95.01386	22.7
96.01743	0.6
96.09190	0.5
97.02943	0.7
97.06560	0.9
99.00865	0.8
101.02445	4.2
108.02161	2.4
109.02934	4.5
110.03751	9.2
113.02434	3.8
122.03754	0.7
123.04501	0.9
123.08138	1.0
125.02412	0.7
125.09712	4.3
135.04503	0.7
136.05292	0.9
137.02458	3.3
138.78772	0.5
139.02773	0.6
142.02707	4.3
147.04610	0.7
148.42422	0.5
149.02443	0.8
151.03958	1.0
152.04819	3.1
161.04568	1.4
161.09694	0.9
163.03978	0.7
165.05580	3.6
173.04466	1.5
175.07568	0.7
177.09193	0.8
178.10135	0.7
179.07185	0.9
179.10762	2.1
185.11832	3.5
191.10916	0.7
193.08682	1.5
202.10022	0.8
205.08681	0.8
206.09457	1.1
207.10275	1.5
221.11795	0.6
236.14207	0.8
291.18237	5.7
313.18164	0.8
331.19141	14.7
331.23120	0.9
332.19391	1.2
333.20816	0.7
343.19138	1.1
347.18445	0.7
349.20175	100.0
350.20535	5.6
361.20102	2.4
375.18365	0.7
423.22357	5.8
447.22598	3.6
465.21295	0.7
483.22342	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23052	1.3
55.01864	3.9
57.03447	3.8
59.01377	49.7
61.98826	37.7
69.03455	1.4
70.87636	1.5
71.01379	51.8
72.99301	2.1
73.02945	22.6
75.00832	1.8
78.95914	1.6
82.95435	1.5
83.01391	10.7
85.02953	28.9
87.00858	5.1
89.02443	8.2
93.03480	2.0
95.01408	2.2
96.96033	2.0
97.02923	2.2
99.00868	7.4
101.01781	2.9
101.02438	46.9
111.00878	2.1
113.02444	21.9
116.92821	2.0
119.03486	1.9
125.02494	1.7
125.49738	1.3
129.01910	1.6
135.04507	1.5
143.03497	2.8
153.28569	1.5
159.02977	3.3
161.04526	18.2
171.82729	1.5
173.04524	2.0
175.05026	1.3
243.17841	1.3
291.18121	100.0
292.18524	3.7
349.20209	3.4
384.24359	1.4
423.22345	90.9
424.22501	4.8
483.23087	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
56.01762	1.2
57.03435	3.2
59.01381	57.6
61.98835	9.7
66.68828	1.2
69.03393	1.8
71.01384	33.0
73.02950	15.6
75.00886	1.9
83.01393	8.2
85.02950	18.9
87.00855	1.9
89.02443	10.2
89.59850	1.0
93.03485	2.0
95.00816	1.8
95.01391	25.3
96.96021	1.8
97.02977	1.8
97.06554	2.1
99.00883	7.6
99.04469	1.5
101.02446	28.6
108.02176	2.2
109.02960	6.4
110.03735	9.0
111.00878	2.3
113.02454	18.5
119.03526	2.0
123.08147	1.6
125.02464	1.4
125.09731	4.6
129.01915	2.1
135.04559	2.0
137.02438	3.4
139.00307	1.5
142.02647	4.8
143.03497	1.9
152.04768	2.9
159.03099	2.7
161.04570	11.1
161.05765	1.9
165.05525	4.3
171.10226	1.2
179.10747	3.0
185.11818	2.9
205.08777	1.5
206.09415	2.2
207.10225	1.3
219.10275	1.5
219.13940	1.2
247.13406	1.6
291.18124	39.7
292.18399	1.9
331.19122	16.6
349.20197	100.0
350.20529	5.8
361.20175	2.0
405.49359	1.2
423.22339	61.4
424.22476	2.8
447.22318	4.3
483.22333	10.3
483.29181	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28491	0.7
59.01380	100.0
60.48406	0.6
61.98826	0.8
63.76741	0.8
64.67926	0.6
71.01408	1.3
89.02461	0.7
92.23045	0.6
104.93922	0.6
113.02496	0.9
121.02994	0.6
131.24306	0.6
141.15089	0.6
158.84717	2.0
161.04514	0.6
166.08098	0.7
217.62527	0.7
244.63017	0.6
253.07501	0.7
269.07159	0.7
281.45755	0.7
291.20142	0.6
294.07706	0.9
296.16467	0.6
297.06619	0.9
307.08969	0.7
309.10144	1.6
326.06830	1.3
336.09082	1.3
337.09961	1.2
345.13895	1.0
354.10068	6.3
363.15051	2.3
405.15988	1.1
423.17172	1.9
448.07483	1.0
465.37860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2592
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2',6'-O-diacetate
Peak:m/z	Relative Intensity
51.27427	0.4
51.98136	0.4
54.08181	0.4
59.01375	100.0
60.01695	0.7
61.98831	0.9
71.01377	1.1
72.94614	0.4
73.02961	0.5
74.77318	0.4
76.68130	0.4
79.41782	0.3
83.01383	2.0
84.04573	0.4
85.02969	0.5
87.81815	0.4
89.02439	0.8
92.64417	0.4
94.12623	0.4
96.96045	0.5
101.02451	0.7
101.16393	0.4
116.14399	0.4
120.97178	0.4
265.07654	0.8
325.09769	0.8
373.92694	0.5
381.23062	0.5
385.20087	0.7
387.18146	0.5
399.23859	0.5
441.24585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21460	0.3
70.46629	0.8
78.95903	16.8
80.32204	0.3
96.96966	1.6
117.10769	0.3
135.18282	0.4
150.98080	0.5
152.99586	29.5
153.99928	0.4
171.00677	1.2
172.34721	0.4
218.20935	0.4
227.03281	3.8
245.04407	0.9
255.23282	100.0
256.23645	4.3
260.00708	0.4
391.22726	1.0
465.37033	0.4
483.27255	57.5
484.27557	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68037	0.5
63.50426	0.4
63.65218	0.4
78.95900	20.1
84.79057	0.4
96.13679	0.4
96.96947	2.1
102.88622	0.5
138.58202	0.4
150.98042	0.6
152.99583	33.8
162.83362	0.5
171.00623	1.3
180.68251	0.4
227.03253	3.9
245.04211	0.7
255.23289	100.0
256.23657	4.3
305.28818	0.5
344.80920	0.5
409.50281	0.5
441.29263	0.5
483.27271	55.9
484.27548	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73150	0.2
55.28779	0.2
59.01374	0.6
61.98829	100.0
69.36534	1.1
70.41340	0.2
71.01392	0.2
71.35631	0.2
78.80070	0.2
85.02960	0.9
87.59406	0.2
116.92873	0.3
162.25342	0.2
237.49707	0.2
266.07437	0.2
322.49063	0.2
418.80215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98812	65.0
63.57214	20.2
65.43250	19.7
69.55813	63.9
73.02923	37.9
74.72230	19.2
80.79362	19.2
98.22603	36.4
118.89964	24.1
118.91270	19.6
143.26077	19.8
153.26604	22.1
154.56203	21.7
185.85088	18.7
329.51459	22.1
394.67291	20.5
423.15567	22.2
484.00070	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19745	19.4
59.01379	100.0
61.98812	40.1
69.83832	61.9
114.11520	17.9
125.87299	17.3
126.79003	18.2
160.84232	94.7
271.13074	21.3
427.13614	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35887	0.3
59.01398	0.3
59.22403	0.3
61.98829	100.0
62.76740	0.3
70.55104	0.3
85.76684	0.3
87.23092	0.3
112.09695	0.3
115.16705	0.3
120.19495	0.3
125.09712	0.4
160.84261	0.6
162.83969	1.0
164.43501	0.3
167.39340	0.3
171.10349	1.0
195.07211	0.3
205.15952	0.5
233.15543	1.5
249.15033	0.7
272.87335	0.4
385.23883	0.4
403.24927	2.7
413.52298	0.3
421.25943	12.0
422.26590	0.8
428.91907	0.4
484.01263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.91769	6.2
61.98816	17.4
63.75010	6.3
68.60857	7.4
70.12723	7.3
71.01404	6.6
74.81342	5.7
83.63418	6.7
101.72036	6.0
107.79525	6.6
128.13133	6.2
130.08746	16.4
171.78094	6.3
305.82959	7.1
324.21744	11.0
432.19345	8.2
460.17279	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68555	7.5
59.01376	100.0
71.01369	12.1
82.95419	12.4
85.02951	11.4
89.55579	6.7
99.12495	6.2
103.94610	6.8
107.83366	5.9
109.45361	6.0
184.40562	6.0
219.73157	7.1
224.09439	6.3
265.07486	10.4
267.09024	14.0
309.10193	7.0
387.21967	7.3
425.18457	50.0
484.30142	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56654	2.3
57.03411	2.3
57.65639	2.8
59.01379	100.0
60.79235	2.3
61.98822	8.0
69.27553	12.5
71.01378	8.5
85.02946	5.6
89.02460	5.3
94.69180	2.2
96.64904	2.2
96.96099	2.7
101.02442	3.1
104.47750	2.5
107.37647	2.6
113.02441	3.3
126.96300	2.5
161.06110	2.3
230.73686	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69046	6.0
53.56311	6.0
59.01376	100.0
61.98819	23.6
66.38607	7.2
70.96236	12.3
71.01369	14.3
71.05028	8.7
85.02979	7.0
87.24138	6.0
143.10742	10.0
160.84201	15.7
167.14395	6.1
185.11818	25.8
211.13425	13.4
229.14417	24.7
333.20828	9.8
345.20566	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33572	7.5
59.01376	100.0
61.66113	7.4
61.98836	10.8
65.76270	7.1
69.15611	15.8
69.16026	26.4
71.01396	9.2
72.86575	7.8
98.21891	16.5
101.02441	7.5
130.08673	17.3
150.91734	7.1
177.71603	8.6
185.21655	8.4
283.48853	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03447	9.9
59.01378	100.0
61.98831	3.4
68.99822	1.2
69.09800	5.8
71.01377	12.5
72.99309	2.0
73.02944	10.0
81.03441	1.2
82.95410	4.3
83.01391	3.1
84.02155	1.4
85.02949	68.1
87.00874	57.2
89.02441	3.5
93.03452	2.0
96.96011	14.4
97.02924	3.2
98.21844	1.7
99.00875	1.8
99.92577	4.2
100.93360	2.5
101.02444	26.1
103.00370	3.6
105.47044	1.2
111.00894	1.2
113.02433	3.6
115.00345	1.1
115.92093	5.5
116.92841	5.1
119.03542	1.2
125.01642	1.3
125.02402	7.5
129.01111	1.5
129.01927	8.2
134.03719	1.3
143.03490	4.7
147.03018	9.9
147.40736	0.9
161.04564	2.0
167.03610	1.1
170.93983	1.4
173.00974	1.9
179.03502	1.9
187.07552	1.2
191.01973	35.0
191.05534	5.4
193.05107	1.4
209.02989	6.7
215.14581	1.2
241.95326	1.1
247.94153	2.4
262.96527	3.3
273.02396	1.2
305.08780	59.2
306.09225	1.8
323.09888	10.2
365.10870	34.9
366.11050	2.6
383.11853	3.7
425.12994	9.2
467.11865	4.1
485.03809	6.6
485.11914	1.9
485.17523	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.5
70.38785	0.6
72.00915	0.4
73.77500	0.3
85.02949	1.0
87.00881	0.3
89.56949	0.3
96.96007	0.3
101.00941	0.3
101.02432	0.6
108.02155	0.5
117.00429	1.2
122.07864	0.3
128.07216	0.8
130.08736	100.0
131.09050	1.5
157.03546	1.9
159.01498	0.8
165.65681	0.3
172.01045	0.5
183.01572	0.4
188.07779	0.9
191.01875	0.4
197.06189	0.3
201.02544	20.6
202.02805	0.9
210.06137	0.3
221.64540	0.3
228.07318	1.8
230.08842	6.3
231.09108	0.5
243.08391	0.3
272.09894	35.2
273.10147	1.7
298.07239	0.3
299.14569	1.3
301.16223	2.9
343.03711	8.8
343.17212	55.1
344.03925	1.0
344.17496	3.2
485.18365	15.7
486.18536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	12.0
71.01377	17.1
71.43809	1.8
73.02948	29.4
79.35330	2.1
82.95417	3.1
83.01377	8.2
84.95114	5.5
85.02950	6.3
89.02450	8.8
95.01377	2.2
101.02441	22.3
113.02446	8.5
119.03492	3.3
131.03439	2.5
161.04541	6.6
173.04572	2.5
178.50006	2.1
284.10611	7.5
331.59875	1.9
452.40125	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17354	2.0
59.01381	100.0
61.98832	9.9
69.57645	6.5
71.01384	19.5
73.02947	38.4
73.78532	1.9
79.32404	1.9
82.95407	3.3
83.01386	8.0
84.95102	6.3
85.02947	5.1
88.23885	2.0
89.02447	7.1
97.68116	2.3
101.02454	21.8
113.02461	12.6
113.08074	2.0
119.03486	4.9
128.70995	2.3
133.02898	2.1
135.64639	1.8
158.98386	1.9
161.04527	3.9
284.10504	4.9
361.58273	2.4
398.05508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02014	1.9
59.01376	100.0
69.17067	6.1
69.17477	6.0
71.01376	6.9
74.60291	1.8
85.02941	4.5
92.70930	2.1
101.02456	6.1
113.02441	3.8
161.04558	2.8
166.71576	1.8
167.43965	2.0
183.70535	2.0
212.94019	1.8
267.09109	3.5
342.95715	2.1
387.07285	2.4
399.23981	4.4
425.18689	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01379	100.0
60.01713	0.6
61.98851	0.7
62.13316	0.4
63.21302	0.4
71.01383	6.0
73.02969	2.6
75.42101	0.5
83.01384	0.9
85.02972	2.0
87.00878	0.6
89.02436	3.3
98.21847	0.8
101.02442	4.1
113.02444	4.4
119.03534	1.8
136.56187	0.5
138.10464	0.5
144.02470	0.4
161.04607	0.8
182.03816	0.5
219.94885	0.5
381.23041	1.0
399.23737	2.3
428.07687	0.5
485.24667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44528	0.6
59.01389	0.9
60.78822	0.5
70.94838	0.8
73.26509	0.5
78.95903	6.6
80.96338	0.9
84.71552	0.6
96.96033	1.4
97.06631	1.1
111.08199	0.7
123.08185	1.0
135.08107	0.9
147.66400	0.6
149.09760	1.0
152.99602	6.8
153.99994	1.9
155.00040	2.8
165.12936	0.6
168.56244	0.6
212.10037	0.6
227.03287	0.6
229.03789	0.6
236.77322	0.6
251.11377	0.7
255.23308	12.1
255.25771	1.0
256.23666	10.8
257.23935	14.3
257.26459	1.0
317.21368	0.6
319.22931	0.6
333.24454	1.9
351.23346	0.7
357.24597	0.8
359.25995	0.7
423.32681	3.1
431.29367	0.7
441.33987	1.0
449.30725	2.0
467.31644	7.6
468.32169	1.0
485.27951	10.0
485.33102	100.0
486.33258	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98829	100.0
66.25222	0.2
66.69468	0.2
69.08472	0.6
69.08874	1.1
70.65723	0.2
142.16150	0.2
159.30731	0.2
253.01361	0.2
281.11450	0.3
289.25439	0.3
299.27377	0.3
374.35721	0.3
486.20056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96606	0.3
70.93603	0.4
74.41738	0.3
78.95904	0.6
88.04041	56.8
91.42415	0.3
92.41313	0.3
94.03178	0.3
99.83424	0.3
110.15471	0.3
110.98542	0.6
118.62060	0.3
146.07375	0.3
147.08147	2.0
149.09723	1.4
160.08990	0.5
161.09744	1.1
163.11279	3.1
185.02226	0.4
187.11276	2.7
207.00392	0.8
265.12317	0.7
279.13947	1.1
280.14725	1.0
307.17056	0.7
309.22305	2.2
321.18655	1.0
322.19409	0.7
329.75919	0.3
337.21719	100.0
338.22083	6.6
382.27734	0.4
449.62988	0.3
486.26889	14.7
487.27292	1.6
487.34378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2705
Annotation	Broussonetine X
Peak:m/z	Relative Intensity
55.01880	0.5
57.03451	0.5
59.01379	13.7
61.98823	1.2
63.42765	0.3
70.60483	0.5
71.01377	5.5
73.02956	1.0
74.00692	0.8
83.01384	0.5
85.02944	2.6
85.20454	0.3
89.02442	3.3
94.57088	0.4
95.01384	0.6
99.00896	0.4
101.02431	3.5
113.02465	1.5
119.03533	0.6
124.01851	0.3
130.08737	100.0
130.31216	0.3
131.09116	1.7
136.00754	0.7
178.08806	0.3
289.18039	0.4
306.20740	1.4
307.19012	0.7
324.21924	0.5
352.21890	0.4
450.27933	0.4
468.25995	0.6
486.27069	89.1
487.27414	6.5
487.34106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97529	0.9
59.01376	18.5
61.98829	3.5
70.13892	3.0
71.01378	9.5
73.02938	2.4
82.95423	2.2
83.01402	1.1
84.93877	2.5
84.95129	2.1
85.02939	8.5
87.00867	2.2
89.02443	6.1
93.03466	2.2
96.96011	6.9
98.22084	2.8
98.95587	5.3
99.00875	3.5
99.92584	63.3
100.92652	3.4
100.93353	26.7
101.02454	4.6
113.02457	3.1
114.94936	3.5
115.92086	31.5
116.92861	100.0
117.03485	10.9
117.92868	2.6
117.93645	2.5
119.03586	1.7
119.05022	17.3
126.94947	3.1
127.05147	1.4
128.03531	2.2
134.03743	11.0
141.93625	1.7
142.94397	3.7
145.02957	50.8
149.06049	4.9
152.01146	2.2
154.94498	1.4
158.93896	1.3
160.01729	2.0
161.04614	1.3
161.06090	2.4
163.03996	23.3
167.03452	2.6
167.95247	1.7
175.04004	3.9
178.02711	4.6
191.01968	2.7
191.05574	1.9
193.02464	1.3
193.05064	11.1
195.98341	1.8
198.93407	1.2
205.04973	5.0
216.64813	1.1
220.99063	1.4
221.96233	3.9
222.97034	1.8
235.06143	2.4
239.97322	2.1
244.97598	1.8
259.96222	2.2
265.07178	3.7
291.03256	2.6
307.02878	1.7
307.08029	3.0
309.04391	6.0
324.03162	1.7
325.09109	1.9
355.06778	1.1
380.04858	1.1
451.07019	37.2
452.07437	3.1
469.07858	9.2
487.09006	54.2
487.14786	30.8
487.24539	2.1
488.09344	5.7
488.15448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01377	9.5
60.41832	0.6
61.98829	0.7
63.50053	0.8
66.92149	0.6
69.35860	2.4
70.94963	0.7
71.01375	4.4
72.99299	1.0
73.02965	1.0
75.75999	0.6
78.88429	0.7
82.95436	1.2
84.93874	2.5
85.02945	4.2
87.00881	0.8
89.02458	2.2
93.03435	0.9
96.96011	5.5
98.95611	5.3
98.96185	0.8
99.00887	3.6
99.92583	48.4
100.92666	1.6
100.93359	30.7
101.02460	1.7
101.93416	0.9
113.02453	1.4
114.94933	3.8
115.92082	28.1
116.92858	100.0
117.92850	2.9
117.93648	1.8
124.93346	1.4
126.94944	3.2
128.03580	0.8
130.08691	0.7
141.93616	2.0
142.94403	5.1
152.01169	1.3
154.94437	1.6
158.93896	2.2
160.01639	3.1
167.03455	1.7
167.95149	1.4
169.93117	1.1
170.93887	1.5
171.10139	0.7
173.04533	1.4
174.93257	0.8
175.03983	3.2
191.05659	4.5
193.05017	2.1
195.94685	1.4
195.98367	1.5
221.96262	2.7
222.97026	1.4
225.11327	1.2
226.96617	0.7
239.97249	2.1
242.95996	1.7
261.02164	2.0
291.03214	2.2
307.02869	1.6
308.03323	0.9
309.04318	6.4
377.03323	0.9
387.16809	1.0
393.06378	0.9
396.34766	0.8
407.08112	1.0
408.47977	0.9
421.05875	1.6
429.67569	0.7
433.05585	0.7
438.89630	0.9
451.07001	40.6
452.07242	3.2
469.07977	8.8
469.23346	1.4
470.07846	0.9
487.09064	60.8
488.09442	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23915	1.9
59.01376	100.0
69.69230	7.0
71.01382	22.2
73.02941	14.5
83.01388	5.5
85.02943	13.5
89.02451	5.5
90.91846	1.7
95.01398	2.3
96.66551	2.4
98.21889	2.0
99.00882	7.3
101.02437	19.9
107.05083	1.9
113.02454	11.3
113.03554	1.9
115.04002	3.3
122.06126	2.3
143.03503	3.2
149.32787	1.7
152.07162	6.8
152.08397	4.6
153.09186	11.8
154.71678	1.9
161.04590	12.1
172.67474	1.6
190.05025	9.5
205.12253	3.7
223.13367	3.6
269.10272	15.2
311.11298	5.6
355.12946	11.3
367.17575	3.0
380.65155	2.3
385.18326	2.5
401.14447	27.3
402.14908	2.6
427.19720	5.2
443.15561	46.6
444.15665	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17564	0.9
58.31158	0.8
59.01381	12.0
61.98817	3.1
68.66077	1.0
69.71629	1.8
71.01373	7.8
73.02943	2.5
80.52202	1.2
82.95400	1.5
83.01393	1.3
84.93835	1.3
85.02943	6.2
87.00863	3.1
88.04127	1.0
89.02448	4.9
91.51822	0.9
94.96428	1.0
95.01385	1.2
96.96004	2.3
99.00863	1.7
99.92580	17.1
100.93382	6.7
101.02451	3.2
102.13699	0.8
113.02451	2.7
114.94882	1.3
115.92062	8.0
116.92069	1.9
116.92865	27.4
117.03467	12.7
119.03568	1.3
119.05022	19.0
119.05801	1.6
121.02940	1.6
133.02965	2.5
134.03741	78.8
135.04091	1.7
137.02470	5.5
139.04013	1.1
142.94374	1.6
145.02953	58.2
149.06068	23.1
152.01128	1.2
160.01669	1.3
161.04636	0.9
161.06046	2.5
163.03999	26.7
167.03487	1.6
170.08617	1.0
170.93916	1.0
171.46306	0.9
174.21100	0.9
177.05589	1.3
178.02708	42.0
179.03101	1.6
179.05760	1.1
191.02136	0.9
191.05479	1.4
193.05051	100.0
194.05424	3.4
198.92868	1.0
205.04997	4.6
221.03152	1.0
224.59418	0.9
235.06091	2.9
265.07156	5.3
293.08847	2.1
300.83356	1.1
307.08337	2.1
325.09659	1.5
451.06995	9.9
469.07956	2.6
487.08929	8.7
487.14667	87.1
488.14938	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63409	0.8
50.91357	0.8
54.89803	0.7
55.01880	1.0
57.03452	1.6
59.01379	100.0
61.98830	1.2
71.01385	20.6
71.44392	0.8
73.02946	18.2
75.00887	0.7
82.95421	1.0
83.01385	3.3
83.05130	0.7
85.02948	14.3
85.07191	0.7
87.00902	1.0
89.02444	5.3
95.01400	1.9
96.96001	1.1
97.02945	1.3
97.48428	0.7
99.00884	5.8
100.93353	0.9
101.02447	20.5
104.75999	0.7
107.05004	0.8
110.19939	0.6
111.10993	0.8
112.01748	0.8
113.02442	11.2
113.99134	0.7
115.92065	0.9
116.92899	1.4
119.03474	0.9
125.02470	1.0
129.01932	1.0
131.03514	2.0
134.04790	1.9
137.02513	0.9
138.06889	2.0
143.03506	2.1
151.07690	1.5
152.08466	3.1
153.09221	12.1
159.03003	2.1
161.04561	12.1
161.09767	2.0
179.10776	6.8
191.01942	1.0
191.05606	1.0
193.05037	1.3
202.57297	0.8
205.12341	6.4
223.13385	6.8
251.09303	1.4
269.10321	12.3
270.10825	0.8
277.12766	0.7
290.54080	0.8
311.11395	3.5
325.07162	0.8
367.17590	2.6
385.18759	2.0
401.14499	21.4
402.15091	1.6
427.19638	5.4
437.15344	0.7
443.15555	42.9
444.16052	2.8
487.23886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22863	0.4
57.03441	1.3
59.01381	100.0
60.01719	0.4
61.98846	2.0
65.59082	0.3
69.10951	2.3
71.01387	5.3
73.02953	10.3
75.00883	0.5
76.78644	0.3
82.95441	1.5
83.01405	3.0
85.02956	6.4
86.03296	0.7
88.42716	0.4
89.02460	2.4
90.60275	0.4
91.68939	0.4
96.96028	0.7
98.21845	0.7
99.00903	0.4
99.92593	0.9
101.02448	8.1
111.00867	0.5
113.02467	3.6
116.92861	3.0
119.03551	1.1
128.03540	0.5
129.02016	0.5
131.03531	1.0
143.03523	0.8
149.04575	1.2
155.03427	0.6
161.04578	2.5
163.04173	0.5
163.11357	0.5
173.04672	0.4
189.09239	0.6
191.01952	1.7
191.05597	0.4
192.02386	0.7
193.02412	0.8
203.05647	0.5
205.12297	2.4
221.06740	0.7
223.13451	0.4
249.80424	0.4
251.07230	0.5
265.14496	1.7
279.06708	0.6
283.84665	0.3
307.05981	3.1
325.07251	1.9
350.09094	0.4
384.26666	0.4
487.22119	1.2
487.30627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84960	2.4
54.88094	2.6
59.01375	100.0
61.98825	4.8
65.64427	2.6
71.01363	11.3
73.02952	3.4
79.91453	3.1
85.02937	7.8
89.02412	4.2
98.22632	10.3
101.02433	7.2
113.02484	4.8
132.72647	3.0
141.25612	2.7
161.04611	3.8
191.63974	3.0
222.01305	2.7
308.59793	2.7
401.25262	8.5
450.69626	3.0
455.64584	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01371	0.3
61.98820	0.7
62.29046	0.2
69.44394	0.4
69.44740	1.1
71.04971	0.2
74.82275	0.2
87.54141	0.3
95.36618	0.2
96.96004	1.0
100.24506	0.3
125.87270	0.3
135.04514	0.4
154.91896	0.3
160.84238	1.7
176.90112	0.2
190.51184	0.3
204.78989	0.2
276.05222	0.3
287.25568	0.3
391.29962	0.3
409.31085	1.3
421.31265	0.3
443.23962	0.3
452.08249	0.8
469.33173	0.5
487.34296	100.0
488.34674	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62575	0.5
59.01369	0.5
61.98824	2.3
71.05016	1.8
96.96002	3.3
105.03452	0.8
133.02939	2.4
134.03738	2.8
135.04517	2.1
137.02448	0.9
154.91891	1.8
177.01952	1.8
178.02699	2.1
179.03459	1.1
291.19400	0.8
309.20737	2.8
421.31070	0.9
423.32858	1.1
427.32062	1.3
437.30771	1.3
439.32492	0.8
441.19736	0.5
443.24780	0.7
467.31650	2.4
469.33243	13.3
470.33655	1.8
487.34320	100.0
488.34738	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.28259	0.2
55.96480	0.2
58.02382	0.2
59.01379	0.4
61.98822	0.5
69.64682	0.5
98.22614	0.4
101.54385	0.3
106.51974	0.3
131.51517	0.2
137.02448	0.2
138.90236	0.3
160.50168	0.3
160.84221	0.2
162.83905	0.5
178.67703	0.2
260.30930	0.2
315.50876	0.3
405.16071	0.5
443.31479	0.3
487.34308	100.0
488.34631	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55543	0.6
59.01385	4.6
61.98823	3.2
69.24570	4.6
71.01376	3.1
73.02921	0.7
89.02414	0.9
90.23418	0.8
93.03448	0.9
101.02419	1.7
155.10782	1.0
171.10281	1.8
211.13324	1.5
229.14471	4.4
268.03757	57.3
269.04184	3.9
283.06107	100.0
284.06464	3.2
327.21631	1.1
392.94440	0.8
447.22247	1.1
489.27191	13.5
498.37173	0.8
507.91275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40900	3.8
59.01377	100.0
61.98828	15.6
69.40962	13.4
69.41371	6.4
71.01361	4.7
96.95988	6.0
111.00901	4.6
121.02941	5.2
125.87294	11.6
133.11308	4.3
135.51477	4.0
160.84224	23.8
162.83934	11.3
164.83582	7.0
169.07013	4.1
262.00476	4.7
267.66510	4.7
289.89328	4.6
316.01764	8.6
385.16751	9.7
398.46765	4.4
416.10388	16.3
445.18674	50.0
446.18860	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46131	0.5
59.01380	13.6
60.01704	0.5
61.98816	1.4
68.66589	0.5
69.09324	3.2
71.01387	2.0
73.02956	2.9
84.04554	1.1
85.02959	1.1
87.00869	0.9
89.02416	0.7
93.50095	0.5
94.02987	1.4
94.06612	1.6
96.04568	1.3
96.95981	0.6
99.00898	0.6
101.02451	1.9
104.05047	0.8
106.06633	7.8
107.03770	5.0
107.38167	0.5
108.02158	0.5
112.04037	2.1
113.02448	0.6
113.43790	0.5
115.98059	0.5
116.92844	0.5
119.03491	0.5
120.01232	1.3
120.04577	1.1
122.06124	29.2
123.04471	0.7
123.10693	0.5
130.06650	0.6
131.03661	0.7
132.04558	11.2
132.06667	1.2
134.06113	1.4
135.06911	1.8
139.02634	0.5
145.07686	2.7
146.04807	1.8
146.05972	1.0
147.03328	0.6
148.04048	0.7
149.04607	0.7
150.05603	5.9
152.07173	64.3
153.07446	1.0
158.02495	4.2
160.04041	4.7
161.04765	1.0
161.07155	2.6
162.05644	3.3
173.02411	1.0
174.04347	0.6
174.05608	3.7
175.05075	0.6
175.08752	0.6
176.03529	3.7
186.05673	0.6
188.05884	0.6
189.06680	2.3
190.05113	18.4
191.05597	1.2
192.06657	2.6
194.04550	3.1
202.04996	0.7
203.08319	2.4
213.06766	0.8
227.11809	0.5
231.07800	0.8
251.07854	0.5
251.11971	1.0
255.07758	0.8
267.11389	1.3
281.11853	0.8
291.09885	6.3
295.10852	2.5
297.12402	1.8
305.11575	0.7
309.07727	0.9
310.15601	0.8
313.12015	0.9
314.64749	0.5
323.12360	2.1
325.11914	7.1
326.15375	3.1
327.13422	1.5
335.12744	0.7
339.13406	1.6
341.11404	6.5
354.14594	6.0
355.12939	13.4
356.13501	1.5
357.14459	0.8
367.08560	0.7
368.15936	0.8
386.17056	0.7
428.18396	0.8
452.18222	0.8
456.17697	5.3
460.20880	1.8
470.19034	2.3
487.30261	1.4
488.20367	100.0
488.30222	3.7
489.13977	3.0
489.20651	6.9
489.27859	0.7
489.30542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
51.96150	1.3
59.01379	41.2
61.98814	5.4
63.94127	1.4
68.06101	1.4
70.27153	3.4
71.01376	15.3
72.99318	1.6
73.02956	9.5
82.95409	5.4
83.01423	2.0
84.00906	1.9
84.95114	29.4
85.00442	4.3
85.02945	9.2
87.00867	4.1
89.02444	15.7
93.03539	1.4
93.57649	1.4
95.01402	2.6
96.95985	1.9
98.22076	2.1
99.00874	14.6
101.02470	8.5
108.02161	1.9
113.02451	5.3
116.92838	1.9
119.05014	4.2
123.04525	3.5
124.01672	1.6
125.02415	2.2
127.05156	1.3
128.03503	1.5
131.03456	2.6
134.03720	3.7
135.04521	10.1
135.96741	1.3
136.05281	14.0
137.02457	2.0
141.01775	1.5
145.02930	3.5
147.06540	1.7
149.04564	6.9
151.04031	1.8
151.07620	4.4
161.02408	1.9
161.04561	2.9
162.03185	5.2
163.04001	2.4
165.01901	14.8
177.05576	5.1
180.04288	16.7
181.04929	1.4
191.05577	3.5
193.05031	1.9
195.06621	100.0
196.06921	3.0
233.06708	5.1
237.07724	1.8
283.02496	2.7
293.08813	2.9
313.64920	1.5
325.81995	1.4
326.04257	3.3
327.05118	2.7
369.44354	1.4
401.62799	1.3
457.74637	1.3
489.10394	5.1
489.16153	99.5
490.16431	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23382	0.5
57.03441	0.7
58.00599	0.7
59.01379	100.0
60.01706	0.8
61.98836	1.1
69.03460	0.6
69.34818	2.5
71.01380	16.6
72.99315	1.4
73.02945	25.2
77.05643	0.5
83.01408	2.2
85.02955	8.9
86.00079	0.7
87.00883	4.8
87.04491	2.8
89.02445	17.8
97.02989	1.3
99.04517	0.9
99.88374	0.5
101.02444	38.9
103.04011	15.1
106.79099	0.5
113.02462	2.4
115.04005	6.6
116.92877	0.5
119.03502	8.7
121.55090	0.5
125.02433	2.5
127.04047	1.3
131.03494	7.2
143.03513	8.8
145.05063	5.0
161.04610	1.3
163.06122	60.7
178.02652	0.5
179.05701	0.7
185.84926	0.6
205.07153	18.0
227.12712	0.6
235.08325	0.7
240.04160	0.5
265.09247	6.6
267.15927	0.6
273.19083	0.6
283.06326	0.5
325.11398	0.7
327.08704	6.9
351.18182	0.7
369.19171	0.9
387.20520	1.3
429.17297	7.4
430.18146	0.8
431.10590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95586	0.3
59.01378	100.0
60.01720	0.6
61.98827	0.6
71.43587	0.3
78.95920	0.9
95.05019	0.4
102.02248	0.3
105.03441	1.6
108.02139	0.3
109.02946	0.5
121.02969	2.1
125.02474	0.4
136.01669	0.4
137.02405	0.5
139.04025	0.4
146.03804	0.4
147.04530	0.5
151.03996	2.9
161.02443	10.1
162.03146	0.6
164.04710	0.4
171.10246	0.6
175.03976	0.7
176.04755	0.7
180.04303	0.5
181.67772	0.3
188.04790	1.9
189.05656	0.3
191.07066	0.6
194.05885	0.8
195.06631	1.1
206.05829	1.3
209.08134	0.5
214.34312	0.4
220.59001	0.3
224.12285	0.4
248.06845	0.5
277.07846	0.4
289.04861	0.4
301.53226	0.4
311.12790	0.4
327.12381	1.0
329.13840	0.6
339.12225	2.0
345.13660	1.6
349.13071	0.4
357.13300	3.8
363.05322	0.7
372.15640	2.2
375.14365	1.0
387.18106	2.9
390.16861	2.0
399.14514	2.5
405.19183	2.7
407.17526	0.5
414.16849	6.4
415.17377	0.6
417.15198	0.4
429.19202	9.1
447.20264	3.5
459.16522	1.4
474.18945	5.6
488.92249	1.1
489.21326	19.7
490.21609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98821	2.6
70.87414	0.8
78.95917	2.8
80.88482	0.6
105.03500	2.9
110.48502	0.7
111.00858	1.2
136.01663	1.3
151.04024	1.8
161.02458	9.4
162.83904	1.9
164.83533	1.0
188.04868	1.2
207.10382	0.7
207.12392	0.7
315.19806	0.8
339.12650	1.5
357.13651	1.1
387.18372	1.1
399.14539	2.2
414.17181	0.9
447.20343	4.6
454.06961	0.8
459.16565	2.1
469.41425	0.7
474.18915	7.7
489.21332	20.9
489.35791	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54939	0.3
55.01875	0.4
59.01379	71.9
60.01705	0.4
61.98831	0.8
63.02411	1.3
65.00336	0.7
65.94756	0.3
69.03470	0.7
71.01381	7.4
72.99329	0.4
73.02945	16.3
83.01395	4.6
85.02947	3.8
87.00861	0.5
89.02457	3.7
95.01398	0.5
96.96014	0.4
97.02941	0.4
99.00931	0.4
99.04481	0.4
101.02448	16.2
107.01396	2.8
109.02963	0.7
113.02448	6.0
116.92859	0.8
119.03490	2.4
121.02975	0.5
124.04013	0.4
125.02473	0.6
131.03502	1.2
132.02174	0.7
133.02946	4.5
134.03741	1.6
135.04504	0.4
143.03503	1.6
144.05618	0.4
148.01700	0.6
149.02446	1.4
149.04570	2.2
151.00362	5.1
155.03520	0.4
155.08322	0.6
161.02612	0.4
161.04553	5.1
171.04544	0.7
174.03090	0.4
175.03990	1.8
177.01935	0.3
179.05647	0.5
183.04543	0.4
183.07794	0.4
188.04860	0.4
191.02031	0.6
198.03209	0.6
199.04013	1.6
200.04698	0.6
201.01901	0.6
203.05559	0.8
211.04012	1.2
212.04932	0.4
213.00156	0.6
213.05573	0.4
215.03473	0.4
217.05080	0.7
221.06651	1.2
227.03494	2.0
227.06761	0.9
228.04303	0.5
229.14587	0.5
239.03490	0.7
241.05002	0.7
243.03188	0.7
255.03098	1.8
256.03766	5.3
261.05539	1.8
267.15958	0.7
283.02567	1.0
284.03259	80.0
285.04028	100.0
286.04385	4.7
297.04199	0.4
327.05057	1.1
369.19125	0.6
380.17761	0.4
429.21259	1.4
450.69638	0.4
489.10379	93.1
490.10730	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52864	0.4
59.01377	100.0
60.01711	1.0
61.98825	1.6
69.99302	1.0
71.01383	11.1
72.99311	0.6
73.02946	22.7
75.00893	0.6
81.03519	0.6
81.84505	0.5
82.95427	0.7
83.01388	6.0
85.02962	3.9
89.02446	5.8
90.32809	0.5
93.03422	0.6
94.03041	0.5
95.01398	0.7
96.04589	0.6
96.96029	1.2
101.02441	22.0
107.03770	0.7
109.02981	0.5
111.00954	0.6
113.02445	8.9
113.03236	0.5
115.92098	0.6
116.92902	1.0
119.03503	3.2
122.06131	2.9
123.06491	1.5
125.02454	0.9
131.03560	1.6
132.04590	1.4
143.03526	1.6
149.04536	4.5
152.07152	5.6
153.07506	3.4
155.03552	0.9
159.02919	0.5
159.04596	0.6
160.04041	0.9
161.02563	0.5
161.04530	7.4
174.03302	0.7
175.61440	0.5
187.04076	0.5
189.06755	0.9
190.05183	1.5
191.05496	1.7
203.05649	1.1
207.13937	0.5
221.06671	1.4
242.80124	0.5
281.08325	1.0
291.10117	0.5
292.10187	0.5
309.07678	8.8
326.12256	0.6
327.05344	0.7
327.08945	2.4
342.11877	0.6
355.14807	1.0
356.13522	1.9
369.19089	0.6
387.20319	1.0
429.14209	0.5
429.21585	1.5
457.17987	0.5
461.21750	0.5
489.14282	32.5
489.21017	15.1
489.29663	3.5
490.14624	2.1
490.21127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32322	1.5
57.03417	2.0
59.01375	10.2
71.01375	4.5
71.44319	1.4
73.02931	4.8
83.04996	1.7
85.02938	4.3
87.00875	1.5
88.98807	6.9
89.02445	20.7
99.00872	6.1
99.08137	3.6
100.93382	3.3
101.02421	4.0
103.92038	1.6
105.45707	1.4
109.16846	1.7
109.28481	1.4
111.00866	4.7
113.02446	3.2
115.92079	10.7
116.92884	2.3
125.87325	3.0
127.87061	3.1
129.01909	3.4
134.03679	1.6
142.87561	3.6
159.02963	2.5
161.08232	2.4
162.83907	3.4
167.14391	1.7
171.10281	4.1
183.13866	4.8
191.05544	1.6
191.88609	1.6
209.11832	2.8
209.15553	1.6
211.13416	25.7
229.14470	16.2
231.53760	1.6
318.03302	3.0
319.03564	3.4
325.05225	1.6
329.23325	100.0
330.23520	4.4
489.27032	11.8
489.33731	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
57.03445	1.6
59.01377	12.5
61.98809	1.1
64.34303	0.6
68.32423	0.5
69.03426	0.5
69.12579	1.2
69.12988	2.3
71.01380	9.4
71.86174	0.5
73.02944	3.4
83.01379	1.7
85.02952	5.4
89.02450	3.9
95.01362	0.8
97.02933	0.6
97.06571	2.2
99.00881	0.9
101.02438	6.2
113.02452	3.7
119.03516	1.2
122.55342	0.6
125.09743	1.0
127.11275	1.8
129.09193	0.6
155.10789	6.0
161.04549	2.1
171.10274	9.7
181.12361	0.6
183.13863	1.0
185.11740	0.9
197.11877	1.3
209.11845	1.9
211.13385	10.9
221.11719	0.7
229.14433	31.1
230.14832	1.0
239.13110	0.6
247.20731	0.6
253.64601	0.5
257.13965	0.6
280.87042	0.6
291.19598	4.4
309.20715	3.8
311.22189	1.2
315.18082	6.4
327.21805	7.0
391.19821	2.9
399.40778	0.6
447.22189	7.1
471.26337	0.8
489.27029	100.0
490.27386	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	93.1
61.98824	11.8
74.22610	4.4
76.60432	4.4
82.63081	4.5
84.56673	4.1
107.16382	5.2
123.07178	4.4
136.93175	4.5
144.87306	6.1
146.56389	4.4
147.04483	7.9
153.09230	4.6
162.83893	7.4
164.07089	7.0
199.60449	4.3
209.11823	12.3
247.23470	5.0
296.81274	4.7
299.13159	5.4
307.19180	24.4
325.20169	25.6
357.13483	20.2
387.17889	6.4
405.19165	6.2
417.15494	12.4
432.18021	7.5
447.20154	100.0
448.20850	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
57.03426	3.8
59.01375	40.4
61.98822	2.5
69.11954	3.4
69.12360	7.9
71.01379	51.3
72.01720	1.8
73.02946	14.9
83.01381	6.4
85.02946	23.9
87.00883	2.6
89.02454	15.5
95.01375	2.8
99.00879	6.1
101.02432	33.2
113.02433	20.4
118.17853	1.5
119.03499	3.6
125.02441	4.1
131.03502	2.7
143.03534	3.0
149.04520	2.0
155.10814	3.5
156.11131	2.1
159.02988	5.3
161.04559	36.7
162.04784	1.8
171.10246	9.8
172.10562	2.7
209.11708	1.9
211.13431	5.4
212.13719	4.9
229.14397	13.9
230.14745	16.3
292.20053	2.3
310.21021	2.5
315.18082	81.7
316.18411	3.1
327.21814	2.6
328.21970	4.2
447.22351	74.1
448.22632	4.9
456.71768	2.2
490.27405	100.0
491.27924	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98824	0.9
69.03455	2.8
71.01371	1.0
73.02934	0.4
78.62638	0.3
85.02936	0.6
89.02421	0.4
91.68828	0.3
96.96082	0.4
97.02956	4.7
98.21891	1.0
101.02418	0.4
111.00851	0.5
119.05067	0.4
130.45805	0.3
131.13072	0.4
135.04596	0.3
215.95113	0.3
237.05545	1.1
240.64063	0.3
247.07666	0.4
250.06369	0.5
261.05838	0.4
265.05011	3.9
273.09152	0.8
274.06140	0.4
275.07111	0.5
276.88516	0.3
278.05936	0.8
279.06561	2.0
280.07349	0.8
283.06064	0.5
287.07245	0.6
289.08612	1.2
290.05807	0.9
292.03632	0.4
293.04614	3.4
302.05902	1.2
303.06616	2.4
307.06198	2.0
308.03381	0.5
308.06924	10.0
309.07272	0.7
315.06494	0.8
316.07407	1.5
317.04810	0.6
317.08109	3.1
318.05270	2.7
318.08554	0.5
323.09201	5.0
324.09845	0.4
330.05267	1.0
330.08969	0.4
331.06268	3.6
331.09760	0.5
335.05615	0.8
343.06070	0.4
344.06949	0.5
345.07654	13.1
346.04755	12.8
346.08398	2.0
347.05081	1.0
350.91867	0.4
359.05554	2.9
359.09491	0.9
360.06085	0.7
360.10159	0.5
361.07056	2.1
361.10812	0.8
363.57474	0.4
373.07166	7.6
374.04294	6.1
374.08514	0.7
375.04706	0.6
387.05032	1.3
387.09351	0.8
388.04642	0.4
388.09570	12.2
389.06619	36.2
390.07034	2.3
392.05453	0.5
403.07794	2.3
403.12527	0.7
404.08826	1.0
419.11319	0.5
431.07684	5.4
432.08371	4.3
447.10840	100.0
448.11169	7.3
491.09811	2.5
491.28674	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98090	0.3
59.01384	3.9
61.98832	1.8
63.89552	0.4
66.05542	0.3
69.29650	0.4
69.29965	1.8
69.46966	0.3
71.01379	0.8
73.02941	0.7
75.00874	1.8
85.02954	0.7
89.02457	0.6
96.95972	0.3
101.02467	0.8
104.09994	0.3
108.02154	1.2
109.02946	4.1
109.92036	0.3
121.03033	0.4
133.02939	0.4
134.03716	0.4
135.04524	3.0
151.00378	0.4
152.01129	1.8
152.07231	0.4
153.01942	3.6
153.05545	0.5
159.97827	0.4
160.01659	1.4
161.02423	2.8
175.04018	1.3
179.03482	2.7
181.12239	0.5
185.02466	0.9
193.05098	0.4
196.96628	0.4
198.03189	1.9
199.03990	0.8
201.01915	0.6
202.02725	1.4
203.03548	0.5
214.02681	0.8
215.03476	0.7
225.01889	0.9
225.11267	0.4
226.02725	11.0
227.03488	5.4
239.03487	1.0
240.04269	0.5
242.02209	2.7
243.03003	9.2
253.01480	2.1
255.02986	0.6
257.04636	0.4
268.03751	0.7
270.01718	10.2
271.02478	16.3
272.02811	0.6
282.05185	0.7
284.03287	1.7
285.04056	17.5
296.03360	1.2
297.03824	0.6
299.02002	16.4
299.05450	0.8
300.02524	1.2
309.04095	0.5
312.02737	1.5
313.03558	35.3
314.04260	6.6
315.04489	0.7
315.07367	1.0
323.07721	0.5
327.05215	1.7
328.02194	1.1
328.05823	6.7
329.06625	4.6
343.04611	4.7
357.06216	0.4
384.61331	0.4
431.22678	0.8
459.09402	1.5
461.07285	19.9
462.07739	1.4
475.08878	0.4
476.09622	14.8
477.10135	1.0
491.11969	100.0
492.12238	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76168	0.3
57.03446	0.6
59.01377	5.5
61.98832	1.9
68.69767	0.2
71.01385	1.3
72.99313	0.4
73.02975	0.4
74.39972	0.2
75.00871	2.4
83.01420	0.3
85.02962	1.2
89.02451	0.6
101.02444	0.8
108.02200	2.0
108.02859	0.4
109.02959	5.0
110.29942	0.2
113.02467	0.4
113.97063	0.2
121.02927	0.3
122.06143	0.5
132.02171	0.5
133.02997	0.8
134.03754	0.8
135.04523	3.7
151.00397	0.6
152.01163	3.0
152.07237	0.4
153.00703	0.4
153.01933	5.7
160.01662	2.5
161.02446	3.9
161.04553	0.4
163.00352	0.3
174.03224	0.5
175.04013	1.3
179.03503	3.4
181.12309	0.6
183.04486	0.5
185.02434	0.8
193.05052	0.6
198.03209	2.3
199.04050	0.9
200.01225	0.3
201.01964	0.5
202.02800	1.4
203.03519	0.7
214.02762	1.0
215.03467	0.7
225.01984	0.8
225.11229	0.5
226.02707	11.1
227.03502	6.1
229.01300	0.3
239.03427	0.9
241.05026	0.3
242.02188	2.6
243.02971	10.7
244.03392	0.5
253.01387	2.1
255.03123	0.5
267.03064	0.3
268.03763	0.7
269.04504	0.4
269.98743	0.4
269.99326	0.2
270.01685	10.2
271.02463	16.7
272.02869	0.7
281.04623	0.3
282.05280	0.5
283.10730	0.3
284.03198	2.2
285.04028	17.8
286.04340	0.9
296.03192	2.0
297.04071	1.0
299.01962	18.2
300.02582	1.6
309.04071	0.7
312.02591	1.4
313.03540	34.9
314.04187	6.2
315.04507	0.6
315.07260	1.2
323.07733	0.7
327.05109	1.9
328.02213	1.3
328.05759	6.3
329.06635	3.7
337.09198	0.4
343.04633	3.8
357.06183	0.8
387.20444	0.4
389.08704	0.5
431.23068	0.5
448.18875	0.6
459.09256	2.1
461.07248	21.2
462.07520	1.6
475.08762	0.5
476.09570	14.6
477.09790	0.9
491.11935	100.0
492.12195	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98822	8.2
63.02321	1.3
71.01382	22.0
73.02947	30.1
75.00875	8.1
81.49466	1.4
83.01388	8.3
85.02956	7.0
87.00876	2.8
89.02448	8.2
95.01385	2.6
97.02979	2.1
98.00110	3.1
99.00911	2.9
101.02443	30.9
111.00882	8.9
111.34467	1.3
113.02461	13.5
116.92849	4.6
119.03522	4.0
129.01897	3.5
130.08788	2.2
131.03537	2.5
137.09727	4.7
137.93738	1.3
141.01935	2.6
143.03532	4.0
149.04559	5.9
155.03545	1.7
159.02995	13.2
161.04553	14.2
164.07167	1.9
168.06982	1.7
172.03780	2.4
179.05617	2.3
211.13324	3.6
221.06628	2.7
455.32422	2.6
491.11411	2.2
491.21609	2.6
491.28387	10.1
491.39749	1.9
492.22198	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01378	100.0
61.98823	11.8
69.03457	3.2
71.01377	28.9
72.99304	2.4
73.02946	52.4
75.00880	2.6
80.04364	1.3
81.03458	2.0
83.01378	15.8
85.02959	10.9
87.00896	2.2
89.02451	12.1
95.01418	2.1
96.96005	4.0
99.00889	2.0
101.02436	39.7
108.02200	2.4
111.00890	1.7
113.02454	16.6
119.03516	5.8
120.53267	1.5
123.04507	3.3
125.02436	1.8
129.01938	1.7
131.03534	3.3
135.04507	1.6
143.03473	4.5
147.04486	1.5
149.04535	5.4
152.01180	2.1
153.05571	2.3
159.02953	1.9
161.04538	12.6
179.03607	2.4
186.46077	1.7
189.12872	8.0
221.06715	2.4
250.20584	1.6
331.03882	1.5
391.61951	1.5
419.35031	1.6
419.95377	1.5
431.26920	1.9
459.20624	1.7
481.06876	2.2
491.11911	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47164	1.3
57.03440	2.6
59.01380	100.0
61.98831	6.1
63.95195	1.1
69.17875	1.0
69.19958	7.2
71.01385	23.6
72.99324	1.7
73.02947	61.7
75.00870	4.9
83.01388	12.9
83.32694	1.4
85.02969	6.7
87.00864	1.7
89.02447	9.7
95.01430	2.3
96.96026	2.9
97.02943	1.3
99.92577	3.1
100.93376	3.5
101.02449	41.8
111.00877	1.8
113.02450	16.3
115.91409	1.2
115.92086	6.0
116.92864	31.0
118.92664	1.2
119.03504	5.8
125.02467	2.1
129.02043	1.2
131.03529	3.4
143.03526	4.2
146.55568	1.1
149.04517	6.2
159.03004	1.4
161.04559	13.8
189.12886	4.2
203.05643	1.8
221.06749	4.3
245.47681	1.3
313.03500	2.6
328.06229	1.3
447.22214	1.5
491.09708	4.1
491.28513	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.4
59.01383	61.7
61.98830	17.6
71.01384	64.9
73.02959	19.5
77.33018	3.5
78.40088	3.1
82.95425	6.6
83.01387	10.1
85.02962	26.6
87.00896	5.0
89.02460	20.4
95.01385	3.3
99.00847	6.4
101.02453	51.7
113.02460	20.4
119.03506	5.9
120.99678	4.1
125.02443	4.5
126.13805	3.0
143.03513	4.8
144.79689	3.0
150.71054	3.3
159.03009	4.4
161.04561	31.0
171.49481	3.2
176.00136	2.9
179.05603	3.9
269.10345	29.0
431.15552	100.0
431.21506	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.37867	1.1
60.03926	1.2
60.24722	1.3
61.98828	3.2
62.01685	1.1
69.88354	2.2
69.88720	2.2
78.95908	4.4
83.92382	1.2
85.02973	1.3
85.93424	1.1
87.23284	1.1
87.43155	1.2
93.03478	2.0
127.87020	1.6
150.06693	1.2
162.83852	1.9
163.10980	1.2
171.64087	1.2
207.40172	1.1
209.11858	3.4
305.17480	4.6
328.65955	1.2
348.15903	1.2
367.21173	1.2
400.66296	1.4
447.06387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01378	100.0
60.01716	1.5
60.36650	0.7
61.69510	0.8
61.98828	7.9
71.01380	30.7
71.01781	1.5
71.33763	0.8
72.99319	1.3
73.02946	10.4
75.00864	2.0
83.01397	2.5
83.05045	1.0
85.02952	7.5
87.00879	1.9
88.98807	2.2
89.02438	31.2
94.03637	1.0
95.01397	2.3
99.00874	1.8
99.04495	1.3
99.92591	1.2
100.93315	1.3
101.02444	20.5
103.00356	0.8
103.01487	2.1
103.96925	0.8
113.02450	15.0
113.80491	0.8
115.92085	2.3
116.92861	7.6
119.03520	13.3
122.06177	1.8
125.02422	1.2
131.03529	3.0
131.04639	0.8
133.02968	1.6
134.03697	1.9
134.06125	1.2
143.03514	3.5
145.06572	1.6
147.04497	1.1
149.02475	3.5
149.04576	2.2
149.05959	1.1
150.03197	4.6
152.07167	3.5
159.02885	0.9
160.01707	1.2
161.04518	10.9
163.11261	2.0
164.04852	1.0
165.05574	6.1
175.03969	1.6
176.04739	1.6
178.02684	1.1
179.05605	11.6
191.07111	1.1
192.06703	3.9
193.05022	2.5
195.06639	2.4
235.06120	5.4
269.17566	4.3
299.12912	2.4
331.14182	0.9
357.14441	5.1
413.21869	1.3
431.22964	13.6
449.23752	1.8
474.28522	1.1
491.19266	6.9
492.19946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2662
Annotation	Mucronine B
Peak:m/z	Relative Intensity
54.52039	0.8
57.20234	0.7
59.01358	1.1
61.98826	1.0
64.79633	0.8
70.94667	1.1
71.02496	4.1
81.56268	0.8
83.45921	0.7
87.51716	0.7
99.01974	1.3
110.03618	1.0
115.08769	11.7
116.05054	2.5
118.06647	3.0
125.07191	3.3
126.05608	1.0
141.06723	3.8
146.06100	8.6
152.08205	1.0
163.08813	0.9
168.07797	1.2
170.09354	3.0
173.07133	1.1
179.11905	3.5
189.40623	0.8
194.13049	1.0
200.10829	1.5
214.15672	4.2
227.11852	3.6
228.10265	3.3
240.07761	1.3
240.13464	1.4
245.12895	3.2
262.15601	4.1
326.18723	4.5
344.19772	2.4
490.92285	0.8
491.26627	100.0
492.26981	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37302	18.5
50.82339	22.6
55.10912	20.1
61.98824	34.9
62.44520	17.2
65.88064	16.0
67.19063	20.3
69.07498	100.0
69.07912	29.3
69.53664	21.1
75.64395	17.9
89.53410	18.1
197.90260	23.2
201.14105	19.6
347.04337	24.5
352.95746	19.9
358.34915	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2859
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01867	0.6
57.03447	1.4
59.01379	6.4
67.52901	0.2
69.64172	0.6
69.64520	0.4
71.01376	5.3
71.05013	0.3
73.02946	1.6
83.01368	0.9
83.05011	0.5
85.02943	3.3
87.00875	0.2
87.50244	0.2
89.02451	1.6
95.01369	0.7
97.06577	0.4
98.22530	0.5
99.00861	0.8
99.08170	1.2
101.02448	2.9
113.02455	1.3
119.03496	0.3
119.36810	0.2
120.69701	0.2
125.09714	1.6
127.11291	2.1
129.01947	0.3
129.09213	0.5
139.11279	1.6
140.65915	0.2
141.07132	0.2
141.09178	0.2
155.10764	0.2
155.14482	1.1
156.51880	0.2
157.70137	0.2
163.11272	0.4
165.12804	0.4
165.54810	0.2
167.14412	1.1
171.10265	6.7
181.12369	0.4
183.13940	2.0
184.72408	0.2
185.11807	0.5
193.12306	0.8
195.13808	0.4
197.11713	0.3
199.13329	0.4
201.14983	0.6
209.11841	1.5
211.13393	14.0
212.13606	0.3
213.14902	0.4
229.14427	36.9
230.14806	1.0
249.22069	0.3
293.21219	4.3
311.22272	4.2
313.23782	2.2
329.23306	18.5
330.23669	0.6
333.74084	0.2
373.19107	0.3
391.19748	2.8
473.27725	0.8
491.28601	100.0
492.29007	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15733	0.3
57.03461	0.3
58.30415	0.4
59.01382	3.8
61.98830	100.0
69.34439	1.3
71.01374	0.4
75.00882	1.4
85.02942	0.7
111.68760	0.3
113.02455	0.5
139.73505	0.3
147.15150	0.3
175.04048	0.4
207.07677	0.3
245.05000	0.4
323.02094	0.3
338.37408	0.3
429.21027	0.4
492.21466	0.4
492.28952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11987	4.5
58.41968	4.1
59.01379	71.8
61.98822	4.4
62.40120	4.3
69.03451	7.9
69.99145	7.9
69.99475	8.9
71.01376	50.6
73.02934	7.3
81.03461	5.5
89.02436	80.7
90.95921	4.8
97.02943	10.9
99.00860	16.3
101.02438	15.8
113.02435	12.7
115.03942	5.0
124.01660	21.2
125.02460	41.6
131.03494	10.2
139.04031	12.5
142.21291	4.7
147.06610	9.2
149.04501	8.3
163.76332	4.9
191.05711	7.5
233.06677	24.6
293.08783	100.0
433.13583	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	55.1
67.97839	1.9
69.67383	4.5
69.67760	4.2
71.01372	15.2
73.02929	5.3
77.67715	2.0
81.32262	1.8
85.02964	7.7
89.02448	3.4
97.84503	1.9
101.02445	10.5
108.02174	100.0
109.02963	31.2
113.02454	7.5
123.04498	3.3
130.08739	41.7
131.09100	12.4
134.04729	3.3
143.03444	2.4
151.03987	8.2
153.01953	4.7
153.05775	2.4
159.02913	2.0
161.04562	41.1
163.03983	3.6
164.90569	1.9
193.53375	2.2
243.89847	1.9
249.79025	2.0
271.08228	87.2
272.08426	4.0
351.08630	2.4
373.07730	2.2
395.17990	2.3
433.13171	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34641	1.0
57.03453	2.4
57.03723	0.8
59.01381	100.0
60.88147	0.9
61.98838	3.9
69.56438	3.2
71.01378	11.8
71.89715	0.9
73.02947	4.3
83.01385	2.0
84.95126	2.5
85.02943	6.9
87.00874	4.0
89.02454	2.9
90.48949	1.0
92.05061	5.1
99.00861	1.3
99.76181	1.0
101.02438	8.5
113.02460	4.2
113.85574	1.0
116.92861	1.3
119.03534	1.1
128.03546	11.4
134.78186	0.9
136.04044	8.3
161.04594	2.8
161.94049	0.9
185.07230	4.1
192.71933	1.0
203.08418	1.3
209.15491	2.2
234.66635	0.9
265.08304	15.9
265.11096	1.5
265.12265	1.0
281.14084	1.0
353.19650	4.6
371.20706	10.5
405.19421	2.0
413.21756	15.2
493.22025	1.1
493.29941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45976	3.2
61.98828	4.8
78.95898	36.8
85.02903	3.0
86.10226	2.5
96.49789	2.5
110.98536	20.6
115.39999	2.8
119.40138	2.7
121.02958	6.8
122.03740	3.3
167.01134	27.5
167.14415	5.9
185.02237	4.9
193.15982	5.2
207.17506	4.2
249.18579	38.3
275.16589	23.9
281.21127	6.5
293.17566	85.5
294.17743	5.8
307.19131	4.9
325.16278	6.4
325.20145	100.0
326.20319	3.0
493.21964	79.5
493.28287	4.6
494.22354	4.8
517.76196	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2301
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
51.99046	1.6
55.01869	1.6
58.02965	9.9
59.01083	2.2
59.01376	43.6
61.98828	21.8
69.64089	5.1
71.01383	20.8
72.00909	3.3
73.02946	5.4
73.03680	3.2
73.04070	43.2
74.02477	40.5
82.06622	6.9
83.01367	2.3
85.02947	7.8
85.04033	1.9
85.30151	1.8
86.02471	8.4
89.02447	21.4
97.04074	14.1
98.02477	5.4
99.05689	1.9
101.02440	13.9
104.03540	22.7
109.04063	2.1
112.02779	4.4
113.02419	9.2
115.05130	73.1
116.03567	1.9
116.05047	3.5
119.03520	6.8
127.05151	4.0
130.08733	6.4
131.05031	3.4
139.08781	2.4
140.07179	3.3
140.87000	1.7
141.10356	7.4
143.11887	5.5
145.06201	5.1
146.06100	5.9
148.07668	2.1
153.10342	8.2
155.11908	7.4
161.04553	5.2
161.08458	2.0
167.08255	3.2
169.09784	7.1
171.11386	2.2
179.05602	3.7
181.09813	3.5
186.05539	4.5
187.10849	10.3
198.12552	2.4
214.12383	4.4
216.13905	2.6
217.11938	2.0
232.10901	2.7
242.11896	17.9
244.10881	2.7
245.09454	3.5
255.15120	2.7
267.15140	1.9
271.19022	3.9
273.16064	14.2
277.15549	2.6
285.16071	22.1
302.18649	6.2
303.17010	3.7
323.99084	1.7
334.17892	1.9
376.18781	5.2
401.22076	8.6
406.19800	6.0
433.20203	14.0
433.24432	26.4
445.20853	7.6
463.22021	66.7
464.21970	5.3
471.66586	2.0
475.21878	19.2
493.23044	100.0
494.23132	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
59.01377	100.0
61.98825	2.7
70.24998	2.7
71.01381	37.2
73.02948	3.4
83.01384	1.4
85.02956	6.0
86.35050	1.2
87.00860	1.6
89.02441	56.7
95.01402	2.4
101.02444	21.0
113.02447	20.5
119.03497	23.0
124.53253	1.2
125.02409	1.1
131.03522	2.4
143.03552	5.5
149.04558	1.4
161.04510	11.8
179.05615	30.8
271.19177	1.9
305.73911	1.2
421.41595	1.2
433.24420	21.1
434.24619	1.7
436.79517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03444	2.4
59.01378	100.0
61.98826	11.6
71.01380	41.9
71.01780	1.5
72.99314	1.0
73.02953	6.7
75.00865	1.1
76.50761	0.9
83.01384	2.9
85.02942	11.7
87.00876	3.2
87.04528	3.8
89.02438	47.4
95.01390	2.6
99.00896	1.3
99.92546	1.0
101.02441	29.7
113.02451	22.2
114.25930	1.1
116.92840	3.1
119.03502	19.5
125.02464	1.1
131.03497	2.9
143.03487	6.0
149.04552	2.2
155.10777	1.7
159.02956	1.4
159.10260	4.1
161.04558	15.3
165.32523	1.0
179.05603	16.7
181.39000	1.0
199.09810	2.1
201.14874	1.5
239.82234	0.9
271.19113	7.5
279.55096	0.9
321.15524	4.3
345.19083	1.2
363.20285	4.3
433.24420	52.4
434.24707	1.4
451.32709	7.2
477.44611	1.0
493.22757	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20802	0.9
54.71563	0.9
55.01883	1.3
57.03455	1.7
59.01377	100.0
61.98829	3.1
69.34455	2.9
69.34853	1.4
71.01378	45.0
72.99321	1.2
73.02950	4.9
82.31306	1.0
82.35043	0.9
83.01383	2.5
85.02950	10.7
87.00872	3.6
87.04492	1.9
89.02440	55.1
91.87337	1.0
95.01372	2.7
101.01786	1.8
101.02441	31.1
103.99827	1.0
113.02441	19.3
116.92844	3.4
119.03504	24.4
121.02940	1.3
125.02438	3.5
131.03487	2.2
137.30640	1.0
137.53983	1.0
143.03485	5.6
149.04553	2.7
149.45319	1.0
161.04536	11.0
175.93527	1.0
179.05609	32.9
209.08128	1.2
251.09137	1.5
265.08240	1.1
271.19141	1.7
433.24377	42.9
434.24533	3.0
493.22818	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	1.8
59.01381	10.1
61.98827	100.0
71.01385	4.9
71.02447	0.5
72.00921	1.0
73.02952	1.6
73.04073	8.6
74.02470	7.9
78.91889	0.5
82.06607	0.9
85.02957	1.9
85.04069	0.5
86.02473	2.5
89.02446	4.8
96.96029	0.7
97.04069	3.5
98.02461	0.7
101.02451	3.1
104.03540	5.0
105.03854	0.7
112.02795	0.7
113.02473	1.8
115.05132	17.7
115.05938	1.1
119.03493	1.6
127.05139	1.6
130.08734	1.1
140.07095	0.7
141.10368	1.4
143.11926	0.9
145.06187	1.2
146.06129	0.7
153.10359	1.4
154.10655	0.5
155.11914	1.6
161.04564	1.9
167.08267	0.9
169.09886	1.1
172.07745	0.6
179.05649	1.2
186.05586	0.8
187.10918	1.7
195.93042	0.5
198.12663	0.8
209.11803	1.4
232.10786	0.6
242.11870	2.2
243.12250	2.0
262.12048	0.8
268.03754	10.9
269.04529	3.4
273.16141	1.5
274.16446	0.9
285.16034	3.1
286.16400	1.4
302.18723	0.6
314.18796	0.5
376.19012	0.9
377.19464	0.6
401.21765	0.9
402.22076	1.7
407.20221	1.0
431.09875	12.6
433.25348	5.4
434.20874	2.5
434.25070	2.6
446.21283	1.6
463.21976	6.9
464.22305	10.9
475.22473	1.1
476.22385	3.8
493.22971	8.1
493.29068	0.8
494.23370	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.37167	0.5
61.98834	1.0
62.27844	0.5
71.30695	0.8
73.71886	0.8
80.43335	0.5
81.03462	1.6
83.05026	6.9
125.07206	0.8
128.68065	0.6
142.39250	0.7
207.15025	1.1
218.53734	0.6
224.17690	1.7
225.16093	6.8
242.18835	0.8
324.26385	1.3
333.22809	1.1
433.31735	4.4
451.32892	100.0
452.33185	6.8
494.33591	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82493	0.6
57.03449	0.8
59.01372	1.9
61.98832	3.0
69.68353	1.8
71.01354	0.6
71.05031	5.1
72.57668	0.6
73.02941	2.6
73.26308	0.7
81.03432	1.0
83.05019	0.9
85.02944	0.9
88.98807	0.8
95.05027	5.4
96.96065	0.8
97.06583	0.8
98.21796	0.7
111.04509	1.5
113.05348	1.3
113.06091	18.9
120.77035	0.7
121.06604	2.1
123.08184	2.9
129.78470	0.6
130.74541	0.6
139.07690	4.1
169.10150	1.3
174.52283	0.6
187.11259	1.0
199.11296	1.0
211.90276	0.6
217.12367	4.7
222.53403	0.6
253.14656	1.0
297.13440	100.0
298.13626	4.0
339.14359	0.7
495.16388	8.9
496.16962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77947	2.2
59.01376	31.4
61.98830	49.2
69.28532	13.9
71.01375	12.8
73.02947	3.7
74.26674	2.5
75.10521	2.1
85.02940	6.2
87.00867	3.4
89.02444	11.1
97.82202	2.9
99.00856	3.6
100.55907	2.6
101.02420	13.1
108.02164	14.4
109.02979	20.2
113.02467	6.4
116.92913	2.8
119.03500	3.0
120.99649	2.8
123.00880	2.6
124.01672	5.2
137.02449	4.8
138.03253	3.8
139.03989	7.6
151.00346	15.1
152.01117	16.2
153.01945	14.1
153.05466	3.8
160.01686	2.9
161.02423	5.8
161.04552	4.6
163.04057	2.5
166.02689	38.0
167.03534	4.4
173.02428	4.5
177.05482	3.1
181.05046	35.3
183.02905	4.5
188.04639	2.7
190.06317	5.7
205.08719	3.7
215.12915	6.3
269.04663	5.8
272.97308	2.5
273.20676	6.8
284.06940	4.5
297.03937	16.9
299.09338	3.5
312.06454	16.2
326.94946	2.6
327.08752	43.0
342.11099	54.8
343.11377	3.6
357.13391	100.0
358.13791	5.2
375.14417	31.8
402.12891	3.0
405.15536	69.0
406.16010	2.8
417.15414	12.1
435.25989	17.0
447.48431	2.5
495.11230	34.4
495.18735	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64907	1.5
53.89822	1.6
57.03448	7.8
59.01381	100.0
59.91842	1.7
61.98835	23.9
63.40835	1.5
69.03452	7.1
70.42303	2.5
70.42643	2.3
71.01381	51.7
71.05035	2.1
72.85117	1.5
72.86449	1.8
72.99313	3.8
73.02966	4.6
74.29591	1.7
75.76557	1.5
78.91899	3.1
80.46484	1.7
83.01377	2.4
83.05036	2.8
85.02956	15.9
87.00870	7.6
89.02445	68.8
92.60045	1.9
95.01395	6.7
96.96009	15.2
97.02962	3.5
99.00906	3.1
101.02452	10.3
111.00877	6.4
113.02455	60.1
119.03493	5.3
119.12733	1.7
123.00887	3.6
129.38602	1.7
131.03513	15.5
133.05089	3.5
137.38403	1.7
141.01945	25.4
143.10777	4.6
149.04562	30.6
154.06239	3.6
159.02943	1.7
160.01675	6.1
161.04556	3.1
167.03578	2.9
171.10255	3.5
175.04010	9.3
193.05046	3.6
197.11841	5.8
264.21313	1.8
269.28638	1.9
285.13486	2.4
291.07254	27.8
303.14374	2.3
389.14288	2.0
435.24918	2.2
451.22110	2.1
459.14938	10.5
495.11887	15.5
495.20435	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21072	1.3
55.01874	4.9
56.21700	1.3
57.03445	6.4
59.01380	84.9
61.98837	7.7
69.03442	3.3
69.61935	5.4
70.97645	1.7
71.01381	59.0
72.99298	4.2
73.02948	30.3
74.98608	1.4
78.24832	1.6
78.91889	64.2
78.95906	1.8
79.95734	14.5
83.01387	13.1
85.02949	31.0
87.00864	3.4
89.02454	12.2
93.03433	2.4
95.01389	4.9
96.21038	1.6
96.96018	17.5
97.02952	2.1
99.00882	8.2
101.02444	48.7
103.04033	6.0
111.00842	2.2
113.02449	22.2
119.03490	4.4
120.21223	1.3
125.02454	7.3
129.01953	2.1
131.03461	1.9
135.04492	2.2
143.03508	3.3
145.05078	2.2
147.15822	1.4
159.02980	4.2
161.04576	20.7
163.06149	4.3
179.03540	1.8
191.05571	1.7
247.08215	2.5
289.16577	49.6
289.93332	1.4
290.16867	2.2
307.10095	1.7
331.97217	1.6
346.17813	2.8
435.22360	100.0
436.22598	4.7
495.19067	27.5
495.25766	4.9
495.32794	1.9
496.19122	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43387	0.6
59.01382	0.8
61.98830	100.0
74.64243	0.6
96.96016	0.7
102.90898	0.5
124.60132	0.5
127.67169	0.5
162.18092	0.5
292.96658	0.5
403.27814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
61.98830	100.0
70.67731	0.9
71.01399	0.9
74.17568	0.4
85.02988	0.6
89.58647	0.4
91.37027	0.4
96.96011	0.8
128.61269	0.5
133.02960	1.0
134.03743	21.4
135.04543	8.4
148.05298	2.1
149.06082	13.8
150.10866	0.5
160.01686	0.8
161.06232	0.4
175.04070	1.3
190.05074	1.0
191.05765	0.5
204.06697	2.3
247.10973	1.8
287.14230	0.7
304.16687	1.3
315.98056	0.5
330.14709	1.5
331.15500	2.5
346.17715	12.7
347.18387	0.5
411.13223	0.8
452.19843	0.5
496.24594	13.2
496.31635	0.9
497.25006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
61.98830	100.0
70.67731	0.9
71.01399	0.9
74.17568	0.4
85.02988	0.6
89.58647	0.4
91.37027	0.4
96.96011	0.8
128.61269	0.5
133.02960	1.0
134.03743	21.4
135.04543	8.4
148.05298	2.1
149.06082	13.8
150.10866	0.5
160.01686	0.8
161.06232	0.4
175.04070	1.3
190.05074	1.0
191.05765	0.5
204.06697	2.3
247.10973	1.8
287.14230	0.7
304.16687	1.3
315.98056	0.5
330.14709	1.5
331.15500	2.5
346.17715	12.7
347.18387	0.5
411.13223	0.8
452.19843	0.5
496.24594	13.2
496.31635	0.9
497.25006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98829	100.0
69.27042	1.4
70.39560	0.2
71.01399	0.4
85.02935	0.4
101.25004	0.2
107.05017	0.3
109.85549	0.3
119.05056	0.3
133.02960	1.1
134.03741	23.1
135.04529	9.2
147.04507	0.5
148.05307	2.6
149.06078	16.5
160.01640	0.6
161.02434	0.4
161.06065	0.9
162.03310	0.3
162.06821	0.3
175.02721	0.4
175.04047	1.0
176.03575	0.6
178.05046	0.4
190.05109	1.0
204.06604	1.9
209.34480	0.3
218.08424	0.3
222.65813	0.2
247.10933	1.8
249.12621	0.3
261.12427	0.9
272.89514	0.3
275.14124	0.3
287.14041	0.9
304.16641	1.7
305.17371	0.8
320.19937	0.5
330.14572	2.7
331.15350	2.7
332.15988	0.4
346.17703	17.5
347.18124	0.8
480.21597	0.4
496.24567	15.5
497.25168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56790	0.4
59.01369	0.5
61.72157	0.4
61.98831	14.9
70.43228	0.4
71.01392	0.4
72.95314	0.4
73.79562	0.4
75.39616	0.4
75.87045	0.4
77.05118	0.4
84.93964	0.4
85.02937	0.5
105.03469	0.7
107.05042	0.9
109.02968	0.4
111.00872	0.5
113.35284	0.4
119.05017	1.0
133.02953	3.9
134.03740	100.0
135.04532	40.9
135.05614	0.7
136.04863	0.8
147.04530	2.0
148.05304	10.1
149.06079	68.6
150.06439	1.3
160.01675	2.6
160.05284	0.7
161.02405	1.4
161.06036	2.1
162.03255	1.0
167.22168	0.4
175.02699	1.3
175.04007	4.3
176.03554	3.4
178.05058	1.0
190.05064	4.3
203.05927	0.5
204.06667	9.4
205.07333	0.4
218.08221	1.9
232.09824	0.6
233.09329	1.2
247.10864	8.3
259.10922	0.5
260.11670	0.5
261.12433	4.4
275.13983	2.3
287.13934	2.6
288.14764	1.8
296.10699	0.4
302.14954	0.6
303.17203	0.7
304.16650	6.3
305.17462	3.3
306.18399	0.4
318.18314	0.6
320.19562	2.1
330.10721	0.6
330.14551	9.3
331.15372	14.2
332.16006	1.2
346.17697	68.7
347.18115	2.6
480.21396	1.4
481.22214	0.8
496.24539	62.8
497.24976	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92392	0.3
59.01392	0.9
68.44470	0.3
69.37784	0.4
69.38193	0.9
77.19824	0.3
85.81664	0.3
196.48566	0.3
206.50433	0.3
222.06906	0.3
232.03043	0.3
232.05321	0.5
233.06091	0.4
235.07544	0.4
248.04625	0.6
249.05542	5.6
249.07970	0.4
250.06349	1.4
260.04715	0.4
261.05530	1.4
262.06375	0.5
263.03552	0.3
263.07144	0.9
265.04926	0.3
275.03403	0.4
276.04208	0.9
277.05035	15.2
278.05725	0.9
289.04919	1.4
290.05847	0.8
291.03445	0.5
291.06558	2.5
293.04587	1.0
293.07996	0.5
303.03073	0.6
305.04544	12.5
306.05219	2.9
319.06183	1.1
320.03342	0.5
321.04019	3.0
321.07742	0.6
322.04767	5.6
323.05475	0.3
349.03546	2.3
350.04294	67.3
351.04553	2.3
365.06628	100.0
366.07007	4.6
497.10806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55450	0.4
59.01377	8.6
61.98830	3.1
71.01382	2.6
71.43565	0.4
72.99313	0.7
73.02953	0.5
80.91676	0.5
82.95420	0.8
85.02949	1.1
89.02447	1.1
93.03452	0.5
100.52843	0.4
101.02469	1.2
113.02451	1.0
114.94273	0.5
117.01871	0.6
119.03527	0.6
123.00877	0.5
171.10155	0.4
205.12286	0.4
211.13380	1.1
215.05070	1.7
217.06523	5.0
219.08014	0.6
221.06094	0.5
223.07793	0.7
233.06046	2.3
234.06815	1.0
235.07651	2.5
243.04543	6.4
244.05168	1.0
245.06076	10.1
246.06689	1.3
247.07669	0.7
248.04774	1.5
261.05524	4.2
262.06354	5.7
263.07111	9.6
273.05630	2.6
274.06345	4.9
276.04227	0.6
289.05267	0.6
290.05835	7.3
291.06631	38.6
292.06961	1.9
329.23389	1.2
335.05591	100.0
336.05878	3.4
347.33273	0.5
470.31589	0.4
497.10910	6.9
497.26068	1.8
519.88843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.9
59.53469	0.2
61.98827	2.5
71.01383	2.1
71.44215	0.2
72.99300	0.6
73.02925	0.8
75.00859	0.3
78.95882	0.3
80.91669	0.3
82.95381	0.9
83.01369	0.4
85.02937	1.0
87.00923	0.3
89.02415	0.9
95.01387	0.3
96.95974	0.4
101.02444	0.7
113.02399	0.8
116.92846	0.3
123.00883	0.7
123.17966	0.3
146.41956	0.3
153.43091	0.3
161.00975	0.3
171.10242	0.6
189.07059	0.3
193.06540	0.3
207.08150	0.6
211.13387	1.1
215.05000	1.2
217.06586	4.9
218.07239	0.3
219.08040	0.3
220.05199	0.5
223.07681	0.7
229.14395	0.6
232.05307	0.6
233.06065	3.1
234.06799	0.8
235.07596	2.6
243.04497	6.8
244.05165	0.7
245.06070	10.4
246.06671	1.2
247.07593	0.3
248.04712	0.6
249.05493	0.4
261.05508	4.8
262.06357	6.3
263.07114	9.1
264.07312	0.4
273.05548	2.8
274.06393	4.7
276.04181	0.6
289.05005	0.8
290.05823	6.6
291.06622	37.2
292.06998	1.4
305.04483	0.3
306.05347	0.4
329.23331	1.3
334.04932	0.5
335.05600	100.0
336.05948	3.7
389.62692	0.3
497.10904	7.6
497.26804	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
59.01379	3.8
61.98821	1.4
69.69895	0.7
71.01376	0.8
73.02941	0.5
74.82291	0.3
78.91869	0.6
79.18346	0.2
85.02934	0.6
89.02447	0.7
90.85432	0.2
91.77508	0.2
93.03466	0.2
101.02448	0.7
113.02426	0.6
123.00870	1.3
178.27690	0.2
193.06575	0.3
201.07039	0.2
207.08130	0.8
211.13304	0.3
215.05035	0.8
217.06548	3.6
218.07086	0.3
219.04498	0.4
219.08136	0.4
220.05289	0.5
223.07599	0.4
233.06003	2.6
234.06837	0.9
235.07596	2.5
243.04474	5.5
244.05118	0.6
245.06055	9.5
246.06688	1.2
247.04134	0.3
247.07503	0.3
248.04712	1.5
261.05536	3.8
262.06335	6.0
263.07101	7.6
265.05051	0.4
273.05548	2.7
274.06339	4.0
275.06787	0.2
276.04248	0.6
289.05112	1.6
290.05844	6.9
291.06622	33.6
292.06851	1.2
305.04416	0.6
333.49863	0.2
335.05588	100.0
336.05917	3.9
437.21909	0.3
496.25299	0.4
497.10910	5.6
497.23987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1299
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
53.47888	0.7
57.03431	0.9
59.01379	8.5
69.55383	2.6
71.01370	3.6
73.52280	0.8
81.03452	2.1
83.01365	1.8
85.02954	9.8
89.02431	2.3
93.03493	1.3
95.01404	1.1
97.02941	3.1
101.02447	2.4
107.01388	1.7
107.05007	1.6
108.02173	14.1
109.02953	63.3
110.03335	1.1
111.00892	6.9
113.02396	1.2
121.02915	1.0
123.00876	1.6
123.04456	1.1
124.01651	1.8
125.02465	1.1
135.00871	2.5
135.04504	2.2
137.02466	4.0
151.04041	2.1
152.01175	6.0
153.01938	46.6
154.02269	1.0
159.04486	0.9
161.67374	0.8
163.04042	1.3
175.04016	2.8
177.05565	2.3
181.05022	1.3
193.05049	2.8
209.09750	0.8
221.04538	28.3
247.57062	0.7
335.07715	10.1
497.13000	100.0
498.13275	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06581	16.2
59.01363	20.6
59.62806	11.5
61.98835	20.1
70.43008	13.0
71.01375	14.9
85.02944	15.6
89.90176	13.0
96.95984	26.4
160.03998	22.1
201.46446	12.7
206.94664	12.9
251.02213	14.7
274.25406	13.9
279.58810	16.5
297.13519	70.2
299.11316	59.7
346.63776	13.6
393.91324	13.3
497.14023	100.0
520.62262	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28612	0.8
57.03447	1.4
58.61304	0.8
59.01380	17.7
61.98838	4.1
65.00329	1.2
69.03430	0.8
70.07446	0.8
70.18155	1.8
71.01363	2.3
73.02930	1.2
81.03450	5.3
83.01375	1.7
83.27190	1.0
85.02936	1.7
89.02446	1.5
93.03449	1.9
95.05032	2.5
96.96024	2.1
97.02925	1.2
99.04535	1.9
99.42294	0.9
101.02442	1.4
103.01965	0.8
105.03452	4.3
107.01395	1.6
109.02951	2.0
113.02509	1.1
116.92846	0.9
119.03508	0.9
119.05032	2.1
121.02988	4.9
123.04533	6.1
125.02454	6.5
125.06104	1.8
129.03442	0.9
131.01390	4.8
135.04527	3.2
137.02440	3.4
145.02927	2.2
147.04515	6.0
148.01663	1.1
149.02444	100.0
150.02878	1.0
151.04012	3.3
161.02371	1.4
163.04027	4.8
164.01143	8.7
165.01889	1.8
165.05608	1.1
167.03516	11.8
171.04434	0.7
171.10207	0.8
173.02458	2.4
174.03116	1.1
175.00377	11.5
175.03976	0.8
177.01930	1.7
177.05527	0.9
179.03490	17.6
181.05086	3.8
188.60733	0.9
190.02802	1.3
191.03496	39.4
192.03894	1.0
193.01472	1.9
193.04932	1.2
202.72952	0.7
203.03511	1.9
208.73997	0.8
209.04561	1.2
215.03413	1.5
217.01398	2.6
221.04498	2.2
233.04582	3.5
233.63263	0.9
235.02605	0.9
251.05606	9.5
275.09250	41.6
276.09659	1.9
287.09247	1.0
293.06732	1.6
293.10202	1.6
305.10172	2.6
311.07715	20.2
317.10291	19.4
318.10776	1.5
347.11023	1.0
371.09784	5.0
377.12366	2.2
380.79727	0.8
437.14542	15.5
497.17078	2.4
497.27115	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87929	29.1
54.97705	27.4
59.01373	75.3
61.98807	50.4
69.51925	57.9
69.52306	98.5
78.95886	36.0
94.63298	29.1
94.63907	31.1
108.67859	28.4
125.87315	32.6
171.10278	37.3
223.28233	26.9
329.23447	59.8
332.09616	33.9
497.25204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92650	1.4
55.01888	1.7
59.01354	2.2
61.98784	2.4
63.17833	1.6
66.75832	1.4
71.05003	9.5
74.66240	1.7
75.03281	1.7
78.95900	24.4
83.04990	2.0
96.97002	2.1
145.68661	1.4
152.99583	39.0
171.00659	1.5
176.23059	1.6
197.19133	21.3
223.20638	9.6
225.22220	30.6
226.22672	2.2
227.03273	6.7
229.66891	1.6
248.74535	1.5
251.20117	4.7
269.21210	89.0
270.21585	4.8
298.09164	1.5
311.37274	1.7
452.01617	1.6
497.25198	100.0
497.37122	3.6
498.25699	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98842	0.4
69.15800	2.2
71.44608	0.4
95.94027	0.4
104.11127	0.4
115.91971	0.5
116.92861	2.8
118.89961	1.6
119.90806	0.5
134.89453	1.3
135.90179	0.8
137.07214	4.0
152.05978	0.7
157.37614	0.5
163.08730	3.9
164.09584	1.4
175.08746	0.6
179.11896	100.0
180.12260	2.2
191.05719	0.6
196.08714	0.5
223.10834	0.6
228.90790	0.4
260.16312	0.5
264.20795	0.5
277.68585	0.4
292.20309	26.8
293.20779	1.7
318.18228	1.6
319.02557	0.8
334.04572	0.5
336.19275	79.4
337.19571	3.4
349.07187	1.7
438.97052	0.6
453.99136	0.6
467.96790	0.8
497.98251	0.9
498.24826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1224
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
50.61227	12.6
59.01376	81.7
64.45631	12.0
67.89594	12.6
71.01370	65.8
77.79292	12.4
82.95467	12.3
85.02941	57.6
89.02450	47.9
93.34417	13.1
96.96013	23.6
101.02402	21.0
113.02462	16.0
119.05026	23.5
120.70891	12.8
125.02410	30.3
125.98794	11.4
155.03481	14.3
167.72752	14.5
191.01994	39.6
191.05577	22.2
217.00293	18.6
233.06697	17.1
259.01205	14.1
267.05695	12.6
293.08862	100.0
294.32245	14.6
337.05609	20.2
439.07883	25.0
463.14484	51.0
481.01624	18.9
499.12442	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03445	12.9
59.01381	13.9
61.98821	4.0
69.99890	0.4
70.00223	1.1
71.01382	4.1
72.00550	0.4
72.99299	1.6
73.02932	1.1
75.00878	1.5
80.96524	0.7
83.01385	1.8
84.02158	1.7
85.02950	100.0
86.03289	1.2
87.00878	1.6
88.04045	0.5
89.02434	1.4
96.96021	1.0
99.00882	0.6
101.02441	1.7
103.00365	1.8
105.14306	0.4
111.00867	0.8
113.02454	0.9
115.00372	0.8
115.52543	0.4
115.92052	0.5
116.92910	0.4
119.03584	0.5
121.43911	0.4
128.03571	0.6
128.90150	0.6
129.01949	10.7
130.08754	6.8
132.59489	0.4
133.02974	1.5
134.03752	3.0
135.04535	1.2
135.29063	0.4
141.01604	0.5
147.03000	11.5
162.05557	0.5
173.00909	2.1
179.03639	0.7
191.01976	33.7
204.06647	2.6
205.03535	0.5
205.07037	2.1
209.11934	2.3
227.12799	0.4
231.10046	0.5
289.12827	0.5
295.19080	1.2
307.11914	1.1
439.23352	1.8
457.24051	0.5
463.21948	1.2
499.13342	0.7
499.20361	1.9
500.25177	4.8
507.39764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73540	0.4
53.35876	0.5
55.01875	2.7
56.91917	0.5
57.03447	13.2
59.01377	10.8
61.98812	0.5
69.13244	2.6
71.01377	6.0
72.99307	1.8
73.02936	1.9
75.00865	1.7
83.01387	1.7
84.02145	2.0
85.02948	100.0
86.03294	0.7
87.00869	1.3
89.02445	1.7
95.02987	0.4
96.96008	0.6
97.02927	0.5
97.66711	0.4
99.00861	1.0
101.02448	3.6
103.00377	1.4
111.00874	0.7
113.02460	1.6
115.00400	0.9
129.01936	10.6
130.08728	3.1
134.03751	3.7
135.04459	0.8
144.03032	1.0
147.02995	12.0
147.06633	2.8
161.04567	0.9
173.00896	2.0
191.01967	34.3
205.03648	0.5
273.82123	0.4
276.13754	0.4
277.14420	0.7
307.12085	0.8
307.17621	1.2
337.07172	1.0
439.21774	7.7
449.88013	0.4
481.13968	0.6
499.14474	1.9
500.25140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65437	0.5
59.01370	2.0
62.44876	0.5
69.43269	1.8
71.01376	1.3
79.95705	0.7
84.08379	0.5
85.02941	3.0
85.95978	0.5
87.00878	0.7
87.05637	0.6
89.02457	1.1
93.03446	0.5
93.10166	0.5
96.96017	2.8
113.02441	1.0
116.92892	0.6
128.03526	0.6
135.04533	1.1
145.02928	5.3
147.04549	3.4
157.02946	0.7
158.03705	1.1
159.04468	1.6
171.04597	0.7
173.02440	27.6
174.03212	100.0
175.03995	36.7
176.04396	1.0
185.06026	0.7
186.03062	0.8
187.03990	8.9
191.05591	0.9
199.03905	0.9
217.05162	0.8
229.05034	1.3
241.05128	0.6
323.45596	0.5
327.72330	0.6
337.09286	58.7
338.09497	1.6
412.05981	0.6
437.66470	0.6
451.66010	0.5
499.14572	38.6
500.14926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06739	0.6
59.01376	3.6
59.22311	0.7
60.70795	0.9
65.66087	0.7
71.01386	2.1
71.18949	1.0
80.05914	0.7
85.02937	4.8
87.00865	0.8
89.02422	1.5
96.96015	2.2
101.02428	1.4
101.03990	0.9
111.00842	0.9
122.12505	0.7
123.04605	0.8
125.02524	0.8
145.02914	4.7
147.03320	0.8
147.04468	3.7
150.81343	0.8
157.02994	1.6
158.03703	0.9
159.04562	2.1
161.02458	1.0
167.03511	2.0
171.04532	1.4
173.02455	28.6
174.03229	100.0
175.04002	38.0
186.03152	1.1
187.04030	10.8
191.01973	1.9
191.05664	1.2
209.03062	1.8
229.05058	1.8
315.10443	0.8
330.28647	0.7
337.09311	58.5
338.09705	1.6
499.14624	38.8
500.14697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48373	4.3
53.93876	4.3
57.03434	7.1
59.01378	53.7
61.98820	31.5
69.25735	5.3
71.01372	25.8
72.99296	5.7
73.02949	5.6
74.02481	12.9
82.95412	100.0
85.02950	39.1
89.02431	7.0
96.96001	5.1
99.00880	5.7
101.02483	12.2
109.02957	4.7
116.92850	7.4
119.03459	5.4
129.01958	6.8
134.03737	8.9
139.78656	5.3
153.05542	15.2
167.03587	5.6
171.10228	5.8
191.01982	10.8
193.05112	6.7
209.03049	10.6
228.17268	5.9
302.46512	5.1
307.17471	8.8
439.22589	19.1
498.33151	15.8
499.12909	8.7
499.19724	36.1
499.33270	21.6
508.14264	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27273	1.9
57.03440	2.2
59.01380	63.3
68.19758	1.8
69.28384	10.3
71.01386	27.8
73.02946	8.8
83.01392	4.0
85.02941	9.7
89.02431	7.4
91.70522	1.9
91.98624	1.7
94.16142	2.0
98.21907	4.6
99.00812	2.2
99.04507	2.5
101.02435	12.6
113.02425	8.4
119.03488	3.3
124.64325	1.8
161.04495	3.4
167.57076	1.8
235.16997	15.8
251.16463	3.1
395.20621	7.6
413.21786	15.9
455.22836	100.0
456.23230	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01379	13.4
61.98833	20.8
69.77110	5.0
71.01373	2.6
82.95406	4.9
85.02953	9.5
87.13737	1.4
87.99108	1.3
89.02463	2.6
89.94884	1.4
96.95990	1.7
98.21949	1.8
100.04022	2.2
101.02424	4.3
102.05625	11.4
113.02449	1.7
119.05017	1.8
121.02921	4.0
123.04527	2.2
128.03542	57.2
130.08723	6.0
134.03735	1.9
135.04497	1.6
145.02939	1.9
146.04604	33.0
147.04498	6.9
148.05309	8.5
160.05313	1.8
162.03148	1.6
162.06856	2.8
172.02509	18.4
174.03175	5.6
176.04762	5.6
188.04802	2.0
191.07147	17.1
197.31906	1.5
202.02667	2.2
211.07649	1.9
215.03493	4.0
221.06165	1.7
223.07599	4.2
229.05019	2.0
235.07722	1.7
237.05563	3.1
239.07172	9.2
249.05635	3.4
250.06294	1.9
251.07173	13.3
262.06305	2.3
263.07086	5.9
264.07797	6.1
265.05069	3.0
265.08359	2.6
266.09256	3.2
267.06635	48.7
268.07269	2.7
277.05194	2.7
277.08670	2.9
278.05890	1.6
278.09412	2.1
279.06647	32.9
279.09799	2.2
280.07309	4.0
281.08090	2.4
282.08990	32.9
283.09644	2.9
290.06039	1.9
292.07425	2.3
293.04648	2.4
293.08133	4.5
294.05530	2.7
294.08902	27.0
295.06168	1.4
295.09494	3.2
297.11319	28.2
304.07260	2.9
305.04562	2.0
306.05429	1.6
307.05942	1.8
308.06833	4.4
309.07681	3.4
309.11218	4.0
310.07428	1.9
320.06979	2.0
321.07648	4.7
322.08261	1.7
323.05820	2.7
323.09183	12.1
327.12347	11.1
335.09030	7.1
337.07019	13.8
338.07553	42.4
339.08115	2.0
340.21143	2.0
341.10309	9.8
352.11841	2.0
353.10294	65.3
354.10403	2.3
362.10217	1.9
364.10843	2.3
365.12674	2.5
371.11160	2.9
380.14847	1.6
406.12762	3.1
423.13217	5.1
426.15430	2.8
438.15576	11.1
452.13452	2.4
464.13522	6.6
470.14597	24.9
482.14545	27.6
500.15610	100.0
501.15817	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03445	14.6
58.03796	2.6
59.01382	20.2
61.98822	6.6
69.27721	6.0
71.01374	8.0
72.99288	2.1
73.02950	1.7
75.00854	2.1
82.02993	2.7
83.01385	1.6
83.03643	1.5
84.02168	1.5
85.02947	59.7
86.03283	12.5
88.04028	4.1
89.02458	5.3
96.96008	2.3
99.04523	2.9
100.04035	2.7
100.93419	1.6
101.02446	3.9
102.05610	37.9
102.52848	1.5
108.02183	1.6
113.02544	1.6
116.92847	5.1
119.11127	1.6
121.02940	3.1
121.70339	1.9
123.04519	2.1
128.03545	100.0
129.01947	8.2
130.08759	8.6
145.02977	2.2
146.04599	68.5
147.03000	6.1
147.04515	11.0
147.06657	5.3
148.03340	2.2
148.05293	17.1
150.03191	3.0
151.00183	1.5
157.40112	1.5
161.06067	1.6
162.03206	1.8
162.06845	5.0
172.02533	19.2
173.02422	3.2
174.03267	8.6
176.04820	6.5
190.06418	2.0
191.01978	16.9
191.07140	19.2
192.02315	3.8
202.02690	3.5
215.03445	3.0
217.05023	1.5
221.06036	2.1
223.07541	2.9
229.05086	2.6
237.05510	4.2
239.07188	6.8
249.05464	3.8
250.06287	3.5
251.07205	8.9
261.05493	2.0
263.07217	1.9
264.07867	2.3
265.05099	5.2
265.08475	1.5
266.05789	1.9
266.09305	1.8
267.06610	52.1
268.07217	4.1
277.05225	2.9
278.05789	2.3
279.06622	22.7
279.09616	2.6
280.07275	3.8
281.08099	2.2
282.08957	40.7
283.09683	5.0
292.07172	1.6
293.04535	5.5
293.07922	3.3
294.05283	2.9
294.08936	14.7
295.06226	2.1
295.09628	4.5
297.11298	35.5
304.07205	1.7
305.04514	2.5
306.05173	2.6
307.06226	2.0
308.06873	9.3
309.07617	4.4
309.11087	3.0
321.07565	4.2
322.08246	2.1
323.05573	3.9
323.09232	36.8
324.09479	1.9
327.12378	7.2
335.09064	3.0
338.07681	2.8
341.10339	13.1
352.11920	2.0
353.10257	40.5
371.11404	4.2
406.12531	1.8
423.13159	2.7
426.15457	2.7
438.15610	6.6
452.13632	4.5
464.13632	1.7
470.14548	71.2
482.14572	17.3
500.15607	80.5
500.24854	5.3
501.15955	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44293	0.4
57.03445	1.0
58.00592	0.6
59.01379	40.1
61.98829	6.3
65.37120	0.5
66.66221	0.4
66.72370	0.4
69.31603	2.0
70.74918	0.4
71.01381	16.6
72.99276	0.5
73.02931	0.9
77.74717	0.5
83.01398	0.8
84.11865	0.4
85.02946	4.4
87.00872	0.9
88.04047	0.4
88.95692	0.5
89.02441	19.1
95.01424	0.8
96.96024	0.7
99.04517	0.6
101.02441	13.3
113.02444	8.1
117.80650	0.4
119.03497	9.1
143.03482	0.4
146.98540	0.4
147.06651	0.7
161.04538	1.0
163.03947	0.6
164.07144	2.7
179.05571	1.1
279.70355	0.4
280.91211	0.4
309.11902	100.0
310.12326	3.8
410.57349	0.4
500.25214	1.1
515.82556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70235	0.3
59.01380	1.4
61.98829	100.0
69.26907	0.7
69.27316	1.3
71.01377	1.6
72.01700	0.3
73.02949	0.8
85.02969	1.2
89.02454	0.7
96.96028	1.0
101.02470	0.8
103.02866	0.4
113.02428	0.5
161.04579	0.5
172.27560	0.3
172.95480	0.3
253.00339	0.3
305.16199	0.6
306.16507	0.9
307.16632	0.9
308.16949	0.5
368.92508	0.4
429.13577	0.9
439.21313	0.4
440.20938	1.5
500.27350	0.6
501.12262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2499
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
58.02966	0.9
58.48324	0.3
59.01380	17.6
60.01713	0.7
61.98813	0.7
69.07200	2.6
71.01379	2.4
73.02953	0.6
83.01366	0.5
85.02948	1.0
89.02451	1.7
101.02438	2.0
113.02459	1.1
119.03518	0.7
128.10796	2.6
130.08740	100.0
131.09064	1.6
143.05046	0.7
156.06664	0.9
157.42493	0.3
160.05281	0.6
161.04564	0.7
163.11305	0.8
172.09793	22.1
173.10172	0.6
183.35571	0.4
189.09218	4.3
191.05582	0.7
218.37529	0.4
299.02289	0.4
320.18686	1.9
325.49496	0.5
325.53589	0.4
339.09067	0.7
384.73193	0.4
420.22095	0.4
500.25012	63.1
501.25299	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.9
58.48324	0.3
59.01380	17.6
60.01713	0.7
61.98813	0.7
69.07200	2.6
71.01379	2.4
73.02953	0.6
83.01366	0.5
85.02948	1.0
89.02451	1.7
101.02438	2.0
113.02459	1.1
119.03518	0.7
128.10796	2.6
130.08740	100.0
131.09064	1.6
143.05046	0.7
156.06664	0.9
157.42493	0.3
160.05281	0.6
161.04564	0.7
163.11305	0.8
172.09793	22.1
173.10172	0.6
183.35571	0.4
189.09218	4.3
191.05582	0.7
218.37529	0.4
299.02289	0.4
320.18686	1.9
325.49496	0.5
325.53589	0.4
339.09067	0.7
384.73193	0.4
420.22095	0.4
500.25012	63.1
501.25299	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	94.6
69.77440	1.9
90.97163	0.5
132.98213	1.5
134.97083	0.8
157.00072	0.4
157.03566	3.3
159.01440	1.2
174.99239	25.2
187.68336	0.5
192.96194	0.5
201.02541	37.4
202.02707	1.7
215.04080	0.8
217.00285	100.0
218.00604	2.0
234.97089	0.6
249.93558	0.5
276.98291	0.8
292.96185	1.8
334.97421	0.8
338.71149	0.5
341.00317	0.5
343.03720	2.3
359.01443	68.8
360.01746	4.1
370.13120	0.5
451.04266	0.5
522.89093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	79.1
61.98813	0.9
71.01389	1.5
85.02934	1.1
87.00890	0.9
90.97093	0.9
96.96009	0.9
132.98199	2.0
133.19116	0.8
138.03210	1.1
141.00426	0.9
142.47954	0.8
155.01984	0.9
157.03571	3.4
159.01498	1.3
173.03105	1.4
174.99245	23.4
182.02177	1.6
184.88248	0.7
197.04512	2.0
199.00906	1.7
201.00885	1.2
201.02536	30.5
202.02605	1.3
203.94147	0.7
214.98766	1.3
217.00293	100.0
218.00616	1.2
343.03543	2.7
359.01468	71.2
360.01483	4.3
381.06573	1.1
441.05920	1.3
501.11365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98840	9.2
61.99115	1.5
67.01844	1.8
70.09590	3.4
71.01381	16.9
73.02936	6.4
73.89488	1.5
75.00867	3.3
78.45554	1.4
82.95403	2.7
83.01402	2.4
85.02945	11.0
87.00317	1.3
89.02451	13.8
95.01363	2.5
98.22568	1.8
101.02444	12.5
111.00876	20.8
113.02450	10.2
119.03528	4.5
119.05030	1.7
129.01944	2.3
130.08798	1.4
148.78116	1.6
154.99867	2.3
160.05286	3.1
161.04567	4.0
173.00906	10.2
173.09361	1.8
176.93214	1.6
287.25607	1.7
308.91943	1.7
321.07526	4.2
323.07809	2.6
325.41690	1.5
339.08725	6.5
380.63660	1.8
397.22186	2.8
501.13049	2.7
501.23074	2.0
501.30469	4.9
525.10120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
60.54033	0.3
61.98804	0.5
64.22784	0.3
71.01380	2.6
73.02941	0.7
83.01384	0.5
83.31406	0.3
84.06452	0.3
85.02979	0.9
89.02427	1.2
95.01350	0.4
98.22699	0.6
101.02441	1.6
106.88144	0.4
108.02155	0.3
109.02962	2.0
113.02457	1.4
115.05567	0.5
119.03477	0.6
121.02931	1.4
131.05040	1.3
132.05894	0.4
133.02988	0.4
135.61006	0.4
137.02438	15.4
139.04015	3.9
143.05016	3.4
144.04108	0.4
148.01662	1.6
149.02460	3.0
159.04512	32.2
160.05295	71.7
161.05743	2.1
165.01929	0.6
173.04736	0.4
173.06146	0.6
173.09293	0.9
174.03203	0.5
175.03946	0.8
197.88028	0.4
203.03566	1.4
204.04269	21.4
205.04779	0.4
217.05081	1.0
221.76181	0.4
295.09686	0.6
307.70413	0.4
339.08716	100.0
340.09039	5.1
380.22064	0.4
397.22287	1.2
501.14063	24.0
502.14523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.6
59.01379	100.0
60.92779	1.7
61.98827	34.3
65.91647	2.0
69.09880	4.7
69.10296	10.2
71.01379	40.0
73.02948	34.1
82.95401	4.1
83.01382	6.6
85.02950	23.8
86.03307	4.3
87.00861	2.4
88.24760	1.8
89.02446	40.1
95.01402	2.1
96.96004	5.7
99.00877	85.1
101.02428	25.3
113.02427	17.1
119.03513	3.9
125.02452	4.5
128.03528	4.7
129.01889	2.3
130.08740	66.7
131.03488	13.2
131.09097	14.7
143.03529	4.7
149.03362	2.5
149.04536	33.1
155.03453	2.8
161.04550	12.3
170.03156	2.3
173.04485	1.9
177.01981	3.4
191.01961	4.9
191.05627	41.3
193.17451	1.7
203.05632	12.3
209.11787	6.9
233.06586	6.3
265.10510	1.9
335.09882	2.1
415.16095	7.9
426.60822	2.1
457.17130	28.9
500.24930	10.2
501.18362	4.5
501.25449	51.8
502.25821	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03450	1.7
59.01379	39.1
61.98830	5.1
69.35716	3.4
71.01381	13.8
72.99292	2.0
73.02946	5.6
75.00865	1.4
78.95884	1.5
79.95744	12.1
80.81943	0.8
80.96520	12.1
82.95376	1.5
83.01382	2.0
84.95126	6.5
85.00451	0.9
85.02961	4.3
87.00863	3.6
89.02449	10.8
96.96011	58.3
97.02950	1.4
101.02454	5.7
104.23119	0.8
106.06625	4.8
109.02930	1.1
111.00883	3.5
113.02441	4.1
115.00321	1.0
118.86774	0.8
119.03490	1.4
120.96033	1.5
123.00807	1.3
124.07687	9.7
125.02359	0.7
129.01929	1.0
130.08698	3.0
131.03490	1.1
134.06125	36.2
137.02403	1.2
138.97058	3.7
149.04596	1.9
150.97020	1.4
159.04503	2.7
160.05315	4.8
161.04568	2.2
173.09265	1.4
174.05562	0.8
178.05092	27.2
179.05449	1.2
192.06660	6.9
204.04283	1.6
220.06081	7.0
280.08325	1.6
301.34872	0.9
339.08691	8.2
340.10379	33.1
341.10587	1.4
371.03030	4.5
373.04205	4.2
389.03885	10.4
424.51202	0.9
430.24026	1.0
465.18790	1.2
501.16483	100.0
502.16895	6.5
502.26474	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.21393	7.5
71.01376	20.7
71.18552	1.1
73.02938	9.9
75.49913	1.1
82.95414	12.7
83.01376	2.2
85.02947	8.9
87.00890	1.4
89.02438	12.8
90.00037	1.2
95.01402	1.6
100.74039	1.2
101.02454	12.6
109.02955	6.0
113.02448	24.6
119.03493	2.6
143.03528	1.6
159.04512	3.3
160.05284	5.1
161.04562	6.4
172.88741	1.2
179.05589	3.2
185.99088	1.3
203.03529	1.4
265.27390	1.3
272.46133	1.4
283.22125	1.3
295.09735	2.3
339.08685	27.0
340.09219	1.6
397.22321	14.7
415.23358	7.4
503.19388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22493	0.4
56.58904	0.4
59.01379	100.0
60.01725	0.4
69.42465	1.5
70.16967	0.4
70.59686	0.4
71.01385	0.9
89.02458	0.4
96.28521	0.4
101.02475	1.0
111.00873	0.4
116.92883	0.8
161.04588	0.5
208.05112	0.4
249.95644	0.4
277.93628	0.4
378.67041	0.4
381.22955	0.6
394.87283	0.4
399.23932	1.1
441.25317	0.5
477.37323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
62.60769	0.5
69.41383	2.6
71.01372	3.1
72.97690	0.6
73.02935	7.4
83.01373	2.7
89.02435	1.3
92.11111	0.6
101.02435	7.6
107.50941	0.5
112.26828	0.6
113.02444	1.4
119.03507	0.7
122.12994	0.5
128.58641	0.5
131.03564	0.9
143.03636	0.5
149.04568	1.6
161.04575	2.2
206.70032	0.6
231.07042	0.6
405.70071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18795	0.2
57.03449	0.4
59.01379	100.0
59.84808	0.2
60.01709	0.7
61.98830	1.1
65.44415	0.2
66.68015	0.2
67.01891	0.3
69.13055	0.4
69.13460	1.0
71.01382	2.4
71.48920	0.2
71.92263	0.2
73.02945	2.3
75.00881	0.3
78.30364	0.3
83.01368	0.7
85.02953	0.6
87.00852	1.1
89.02438	1.3
97.06604	0.2
99.00852	0.3
101.02441	2.8
111.00878	9.4
113.02460	1.6
115.92081	0.2
116.92872	1.0
119.03513	0.4
119.54567	0.2
127.05149	0.6
129.01947	0.3
130.08714	0.5
131.03542	0.3
131.05095	0.5
137.02444	3.8
139.04044	1.2
139.62561	0.2
143.03500	0.5
148.01665	0.7
149.02441	1.3
149.04543	0.5
158.03783	0.2
159.04507	8.3
160.05296	14.2
161.04573	1.3
161.05873	0.5
173.00926	0.8
204.04271	4.5
204.06027	0.4
212.17268	0.2
223.13347	1.8
251.08734	0.3
253.09247	0.3
295.09848	0.3
309.20651	0.3
339.08704	26.3
340.09119	1.6
441.24786	0.3
459.22266	0.6
501.14148	5.0
501.27505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24178	15.7
53.69094	13.9
59.01375	100.0
61.98829	59.6
70.03852	31.1
98.21949	19.1
118.73325	17.9
121.02922	18.7
246.81393	17.7
269.40219	14.9
459.20190	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14396	0.4
57.03452	1.6
59.01379	5.2
61.98829	100.0
69.90411	1.4
71.01383	2.1
73.02947	1.1
78.45953	0.4
85.02951	7.3
89.02435	0.9
96.96007	0.5
101.02460	1.1
116.92887	1.1
129.01962	0.8
132.06709	0.5
145.06223	0.7
146.29332	0.4
147.03058	1.6
147.04610	0.4
155.08376	0.4
186.12727	0.4
191.01991	3.3
216.19444	0.5
242.18576	0.5
254.70613	0.4
272.44308	0.5
303.62732	0.5
307.23193	0.5
310.18494	0.7
442.23010	1.1
448.67911	0.4
485.13190	0.7
498.63406	0.5
502.13693	1.4
502.24146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36471	1.7
59.01376	100.0
60.01708	7.9
61.98835	9.4
62.10666	1.4
69.72433	5.3
69.72779	1.6
71.01382	7.9
72.01693	1.7
73.02928	4.2
76.64297	1.4
82.95422	1.9
85.02955	4.2
87.00859	2.0
89.02439	4.0
98.22561	3.0
101.02438	4.2
101.06150	1.8
108.37036	1.5
113.02406	4.8
116.92848	1.6
121.02898	1.6
130.08740	23.5
131.09062	3.3
135.04556	2.0
161.04570	2.4
172.09770	2.5
191.05556	2.5
246.11365	2.9
309.86700	1.8
341.10312	1.8
346.18643	1.6
374.97076	1.9
399.23627	5.0
400.73428	1.5
417.24673	7.6
459.25787	2.3
502.25885	27.8
508.10049	1.7
521.30847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
57.94493	0.8
59.01381	100.0
61.98832	5.0
71.01385	14.1
73.02943	5.1
83.01397	3.3
83.05024	3.5
85.02956	5.5
87.00890	1.3
89.02431	6.6
95.01429	0.9
101.02451	9.2
101.06105	1.2
101.67172	0.8
109.02922	0.9
113.02441	6.3
119.03500	2.5
119.05019	2.5
121.02960	1.9
122.03693	1.5
123.04543	5.4
125.02560	0.8
130.08781	4.3
131.08167	0.8
137.02432	2.6
147.04489	2.5
149.02451	1.1
159.04510	2.8
160.05298	7.0
161.04535	3.5
161.05702	4.6
169.12352	0.9
175.07677	1.8
179.05486	1.1
193.05074	3.8
204.04251	1.6
205.04631	1.6
246.11320	1.6
255.19696	1.3
297.11417	2.5
339.08813	5.3
340.09070	13.1
341.10306	22.5
350.14520	1.8
399.23874	16.0
417.24908	17.1
459.25992	5.3
502.14722	4.7
502.26367	10.3
507.13336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
58.02967	1.2
59.01376	4.3
62.20762	0.3
70.61665	0.4
71.01380	3.2
73.02940	1.5
75.48183	0.4
83.01386	0.8
83.05013	0.3
85.02943	1.7
87.00867	0.8
89.02428	1.1
98.32566	0.3
99.00866	0.4
101.02452	2.5
113.02442	0.9
119.03541	0.5
121.80453	0.3
128.03554	0.4
128.10828	3.4
130.08742	100.0
131.09074	0.9
165.09328	0.4
172.09810	4.2
209.08327	0.4
219.25032	0.3
285.04169	0.3
398.14658	0.3
502.26593	86.4
503.20673	0.4
503.27045	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68607	2.7
52.53837	2.5
59.01380	100.0
60.01710	7.7
61.98833	91.1
63.85402	2.7
69.03445	2.4
69.97556	3.0
71.01385	23.7
72.99324	3.4
73.02957	15.4
80.91673	4.2
80.96518	3.1
83.01380	5.3
84.95139	2.9
85.02943	31.7
87.00875	3.1
89.02444	29.5
91.63223	3.2
94.21997	2.7
96.96014	16.5
99.00892	17.7
101.02435	12.3
111.00883	90.0
112.01158	3.6
113.02434	12.9
128.03571	5.9
129.01955	4.6
130.08754	34.3
134.06056	5.7
149.04570	27.6
150.04872	6.6
154.99855	12.0
161.04559	6.8
173.00938	33.9
173.04506	3.0
177.03238	3.9
178.05176	3.3
191.05586	10.3
211.13113	3.0
233.06548	8.9
274.86990	2.9
293.08841	5.0
294.09152	3.2
311.10443	2.9
312.76074	2.9
340.09525	5.8
373.25943	3.9
399.23883	9.5
502.16727	33.0
502.26288	32.1
503.16913	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95806	0.5
57.03434	0.6
59.01381	16.7
60.01729	0.5
61.98829	1.9
71.01384	8.0
73.02950	1.5
82.88572	0.5
83.01388	1.1
85.02949	2.7
86.88888	0.6
89.02448	8.2
90.02794	0.5
95.01396	0.6
97.71906	0.5
99.00893	1.8
101.02444	4.2
102.05647	0.8
113.02483	2.2
116.92875	0.7
119.03529	0.8
130.08743	99.1
134.98366	0.4
135.37845	0.5
147.04657	0.5
149.04576	2.5
163.24133	0.5
167.99449	0.6
190.47876	0.5
191.05640	0.9
266.88663	0.5
289.22665	0.5
297.13904	0.6
322.20203	1.3
466.17923	0.6
502.26620	100.0
503.26901	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78609	0.5
59.01385	0.7
61.98829	100.0
69.85503	1.5
69.85847	0.7
101.55681	0.5
111.55599	0.5
160.84229	4.0
166.13400	0.5
223.33578	0.5
448.47073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.24471	2.9
82.07371	0.5
88.25510	0.5
98.22640	1.2
100.67601	0.4
119.45238	0.6
158.84674	0.5
160.84262	4.6
162.68440	0.6
442.26062	1.3
492.54236	0.6
502.28192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31599	0.3
55.01876	0.4
57.03440	1.6
59.01381	4.7
59.97316	0.3
61.98812	0.4
71.01377	2.1
72.32166	0.3
73.02942	2.1
75.00874	3.8
84.59937	0.3
85.02947	10.7
87.00866	0.4
89.02431	2.0
91.72195	0.3
96.96027	0.4
97.34232	0.3
98.22446	0.5
99.00877	2.4
99.92587	8.5
101.02426	1.7
113.02444	0.6
115.00401	0.4
116.07175	0.4
116.92857	100.0
116.97259	1.4
117.01936	3.8
117.05565	0.8
117.92855	2.5
123.47679	0.3
129.01961	1.3
131.03453	0.5
134.03793	0.5
145.06137	0.6
147.02982	2.3
149.04556	1.4
161.04544	0.4
173.00908	0.4
180.45543	0.3
191.01965	4.8
191.05659	0.9
209.03036	0.9
221.04677	0.3
233.06630	0.4
337.09097	0.3
431.15280	0.4
443.10117	0.4
475.32394	0.4
503.17526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1558
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
54.35360	0.3
55.01864	1.3
59.01374	6.3
61.98819	1.9
68.55922	0.3
69.70124	0.3
70.08248	0.8
71.01379	1.6
73.02933	0.7
81.03460	0.8
83.01382	47.5
83.05011	0.4
84.01707	0.4
85.02952	1.0
88.51466	0.3
89.02429	0.5
93.03453	3.2
101.02442	1.1
107.05004	3.3
109.02918	2.1
113.02444	0.8
116.92846	1.0
116.94597	0.3
119.03497	0.3
119.05022	0.6
121.02950	26.2
122.03236	0.3
123.04497	2.8
129.10387	0.4
130.99936	0.3
133.02960	2.6
135.04532	3.5
147.04521	1.5
148.03999	0.4
151.04004	1.0
160.01627	0.6
161.04608	0.5
161.05942	0.6
175.03961	1.3
179.03532	0.7
193.05087	1.6
219.06619	1.8
227.96754	0.3
270.52081	0.3
275.56631	0.3
292.32108	0.3
297.11267	1.9
341.10260	100.0
342.10602	5.1
457.97833	0.3
503.15692	3.0
503.25034	0.7
503.32428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Tinosinen
Peak:m/z	Relative Intensity
55.01878	0.3
57.03445	0.9
59.01380	9.5
61.09729	0.3
61.98814	0.4
62.48341	0.3
65.00314	0.6
67.18983	0.3
69.15997	1.1
69.16398	0.6
71.01378	4.4
71.53698	0.3
72.99293	0.3
73.02947	1.2
81.03456	3.4
83.01381	1.7
84.95110	0.3
85.02963	2.5
87.00871	1.4
89.02428	2.6
95.01390	0.5
96.95996	0.7
99.00874	0.6
99.08163	1.0
101.02441	2.9
101.06102	0.6
106.48914	0.3
107.05013	0.7
113.02470	2.1
114.01972	0.4
116.92838	0.4
119.03502	0.9
120.05830	0.3
122.03774	0.3
123.08157	2.1
124.60707	0.3
125.02452	8.5
125.06092	4.9
130.08743	3.6
135.04488	0.4
136.05299	0.7
137.02441	0.3
141.09181	0.7
146.08226	1.5
147.02977	0.4
147.08217	1.0
149.02463	1.0
149.04521	0.6
150.24324	0.3
151.00392	1.1
159.35532	0.3
160.05176	0.4
161.02431	0.6
161.04547	0.9
161.09715	1.1
161.13332	0.5
165.09201	22.7
166.09552	0.5
179.05653	0.5
187.11314	1.7
189.05681	0.3
189.09142	0.7
191.07138	1.5
205.08778	0.5
205.12257	0.7
208.03546	0.3
209.08191	100.0
210.08569	2.1
223.06042	0.4
233.08249	2.6
249.11275	0.8
251.09146	0.5
253.09248	1.7
333.22061	0.4
341.10220	0.6
341.13983	0.9
355.12546	0.3
371.20956	0.4
502.26312	1.5
503.17761	23.3
503.26657	3.4
504.18234	1.3
504.27997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88455	0.4
53.63306	0.4
55.01885	0.6
57.03456	2.1
59.01378	100.0
59.31699	0.3
60.01734	0.6
60.72124	0.3
70.37582	0.4
70.37901	0.7
70.53291	0.3
71.01379	10.0
73.02932	3.1
83.01398	1.2
85.02962	5.7
87.00881	2.0
87.04537	1.4
89.02438	2.0
95.01402	1.2
97.02953	0.4
99.00889	0.7
101.02435	4.4
106.72092	0.4
113.02447	7.0
113.50985	0.4
114.02753	0.5
119.03529	0.7
129.01964	0.4
131.03511	0.4
132.73727	0.3
134.14131	0.3
143.03510	0.4
159.02913	0.4
160.66771	0.3
161.04552	2.9
171.07359	0.3
240.97514	0.3
255.19821	0.5
261.07578	0.4
283.76929	0.3
295.22803	0.3
316.69171	0.3
399.23846	16.6
400.24481	1.2
417.24829	6.0
418.25342	0.5
423.13055	0.5
459.26273	1.9
503.18079	0.4
503.25140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.14107	7.2
71.01379	13.0
73.02928	4.8
83.01385	2.7
85.02946	4.8
89.02440	7.1
98.49541	1.3
99.00894	1.4
101.02451	10.2
101.06055	2.1
103.53254	1.4
113.02449	7.1
119.03494	2.9
121.02972	1.9
123.04551	2.4
124.85188	1.3
147.04492	1.6
152.05203	1.5
159.02890	2.0
161.04547	3.4
261.71246	1.4
279.81793	1.4
341.10278	13.5
380.18353	1.4
399.23907	12.7
413.09210	1.9
417.24854	17.5
418.25339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01379	100.0
60.01681	2.3
61.98813	6.3
66.08995	1.3
66.41473	1.3
67.39983	1.4
69.90037	2.1
69.90392	4.1
71.01388	20.7
73.02939	8.9
78.91883	2.4
79.95284	1.7
79.95733	4.2
80.67660	1.9
82.95432	2.4
83.01368	3.8
85.02948	11.4
87.00867	3.4
89.02456	9.0
95.01398	3.2
96.96001	22.6
99.00846	1.8
101.02455	12.6
106.43219	1.7
111.00873	10.8
112.01151	2.8
113.02451	11.4
119.03505	3.4
121.02960	3.6
124.01477	1.5
130.08736	10.2
131.09099	2.0
161.04523	3.6
173.00919	3.7
175.43311	1.7
177.03368	2.0
226.91837	1.8
246.11121	1.6
339.08478	2.3
341.09790	1.9
359.14926	4.4
360.14114	1.7
399.23822	15.5
400.24194	3.6
417.24802	11.2
418.25345	1.9
459.25546	5.1
503.18158	37.0
503.26340	10.6
504.25647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92419	0.4
59.01378	100.0
60.01710	0.7
64.68166	0.4
69.27011	1.8
69.27419	0.8
71.01391	1.2
73.02884	0.4
101.02424	0.6
111.00976	0.8
121.03007	0.4
129.06755	0.5
130.08745	0.6
142.37869	0.4
161.04579	0.7
190.39885	0.4
209.60268	0.5
242.12106	0.5
401.25519	1.5
443.26804	1.2
503.28802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03431	1.3
59.01371	3.8
61.98826	4.6
69.14145	7.1
71.23873	1.1
77.74158	1.2
78.95908	10.5
82.46861	1.2
82.49869	1.0
83.05003	1.7
95.04977	1.4
97.06580	1.3
98.22615	2.1
109.06651	1.9
110.98520	9.4
116.15351	1.0
137.09711	1.6
167.01218	6.5
185.02194	3.0
207.85918	1.3
211.13425	7.9
213.14885	1.3
221.15399	1.5
223.13383	1.9
249.56958	1.2
253.21785	1.5
262.23508	1.3
275.20273	1.4
277.21719	59.6
287.23773	9.2
291.19772	5.6
291.22604	1.2
299.23846	1.3
315.23499	1.6
315.26923	2.7
325.21729	1.4
325.25336	2.8
331.22882	5.6
343.26349	2.7
349.23853	5.4
351.23267	1.8
359.26016	2.9
369.24371	2.6
377.23331	4.1
387.25638	5.8
405.26459	33.6
405.31329	1.6
441.29858	2.3
445.23584	35.5
446.23672	1.9
459.31082	9.7
467.31696	4.7
485.32629	24.1
486.33154	2.7
503.19540	15.6
503.33807	100.0
504.34152	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3376
Annotation	Sublateriol A
Peak:m/z	Relative Intensity
57.03435	7.7
59.01358	3.9
59.82904	1.8
61.98820	2.1
69.47812	6.9
71.01340	1.6
72.02407	1.5
78.95896	19.0
93.61234	1.5
98.21899	3.4
103.04372	1.7
110.98554	14.0
119.60822	1.6
125.09721	6.0
151.11241	2.1
152.99612	2.0
153.09160	2.3
161.47401	1.8
167.01129	16.4
169.02911	1.7
183.13884	2.1
185.02185	4.2
211.13382	23.8
247.20726	4.3
253.21667	13.7
277.21704	70.3
278.21994	4.3
291.19650	100.0
292.19897	5.0
315.26974	4.4
331.26404	2.1
335.17450	2.1
347.25928	3.3
349.23575	1.7
359.25803	4.0
375.25406	4.5
387.25565	3.2
393.26578	9.4
405.26505	27.5
421.23746	6.2
445.23566	45.1
445.29681	2.5
446.24008	3.7
456.99207	1.8
467.31857	3.0
485.32584	21.8
486.33069	3.7
503.19617	21.7
503.33795	64.8
504.33920	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	14.9
61.98815	23.8
69.20044	66.5
69.92332	12.3
123.21623	11.2
134.72250	11.0
162.83913	100.0
215.64165	12.0
241.59940	12.5
335.81802	13.8
406.47110	11.9
466.09317	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.5
61.98821	0.7
69.21446	2.1
69.54845	0.3
71.01363	1.2
83.01390	1.2
85.02945	0.7
89.02464	0.8
93.03451	0.6
101.02404	0.5
113.02436	0.6
115.00372	1.6
121.02975	0.4
135.04529	0.4
137.99596	0.3
179.03429	0.5
191.05577	0.7
239.03384	0.7
240.04294	0.8
267.06622	0.6
268.03760	49.4
269.04114	2.2
281.04550	0.9
283.06119	100.0
284.06485	3.8
325.07285	0.5
341.10233	0.6
342.10715	0.7
343.10831	1.7
406.65454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01701	1.2
60.51854	0.9
61.98825	1.6
66.91779	1.0
70.94801	1.4
71.01402	5.3
73.02937	1.9
74.92524	0.9
75.00890	1.1
82.95416	1.1
83.01381	1.3
85.02938	4.0
86.76963	1.0
89.02444	3.1
96.00874	1.3
96.96008	1.2
99.00848	1.6
99.92580	4.1
101.02462	4.7
103.01502	2.7
113.02435	2.3
116.92855	15.4
119.03453	1.7
120.99569	1.0
123.04483	1.0
128.03543	1.1
151.04001	1.7
161.02420	12.2
161.04521	1.6
167.40500	1.1
176.04817	7.5
178.49408	0.9
179.03502	18.7
191.07176	3.9
194.05850	23.2
195.06264	1.4
209.08183	88.6
210.08485	2.8
337.54892	1.0
445.08075	1.4
470.08615	2.9
471.21533	1.1
505.24484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14775	1.0
59.01377	97.9
59.40828	0.9
61.98823	2.2
62.17370	0.9
64.82008	1.0
70.80886	1.9
71.01375	3.8
73.02949	2.3
85.02946	3.0
89.02447	3.7
96.00914	0.9
98.22283	1.2
99.00883	1.3
99.92576	2.2
101.02419	3.3
102.14108	1.0
113.02465	1.9
113.03542	1.2
116.58771	0.9
116.92863	8.6
119.03493	1.5
120.99664	1.4
128.03523	1.0
151.04097	1.8
161.02423	12.8
161.04489	1.4
165.05554	1.3
176.04805	10.5
179.03490	24.5
191.07133	5.1
194.05827	31.1
194.07608	1.9
209.08179	100.0
210.08572	2.8
343.11386	1.1
408.25598	1.0
445.17422	1.3
479.63858	1.0
505.17508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33227	0.4
57.03453	1.1
59.01378	100.0
60.01729	0.5
61.08760	0.5
61.98828	4.5
65.02856	0.6
69.03468	0.7
71.01379	13.4
71.42605	0.6
73.02946	19.6
75.00883	0.7
82.95402	0.6
83.01387	4.4
85.02963	4.8
87.00896	0.9
89.02450	7.7
89.98338	0.5
95.01411	1.5
96.96026	0.6
97.02966	1.1
99.00896	0.7
101.02441	21.0
103.01538	0.7
108.95682	0.6
111.00883	0.6
113.02450	9.6
116.92875	1.9
119.03478	4.1
125.02477	1.0
131.03513	1.8
137.02541	0.6
143.03505	3.7
145.03438	0.5
149.04570	4.2
161.04565	9.9
166.02748	0.6
179.05624	3.8
179.10799	0.8
181.01524	0.5
181.05119	0.9
195.06656	0.8
203.05653	1.5
205.12305	2.9
221.06689	2.8
223.13422	4.2
241.14522	1.0
283.10782	0.6
325.10950	2.1
385.18567	5.4
403.19714	7.4
403.24606	0.6
445.21017	6.9
505.09628	0.7
505.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48681	1.3
57.03436	4.8
59.01379	100.0
61.98837	5.5
62.12578	1.3
62.79360	1.5
63.79215	1.4
69.03451	4.9
71.01385	42.7
73.02947	4.5
75.53963	1.4
78.95901	2.0
81.97513	1.5
83.01363	2.4
85.02950	12.3
87.00887	1.9
89.02443	62.3
90.48901	1.7
93.03469	2.1
95.01390	5.1
97.02948	1.9
99.00886	1.5
101.02470	8.5
101.03033	1.5
105.94159	1.8
111.00903	5.3
113.02444	41.0
115.00365	4.8
118.03786	1.6
119.03483	1.5
126.90385	6.9
131.03500	11.3
137.02460	1.7
137.49573	1.5
141.01953	11.6
149.04546	18.3
173.04593	2.7
177.01857	2.0
191.05569	4.1
223.13365	4.2
277.15942	1.5
291.07175	13.1
381.07614	2.9
419.04770	2.5
505.33841	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86592	0.6
53.42429	0.6
59.01379	1.8
59.04234	0.6
67.12392	0.6
68.34013	0.5
69.59668	2.3
71.01385	0.8
78.95905	28.9
95.64692	0.5
96.96954	2.3
98.62247	0.5
152.99590	42.2
171.00662	2.3
227.03233	6.7
245.04341	1.5
277.21716	100.0
278.22021	4.4
280.23666	1.6
341.69550	0.7
413.20963	1.2
457.84082	0.6
505.25708	78.5
506.25879	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38456	0.4
59.01371	1.2
60.96022	0.4
61.98813	0.6
69.57072	1.1
71.01348	0.4
78.95424	0.6
78.95899	13.2
90.03869	0.3
92.12542	0.3
96.96970	1.3
99.92575	1.6
100.93324	0.6
115.92140	0.5
116.92867	1.7
129.67984	0.4
152.99579	21.8
171.00648	1.5
180.24580	0.4
227.03204	3.7
245.04272	2.3
259.20526	0.5
270.04846	0.4
275.20160	0.7
277.21704	100.0
278.22025	4.1
405.09799	0.4
406.19943	0.4
487.18622	0.4
505.25693	47.6
506.26074	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.257
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.76805	0.4
59.01376	2.1
61.98816	0.9
71.00202	0.7
71.01369	0.9
78.95901	31.6
96.96963	2.7
97.92017	0.6
150.97987	1.0
152.99585	45.7
168.70172	0.5
171.00665	2.9
227.03217	5.4
233.22849	0.5
245.04306	1.7
275.20255	0.7
276.85690	0.5
277.21710	100.0
278.22040	4.6
413.20993	1.6
457.55179	0.6
505.25729	77.7
506.26080	5.5
506.99603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05555	1.7
55.01872	2.0
57.03444	4.7
57.50793	1.5
59.01380	14.2
61.98819	7.9
68.99806	1.9
69.03465	4.8
69.15051	10.2
71.01376	20.1
72.99339	1.8
73.02985	2.2
75.00881	13.8
78.75606	1.6
78.95895	16.5
79.41225	1.6
82.95463	2.2
83.01400	7.0
85.02957	23.0
87.00913	6.5
88.04031	3.5
89.02474	3.3
91.04013	1.7
95.01385	8.1
99.00883	17.2
110.98536	9.3
111.00916	1.7
113.02444	30.1
131.03531	3.0
152.84656	1.7
152.99559	1.9
157.01402	2.2
167.01111	6.0
171.10289	3.9
185.02238	3.6
185.11864	4.5
192.49866	1.7
209.11757	3.4
210.74721	1.6
213.11266	2.6
229.10767	5.4
249.06129	22.9
253.21748	4.1
255.23288	100.0
256.23669	2.3
267.07339	3.2
279.23288	67.4
280.23651	4.5
337.19321	2.4
405.26395	2.3
421.24265	2.3
421.31076	1.6
426.45233	1.9
447.25168	26.0
459.34708	3.6
469.34293	5.5
487.34454	3.7
505.21094	13.6
505.30118	92.2
505.35681	32.5
506.30029	4.6
519.30688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
57.03428	2.4
59.01381	58.1
61.98816	5.2
63.53205	1.5
67.67380	1.7
69.03452	2.3
71.01385	68.1
73.02953	19.8
73.93513	1.5
83.01393	5.4
85.02948	21.0
87.00887	3.9
88.98793	8.9
89.02442	42.6
89.08626	1.7
95.01434	4.0
97.02948	3.7
99.00868	5.1
101.02444	43.5
113.02457	35.9
115.04102	1.5
119.03507	15.2
120.01267	4.1
125.02452	3.2
131.03479	6.6
143.03511	4.0
143.54541	1.7
149.04541	7.6
152.03510	4.6
152.07176	2.1
159.02971	4.1
161.04553	33.6
179.05690	8.2
191.05603	2.5
331.17621	78.0
332.17880	3.6
345.13486	2.0
435.64868	1.7
463.21869	100.0
464.22092	5.8
506.20227	4.9
507.20691	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90064	0.2
54.08302	0.2
59.01153	0.2
59.01382	2.2
61.98817	1.0
65.00322	0.4
69.06883	1.1
69.07299	0.4
71.01369	0.6
79.95734	0.4
80.96497	0.3
85.02953	0.3
96.96017	1.9
107.44332	0.3
111.00879	0.3
117.64329	0.2
121.03072	0.3
123.00864	0.3
124.01673	3.7
125.06097	3.3
133.02985	0.6
134.03732	0.6
134.94197	0.2
138.94736	0.2
139.04012	1.4
152.01157	19.8
162.06854	0.3
165.01918	1.0
166.02724	0.4
166.96600	0.2
173.04472	0.3
178.02701	0.3
179.03476	0.2
180.04305	0.7
190.06384	0.5
191.07205	0.7
193.05113	0.5
205.08635	2.0
207.06654	0.3
208.07414	11.6
209.07707	0.4
211.13370	0.5
223.09760	100.0
224.10069	3.0
283.01294	8.9
345.16998	0.4
507.11789	3.7
508.11984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	85.0
61.98825	16.1
65.96899	6.0
69.03424	5.0
69.20452	4.9
70.56769	9.1
71.01384	56.6
71.46782	4.7
73.02947	9.3
80.24163	4.1
81.03486	5.5
85.02935	10.5
89.02449	61.5
96.96007	8.5
97.02940	10.9
99.00882	8.6
101.02414	13.3
105.46644	5.8
113.02430	6.9
116.92863	5.4
123.00882	11.7
125.02439	30.9
131.03549	8.4
133.02866	4.6
135.04539	10.2
138.03186	11.2
143.03589	6.3
149.04430	6.4
177.01918	100.0
177.90495	5.5
209.74683	4.8
233.06598	17.5
293.08768	77.0
315.12372	7.0
345.13287	15.7
447.15421	12.3
447.21985	5.8
471.11453	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Hypochoeroside E
Peak:m/z	Relative Intensity
57.03436	0.9
59.01382	51.7
61.13291	0.7
61.98828	1.3
66.71486	0.6
68.22402	0.6
71.01383	10.1
72.99302	1.0
73.02937	1.9
75.00890	0.6
80.18449	0.7
83.01389	0.8
85.02943	4.2
87.00876	1.4
88.98806	1.5
89.02442	8.6
92.02679	1.8
93.02865	1.2
93.03462	25.7
94.03798	0.8
95.01377	0.8
96.96013	0.8
98.21877	2.0
101.02452	9.4
108.02148	1.0
113.02438	4.5
115.05126	0.7
119.03499	2.9
120.99670	0.7
121.02980	1.0
135.02927	0.8
135.04564	0.8
136.01680	6.4
137.02452	54.5
138.02731	1.1
139.41478	0.6
143.03461	0.7
147.04520	0.7
149.02422	0.8
151.03992	2.7
160.05321	1.0
163.11266	5.0
178.76099	0.7
179.03510	20.3
181.05168	1.0
191.01926	0.8
207.10269	10.3
209.04543	2.8
225.11429	3.3
239.05617	9.6
245.51117	0.8
299.07874	0.9
345.13327	1.0
347.24197	1.1
369.15497	2.7
387.16605	57.3
388.16898	1.8
408.24823	0.7
447.16449	4.6
461.20377	1.9
477.18964	3.2
489.17789	1.7
507.18686	100.0
507.27460	5.5
508.19196	6.9
508.26508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1871
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.59932	0.2
56.33599	0.3
57.03440	0.3
59.01377	3.0
71.01389	0.5
71.25090	0.3
73.02945	0.3
75.00868	0.3
85.02944	0.9
88.98790	1.8
89.02450	1.0
92.05117	0.3
93.03452	1.1
94.98080	0.3
101.02416	0.7
108.02167	1.0
109.02956	1.6
111.04526	1.0
113.02435	0.4
121.02957	2.3
122.03735	13.8
123.04535	2.6
134.03671	0.3
135.02992	0.3
135.04579	0.4
137.02463	0.5
139.03995	0.3
145.06563	0.6
147.04533	0.5
147.08096	0.4
149.06110	0.4
154.02693	0.7
157.06502	0.4
161.06076	0.7
173.06055	0.5
175.07591	0.6
179.07094	0.5
225.10968	0.3
267.10086	0.5
297.11270	3.4
315.12488	2.2
327.12268	0.6
345.13406	100.0
346.13797	5.0
382.50006	0.3
468.49136	0.3
468.55988	0.3
507.19153	1.6
507.28174	4.8
508.20587	0.3
508.28128	0.5
528.67487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.9
57.03433	4.5
59.01379	55.6
61.98829	2.3
62.62183	1.3
67.57412	1.2
71.01381	67.3
72.99336	1.7
73.02944	21.5
74.80419	1.2
75.00865	5.0
83.01391	9.1
85.02949	25.5
85.03453	1.7
87.00879	2.1
88.98801	6.1
89.02441	20.7
92.69904	1.4
95.01376	3.0
97.02897	2.7
99.00877	10.7
101.02439	39.3
107.15194	1.5
113.02451	28.9
119.03480	4.4
125.02426	2.1
129.01939	2.3
130.43098	1.3
131.03513	2.3
135.02946	1.7
143.03523	3.7
149.04526	2.7
149.67165	1.3
152.01138	2.5
159.02977	6.0
161.04570	29.7
166.02687	3.3
181.05023	11.1
187.03993	2.8
223.09760	14.0
246.34157	1.5
315.18106	87.7
316.18365	3.6
345.16956	2.5
371.14914	1.9
447.22339	100.0
448.22647	6.5
507.24261	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03245	2.3
55.01864	5.4
57.03447	4.6
59.01381	70.3
61.98816	7.9
71.01010	4.4
71.01384	64.0
71.41947	3.0
73.02953	23.4
75.00872	6.9
83.01393	9.3
85.02969	26.7
87.00872	2.8
88.98819	6.9
89.02444	28.7
95.01409	4.1
97.02953	3.7
99.00885	8.3
101.02451	48.4
111.00914	2.2
113.02459	27.7
119.03532	3.8
129.01955	2.9
131.03528	4.4
134.06126	4.0
135.02960	5.6
135.04565	4.0
137.02487	3.0
143.03511	4.3
149.04570	8.2
159.03020	3.9
161.04555	27.7
162.04823	2.4
173.04549	3.3
179.03578	2.8
187.03954	5.7
189.01926	10.2
191.05618	5.7
197.15585	2.3
209.09839	2.5
209.11810	2.7
213.14977	3.8
231.45407	2.5
315.18140	75.8
345.16980	7.4
371.14862	3.9
375.20239	4.4
394.08994	4.2
441.66992	2.8
447.16165	5.0
447.22351	100.0
448.22787	4.8
466.81027	2.8
503.85635	2.7
507.24109	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.5
65.80705	0.4
69.63323	1.7
78.95904	24.1
96.96954	2.1
102.56403	0.5
123.83069	0.5
152.99586	32.5
153.99945	0.6
171.00618	1.5
227.03250	4.8
245.04213	1.3
275.38251	0.5
279.23294	100.0
280.23666	4.0
498.52969	0.5
507.27274	64.6
508.27472	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22342	0.3
59.01384	0.4
61.98842	0.5
69.38190	1.1
69.38602	0.7
78.95901	19.4
96.96931	2.1
98.21867	0.7
152.99582	32.3
153.99878	0.4
171.00647	1.5
227.03271	4.1
245.04337	1.1
279.23282	100.0
280.23584	4.1
330.28339	0.5
415.22467	1.1
421.73010	0.4
448.80411	0.4
507.27237	69.3
508.27695	4.3
519.04767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49419	0.3
54.64240	0.3
59.01368	1.0
59.84470	0.3
61.98819	0.3
69.44292	1.6
78.95901	20.1
83.73828	0.4
89.59069	0.4
92.39762	0.4
96.96972	2.0
109.65749	0.4
133.24571	0.3
150.98070	0.5
152.99586	36.0
171.00623	1.4
227.03294	4.5
245.04314	1.3
260.62042	0.3
261.22134	0.5
279.23279	100.0
280.23611	3.8
415.22507	1.0
507.27243	67.5
508.27640	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.5
61.98826	100.0
69.14746	4.7
71.01389	1.2
85.02950	1.4
93.03465	1.0
95.89731	1.1
96.96030	1.7
98.21941	1.9
101.02457	1.4
102.36086	1.0
117.03467	1.4
124.59296	0.8
147.06625	2.2
178.99899	1.1
181.02333	0.9
216.00722	1.1
232.75122	1.1
268.03717	1.1
269.04611	2.8
279.09763	1.1
281.04428	1.3
282.05350	9.3
293.04602	1.1
295.02597	2.0
297.04031	16.3
310.04837	0.9
325.07074	5.0
348.12488	1.1
389.90509	1.0
445.11356	71.6
446.11624	2.4
507.27640	1.3
508.27859	1.0
509.22583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
61.98830	100.0
65.76753	0.3
66.73717	0.2
69.55425	0.8
71.01391	1.5
73.02954	0.3
75.00887	0.4
77.97227	0.3
83.01405	0.3
85.02963	0.8
88.47063	0.4
89.02455	0.4
90.20954	0.3
90.90183	0.2
101.02477	1.0
113.02464	0.5
136.07657	1.6
161.04555	0.3
165.62917	0.3
178.73364	0.3
315.18207	0.6
316.18506	0.5
323.14325	0.4
343.21170	0.5
363.18805	0.3
447.22452	0.4
448.23126	0.8
472.20999	3.9
508.13651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51388	1.3
59.01378	10.5
59.13504	1.3
61.98831	16.2
62.21067	1.6
69.07641	8.3
71.01378	12.3
73.02930	2.3
85.02938	4.9
89.02429	4.6
93.03442	3.3
97.02953	7.4
98.21889	3.7
101.02419	4.4
106.06678	1.8
107.05040	3.0
109.02932	1.3
112.01706	1.7
113.02429	5.8
119.05025	1.8
121.02954	100.0
123.04551	4.1
125.02480	1.8
131.05023	4.9
133.02953	2.5
133.06599	18.4
134.06129	2.7
135.04536	8.7
137.02458	8.8
145.02882	2.1
151.04012	18.3
153.05560	1.6
159.04482	4.4
161.04692	2.6
161.06046	19.2
163.04024	17.1
169.05084	3.5
178.05022	1.7
179.05441	1.5
181.03590	2.6
181.05069	34.9
189.05565	66.7
197.06198	1.6
199.06110	5.9
201.05499	4.1
219.06657	4.4
239.07164	3.1
241.05043	3.0
273.07626	9.5
285.07581	6.4
303.08795	4.0
315.83783	1.5
448.22916	1.9
508.30392	2.1
509.31900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2192
Annotation	9-Hydroxy-10-epi-ryanodine
Peak:m/z	Relative Intensity
59.01368	16.0
61.98826	22.5
62.03076	4.6
81.71140	4.7
85.02922	5.8
88.77481	5.6
122.40295	4.8
312.96088	4.8
327.53217	4.6
333.11252	11.1
333.79181	5.3
346.11877	6.3
362.14792	5.7
406.13956	6.4
422.17020	6.7
476.18390	9.2
480.96906	5.5
508.20895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19923	4.7
55.45781	4.8
56.53861	4.6
59.01380	100.0
61.98825	10.9
63.70097	4.3
69.00930	5.2
69.48167	10.0
73.97494	4.8
75.39716	4.9
78.95911	7.9
114.30590	4.9
131.04988	9.6
163.07681	6.3
187.04005	41.7
202.06415	9.9
263.70322	5.3
270.05701	5.0
281.98199	5.2
345.22717	6.0
353.13632	6.7
372.28799	4.9
398.13535	10.9
413.15988	94.5
509.31232	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51883	0.2
55.19399	0.2
61.64388	0.2
61.98829	100.0
69.22129	0.4
69.22517	0.5
79.02805	0.2
93.29612	0.2
120.36520	0.2
128.54355	0.2
284.12939	0.6
383.27328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
61.98840	5.2
62.84518	1.2
66.03458	1.0
67.82170	1.1
69.12762	5.7
71.01377	4.2
71.02494	3.9
72.00900	3.5
73.02916	1.8
74.02471	1.6
82.01707	1.4
82.06612	5.9
85.02942	2.2
85.16512	0.9
87.02002	5.4
88.00392	4.0
89.02451	1.5
91.05527	1.6
92.67139	1.0
93.03471	5.8
95.02536	1.1
98.01227	2.5
98.22615	1.8
99.02043	1.2
99.04523	2.0
101.02441	3.3
106.04218	1.5
107.05024	2.1
108.02169	3.3
109.02969	14.6
111.01994	3.5
112.02766	1.4
113.02438	1.6
116.05050	2.4
118.06599	1.9
119.05017	14.0
122.04846	3.0
124.99358	1.0
127.08746	4.4
128.03700	1.0
128.07158	2.2
129.10352	1.5
133.05305	2.7
134.06122	12.3
135.04510	1.5
136.05309	2.2
136.07666	2.4
137.07210	29.3
137.09685	1.3
139.08809	1.1
146.06125	8.2
148.05293	1.6
153.06693	5.7
155.08269	54.9
156.08521	1.1
160.04015	1.0
160.07703	1.5
161.04536	1.7
161.09714	2.6
162.05589	1.3
163.04001	14.6
163.07591	2.0
164.07190	1.1
165.09180	3.0
170.03093	1.0
173.07155	1.1
179.07021	1.6
180.06628	48.1
184.42162	1.0
186.05630	2.2
189.06696	6.0
190.05106	1.1
191.08257	3.4
198.08797	2.3
206.04585	4.8
213.13991	3.9
218.07053	1.2
237.11189	1.1
240.10353	1.4
241.13441	3.8
242.11813	3.6
257.12949	5.6
258.15927	1.5
259.14490	2.4
264.10275	1.8
266.11813	13.1
267.11679	2.0
275.13943	2.2
283.14731	1.5
284.14133	6.9
292.09738	2.3
302.15286	1.6
309.12573	1.3
310.11008	9.2
327.13464	9.3
328.12985	11.2
329.17447	2.2
337.11716	2.0
347.18665	3.7
351.21082	1.2
353.11304	3.2
404.19785	1.9
422.20898	2.5
439.18628	2.6
448.13141	1.8
448.18839	21.9
465.19321	2.1
466.19806	44.5
467.19803	1.5
491.19254	4.5
509.20343	100.0
509.31070	12.8
510.20490	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
57.03452	2.8
59.01379	100.0
61.98829	5.1
69.33147	8.3
71.01381	35.0
73.02941	24.4
75.00881	1.9
79.20327	1.7
83.01385	7.2
85.02952	18.7
89.02441	7.6
95.01376	3.2
99.00865	8.3
101.02446	36.5
106.79935	1.5
113.02437	16.1
125.02380	2.5
128.96986	1.7
131.03532	2.2
159.02974	3.7
159.15413	1.8
161.04578	12.1
176.59377	1.5
208.91995	1.7
291.18115	22.9
317.19693	2.6
333.19379	1.9
405.20853	2.1
423.22379	47.0
449.23801	3.1
465.23367	93.7
466.23700	5.6
509.17096	4.6
509.31326	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11330	2.2
75.09396	0.3
78.95901	18.9
85.83368	0.4
92.38084	0.3
96.96965	1.5
128.04996	0.3
145.20535	0.4
148.12787	0.4
150.98029	0.5
152.99593	30.7
171.00623	1.5
227.03249	4.4
228.84882	0.4
245.04311	0.9
252.40221	0.4
281.24847	100.0
282.25159	3.5
373.86685	0.4
417.23978	1.0
417.84961	0.4
496.58405	0.4
509.28815	70.7
510.29089	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73676	12.3
61.98831	18.1
69.96169	20.4
69.96484	22.6
75.04203	16.9
91.03986	15.9
98.21986	21.7
118.44679	13.0
168.12160	14.0
174.15840	14.6
195.18346	13.0
199.09698	14.7
240.93604	13.5
255.15974	37.3
257.17520	100.0
315.30878	15.2
329.19684	47.7
331.21140	31.4
367.13715	16.6
373.14203	14.7
379.37756	14.7
421.44022	16.2
473.39740	15.8
496.12164	15.9
509.29611	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	59.5
61.98817	53.0
63.92662	29.6
71.44779	30.1
77.54866	29.1
78.95873	56.2
95.56005	28.9
122.54283	28.2
169.15736	30.8
171.10263	67.4
207.10292	42.8
343.02460	31.4
509.30466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10847	13.6
57.76357	13.5
59.01374	95.0
61.98825	48.9
62.24897	12.8
71.01375	16.2
71.09977	14.4
78.95894	14.7
111.00909	13.4
148.05302	19.8
160.84251	99.5
163.07663	41.7
187.04099	16.6
260.30255	15.5
345.22845	46.3
366.07785	16.0
413.16107	36.7
491.30106	17.4
509.31790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69069	0.7
59.01379	2.3
61.98827	100.0
70.11890	0.8
75.00874	1.2
77.92554	0.7
85.02976	1.2
96.96033	2.1
126.69339	0.7
151.00348	1.1
167.03490	0.9
227.03477	26.3
235.06133	1.7
255.02960	35.6
256.03577	4.6
284.00677	0.6
284.03262	45.5
285.03964	13.2
447.09283	89.1
448.09625	5.5
509.29745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02242	0.4
53.57035	0.5
59.01377	4.2
60.25858	0.5
61.13937	0.5
61.98833	11.2
63.02391	0.6
65.58385	0.5
69.61206	0.9
71.69478	0.4
75.00878	1.0
85.02953	0.7
93.03517	0.4
98.22549	1.0
101.02427	0.6
107.01436	0.8
113.02422	0.6
132.53091	0.5
133.02975	2.3
144.03111	0.5
147.06602	0.6
149.02463	0.7
150.04143	0.6
151.00363	2.0
161.06071	0.5
167.03458	1.0
175.03917	0.8
187.06000	0.5
198.90628	0.6
199.04080	1.0
211.04044	0.5
217.05067	0.6
223.72913	0.5
227.03429	0.9
227.12898	0.5
235.06178	0.9
239.03340	0.6
256.03751	1.7
283.98697	0.7
284.03262	47.9
285.04037	98.5
286.04440	3.1
327.04968	1.5
425.26590	0.5
447.09311	100.0
448.09665	5.7
451.32904	2.7
509.28677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.43450	0.6
82.22710	0.5
85.02995	0.6
166.33456	0.5
271.19946	0.6
373.83640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14923	0.2
50.23231	0.2
59.01382	0.7
61.98827	100.0
69.18134	0.3
69.18539	0.9
71.01369	0.4
71.99258	0.2
99.83894	0.2
101.02460	0.3
119.56313	0.2
127.25516	0.2
227.54454	0.2
268.11942	0.2
450.23343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1241
Annotation	Phyllanthusmin C
Peak:m/z	Relative Intensity
52.26940	0.4
55.45111	0.3
59.01374	4.3
110.55560	0.4
121.02908	0.5
125.05179	0.5
125.06037	2.3
138.03221	6.0
139.04008	0.7
148.01653	4.8
149.02312	0.5
150.03275	0.5
151.04007	0.6
153.05569	1.5
161.02446	0.6
162.03200	0.7
163.00401	0.9
163.04002	12.5
166.02718	4.5
173.74521	0.4
178.02711	1.1
181.05061	15.1
187.03938	0.4
190.02702	1.2
193.05054	3.2
205.05026	3.8
219.04555	2.0
223.06125	0.6
228.84258	0.4
231.04498	0.5
232.05292	0.5
233.06046	1.2
245.06108	0.9
247.03970	5.2
247.07596	0.8
248.04726	1.3
248.08411	2.9
249.05539	1.0
249.09212	2.9
258.03134	1.6
260.04733	4.4
261.05548	4.4
262.06293	2.4
263.07126	1.5
273.05548	4.0
274.06339	0.8
275.03503	9.4
275.06696	0.8
276.04193	7.1
276.07416	0.6
277.05042	2.6
277.08603	1.4
283.08035	0.7
288.04236	1.2
289.01840	0.9
289.05072	16.2
289.10718	9.1
290.05835	13.1
291.06622	6.4
292.07474	1.3
293.08221	0.8
302.05957	0.8
304.00262	0.9
304.03760	17.0
304.07407	5.1
305.04474	6.9
305.08121	4.0
306.05258	0.6
307.11893	4.9
308.06653	0.6
309.34259	0.4
319.06091	35.9
320.06650	4.6
325.09293	2.2
334.08441	2.7
335.09088	1.4
336.06625	0.8
364.05853	6.3
366.07425	3.5
379.08197	100.0
380.08392	4.0
385.11234	2.6
433.14670	0.8
451.16098	0.9
511.18277	4.1
511.25250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1395
Annotation	Gnetuhainin F
Peak:m/z	Relative Intensity
61.98807	0.6
70.16490	1.0
70.16803	0.7
71.48103	0.5
72.71392	0.6
78.95900	2.4
79.46961	0.6
80.00271	0.7
88.98753	0.6
96.04487	0.7
98.21952	0.9
109.59068	0.8
123.75137	0.8
132.15518	0.7
152.99635	1.4
215.62883	0.6
279.23294	3.0
280.23669	0.8
281.24811	1.5
282.25107	3.4
367.05963	1.3
377.08246	0.9
380.06894	0.8
392.96347	0.8
393.07333	0.7
394.08340	3.5
395.04788	1.0
395.09445	3.3
405.07693	13.0
406.08194	1.4
408.06155	0.8
409.07050	2.0
423.09225	16.2
424.09344	1.2
449.10562	1.0
452.09003	0.7
467.11377	44.9
468.11694	2.9
501.35614	0.7
510.29031	2.2
511.13950	100.0
512.14465	6.2
512.22290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1392
Annotation	Gnetuhainin F
Peak:m/z	Relative Intensity
58.70539	0.8
59.01363	1.5
61.98827	0.8
66.97099	0.7
73.14316	0.8
73.48762	0.7
78.95892	3.0
88.98776	0.9
125.87322	1.2
152.99536	1.6
167.01068	1.0
279.23193	1.5
281.24847	2.7
282.25211	4.7
283.25418	1.9
321.24417	0.9
361.08218	1.3
363.06818	0.9
394.08444	2.4
395.09122	2.6
405.07544	9.2
406.08319	1.9
410.07797	1.1
422.07834	0.9
423.04446	3.5
423.08688	8.2
467.11349	33.7
468.11749	1.4
510.29184	4.4
511.13919	100.0
511.29526	2.5
512.14392	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1454
Annotation	Kutkoside
Peak:m/z	Relative Intensity
55.01870	0.8
57.03438	2.0
59.01379	15.3
61.98826	1.9
67.01896	1.6
69.03444	1.0
69.73473	1.7
71.01389	5.2
71.15203	0.6
73.02973	0.8
81.03466	6.0
82.95428	0.8
83.01384	3.5
83.05012	1.4
85.02946	12.8
89.02447	2.7
91.01889	6.3
93.03444	1.1
95.01397	2.1
96.96011	0.9
97.02941	5.0
101.02453	4.2
107.01387	8.6
107.05016	0.8
108.02175	15.8
109.02958	1.6
110.89851	0.6
111.00877	12.6
113.02438	3.9
119.03545	1.0
121.02910	1.0
122.03734	1.2
123.00898	5.1
123.04528	36.7
124.01687	2.3
124.04868	1.0
125.02450	4.7
135.04539	2.6
136.01634	4.4
137.02464	2.1
139.00365	0.6
145.02968	2.6
147.04478	0.7
151.00377	6.3
151.04015	6.2
152.01161	11.4
153.05589	0.6
163.04030	5.5
164.04788	1.0
166.02701	6.6
167.03493	75.0
168.03876	1.5
173.04491	0.8
174.03239	2.3
179.05649	0.5
181.05045	4.5
189.01913	0.8
189.05594	1.9
192.04245	9.4
193.04955	0.8
193.68259	0.5
202.02548	1.2
205.04987	0.9
207.06612	8.3
220.03773	1.8
225.16095	1.5
235.06110	100.0
236.06471	4.0
247.06136	1.4
251.24210	0.5
257.08099	0.6
265.06946	1.4
285.03973	1.3
285.07541	0.8
286.04349	0.9
305.10483	0.8
319.08200	1.2
331.08151	2.1
349.09271	14.6
433.32071	0.7
448.09546	1.5
451.32852	15.7
511.14346	14.2
512.15265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01384	1.5
50.03513	1.7
59.01377	54.5
61.98827	3.1
69.61240	5.6
71.01372	3.2
73.02945	1.9
80.66941	1.5
85.02935	3.7
91.76443	1.5
101.02417	3.1
113.02426	2.8
113.21431	1.6
117.03531	1.9
121.02931	2.9
122.03753	3.0
123.04520	2.1
124.01671	7.6
125.06062	15.7
128.04599	1.6
133.02911	2.5
134.03751	2.1
136.01653	4.2
137.02417	5.7
138.03239	16.0
139.04013	13.5
143.68744	1.5
147.04512	1.8
148.01662	35.8
149.02411	3.6
150.03210	6.4
151.04015	7.8
152.01157	4.0
153.05554	6.5
157.54486	1.5
160.01663	3.3
161.02489	12.4
161.06192	1.9
162.03246	2.8
163.00368	31.2
163.03999	100.0
164.01109	5.4
165.05510	8.6
166.02742	11.1
167.03500	10.3
171.04472	1.6
175.03990	3.3
176.01128	1.8
177.01915	4.7
177.05630	1.9
178.02721	34.9
179.03438	6.0
180.04253	2.0
181.05066	39.2
187.04169	2.1
188.04774	3.4
189.01936	3.6
190.02641	7.8
191.03525	5.6
193.05054	79.2
193.35110	1.7
195.06644	3.0
203.03474	2.3
203.07114	2.6
204.04234	4.3
205.05051	24.5
207.02919	1.8
215.03464	6.0
217.05060	3.9
219.06473	1.9
220.03703	1.7
223.06082	10.9
232.03790	2.7
247.06105	13.2
265.07050	3.8
283.08255	5.3
287.09119	3.0
289.10828	45.3
304.03522	2.0
307.08334	2.7
307.11871	6.1
319.11841	8.4
325.09308	25.1
343.10339	6.7
349.12811	2.6
385.11389	45.4
391.13998	2.8
397.83347	1.7
433.14673	7.5
451.16104	13.1
503.96249	1.7
511.18173	62.9
512.18402	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2547
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01856	1.9
57.03436	2.7
59.01377	38.2
60.70926	1.5
61.98827	10.6
69.16724	8.9
71.01381	21.3
73.02942	10.3
82.95391	1.4
83.01373	3.8
85.02950	12.7
87.00878	2.5
88.98837	2.5
89.02434	5.5
93.03461	2.5
96.95996	2.3
99.00858	3.7
101.02442	19.4
109.02892	1.9
113.02450	11.5
116.92886	1.3
119.03508	2.2
123.04505	2.1
125.02439	2.6
126.16646	1.3
135.08138	2.3
138.87352	1.7
147.06659	2.9
152.22664	1.5
159.23286	1.2
161.04518	5.1
165.87791	1.3
167.03481	1.5
173.04552	3.3
188.11259	1.3
191.05600	2.5
225.11298	2.1
279.12463	1.5
287.20038	2.0
295.75446	1.3
331.18958	2.5
451.33279	1.7
479.69815	1.5
493.24667	6.4
511.25427	100.0
512.26105	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01376	8.2
61.98833	3.4
65.22182	0.5
65.38291	0.5
68.99820	1.1
70.03542	1.2
70.03878	0.9
71.01376	6.5
72.99301	1.4
73.02937	0.8
75.00846	0.9
75.11208	0.6
79.49649	0.6
82.95422	0.6
83.01392	2.1
85.02953	5.8
87.00856	3.8
89.02441	4.2
95.01393	1.1
96.96010	1.8
96.99310	0.6
99.00883	1.6
101.02422	3.1
108.02162	1.8
109.02919	0.6
111.00887	2.5
113.02451	4.0
115.00385	3.0
119.03463	1.3
123.04533	1.9
129.01976	1.3
131.05029	0.9
132.02182	0.8
133.02968	0.9
134.03719	9.9
135.04564	2.7
136.05269	1.6
137.02441	1.0
145.02939	1.0
146.03725	1.2
147.04521	1.2
148.01631	1.0
148.05305	22.6
149.02422	0.6
149.06049	1.8
150.03210	1.1
158.03813	1.0
159.04521	1.2
160.01682	3.0
160.05251	1.5
161.02455	4.8
161.04544	0.8
162.03218	27.2
163.03920	2.1
163.07639	2.5
164.04816	5.9
166.02774	0.7
172.05276	1.4
173.02592	0.6
173.06041	1.4
174.03197	1.0
175.02483	3.5
175.03995	7.1
176.01097	1.2
176.04814	3.4
177.05559	35.6
179.05585	0.7
179.07056	0.9
184.05360	0.8
186.03267	1.8
187.04031	1.4
188.04770	4.0
189.01900	1.3
189.05609	1.6
190.02713	1.5
190.06314	1.0
191.03485	0.7
191.07166	3.8
192.04218	0.8
193.05006	1.2
194.02242	2.7
195.06613	4.3
199.04027	1.1
200.04805	2.2
201.05556	1.9
202.02602	0.9
202.06281	1.1
203.03479	1.9
203.07071	0.9
204.04248	5.1
205.05055	1.3
205.08763	0.7
207.06616	13.0
209.01192	0.6
212.04803	2.1
214.02739	1.8
214.06367	1.6
215.03462	1.6
215.07190	0.6
216.04211	2.9
217.05067	1.2
218.05919	1.2
219.06619	3.1
223.06149	5.0
227.07146	1.1
228.04274	1.8
229.04996	3.9
229.08643	0.7
230.05891	2.0
231.06509	2.7
232.03784	4.3
233.04445	1.4
233.08183	1.8
234.05324	2.0
235.06096	3.3
239.03436	0.6
243.06744	1.6
245.08127	5.0
247.06100	22.3
248.06726	0.9
249.07666	7.7
251.05591	100.0
252.05957	2.2
255.02939	0.8
256.03766	1.7
259.06174	2.6
261.07654	2.1
263.05548	1.0
263.09189	3.0
271.06110	5.9
274.04910	1.0
285.07703	7.9
287.09415	0.7
289.07175	10.8
291.05118	34.5
292.05484	1.3
301.07083	1.2
303.08765	6.9
307.08228	6.3
315.08298	0.6
331.08206	1.3
333.06354	0.7
349.09238	10.6
351.07220	16.5
397.11163	1.1
398.35858	0.7
469.13483	4.6
513.12415	5.9
513.20190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30923	0.2
59.01379	1.6
61.98801	0.2
64.65946	0.2
69.56112	0.6
71.01377	0.7
73.02924	0.3
80.96514	0.3
85.02950	0.3
89.02452	0.4
92.98923	0.2
95.41206	0.2
96.96006	0.2
101.02455	0.3
134.03799	0.2
164.96310	0.2
168.15608	0.2
193.06487	0.3
205.06529	0.3
220.05238	0.2
221.06081	1.2
222.06847	0.8
233.06111	0.6
235.07671	0.2
245.06111	0.3
246.06923	0.3
246.52495	0.2
248.04890	0.4
249.05551	10.6
250.06050	0.4
251.03320	0.2
260.04785	0.4
261.05527	0.6
262.06415	0.5
263.07016	2.5
264.07886	0.4
265.04990	0.5
266.05780	0.3
274.06320	0.5
275.03513	0.3
275.07141	0.7
276.04218	1.3
277.05042	11.3
278.05432	0.5
279.06781	0.2
289.04953	0.2
291.06604	3.4
292.07333	1.7
293.04556	6.1
294.05090	0.2
303.02936	1.2
304.03699	0.3
305.04608	0.2
306.05219	0.2
307.06042	0.6
307.09723	0.6
309.03976	0.7
319.05850	0.2
320.03247	6.0
321.04004	9.7
322.04443	0.4
333.20624	0.2
335.05603	18.9
336.06360	21.3
337.06921	0.9
351.08719	100.0
352.09076	4.6
513.14178	1.2
513.20160	0.4
513.27014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03441	0.2
58.00597	0.1
59.01377	7.0
65.12399	0.0
65.50326	0.1
69.03455	0.1
69.10464	0.3
71.01378	4.2
72.99313	0.1
73.02943	1.2
75.00894	0.0
75.47703	0.1
83.01385	0.6
83.05018	0.1
85.02952	0.9
87.00871	0.5
89.02442	3.3
91.04006	0.2
92.71088	0.0
94.96612	0.1
95.01400	0.4
96.16624	0.0
97.02949	0.2
97.06599	0.1
99.00874	0.2
99.04514	0.1
101.02437	3.9
103.04033	0.2
109.97050	0.1
111.04522	0.1
113.02450	1.8
113.06129	0.1
115.04042	0.1
119.03487	1.0
125.02455	0.2
127.04005	0.1
127.07648	0.3
131.03508	0.2
133.05054	0.4
143.03516	0.4
145.05066	0.1
149.04559	0.1
157.05034	0.3
161.04558	1.7
179.05577	0.5
182.13159	0.1
195.77144	0.1
205.19507	0.1
233.22752	0.3
235.08231	1.2
242.45062	0.1
253.09277	15.9
254.09767	0.3
259.20596	0.4
275.20059	0.3
277.21707	100.0
278.22037	3.9
310.97620	0.1
316.86047	0.1
350.05750	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93079	0.1
55.01864	0.4
57.03422	0.2
58.88016	0.1
59.01377	6.7
61.98827	0.1
69.03443	0.1
71.01376	4.2
72.99277	0.1
73.02944	1.2
75.06980	0.1
75.54528	0.1
77.78998	0.1
81.03416	0.1
83.01379	0.6
83.05010	0.2
85.02950	1.0
87.00859	0.4
89.02442	3.7
91.03970	0.2
95.01346	0.3
99.00845	0.2
99.04457	0.1
101.02442	4.6
103.03999	0.1
113.02448	2.1
115.03989	0.1
119.03492	1.1
125.02415	0.2
127.07612	0.2
131.03456	0.2
133.05124	0.4
143.03491	0.3
149.04555	0.1
157.05058	0.3
161.04558	1.7
162.83800	0.1
179.05602	0.5
182.13092	0.1
195.36716	0.1
205.19522	0.1
233.22810	0.4
235.08197	1.3
253.09268	14.9
254.09666	0.3
259.20453	0.3
260.27405	0.1
275.20016	0.4
277.21707	100.0
278.22040	3.9
278.25150	0.2
307.22470	0.1
381.21130	0.1
465.31100	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62033	0.4
56.48159	0.6
59.01366	3.0
61.98819	1.6
63.58518	0.5
67.05993	0.5
68.45657	0.5
71.01373	0.8
81.03404	0.4
82.06628	1.1
85.02963	0.6
99.00922	0.6
106.35416	0.6
113.02460	0.6
114.52840	0.6
121.04079	2.3
122.04864	1.7
137.07204	13.7
151.08760	1.0
162.08035	0.7
177.10330	15.1
179.08260	2.0
191.08321	0.7
195.11375	92.2
196.11659	1.6
232.14558	1.1
236.10545	0.5
237.14839	1.0
250.15578	0.7
293.17389	4.3
308.19785	37.1
309.20016	1.2
334.17697	1.7
342.89566	0.6
352.18750	100.0
353.19116	2.7
514.25476	2.1
515.28674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51364	0.1
59.01377	0.2
61.98828	100.0
69.23500	0.3
80.83727	0.1
96.96051	0.1
106.92387	0.1
122.66044	0.1
215.21249	0.1
237.05353	0.1
262.77231	0.1
454.34088	0.1
514.33038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.122
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
59.01374	4.6
59.52907	0.3
61.98847	1.8
71.01380	2.1
73.02947	0.5
79.95735	23.8
80.96535	0.7
85.02946	1.6
87.00898	0.5
89.02431	1.7
95.95230	11.1
96.96008	100.0
101.02450	1.6
110.97576	5.9
113.02438	0.8
119.03509	0.6
121.02946	0.4
123.00864	0.4
125.02409	0.8
134.03679	0.3
137.02417	0.7
138.03206	0.5
149.02412	0.6
150.03206	1.0
151.03964	0.6
152.01071	0.4
153.05624	0.3
165.05557	0.8
166.02663	0.6
167.00177	2.3
167.03551	0.4
175.03993	0.5
177.01921	0.9
177.05571	0.5
179.03548	0.6
192.04294	0.5
193.05020	0.6
195.06586	0.8
228.57034	0.4
237.05627	0.4
241.05171	0.5
252.49281	0.4
262.06430	0.5
271.09686	0.9
279.06601	0.7
289.03857	1.4
303.11890	0.7
307.06137	1.8
335.05557	5.7
345.09595	0.4
353.06647	6.4
357.13611	0.5
361.06073	0.8
375.10828	0.4
405.12027	1.1
429.08661	0.5
454.23328	0.4
455.21826	0.8
455.32318	0.9
457.07651	0.4
485.07669	5.3
500.09900	3.2
515.12250	83.6
516.12347	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.1
57.57994	1.4
59.01377	100.0
61.74072	1.4
61.98820	6.7
63.29756	1.5
64.60973	1.3
69.03446	2.3
69.31964	2.6
69.32365	4.9
71.01389	15.5
73.02934	4.7
82.95374	1.5
83.01354	2.3
85.02950	5.0
87.00835	1.7
89.02421	8.8
96.95994	2.8
99.04532	5.3
100.93377	5.4
101.02450	11.5
103.73934	1.4
107.04962	1.8
113.02442	10.5
115.92065	5.8
116.92844	2.8
119.03481	3.6
125.02445	2.0
133.06593	1.8
148.08949	2.3
161.04498	2.8
161.13315	7.9
162.13831	1.5
179.05562	1.8
185.13379	4.2
187.11299	27.2
203.14397	4.4
205.12326	26.4
219.13844	2.5
223.13316	2.9
229.12268	12.9
247.13335	4.8
249.11308	9.4
251.16571	3.2
259.13318	3.8
265.14285	2.2
267.12433	3.0
277.14471	1.9
282.15262	1.6
291.12555	2.3
309.13412	16.3
351.14468	3.9
381.15335	1.8
411.16431	13.6
471.22910	21.9
479.14056	2.7
515.15936	2.0
515.28363	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01378	100.0
61.98821	3.2
67.88757	0.9
69.11015	1.5
69.11414	4.3
71.01382	9.3
73.02942	5.5
78.84760	0.9
79.23730	0.9
83.01373	1.5
85.02958	4.3
87.00865	2.2
89.02448	7.4
95.01365	1.2
95.05040	1.0
96.96001	2.7
97.06594	1.5
101.02455	8.2
105.11183	0.9
107.05045	2.0
109.02990	1.2
110.50082	0.9
113.02454	8.0
116.92876	0.8
118.60857	0.8
119.03503	3.7
120.05783	1.2
123.04457	0.9
135.04509	1.2
157.06563	0.9
159.08125	1.1
159.11774	1.4
161.09744	2.6
161.13356	7.0
179.05679	1.0
187.11278	23.9
189.09242	1.1
205.12320	23.4
223.13426	8.2
229.12404	5.8
247.13412	1.3
249.11261	5.3
265.14645	2.2
267.12430	7.9
309.07831	2.2
309.13486	12.5
353.06473	1.5
471.19373	2.2
515.29059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
56.83912	1.9
57.03445	3.3
57.44080	1.7
59.01379	65.4
59.84864	1.3
61.98819	4.0
69.03449	12.1
69.21137	6.1
69.21541	3.5
71.01380	14.4
73.02939	5.8
77.44145	1.4
77.84560	1.4
83.01357	2.0
85.02941	12.3
86.99553	1.4
88.04032	9.5
89.02444	5.5
95.01481	1.3
96.96017	5.3
99.04524	6.5
100.93343	3.3
101.02451	12.8
102.50617	1.5
109.81557	1.4
113.02451	22.3
114.03252	2.5
116.92850	1.8
119.03490	2.0
121.34385	1.4
125.02503	1.7
129.61981	1.5
135.34233	1.6
161.13339	2.4
177.01848	2.5
185.13359	1.7
187.11290	8.8
205.12332	10.2
223.13321	1.9
229.12306	4.1
247.13536	2.0
249.11292	3.6
251.16484	10.0
267.12271	4.1
267.15988	2.9
309.13354	3.3
351.14548	2.1
362.17709	1.6
411.15671	1.7
411.20529	3.5
429.21365	8.7
471.22372	100.0
472.23474	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01377	27.5
59.62453	0.7
61.98832	4.7
69.03457	1.7
69.44277	3.2
71.01385	4.1
73.02947	3.7
76.00045	0.7
77.78674	0.7
78.95902	0.9
81.07108	0.8
83.01391	1.0
83.05016	1.1
83.73813	0.7
85.02945	2.9
87.04519	1.4
89.02431	1.7
95.05001	1.5
96.96008	24.4
96.96944	1.6
98.22641	1.5
99.04504	1.7
100.61168	0.7
101.02480	3.7
103.04002	1.1
111.00838	0.9
113.02456	1.3
116.92741	0.9
119.03508	1.0
123.00934	1.1
135.11786	2.3
153.09238	5.1
161.04573	1.4
167.10710	0.8
179.10776	16.7
199.02232	0.7
241.79573	0.7
249.15028	1.6
267.16000	100.0
268.16354	3.0
281.04453	1.4
309.04169	1.2
309.17050	1.7
324.06415	5.0
339.08670	2.1
343.15811	1.0
476.00378	0.8
495.39172	1.0
515.11993	3.0
515.29163	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.3
59.01378	93.0
61.98825	4.0
69.03457	12.3
71.01379	17.2
73.02940	10.3
73.64204	1.5
82.95468	1.6
83.01402	1.9
83.05019	2.3
85.02954	15.3
87.00892	2.6
89.02441	8.8
89.07510	1.4
96.95997	1.8
97.06601	1.5
98.21788	3.1
99.04526	7.1
100.93376	4.3
101.02445	12.5
107.05013	1.4
113.02447	27.6
114.03223	4.3
115.92093	1.6
116.92871	2.7
119.03447	2.4
119.56486	1.3
123.27779	1.3
125.02506	1.7
130.64449	1.4
143.03442	1.6
159.04515	1.6
161.04555	3.6
161.13341	5.2
177.01917	3.0
179.05705	1.8
185.28230	1.4
187.11276	10.5
203.14267	1.5
205.12311	14.1
207.17622	1.8
223.13560	2.6
229.12312	7.2
247.13359	2.6
249.11299	4.3
251.16411	6.8
254.51198	1.5
267.12439	4.0
309.13452	8.5
411.16165	3.0
411.20779	2.3
429.21414	8.1
471.22385	100.0
472.22763	3.9
515.15723	5.7
515.28680	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03450	0.1
58.00594	0.1
59.01376	6.8
69.03463	0.1
71.01377	4.2
72.99297	0.1
73.02939	1.1
75.00883	0.1
78.95900	0.1
83.01376	0.6
83.05007	0.1
85.02948	1.0
87.00877	0.6
89.02438	3.3
91.04002	0.2
95.01406	0.4
97.02953	0.2
99.00883	0.2
101.02439	4.1
103.03994	0.1
113.02444	2.0
115.04020	0.1
116.34485	0.0
119.03497	1.0
125.02435	0.1
129.01993	0.1
131.03493	0.1
133.05051	0.4
143.03517	0.4
145.05135	0.1
149.04588	0.1
157.05028	0.2
161.04547	1.6
167.01099	0.1
179.05620	0.6
216.90460	0.0
230.21111	0.1
235.08241	1.1
253.09274	14.7
254.09578	0.3
261.22244	0.3
279.23270	100.0
280.23608	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44102	1.1
59.01377	1.4
61.98831	2.2
69.03446	1.3
71.42305	1.7
78.93208	1.1
78.95885	1.1
93.66218	1.2
125.87316	17.5
126.88116	8.3
127.87048	11.5
127.87900	1.9
128.87820	4.9
151.11340	1.5
153.12961	1.6
155.88425	1.5
157.86302	4.7
159.86076	2.2
165.12866	1.8
167.10747	1.7
168.89221	1.4
179.14441	2.1
181.12312	2.3
184.67188	1.2
185.62907	1.5
195.13939	4.5
197.11934	1.8
205.12346	5.8
207.13893	1.6
215.12904	1.8
223.13377	34.1
224.13780	2.2
237.80452	1.4
245.19060	1.3
247.20657	3.0
264.87704	1.2
273.18506	1.4
279.23306	1.6
291.19659	34.6
309.20709	100.0
310.20901	3.5
355.91983	1.3
405.10474	11.4
406.10858	15.2
407.10287	14.9
409.14087	1.2
478.13449	4.7
479.13837	10.5
479.31491	1.7
480.13226	9.7
483.57736	1.2
497.32523	10.1
498.14828	1.4
498.32980	1.7
515.33179	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03138	0.8
55.70018	0.9
66.14536	0.9
68.80273	0.9
70.70106	2.0
77.34896	0.8
80.57241	0.8
106.04227	1.1
120.98833	0.8
122.27732	1.0
137.07938	0.9
163.11292	27.9
175.11192	1.3
176.12068	1.8
177.12840	4.0
208.10973	1.5
281.15546	1.3
282.16251	3.6
283.17160	5.0
339.23270	100.0
340.23575	3.3
351.23392	5.7
454.33768	0.9
515.35291	56.3
516.35876	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16169	1.1
57.03428	1.5
59.01377	40.7
59.66097	1.3
61.98818	5.4
66.99805	1.1
71.01381	21.7
71.42405	1.6
73.02946	1.7
76.38375	1.4
83.01344	1.1
85.02943	3.4
88.64041	1.2
89.02443	22.0
93.03468	1.8
96.95994	2.5
101.02440	86.8
101.06094	1.6
102.99096	1.4
113.02416	8.3
119.03519	7.5
135.04494	3.9
136.04845	2.5
143.03510	2.1
161.04614	1.6
161.77469	1.3
164.07149	1.3
173.04527	4.0
174.04887	2.8
179.03516	4.1
179.05540	6.6
180.03842	3.2
191.05623	2.1
197.68770	1.2
220.85695	1.3
248.09065	1.4
258.90509	1.2
304.50104	1.4
314.43732	1.3
325.11383	100.0
342.09238	2.1
516.14374	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
61.98832	14.8
70.97730	16.9
82.21608	12.6
87.98253	12.7
142.39313	11.6
145.83139	11.2
156.86447	11.1
211.13329	18.7
255.61201	13.8
266.22687	11.7
269.45276	12.9
291.19611	100.0
417.23978	14.5
473.32660	31.3
481.29752	21.5
495.66278	16.7
499.30487	19.3
502.45883	14.9
517.31732	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	62.7
69.61419	100.0
69.61813	96.4
84.66192	41.4
106.47035	40.1
166.63980	40.1
216.64740	43.4
370.01807	52.4
396.56030	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.9
61.98832	100.0
69.49927	53.2
95.70293	20.1
117.79088	20.5
155.96281	23.7
161.75102	19.1
357.53519	19.5
378.83762	21.3
475.29648	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.1
61.98834	100.0
112.52376	17.6
118.66827	17.5
136.34520	18.4
144.16611	17.1
150.50456	17.4
160.84244	30.4
178.46252	15.2
200.65483	17.5
227.07190	20.0
293.56311	17.8
322.05463	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.03441	1.1
59.01377	23.7
61.31568	0.6
61.98822	0.8
69.03423	0.7
71.01382	16.9
71.43250	0.7
72.91201	0.6
73.02938	3.3
83.01390	1.8
85.02947	6.1
87.00881	8.2
89.02448	14.3
90.93343	1.3
95.01387	1.6
96.95993	2.0
99.00890	1.7
101.02448	9.0
104.02705	1.0
108.02160	1.2
112.98633	0.7
113.02433	7.9
114.93403	2.9
115.00375	1.4
115.04021	1.1
116.92786	0.7
117.03474	4.8
119.03502	3.1
120.79883	0.7
123.04529	2.0
125.02447	0.8
131.03523	1.3
131.97707	0.7
132.02176	15.9
132.03148	1.2
133.02950	1.9
134.03740	70.1
135.04474	1.1
141.01912	0.6
143.03497	1.0
146.08223	0.9
147.04509	1.7
148.05338	1.1
149.04599	2.2
149.06076	10.4
160.01656	74.7
161.02174	0.7
161.04549	2.9
164.04739	0.8
173.06091	1.3
175.04001	100.0
176.04749	6.4
177.02017	0.7
178.02698	5.1
179.05658	1.7
191.07094	7.7
193.05055	86.7
194.05370	1.6
205.12354	1.2
207.06584	3.6
217.05164	1.1
223.06152	0.8
223.13347	2.6
235.06113	26.2
236.06499	0.9
265.07190	8.0
293.08810	0.8
295.08182	8.7
307.94702	0.8
323.09839	1.5
326.89578	0.8
337.09164	7.5
341.00259	0.6
341.10867	2.1
354.68390	0.7
355.10498	4.8
475.07196	0.9
517.15601	72.7
517.22552	3.0
518.16040	2.5
518.26300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79215	0.4
57.03450	0.8
59.01377	100.0
61.98841	0.6
66.43561	0.5
70.67249	0.7
71.01382	13.7
73.02945	6.3
74.12714	0.5
83.01397	1.2
85.02940	4.9
87.00878	1.1
89.02438	8.7
94.06001	0.5
95.01402	2.5
97.02921	0.6
99.00877	1.3
100.93363	0.9
101.02438	9.0
108.02204	0.7
113.02447	19.8
115.92056	0.6
116.92854	0.9
119.03487	3.7
128.06952	0.4
131.03549	0.8
143.03520	1.8
149.04591	0.6
157.37843	0.5
161.04579	5.1
167.03523	1.9
179.05646	2.3
182.49657	0.5
186.79485	0.5
190.20457	0.5
286.31100	0.5
358.57309	0.5
397.22290	25.0
398.22708	1.1
415.23392	7.7
457.24539	3.1
500.91104	0.5
517.18744	1.4
535.83667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39897	0.3
59.01364	0.9
60.19950	0.3
69.10880	1.8
71.01374	0.5
72.00920	1.4
72.58598	0.3
73.02938	0.4
74.02466	3.2
78.58539	0.3
80.05064	0.7
82.06615	1.0
84.00893	0.4
84.08141	0.2
86.02429	0.3
86.81092	0.3
89.02464	0.4
91.29022	0.3
93.03461	2.7
98.01218	0.4
98.21864	0.5
106.04265	0.7
107.05032	0.9
111.02010	0.9
112.02780	1.6
112.07677	1.1
117.80068	0.3
119.05032	9.4
121.04056	0.3
126.09229	0.8
126.60859	0.3
129.10356	16.8
130.08707	0.4
133.05321	0.8
134.06136	5.1
136.07683	1.4
139.05196	0.8
139.08800	0.7
140.07162	1.0
141.06725	0.5
141.10361	0.5
143.11909	6.7
148.35422	0.3
150.03261	0.6
151.08760	0.9
153.08031	0.3
155.08275	25.9
155.11844	0.6
163.04012	5.9
165.05611	0.8
165.13918	1.7
169.09834	3.4
180.06667	22.5
181.07062	0.6
183.11435	2.6
187.10847	1.9
191.11911	0.3
192.10291	0.5
193.04985	0.5
197.14838	0.4
197.16582	3.5
200.14122	0.4
209.13026	0.5
218.06952	0.4
221.15298	1.1
223.14552	0.7
225.11349	0.4
228.17169	0.4
231.07683	0.5
232.13412	0.6
240.17149	0.7
247.14552	0.6
249.16081	9.9
261.22351	0.3
275.14001	4.2
292.23999	1.1
293.15079	11.3
294.15512	0.6
336.22849	1.8
346.21347	0.9
348.22949	0.3
358.17688	1.2
373.20050	0.4
411.26300	0.3
473.31262	1.2
517.30304	100.0
518.16724	0.8
518.30591	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.317
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
59.01367	1.4
61.98828	10.9
69.94627	1.0
83.05017	1.0
92.27227	0.5
95.05030	0.7
95.83714	0.4
97.02959	1.4
97.06581	1.5
99.00869	0.5
107.05027	0.4
109.06594	1.5
110.03714	0.9
111.08160	1.0
117.07079	0.9
119.08542	0.5
123.04504	0.7
123.08171	1.3
125.09743	0.7
136.05269	0.5
152.99577	0.6
163.11269	1.8
165.12813	1.3
167.10675	0.4
172.08936	0.7
181.12344	6.0
185.11853	0.7
207.10249	11.2
208.10423	0.5
223.09602	0.5
225.11324	32.5
226.11667	0.8
231.13972	0.4
247.20601	0.8
257.15555	1.2
275.20151	1.3
277.21771	0.9
281.22876	0.6
287.12839	0.6
291.19626	10.2
301.14337	1.0
311.20120	0.7
313.21539	0.6
315.23322	0.9
325.21860	0.8
327.23334	0.8
329.24841	0.6
353.24686	0.6
355.19040	0.7
375.30457	0.4
393.31625	6.9
411.32565	2.6
419.29413	2.6
430.23633	3.5
437.30640	7.4
441.99594	0.4
455.31686	13.2
456.31787	0.9
463.28430	0.6
481.29721	4.4
499.30652	100.0
500.31042	6.3
517.31720	1.6
521.63654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42701	0.8
59.01384	5.8
61.98833	9.2
71.01385	2.7
72.68449	0.8
72.93424	0.8
73.02949	1.1
82.95416	2.3
84.85872	0.8
85.02950	1.8
89.02448	2.1
93.03452	2.6
96.96034	1.6
98.21879	2.7
98.95609	2.1
100.04034	1.9
101.02448	1.7
102.05595	4.7
105.03514	1.0
108.02173	1.4
116.92824	1.2
121.02943	4.4
122.03768	11.0
123.04518	3.4
128.03546	14.7
132.02138	1.0
133.02950	2.4
134.03738	42.0
135.04541	2.4
136.01649	1.1
146.04648	5.2
147.04527	6.6
148.05315	1.2
149.02452	17.6
149.04723	1.0
149.06078	26.7
150.03223	78.7
151.04012	8.3
160.01643	4.4
160.03859	1.0
161.02451	1.9
161.05988	1.1
162.03189	1.3
162.06871	7.0
164.04778	4.6
165.05560	69.9
166.05943	1.2
175.03972	12.3
175.07645	2.2
177.04210	0.9
178.02719	1.7
180.04265	6.2
181.04996	4.7
193.05043	24.5
193.06737	1.6
194.05374	0.9
195.06618	20.5
203.05870	2.5
204.06648	1.9
218.08247	3.6
219.08890	1.4
232.09799	2.7
244.06212	1.2
245.06795	1.3
258.07654	0.9
260.09210	2.2
277.09537	7.8
278.10306	6.3
304.08365	3.6
321.08469	0.9
322.09119	1.4
333.39951	0.9
336.10950	3.8
341.10663	1.6
389.12344	7.4
394.12204	1.0
426.15530	1.6
446.20319	0.8
470.14377	1.4
474.17822	1.5
500.15680	15.1
518.16718	100.0
518.24817	3.4
519.16962	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01381	56.4
60.01718	1.4
61.98830	100.0
69.03464	0.8
71.01383	9.8
71.09674	0.6
73.02948	24.2
83.01394	5.8
85.02950	1.8
89.02444	4.5
95.01379	0.6
96.96012	0.5
97.02966	0.6
99.04520	0.5
100.93422	0.5
101.02451	18.2
113.02451	8.1
115.03950	0.5
115.92030	1.2
116.42319	0.4
116.92129	0.6
116.92833	3.3
117.92853	1.3
119.02758	0.4
119.03501	2.5
120.15712	0.4
125.02447	0.7
131.03528	2.0
143.03517	2.7
149.04562	3.2
151.00345	0.4
155.03467	0.5
161.03427	0.6
161.04562	7.4
174.82002	0.4
189.12769	1.9
203.05531	1.0
221.06482	1.5
267.19275	0.4
271.05896	0.6
292.33527	0.5
371.10489	0.4
398.22330	0.5
415.23395	0.9
518.09473	1.4
518.23163	0.7
518.29974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17862	0.5
55.01876	0.6
59.01380	52.4
60.01708	1.0
61.98831	100.0
70.04448	0.5
71.01386	8.1
71.92741	0.6
73.02945	14.3
83.01392	4.0
85.02955	2.5
87.00880	0.6
89.02446	3.9
96.96050	0.6
97.39035	0.5
99.04548	1.0
101.02447	14.0
106.72100	0.5
113.02441	7.1
114.02779	0.9
119.03493	3.3
125.02420	0.7
131.03479	1.1
137.09761	2.5
143.03517	2.9
149.04588	3.0
150.97935	0.6
161.04568	6.7
177.10902	0.6
194.51454	0.7
203.05647	1.0
221.06720	1.5
271.02817	0.7
380.46341	0.7
521.92157	0.6
524.79584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
59.01378	85.7
60.01709	4.8
61.98828	100.0
69.03436	0.7
70.05513	1.1
71.01379	12.0
72.01732	0.8
73.02942	17.5
75.00860	0.6
83.01379	5.7
85.02937	3.3
87.00854	1.0
88.04072	0.7
89.02446	6.4
95.01451	0.7
99.00883	0.8
99.04534	0.9
99.92576	1.0
101.02438	17.9
104.71830	0.6
112.07350	0.6
113.02454	8.9
115.92101	0.6
116.92837	4.1
117.92854	1.1
119.03486	2.7
121.39514	0.5
125.02461	0.7
131.03487	2.0
133.81900	0.5
143.03505	1.4
149.04559	3.0
155.03441	0.7
161.04555	6.5
173.04567	0.7
187.22345	0.5
193.51176	0.6
203.05464	0.6
221.06584	1.1
254.93265	0.7
267.06073	0.6
315.36945	0.6
357.13361	3.2
398.22278	2.1
415.23257	1.4
416.23471	1.0
458.24582	1.3
474.23117	0.8
518.10101	1.1
518.23010	0.7
518.30225	4.0
519.19714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17587	0.7
54.12987	0.7
56.74987	0.7
58.57298	0.7
61.98821	6.4
78.95905	72.4
91.92454	0.7
96.96963	5.3
104.83306	0.7
150.98029	2.3
152.99588	100.0
161.48589	0.7
171.00641	2.0
277.21683	2.1
414.48413	0.8
431.22021	45.6
432.22464	1.9
518.25073	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85576	0.5
54.86069	0.4
59.01376	1.5
59.61676	0.5
61.98829	100.0
65.57188	0.5
71.01395	0.8
76.37896	0.5
78.95911	5.2
95.05052	0.5
97.02943	0.6
109.06611	1.9
110.03705	0.4
111.60723	0.4
152.99564	7.9
156.06125	0.4
163.11276	1.3
165.12891	0.9
171.00700	0.9
181.12346	1.6
199.09737	0.7
202.53561	0.5
207.10263	6.5
207.14037	0.5
208.10635	1.5
211.13324	0.7
225.11316	11.6
226.11638	5.9
240.51660	0.5
282.16437	0.5
291.19669	2.6
292.20041	3.0
312.46228	0.4
333.24408	1.8
393.31750	0.9
394.31805	3.0
412.33154	1.5
420.29913	1.0
431.22180	2.2
438.31149	3.1
455.31683	0.8
456.32001	5.9
482.30087	1.8
499.30515	3.6
500.31000	47.1
501.31525	1.8
518.25183	0.5
518.32336	0.7
519.26978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72269	0.8
56.45764	0.8
59.01362	1.0
60.65355	0.9
61.98827	100.0
81.24876	0.8
98.21763	1.3
106.07356	0.8
116.71989	0.9
131.45389	0.8
135.31165	0.9
144.74521	1.0
156.90552	0.8
207.10249	1.0
211.13264	1.8
225.11314	3.6
226.11539	2.2
281.32272	0.9
291.19629	1.5
292.19919	1.0
394.23227	1.0
500.30997	3.4
500.66714	0.9
501.31757	1.8
518.32104	3.3
519.33099	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.05338	1.0
61.98833	2.5
69.29105	3.8
69.29506	2.0
71.01388	11.9
73.02943	4.3
75.00845	1.0
83.01358	3.0
83.04999	1.6
85.02946	8.0
87.00864	1.4
89.02435	3.7
91.61464	1.1
93.81796	0.9
101.02453	10.0
113.02450	5.2
119.03479	1.1
128.86469	1.0
129.01976	1.9
133.02995	1.5
134.03700	2.0
161.04550	3.2
177.01894	2.1
178.02716	1.8
279.99612	1.1
328.14316	1.3
333.44504	1.1
345.16937	1.8
379.21259	4.5
389.14587	1.1
397.22357	11.8
439.23328	8.6
519.31531	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01385	6.1
60.68624	0.9
61.25518	0.9
70.92309	1.2
71.01387	1.3
71.05020	7.5
73.02946	4.2
83.05029	1.1
85.02944	2.4
86.97163	0.9
95.05032	5.3
97.06596	2.9
109.06560	1.2
111.04517	1.9
112.17731	0.8
113.06093	25.6
121.06626	1.6
123.08160	3.3
125.06104	1.8
137.06091	1.4
139.06755	1.1
139.07622	5.9
153.05595	1.6
169.10303	2.0
187.11310	1.8
199.11343	2.0
210.02954	0.9
217.12363	4.8
253.14505	1.3
297.13437	100.0
298.13702	3.1
339.14389	3.3
452.10678	1.0
456.38193	1.1
460.02115	1.0
513.28882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.29886	8.3
71.01382	22.2
73.02946	61.2
83.01392	13.1
85.02952	5.9
85.71931	1.1
89.02443	8.4
95.01357	1.6
101.02447	43.3
103.04036	2.0
113.02455	14.6
119.03474	5.8
119.04246	1.5
125.02460	1.6
131.03493	5.6
143.03482	6.0
149.04564	7.5
153.57123	1.4
156.45535	1.3
161.04544	14.2
163.06046	1.9
174.18654	1.4
205.07101	1.4
221.06676	3.3
265.09235	1.6
461.76492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90730	0.6
55.01874	1.2
57.03450	1.5
59.01379	100.0
59.87600	0.5
60.01702	0.6
69.03429	0.7
69.12601	2.9
71.01379	25.6
72.99295	0.5
73.02945	17.8
83.01393	4.1
85.02949	8.6
87.00874	1.2
87.04535	0.7
89.02443	14.0
95.01385	2.6
95.37536	0.5
97.02949	0.9
99.00885	1.6
101.02441	16.6
101.03096	0.8
108.02216	1.5
113.02443	15.3
118.73723	0.5
119.03517	5.6
121.02959	1.1
122.03718	0.7
123.04549	0.9
125.02462	1.7
131.03528	1.4
136.01656	12.8
136.02599	1.0
143.03500	2.9
147.11792	0.7
149.04578	1.5
151.04005	21.3
151.05235	1.1
159.03043	0.7
159.04567	0.7
161.04558	10.0
179.05551	2.6
203.07289	1.4
210.05481	0.8
271.19199	1.6
339.12433	1.8
342.11319	0.8
357.09131	1.3
357.13455	19.8
358.13791	1.3
415.23355	44.2
416.23782	2.3
433.24307	5.4
475.25610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
57.03430	1.9
59.01381	100.0
61.01795	1.4
61.98810	3.6
64.53237	1.3
69.03461	1.4
69.61381	1.9
69.61779	3.8
71.01382	32.9
73.02947	41.3
82.95411	9.1
83.01369	10.1
84.95100	2.5
85.02956	11.2
87.00867	3.4
88.71322	1.2
88.98798	3.6
89.02438	20.4
93.03446	4.4
95.01384	3.0
96.96016	3.0
97.02961	1.8
98.21947	2.6
99.00875	2.8
99.92571	2.3
101.02448	35.0
108.02211	1.6
111.00848	2.1
113.02448	26.3
116.92853	3.4
119.03509	7.9
125.02448	1.6
126.20013	1.3
129.10277	1.7
130.08731	4.0
131.03503	3.5
133.02907	1.6
135.04529	1.3
137.02417	5.3
143.03459	3.1
149.04529	7.3
161.04567	12.7
174.72087	1.4
178.03162	1.3
179.05685	2.8
191.05550	2.0
205.05084	7.2
410.46191	1.2
415.23334	13.3
433.24402	3.3
463.22202	1.6
475.21112	1.8
475.25949	2.3
481.13651	5.9
519.24677	10.1
519.31219	4.5
519.75354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20683	49.1
69.21078	34.6
78.95882	32.2
84.88319	13.6
96.96011	100.0
98.21930	28.9
153.71486	14.4
156.80479	13.9
174.31738	13.0
179.61998	15.0
185.02182	32.4
230.56209	14.0
237.24788	15.1
248.94695	17.1
503.76135	17.9
544.38501	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	1.8
61.98826	11.8
78.95901	48.7
87.02343	1.5
96.96956	2.3
99.66376	1.6
110.98524	17.7
125.09661	2.4
134.23914	1.4
152.99588	39.0
153.99843	3.0
163.11244	1.8
165.09140	2.2
167.01143	15.2
185.02110	4.2
202.94107	4.8
211.13258	1.9
235.17039	1.5
245.19025	1.5
265.18112	1.5
289.25293	3.3
309.20959	1.6
317.43121	1.6
333.24319	100.0
334.24432	2.7
351.21301	2.1
351.25369	30.1
352.25684	1.5
393.26129	1.6
422.33798	1.3
432.22464	7.9
441.20761	1.4
483.31409	1.2
501.31567	5.0
519.27002	52.3
519.33502	7.4
520.27112	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94065	0.3
55.01883	0.3
57.01863	0.3
59.01377	100.0
60.01697	0.6
60.16523	0.3
61.98826	0.4
69.34253	1.5
71.01389	4.5
73.02943	1.9
75.64365	0.3
79.68148	0.3
83.01388	0.9
85.02944	1.5
87.04513	0.4
89.02445	2.0
93.03473	0.3
95.01393	0.6
97.02940	0.4
98.22689	0.4
99.00901	0.6
101.02431	3.7
101.06100	0.8
113.02448	2.7
119.03511	0.6
125.02409	0.4
143.03529	0.3
149.04453	0.3
161.04530	1.8
167.41891	0.3
174.24117	0.3
179.05623	0.5
194.62912	0.3
211.33463	0.3
255.19643	0.4
266.06003	0.5
267.06665	0.5
281.08133	0.7
289.88287	0.3
297.21143	0.3
399.23849	9.1
417.24936	8.1
417.30328	0.6
418.24832	0.4
459.25412	2.0
489.19153	2.6
519.32477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94112	0.2
55.48835	0.2
57.03445	0.5
59.01379	100.0
60.01708	0.4
60.68592	0.3
67.44061	0.2
69.72694	0.6
69.73058	0.6
70.33174	0.3
71.01384	3.2
73.02937	1.3
74.77049	0.3
75.56026	0.2
80.88810	0.3
83.01380	0.5
83.33176	0.3
85.02963	2.1
87.04543	0.4
89.02467	1.0
98.21888	0.4
99.00890	0.5
101.02434	1.7
110.79818	0.3
113.02444	3.4
143.03453	0.3
144.08977	0.3
161.04530	1.7
180.24168	0.3
205.05072	0.3
241.10854	0.2
399.23874	13.6
400.24234	0.5
417.24945	3.3
418.25439	0.4
459.26089	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03452	1.1
59.01379	100.0
60.01704	1.0
61.98837	4.9
69.17808	3.6
71.01381	9.4
72.99348	0.5
73.02946	5.2
75.00874	1.3
78.11047	0.6
78.19476	0.6
82.95448	0.8
83.01395	1.3
85.02943	4.7
87.00917	1.3
89.02446	4.8
93.03484	1.7
95.01392	0.7
98.22595	1.3
99.00890	0.7
101.02440	8.3
110.60976	0.5
111.00913	0.7
113.02454	5.8
117.44242	0.6
119.03540	1.8
125.02470	0.9
137.02502	1.6
143.03522	0.6
161.04601	1.6
169.12376	0.6
176.01462	0.6
191.05717	1.0
219.60498	0.6
255.19690	0.7
338.26581	0.6
345.17200	1.3
368.95279	0.7
399.23819	18.6
417.24899	9.5
459.26151	2.2
519.18933	0.9
519.31671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3325
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
59.01374	10.2
61.98829	18.4
65.93203	1.9
69.46486	6.7
69.46895	3.2
74.70927	1.7
79.46275	1.9
92.48111	2.0
96.96034	2.4
97.06606	2.2
99.92585	2.2
103.01514	3.8
116.92843	2.1
121.81123	1.8
130.56383	1.8
135.04538	2.5
160.84174	1.8
162.58148	1.7
171.10266	13.5
185.11841	4.9
209.11824	2.5
227.13066	2.4
231.17523	4.8
237.31639	1.8
278.15244	4.6
285.22183	8.3
291.19632	4.5
315.19427	2.5
329.21332	10.1
333.20847	3.3
347.22241	7.3
390.80542	2.3
393.26392	5.5
450.26422	3.3
457.33441	3.1
483.31201	9.2
501.32224	23.8
519.33258	100.0
520.33557	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68229	1.0
59.01376	4.7
61.98829	5.9
70.25509	1.6
71.01378	2.3
76.37787	1.1
89.02435	1.9
93.03455	2.8
94.86247	1.0
96.96025	1.2
101.02443	1.9
110.85056	1.0
116.92883	2.8
117.92812	1.4
119.05022	1.6
125.02498	1.3
128.03557	1.3
132.02216	1.5
137.02440	1.5
149.79077	1.2
150.03125	1.3
163.00372	11.2
163.03943	1.7
165.01901	1.3
165.05675	1.1
175.00342	2.8
177.01935	1.4
195.04509	1.2
195.06439	1.3
196.05252	1.2
202.99820	1.8
211.03903	2.9
212.04796	2.4
213.05533	1.6
223.04036	1.4
224.04663	1.9
225.05611	3.5
226.02779	2.2
226.93254	1.2
239.03481	28.9
239.07127	1.3
240.04265	6.2
241.05025	11.0
251.03557	1.9
253.05064	1.9
267.02982	9.9
268.03778	20.9
269.04523	19.5
284.05606	1.6
285.04022	4.4
296.03250	62.3
297.03998	33.3
298.04797	6.6
312.05164	25.0
326.06772	8.5
357.08554	3.1
457.13300	2.4
459.09302	66.2
460.09622	3.0
520.14636	100.0
521.15247	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88749	0.9
52.22416	0.8
59.01382	8.4
61.98825	7.9
67.20977	1.0
69.93837	1.0
69.94171	2.3
71.01362	5.1
73.02924	2.3
74.02473	1.8
74.87671	1.0
75.00858	1.2
76.74760	0.9
82.95390	2.4
84.04544	9.1
84.95110	1.2
85.02942	2.4
89.02439	3.8
93.03482	1.2
96.96001	3.0
98.21992	1.5
101.02442	5.2
102.05608	28.6
108.02162	1.2
110.04915	1.0
112.01153	1.0
113.02460	1.0
116.92861	1.3
117.35719	1.0
119.03444	1.2
121.02945	6.9
122.03742	4.7
123.04516	4.3
126.05606	1.1
128.03540	78.7
129.03877	1.3
130.08707	0.9
131.19556	1.1
134.03717	5.4
135.04623	4.9
136.05313	3.3
146.03595	1.8
146.04613	18.3
147.04482	1.0
149.02452	11.3
149.04442	1.6
149.06097	6.5
150.03227	33.6
151.03990	5.4
161.02469	1.3
161.04573	1.0
162.03177	1.8
163.04037	1.7
164.04781	2.7
165.05569	21.5
166.05931	1.5
176.89302	1.1
177.05562	2.1
180.04234	1.3
181.05084	3.6
193.04948	1.4
194.09949	0.9
195.06630	12.8
201.91594	1.0
220.09721	1.5
251.07248	1.1
264.08826	2.4
280.11740	1.3
283.09644	1.5
284.15097	1.5
311.09143	5.1
323.10071	7.6
338.12473	5.2
343.11859	18.5
390.59146	1.0
391.14001	22.1
396.14380	1.5
428.17084	1.2
439.07980	1.9
442.65057	1.1
457.20523	1.2
498.90860	1.0
502.17175	10.9
520.18152	100.0
521.18542	5.2
533.31165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88749	0.9
52.22416	0.8
59.01382	8.4
61.98825	7.9
67.20977	1.0
69.93837	1.0
69.94171	2.3
71.01362	5.1
73.02924	2.3
74.02473	1.8
74.87671	1.0
75.00858	1.2
76.74760	0.9
82.95390	2.4
84.04544	9.1
84.95110	1.2
85.02942	2.4
89.02439	3.8
93.03482	1.2
96.96001	3.0
98.21992	1.5
101.02442	5.2
102.05608	28.6
108.02162	1.2
110.04915	1.0
112.01153	1.0
113.02460	1.0
116.92861	1.3
117.35719	1.0
119.03444	1.2
121.02945	6.9
122.03742	4.7
123.04516	4.3
126.05606	1.1
128.03540	78.7
129.03877	1.3
130.08707	0.9
131.19556	1.1
134.03717	5.4
135.04623	4.9
136.05313	3.3
146.03595	1.8
146.04613	18.3
147.04482	1.0
149.02452	11.3
149.04442	1.6
149.06097	6.5
150.03227	33.6
151.03990	5.4
161.02469	1.3
161.04573	1.0
162.03177	1.8
163.04037	1.7
164.04781	2.7
165.05569	21.5
166.05931	1.5
176.89302	1.1
177.05562	2.1
180.04234	1.3
181.05084	3.6
193.04948	1.4
194.09949	0.9
195.06630	12.8
201.91594	1.0
220.09721	1.5
251.07248	1.1
264.08826	2.4
280.11740	1.3
283.09644	1.5
284.15097	1.5
311.09143	5.1
323.10071	7.6
338.12473	5.2
343.11859	18.5
390.59146	1.0
391.14001	22.1
396.14380	1.5
428.17084	1.2
439.07980	1.9
442.65057	1.1
457.20523	1.2
498.90860	1.0
502.17175	10.9
520.18152	100.0
521.18542	5.2
533.31165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53116	0.8
56.60283	0.8
57.03448	1.0
59.01377	52.3
61.98828	100.0
66.82159	0.8
69.36613	3.6
71.01378	6.1
73.02934	4.1
83.01383	1.3
84.72694	0.8
85.02943	3.2
87.52720	0.8
88.61269	0.7
89.02460	1.0
99.00904	0.8
101.02456	7.1
107.02145	0.8
113.02432	2.8
140.93326	1.0
144.45796	0.9
161.04536	2.2
164.31549	0.8
173.04549	0.9
209.08168	1.1
353.19708	3.6
371.20651	6.7
413.21857	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.0
71.42522	0.5
78.95903	67.9
96.96970	6.2
150.98026	1.7
152.99586	100.0
153.99940	0.7
171.00655	2.5
211.13387	0.9
279.23370	2.7
309.20587	0.6
433.23587	45.7
434.24033	2.8
449.03403	0.5
454.73395	0.5
520.26709	6.8
520.33655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66999	1.8
59.01380	8.4
61.46452	2.1
61.98540	3.5
61.98832	45.1
66.56918	2.1
69.92561	6.1
73.79567	2.1
78.95900	51.3
87.08772	2.5
96.96948	4.1
98.21804	2.2
152.99594	100.0
171.00661	3.6
211.13448	2.9
230.44327	2.0
297.24329	3.0
309.20532	2.6
339.25229	5.3
433.23569	40.5
460.45081	1.8
502.32474	2.4
520.26929	8.4
520.33850	4.6
529.06934	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41305	0.6
54.83142	0.6
57.03434	1.1
59.01375	5.6
61.40147	0.7
61.98836	7.9
69.54765	2.3
69.55106	1.1
75.00861	1.2
85.02948	5.1
86.03291	0.7
87.00874	1.7
89.02432	1.3
96.96028	0.9
98.21915	1.4
101.02431	0.8
113.02479	0.8
115.00375	0.7
116.92862	0.7
121.40077	0.5
129.01958	1.0
147.02985	0.9
163.00339	1.1
191.01979	1.6
191.05670	1.0
198.45941	0.6
227.03471	1.9
228.04401	0.7
239.03549	0.7
249.86609	0.7
255.02985	8.3
256.03769	2.4
269.04547	1.5
283.02502	9.5
284.03256	72.3
285.03619	2.3
292.03421	0.8
297.03958	1.3
298.04791	5.2
299.05597	100.0
300.03033	0.6
300.05856	3.8
311.01828	2.0
312.02747	1.0
326.04410	4.1
327.05121	6.7
341.06598	1.6
351.36694	0.7
351.94379	0.8
396.65027	0.6
459.15106	0.8
489.10336	12.8
521.12720	13.2
521.33276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1609
Annotation	Daljanelin A
Peak:m/z	Relative Intensity
55.80753	0.6
62.96403	0.8
71.01376	1.1
71.39278	0.9
78.95900	70.5
83.43143	0.5
84.93867	0.9
96.96015	3.7
97.02991	0.9
99.92577	15.7
100.92690	0.6
100.93367	12.7
110.98534	13.2
115.92068	17.0
116.23276	0.6
116.92150	1.0
116.92851	21.0
130.94380	0.7
134.98637	0.7
146.89404	0.7
148.90973	0.8
150.97978	1.1
152.99596	0.8
155.95192	2.8
163.89691	4.3
164.90492	19.4
164.99574	2.7
167.01167	2.0
177.91209	1.2
178.88429	15.2
178.92047	1.8
179.89211	35.4
180.88597	1.0
180.90028	16.6
181.90884	5.5
191.91243	0.7
193.90775	45.8
194.91570	24.0
195.92386	3.6
196.89478	38.8
197.89545	0.7
206.91510	1.3
210.91185	1.0
218.91589	0.9
219.92358	0.8
220.93053	1.1
235.91838	1.0
236.92592	4.7
248.92531	6.1
249.93423	7.3
250.94177	17.7
251.94398	0.8
252.92073	0.9
255.23236	2.4
265.92865	1.0
266.93689	6.2
267.94086	0.9
270.12531	0.7
347.96866	1.6
351.42871	0.8
353.14246	1.7
409.16867	3.7
423.25162	0.8
473.13962	1.5
503.15085	9.4
521.16113	100.0
522.16431	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50896	1.0
56.31168	1.1
59.01368	4.0
61.98839	7.2
69.03461	1.4
69.42769	5.1
78.95908	1.9
84.93872	3.8
93.03489	1.5
96.96008	4.6
98.95584	3.2
99.92584	72.8
100.92716	1.2
100.93365	20.4
109.02947	4.0
109.06622	1.6
115.91297	2.3
115.92072	28.6
116.92860	100.0
117.92853	1.3
123.08075	1.1
130.47224	1.0
147.39581	1.1
152.99570	2.6
171.10242	5.8
229.01636	1.6
255.03374	2.5
287.02206	1.9
287.20111	4.5
293.21234	2.9
299.20132	4.9
317.21313	1.7
331.06433	3.4
345.04288	2.6
349.07507	1.5
403.34201	1.1
455.15469	2.0
459.21103	2.3
461.21173	2.4
467.15430	3.9
471.14798	1.6
473.16360	2.4
485.16275	11.2
499.14413	12.7
503.17365	21.3
503.24457	1.4
504.17719	1.3
517.15332	12.5
521.18500	46.8
521.25299	4.5
522.19366	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13375	1.1
53.39181	1.0
57.03436	1.2
59.01378	60.2
61.98830	18.0
69.03390	1.0
71.01385	29.9
71.07036	1.3
73.02939	2.5
78.20164	1.0
83.01375	1.4
85.02957	7.8
87.00871	2.1
89.02444	36.2
95.01346	2.5
96.96012	2.1
101.02442	19.0
113.02446	13.2
119.03519	16.7
119.05002	15.4
125.02417	1.2
127.89601	1.0
131.03484	1.9
137.06100	3.6
143.03473	2.8
152.91722	3.2
161.04541	4.7
161.84076	1.3
179.05650	7.5
190.38750	1.2
191.02005	1.8
194.92862	1.2
197.04608	1.2
212.18127	1.1
221.06512	1.6
258.47977	1.3
286.07190	1.2
299.11343	100.0
300.11594	3.2
323.09772	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16462	0.4
54.10669	0.4
55.01909	0.4
59.01375	11.1
61.98832	0.7
64.56693	0.4
71.01378	6.4
71.42880	0.6
73.02936	2.6
73.60357	0.4
79.14394	0.4
83.01374	0.5
85.02945	2.2
87.00877	0.7
87.96127	0.4
88.98816	1.0
89.02448	4.3
93.03435	0.9
95.01386	0.5
96.79524	0.4
96.96004	5.1
97.02952	0.5
99.00875	1.3
101.02451	3.9
103.00349	1.0
108.02185	0.6
109.02925	1.1
113.02445	2.0
119.03549	0.6
121.02934	3.0
122.03770	2.2
123.00916	0.7
123.04508	1.1
125.02428	0.7
131.03539	0.6
131.04588	0.4
135.04602	0.6
136.05293	1.6
137.02493	0.5
137.06047	0.7
146.03690	0.5
147.04514	1.8
149.02422	0.9
149.04570	2.6
149.05603	0.4
149.06050	0.3
150.03232	2.4
158.03716	2.0
159.03139	0.7
159.04515	7.9
160.05293	25.1
161.02472	0.6
161.04550	2.3
161.06056	7.2
163.03989	2.1
164.04742	3.1
173.06007	2.9
174.06853	1.6
175.07637	26.3
176.07893	0.5
177.05585	4.5
178.06340	13.4
191.05638	0.7
191.07184	0.6
192.07927	5.4
193.08595	2.4
245.02907	0.4
315.12247	0.6
329.13928	100.0
330.14273	4.0
344.12717	0.9
349.06186	2.4
359.14957	7.5
360.15289	0.8
373.05725	0.7
391.07205	3.6
433.08023	2.2
435.06018	2.1
477.07037	1.5
521.05988	1.0
521.19788	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.29240	0.5
55.01867	1.0
57.03445	3.4
58.00598	1.4
59.01377	100.0
64.93256	0.5
69.42194	2.1
71.01379	48.6
72.01720	0.5
72.99311	1.1
73.02956	1.5
82.96838	0.5
83.01395	1.9
85.02950	8.9
87.00870	2.7
89.02442	72.2
90.02767	0.6
95.01374	3.0
96.96011	7.4
98.21770	0.5
99.04520	1.7
101.02438	31.8
103.00375	1.3
108.02196	0.7
109.02944	1.6
113.02448	20.8
115.97904	0.5
119.03498	31.8
121.02952	1.4
122.03724	1.0
123.04504	1.4
125.02428	0.9
131.03513	4.0
143.03510	6.1
149.04538	3.1
149.05957	0.5
159.04474	2.3
160.05305	4.7
161.04520	6.0
161.05984	1.7
172.05312	2.9
173.06058	2.4
174.06874	0.5
175.07634	3.0
179.04080	1.0
179.05609	18.5
187.07619	1.5
189.04149	0.5
189.05576	4.6
190.06332	4.7
190.07936	0.8
204.07841	0.7
205.08687	4.6
243.12114	0.6
281.08069	1.4
295.09543	0.7
296.10547	4.6
301.17047	0.6
311.09589	0.6
311.12823	4.7
329.13803	3.2
341.13904	22.4
342.14145	1.0
349.05981	4.1
356.94882	0.6
359.14761	1.0
373.05884	0.6
391.06961	4.1
433.08139	3.3
435.05899	2.5
477.06799	1.6
521.05554	1.4
521.20245	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
50.77552	0.4
53.64252	0.3
58.90041	0.5
59.01371	3.2
59.46277	0.4
61.68049	0.4
64.72964	0.4
68.58775	0.3
69.00954	0.5
69.12782	2.2
69.59992	0.4
71.01371	3.1
73.02939	1.5
76.05914	0.4
78.85032	0.4
83.01385	0.5
85.02950	1.4
87.00862	0.5
88.98832	0.5
89.02420	1.1
96.96018	1.5
99.00865	0.4
101.02450	1.4
108.02181	0.5
109.60602	0.4
113.02420	1.1
119.05051	0.4
119.43166	0.4
121.02973	4.3
122.03716	1.6
124.01657	0.7
130.97929	0.4
135.04518	0.8
136.05263	1.1
137.06059	0.7
137.07605	0.4
143.05035	0.7
143.54710	0.4
147.04523	2.1
149.02446	0.8
150.03189	1.9
158.03706	2.2
159.04529	8.4
160.05302	26.5
161.04565	1.1
161.06053	7.7
163.04008	1.9
164.04802	2.1
173.06084	3.2
174.06837	1.6
175.07637	24.9
176.04752	1.0
177.05566	4.8
178.06340	13.8
179.07132	0.5
191.05569	0.4
192.07932	7.9
193.08661	3.4
269.08197	1.0
299.09116	0.9
311.09320	0.6
314.11554	2.2
326.11609	1.0
329.13916	100.0
330.14185	4.5
341.13763	1.8
349.05945	1.1
359.15015	4.7
391.06796	0.5
435.05829	0.5
521.20917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2039
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01872	1.4
56.47565	0.8
57.03429	1.5
59.01377	37.9
60.01707	1.2
61.01792	0.9
69.47777	2.4
71.01376	17.2
73.02940	6.2
83.01389	3.1
85.02946	8.8
86.00115	0.9
87.00867	3.9
89.02438	6.7
90.22884	0.9
93.03466	1.1
95.01378	1.8
96.96026	1.3
97.02954	0.8
98.21930	1.1
99.00863	1.9
101.02441	12.3
108.02175	1.1
109.02948	2.4
111.00859	0.9
113.02451	5.7
119.03487	2.2
121.02992	4.7
135.04459	0.8
137.02412	1.3
143.03474	0.7
145.02921	1.7
147.04507	1.1
153.01981	2.0
159.04500	1.9
161.04536	1.4
178.85332	0.7
193.08614	1.0
196.59210	0.8
255.06679	1.6
263.07050	1.1
265.08743	1.3
267.06564	2.2
268.07272	3.4
269.07990	3.7
270.09076	1.3
271.09531	1.0
271.77844	0.8
280.07407	1.7
281.08218	9.3
282.08890	5.7
283.09711	7.1
293.08246	3.9
294.08972	1.1
295.09854	3.6
296.10547	2.0
297.11465	0.8
299.09341	4.4
300.10007	1.4
305.02499	0.7
309.11139	1.0
311.09290	4.3
314.11484	7.0
315.12323	3.2
325.10767	0.9
326.11618	10.9
327.12338	5.6
329.13873	8.6
341.13953	10.2
343.11792	3.3
355.11798	3.9
369.13654	1.3
385.14999	2.0
415.23267	2.0
416.23727	1.5
417.23944	2.8
445.14322	0.9
456.53439	0.9
461.14276	1.3
473.14551	6.0
476.16873	7.7
488.16806	7.2
491.19214	100.0
492.19623	4.1
496.92831	0.8
503.19189	96.5
504.19760	4.4
521.26624	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30400	1.3
55.42802	1.3
59.01380	100.0
61.98825	3.4
64.26101	1.3
69.50800	5.9
71.01390	6.7
73.02943	6.1
85.02948	5.4
87.00861	1.5
89.02438	4.3
92.25547	1.4
93.03461	1.9
101.02419	3.6
113.02426	5.9
123.17587	1.4
124.49002	1.4
133.02974	1.8
134.03763	2.6
135.04506	1.8
173.04495	4.5
191.05595	1.7
245.33359	1.7
337.56140	1.6
345.17044	2.3
381.22772	3.4
399.23621	2.6
449.57495	1.4
521.20490	1.9
521.33362	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08610	4.6
54.56688	5.5
59.01380	100.0
61.98833	9.6
71.01381	23.0
71.41800	5.9
73.02949	39.7
75.31859	5.2
80.52797	4.6
83.01408	12.9
88.09921	5.7
89.02419	9.5
94.88073	5.5
96.11976	5.4
101.02427	28.3
113.02439	10.2
143.03459	7.1
149.04567	8.2
161.04636	9.1
163.32512	5.2
251.38127	5.2
254.51836	5.4
437.87051	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74107	1.5
57.03429	2.5
57.63466	1.3
59.01378	100.0
60.29734	1.3
61.98822	2.7
69.03468	2.0
69.88577	1.6
71.01382	51.9
71.43958	2.0
72.99315	1.7
73.02950	14.3
81.61829	1.3
83.01363	4.6
83.05011	3.3
85.02950	13.8
86.00079	1.5
87.00865	6.6
87.01315	1.4
88.98817	1.7
89.02445	65.0
96.95995	5.4
98.22582	1.5
99.00827	1.3
101.02448	30.6
103.00372	1.4
108.68801	1.3
111.00872	1.5
113.02448	16.1
116.92857	2.0
119.03516	9.7
125.02447	4.1
131.03503	16.6
135.04576	2.0
141.01863	1.8
141.54294	1.4
143.10794	1.8
149.04561	45.5
149.09735	7.0
161.04475	3.8
179.05585	1.9
191.05618	9.4
223.13417	4.1
226.49109	1.5
241.14406	5.0
253.09518	1.7
255.16058	2.6
273.20648	2.6
301.35492	1.4
311.09579	2.0
329.16043	2.1
359.15106	1.8
391.07077	2.7
417.25235	10.6
433.08038	2.6
441.29031	1.5
461.20255	23.9
477.23297	15.6
521.21808	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17837	0.4
55.32598	0.4
59.01377	100.0
59.12482	0.4
59.85273	0.4
60.01724	0.4
61.98808	0.4
69.61719	0.9
69.62083	0.9
90.99876	0.5
161.90286	0.4
207.47829	0.4
521.24933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33629	4.3
63.36959	3.9
68.19028	4.3
69.57342	19.2
70.01413	4.8
72.26170	4.9
77.67325	3.7
78.95861	6.2
116.97213	5.1
123.89654	4.8
140.71817	5.4
195.13954	4.9
196.57805	5.1
209.49782	5.9
211.13391	15.7
311.22342	5.4
326.25983	4.5
354.47397	4.9
387.62088	4.7
521.34869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06349	8.6
59.01378	12.3
61.98822	33.4
70.74073	9.3
70.74406	9.8
74.59180	8.3
102.30559	8.1
120.56667	8.8
126.82914	8.6
151.90854	7.4
182.66777	8.3
204.99734	9.4
211.13419	72.2
249.18552	18.2
251.89716	9.8
305.24786	13.0
335.05548	12.6
363.05072	54.7
401.59427	9.2
405.26688	14.7
487.58679	9.9
521.03857	18.9
521.34912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03439	2.4
59.01381	97.7
59.83068	1.1
61.66996	1.1
61.98829	6.0
68.07742	1.1
69.71820	4.3
71.01384	55.3
72.99315	2.1
73.02943	23.2
75.00879	5.7
79.02142	1.4
81.03461	1.9
83.01379	9.7
85.02946	26.2
87.00876	4.9
88.98808	3.1
89.02444	14.2
93.03437	2.2
95.01390	2.5
97.02951	2.6
98.22649	2.2
99.00903	6.1
99.10724	1.1
101.02442	40.8
103.04024	4.6
109.02940	4.7
111.00837	1.4
113.02461	18.2
115.03953	1.2
119.03515	4.7
125.02431	4.0
129.01923	1.4
131.03435	2.2
132.30110	1.2
134.03763	1.4
135.04535	3.7
143.03494	3.5
159.02986	3.4
161.04572	23.5
162.13370	1.4
163.06226	7.4
163.07317	1.6
165.05568	1.9
178.81587	1.2
183.02945	1.4
191.05688	1.4
192.03955	1.2
205.07239	1.5
218.50519	1.4
282.08984	1.7
299.19934	1.3
315.18127	33.6
316.18231	1.4
345.16986	2.1
383.33914	1.3
461.23935	100.0
461.31021	4.7
462.24115	3.1
479.32166	2.9
521.21283	11.0
521.33575	7.6
522.20062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.87361	0.5
61.98833	100.0
70.15999	0.5
70.34478	0.9
86.97540	0.4
98.22016	0.6
103.46665	0.5
125.87299	0.6
127.87064	0.5
162.83989	0.8
190.26241	0.4
208.26363	0.5
361.72864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1764
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
56.86481	0.5
70.98197	0.8
71.01393	1.0
78.95898	41.9
99.92580	9.0
100.93362	6.3
101.86166	0.6
110.98530	8.6
115.92079	11.7
116.92855	9.4
116.93585	0.3
124.71828	0.5
130.94391	0.7
148.90955	0.7
150.98042	1.0
155.95175	1.0
163.89738	2.6
164.90501	10.0
164.99571	1.2
165.90495	0.5
167.01132	1.3
178.88434	7.7
178.91980	0.7
179.89200	19.2
180.90018	7.6
181.90791	2.5
193.90770	29.1
194.91563	16.1
195.92351	0.8
196.89473	21.5
206.91406	0.6
210.91045	1.0
218.91618	0.7
219.92357	0.7
236.92542	0.9
248.92519	2.9
249.93495	2.5
250.94080	0.8
254.75807	0.6
255.23224	2.6
265.92819	0.8
266.93616	1.9
281.24814	0.8
295.26535	1.2
355.15863	1.1
411.18365	4.4
449.27057	0.6
475.15506	1.7
505.16641	2.1
506.70505	0.6
523.17664	100.0
524.17773	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01544	0.7
60.60941	0.8
69.15625	4.3
71.01365	1.0
78.95902	47.6
85.76294	0.7
86.73230	0.8
98.22595	1.9
99.92591	12.3
100.93371	6.7
110.98539	11.2
115.91311	1.0
115.92085	12.7
116.92085	1.0
116.92863	10.1
128.19313	0.8
148.90900	0.9
150.98097	1.7
155.95258	1.5
163.89761	4.4
164.90512	13.0
164.99559	1.8
167.01196	1.2
178.88428	11.4
178.92143	0.9
179.89232	20.6
180.90016	9.8
181.90784	4.0
192.23273	1.1
193.90778	30.1
194.91566	17.5
195.92268	1.3
196.89488	26.3
199.03366	0.8
210.91028	1.8
217.98521	0.8
218.91524	0.8
219.92195	1.3
236.92696	1.9
248.92558	3.1
249.93408	2.8
250.94182	1.3
255.23303	3.7
266.93634	3.0
281.24725	1.7
295.26337	0.9
355.15930	1.5
402.67136	0.8
411.18707	4.5
425.63687	0.9
449.26886	1.0
475.15707	2.2
505.17145	1.4
523.17694	100.0
524.18182	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35899	0.4
55.66746	0.4
57.03440	1.3
59.01377	31.3
61.98820	1.8
63.96222	0.9
69.03444	0.7
69.72443	0.5
71.01013	0.9
71.01381	11.6
72.99298	1.1
73.02945	6.9
74.17092	0.5
75.00849	1.1
78.95863	0.4
78.98595	5.0
79.95731	9.3
80.96515	60.9
81.03436	0.7
83.01369	1.6
85.02930	3.2
87.00866	3.8
89.02485	2.8
89.02937	0.6
93.03436	0.5
94.98082	13.2
96.96001	1.1
97.02931	1.8
99.00869	0.5
101.02435	7.1
106.98082	3.4
109.02925	0.6
110.28736	0.5
111.00913	0.5
113.02451	3.6
115.00372	1.4
115.03999	0.8
119.03488	1.0
122.97578	3.0
125.02435	2.9
127.03996	0.9
134.03693	0.6
134.97581	4.0
135.04517	1.1
136.97192	0.6
136.99115	1.7
143.03481	1.0
148.99107	6.0
152.98624	4.2
157.01768	0.4
161.04543	0.8
164.98616	11.4
167.10619	0.5
191.05643	0.5
205.12300	0.7
206.99661	1.8
223.13391	1.5
225.00734	14.2
229.24538	0.5
239.16438	0.6
249.06053	0.9
273.15179	0.8
299.04446	3.3
310.09326	1.1
311.09363	0.9
365.06384	0.6
523.18433	100.0
524.18750	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.01764	0.7
57.03446	1.9
59.01377	34.7
61.98828	1.5
62.50552	0.7
67.43012	0.7
71.01372	3.9
71.26591	1.2
73.02930	3.6
75.00867	3.6
81.03461	1.1
83.01386	3.4
83.05042	1.5
85.02961	3.6
87.00874	2.7
89.02460	1.2
89.56583	0.9
93.03457	1.7
99.04498	1.2
101.02441	3.0
106.04260	4.6
107.05023	2.2
109.02911	1.1
109.06569	1.1
113.02425	2.7
115.00385	1.2
119.05030	5.1
119.08679	1.1
121.06579	0.9
123.08157	0.8
123.53023	0.7
129.01920	0.8
133.10173	1.0
133.99153	0.7
135.04523	1.5
135.08136	2.4
135.11786	1.2
137.06084	100.0
137.09692	6.0
138.06378	1.5
141.05565	0.9
146.03748	1.3
147.04543	0.8
148.05254	0.7
148.62517	0.9
149.06180	0.9
153.09290	0.9
161.02464	0.9
161.04559	1.3
161.09689	4.6
163.07637	5.6
164.04758	0.8
173.61465	0.7
179.07141	3.3
179.10867	4.1
181.08730	7.2
185.99593	0.9
191.01929	0.9
191.05516	1.4
195.10274	0.9
197.11830	2.5
221.11778	0.9
223.09793	7.1
240.04254	2.4
241.10806	3.4
255.06369	0.9
265.10815	1.6
283.05994	1.8
289.10693	1.1
298.08224	1.3
313.10760	6.4
325.12903	1.9
343.11618	1.0
385.14819	2.3
398.06302	1.0
505.20578	2.0
523.21790	87.4
523.34784	4.0
524.21936	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.68188	0.2
55.01884	1.7
56.97690	0.2
57.03454	1.4
58.00599	0.4
59.01377	26.4
60.01709	0.2
61.98844	0.3
67.47994	0.2
69.03477	0.3
69.28707	1.2
71.01380	15.5
72.99319	1.0
73.02942	4.0
75.00877	0.5
81.03486	0.3
82.95423	1.0
83.01377	2.6
84.02193	0.3
85.02945	8.4
86.00114	0.4
87.00883	1.6
88.62527	0.3
88.98839	0.8
89.02443	6.6
93.03483	1.0
95.01368	1.8
96.96028	0.3
97.02969	0.3
98.21878	0.6
99.00848	1.5
101.02443	11.2
108.02209	0.6
109.02952	3.6
111.00888	0.7
113.02450	4.7
117.03505	0.4
119.03497	2.5
119.05019	0.6
121.02953	9.8
122.03742	13.7
123.04520	2.0
124.01675	0.4
125.02508	0.3
129.03491	0.7
134.03737	1.0
135.04497	1.7
136.05295	1.6
137.02473	1.2
137.06029	0.3
143.03545	0.3
145.02960	0.7
145.06625	0.3
146.03741	0.4
147.03346	0.4
147.04512	6.4
148.05319	0.7
149.04451	0.3
149.06090	0.9
154.02699	0.5
159.03050	0.6
160.05414	0.5
161.04613	0.7
161.06105	2.4
162.06903	1.0
163.04042	0.7
164.04819	0.8
165.05568	21.1
173.06088	0.8
174.06804	0.6
175.03940	0.2
175.07635	0.9
175.32092	0.2
176.08429	0.3
177.05481	0.3
178.06378	0.9
179.05659	0.4
179.07117	6.6
187.07692	0.3
191.07188	1.6
192.07881	0.5
192.73730	0.3
193.08650	0.4
205.05002	0.4
205.08702	0.4
208.07373	0.3
209.08157	0.6
223.09752	0.6
227.03516	0.6
255.03020	0.8
284.03207	1.3
285.11011	0.3
297.11417	0.5
298.12024	1.4
299.12830	0.5
301.10721	0.4
313.14459	1.9
315.12442	1.6
316.13113	0.6
316.67386	0.3
328.13181	1.9
329.14001	0.7
331.11710	0.3
331.15591	0.4
343.11655	0.4
343.15442	3.9
345.13278	0.3
346.14197	7.4
347.14932	2.1
361.16547	73.6
362.16876	2.4
393.07220	0.3
450.11768	2.4
450.61652	0.9
463.15387	0.3
508.19440	0.8
523.21814	100.0
524.22137	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01380	5.6
69.75064	0.9
71.01373	3.7
73.02938	0.8
85.02972	1.0
88.98801	0.8
89.02430	2.4
93.03461	2.2
98.21930	1.0
99.00880	0.8
101.02452	1.5
109.02940	4.1
113.02441	0.7
119.03541	0.6
121.02959	11.7
122.03734	13.6
122.71804	0.4
123.04541	1.4
125.02451	0.6
131.03503	0.6
134.03716	0.9
135.04533	1.8
136.05283	1.2
137.02419	5.0
145.02974	0.6
146.03777	0.7
147.04543	5.0
148.14917	0.6
149.04541	1.8
149.06117	1.1
154.02759	0.7
157.52829	0.4
160.05237	0.8
161.04593	0.8
161.06042	2.5
164.04802	0.5
165.05565	19.9
173.06056	0.5
178.06345	1.4
179.07120	7.3
188.75308	0.4
191.07048	0.5
209.08215	0.8
209.11734	0.5
223.09724	0.7
298.12183	0.6
313.14413	1.0
315.12454	1.6
330.14328	0.6
331.14862	1.5
346.14148	9.6
361.16544	100.0
362.16925	4.2
463.21960	1.3
523.26898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07949	0.8
51.67247	0.8
54.84233	1.0
55.01881	3.4
57.03432	4.4
59.01379	80.0
69.03456	1.7
69.16503	3.8
70.91248	0.7
71.01381	82.9
72.01715	0.9
72.64625	0.9
72.99315	0.9
73.02943	18.3
75.00881	1.8
83.01389	7.4
85.02947	29.6
87.00877	3.5
88.98798	1.1
89.02445	44.1
93.03453	1.9
95.01394	4.1
97.02948	4.0
99.00871	6.3
101.02443	45.8
113.02451	31.2
119.03483	13.4
121.02955	1.5
122.03738	1.8
125.02451	4.0
129.01984	1.1
131.03502	5.7
137.02435	3.0
143.03497	5.3
147.04581	0.9
149.04550	8.8
159.02988	5.2
161.04555	37.5
165.05580	2.5
179.05602	7.1
179.07036	1.6
191.05585	2.2
209.11781	1.0
293.08951	1.8
329.13885	0.9
330.14401	1.0
331.17624	73.6
332.17868	2.8
361.16458	9.7
362.16727	1.1
443.15555	1.6
463.21848	100.0
464.22263	3.9
523.25659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
57.03452	4.5
57.49953	1.6
59.01379	70.2
60.99295	2.2
69.54114	6.7
71.01380	72.6
72.24963	1.4
73.02945	24.1
75.00867	2.8
83.01376	8.0
85.02943	27.2
87.00877	3.6
88.98798	11.3
89.02444	38.6
93.03474	1.8
95.01360	5.1
96.95999	1.8
97.02943	3.4
99.00880	6.4
101.02444	42.3
109.02967	2.1
111.00840	2.6
113.02447	27.6
119.03477	8.1
125.02464	4.2
131.03500	5.9
133.02956	22.3
134.03746	3.9
135.04529	21.1
137.02428	2.5
143.03513	5.1
145.02989	2.0
149.04527	7.1
150.92619	1.5
159.02985	4.0
161.02451	64.7
161.04509	29.7
161.05859	2.9
162.02834	1.7
163.04005	8.2
179.03496	14.3
179.05557	3.4
181.04987	1.6
191.05527	3.0
195.06621	2.0
253.14355	1.6
293.08755	2.3
329.14059	2.3
330.14355	1.6
331.13910	3.5
331.17645	70.3
332.17703	3.0
376.15253	2.8
391.17661	14.7
463.21823	100.0
464.22076	5.0
523.14569	56.0
523.23401	5.9
524.14966	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38063	0.5
61.98831	100.0
85.85356	0.5
119.59270	0.7
135.04633	0.5
249.04356	0.5
375.91983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
61.98834	5.7
69.85186	1.3
69.85552	1.3
71.01410	1.3
73.02969	0.8
76.89689	0.5
85.02995	1.4
87.58546	0.5
94.02950	0.6
94.06627	3.4
96.96037	1.3
98.22669	0.8
101.02502	1.2
102.03542	0.8
104.05128	0.7
106.06641	0.7
107.03780	4.3
108.04633	1.0
113.02521	0.7
121.05341	1.1
122.06129	27.1
124.07743	2.0
127.52689	0.6
131.03836	1.6
132.04553	6.7
134.06143	4.4
135.06972	1.9
145.05417	0.8
146.06139	0.8
150.05692	1.8
152.07176	51.4
153.07634	0.8
158.02525	2.2
159.03236	0.8
160.04045	4.0
161.04837	0.7
162.05658	1.4
172.04041	1.2
174.05661	1.3
176.03601	2.7
176.07170	0.7
180.06740	1.9
188.07202	0.7
190.05066	5.8
196.11458	0.8
199.08754	0.6
211.12505	0.8
215.11967	2.1
223.08777	4.3
224.07629	0.8
224.09464	3.5
229.87216	0.6
236.09529	0.8
237.10365	1.3
238.11153	1.3
239.11890	13.8
240.10358	2.5
240.12476	0.7
241.09871	1.7
250.07552	0.6
251.08264	1.2
251.12016	2.5
253.06154	3.3
253.09927	1.0
255.07758	1.4
255.11436	1.0
263.11996	0.6
265.09784	3.8
266.07053	0.6
266.10611	0.8
267.07910	1.6
267.11496	1.7
268.08591	3.8
279.07852	1.1
279.11340	1.4
280.08643	2.6
280.11981	1.2
281.09293	1.1
283.10901	38.0
284.11325	1.5
293.09384	1.8
295.10873	9.3
296.12082	0.8
307.10999	2.5
308.11716	3.3
311.10516	0.7
312.11237	1.6
323.10321	1.5
324.10858	1.5
340.10684	1.5
341.11551	1.4
355.12970	1.3
404.19760	0.9
418.17734	0.8
420.19492	2.3
430.17679	2.2
448.18793	40.7
449.19025	2.6
463.10553	0.7
464.18256	0.9
474.16412	1.6
477.92032	0.7
480.21109	1.9
492.17758	100.0
493.18088	7.6
524.20453	20.5
524.35437	1.0
525.20660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61502	0.7
52.97189	0.7
57.03415	0.8
59.01387	6.3
59.54640	0.7
61.98819	5.6
69.36254	3.0
69.36675	1.7
71.01373	4.4
73.02940	1.3
75.00877	1.0
85.02936	2.6
88.98777	1.4
89.02420	1.8
94.06604	5.3
96.95996	0.8
101.02413	2.6
101.58508	0.8
107.03769	7.8
120.04482	1.4
121.02928	1.0
121.05301	2.4
122.06119	48.8
124.07665	2.5
131.28246	0.9
132.04539	14.2
134.06122	4.9
135.06870	3.3
144.04515	2.0
144.20404	0.9
145.42126	1.0
146.06096	0.9
148.04126	1.0
150.05600	2.3
152.07170	89.4
153.07489	2.5
158.02426	5.2
160.04039	5.1
160.05142	0.8
162.05644	2.2
167.03462	1.1
174.05560	1.6
176.03549	5.0
176.07079	1.0
190.05101	17.6
191.05708	1.1
192.06642	1.0
209.11891	1.0
211.12308	1.8
215.11900	2.0
223.08679	3.0
224.09543	4.8
226.07503	1.5
227.08214	1.0
237.10262	2.4
238.08850	0.9
238.11020	1.9
239.11876	19.4
240.10358	3.9
240.12392	1.1
241.09772	1.7
251.08200	1.6
251.11809	3.7
253.06169	4.2
253.09743	1.1
255.07672	1.4
255.11188	2.4
265.09818	3.2
267.07834	1.7
267.11319	2.5
268.08658	4.6
268.11282	0.9
279.07755	1.5
280.08414	3.1
281.09195	1.4
282.09891	0.8
283.10876	53.6
284.11234	3.0
295.10873	15.7
296.11630	1.3
297.12347	2.0
309.12347	1.6
312.11063	3.5
313.14984	0.9
315.13422	1.4
323.10223	1.5
324.11038	1.8
327.13531	1.5
331.17825	1.2
332.18076	1.2
341.11285	5.5
355.12872	4.4
362.16754	4.5
420.19351	2.7
448.18756	41.7
449.18991	3.2
464.22614	4.4
474.16476	1.2
480.21243	9.3
492.17761	100.0
493.18176	5.5
493.54089	0.9
524.20441	71.1
525.20770	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22541	7.0
59.01364	19.9
61.98833	100.0
67.15693	5.4
75.30686	5.3
76.91696	7.0
97.71301	6.2
143.62254	5.7
166.00864	6.8
220.06244	14.4
243.20911	7.1
280.08182	12.7
281.15341	6.4
289.18185	8.4
306.20724	7.0
413.80075	7.0
524.28607	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
59.01378	30.9
61.98808	1.0
68.99803	1.0
69.03461	1.0
69.22948	3.4
71.01388	9.2
73.02963	1.0
76.49493	0.7
77.13838	0.7
81.03433	1.6
81.38314	0.7
82.10490	0.7
83.01387	1.3
84.02166	1.0
85.02945	3.9
87.00894	1.0
89.02453	3.2
93.03459	3.2
97.02946	6.8
99.33855	0.7
101.02452	2.3
101.67020	0.8
105.03430	1.2
107.05031	3.0
108.02205	1.4
109.02934	2.1
110.47717	0.8
112.01655	1.8
113.02454	5.4
114.05637	0.9
115.05475	2.1
119.03448	1.4
119.05021	1.5
121.02954	100.0
122.03299	1.3
123.04547	5.6
125.02420	2.2
125.06096	1.4
131.05045	6.5
133.02951	3.4
133.06602	25.7
135.04518	6.7
137.02455	10.2
138.03191	1.2
140.41466	0.8
143.05037	1.3
145.02943	3.0
145.06633	1.6
147.04564	1.0
149.02440	1.2
151.03999	20.0
153.05602	1.5
158.03735	1.3
159.04495	5.2
161.04596	2.1
161.06058	29.6
161.07399	1.7
162.06380	0.9
163.04022	17.1
169.05080	4.5
169.06392	0.9
173.06042	1.3
181.05066	28.0
181.06467	1.0
189.05562	71.1
190.05922	2.1
197.06052	1.9
199.06088	5.5
201.05609	3.7
211.07701	1.0
213.05627	1.4
219.06621	3.0
227.07014	1.2
239.07144	2.3
241.05011	2.9
255.06520	0.9
273.07642	8.1
285.07739	4.8
303.08713	4.0
366.07016	1.1
455.11978	1.0
519.50183	1.0
525.25183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01377	3.0
59.54633	0.4
61.98838	4.1
63.96216	1.1
68.17719	0.4
69.03431	0.7
69.58902	0.8
69.59243	1.5
71.01377	7.0
73.02959	2.4
75.00844	0.7
78.04716	0.4
78.98594	6.3
79.95736	7.6
80.96516	54.5
81.03446	0.9
85.02946	4.0
87.00883	3.1
88.56116	0.4
89.02467	0.5
94.98090	13.6
95.01368	0.5
96.96005	1.0
97.02925	2.0
99.00880	1.3
99.04525	0.6
101.02436	3.0
101.87621	0.6
106.72282	0.4
106.98081	3.2
112.32766	0.5
113.02473	0.5
115.08741	0.5
122.97597	3.1
125.02451	3.1
134.97571	4.3
136.99144	1.5
144.02997	0.7
146.06094	0.5
148.99132	5.3
149.02440	1.2
152.98648	4.9
164.98618	11.9
166.06302	0.8
167.00203	0.5
181.12350	0.8
183.44559	0.5
206.99648	1.9
207.10269	1.6
225.00742	19.2
225.11360	2.3
299.04367	3.2
343.11728	0.7
350.00375	0.5
405.91315	0.5
465.23145	0.6
497.16745	1.2
525.16425	100.0
526.16766	3.8
526.24280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21046	0.5
56.53555	0.5
59.01375	4.0
61.98832	5.2
69.11629	1.7
69.12037	1.3
71.01376	1.1
73.02958	0.7
82.02957	0.5
85.02927	0.9
85.51202	0.4
88.98805	0.5
89.02467	1.2
91.37397	0.6
92.37010	0.4
93.03456	0.8
96.96027	0.8
98.22713	1.0
100.12786	0.5
101.02463	1.2
108.02200	1.1
109.03011	0.6
111.04502	1.2
116.08819	0.5
117.59966	0.5
120.06843	0.5
121.02957	6.9
122.03735	10.3
123.04563	0.6
129.25552	0.4
134.03738	17.6
135.04538	7.5
137.06099	1.0
146.03735	15.7
147.04457	1.6
149.02452	1.4
149.06085	28.8
150.03210	6.2
153.75548	0.6
155.36299	0.5
161.06078	9.5
162.03218	1.7
164.04797	10.3
165.05568	35.3
166.06357	12.4
167.07130	100.0
168.07457	1.7
177.05618	1.2
179.07132	58.8
180.07498	0.7
193.08749	1.5
195.06653	1.9
221.08173	9.6
239.09244	3.8
255.10217	0.9
315.12381	21.3
315.16037	1.1
316.12482	1.1
327.12372	6.6
329.12326	1.2
345.09537	0.9
345.13455	11.0
350.92404	0.5
363.14496	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03475	1.0
59.01384	99.1
61.98815	1.8
71.01382	26.8
72.00890	1.2
72.99335	1.3
73.02946	13.4
75.00889	1.9
83.01382	4.5
85.02953	13.8
87.00881	2.9
89.02456	14.4
95.01373	2.3
97.02970	2.3
99.00889	11.3
100.04015	1.2
101.02453	26.3
111.00880	1.1
113.02455	16.4
113.09736	2.6
116.03545	1.5
119.03517	3.5
122.06075	1.1
125.02467	2.0
129.02025	1.3
131.03476	1.2
135.04533	5.8
143.03525	2.1
144.03038	18.9
144.72910	1.0
145.12363	3.7
159.02951	1.6
159.45198	1.0
161.04544	11.0
210.50888	1.1
279.09985	6.6
289.16663	3.1
297.10934	16.1
307.17596	17.0
346.35687	1.2
347.90411	1.3
349.18683	11.6
421.20880	2.9
439.21851	31.2
440.22369	2.1
463.11630	1.4
481.22946	100.0
482.23358	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78175	34.0
57.44806	35.5
61.98809	39.8
63.62873	31.1
69.81467	100.0
69.81808	41.5
76.73582	38.3
90.82849	32.0
130.15871	43.8
297.75558	39.6
525.31158	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.14923	40.1
80.05099	46.9
90.04176	44.3
94.86697	46.2
94.92540	43.3
108.57297	49.5
134.87257	42.9
253.21785	79.4
348.59363	51.8
525.28308	47.1
553.47186	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09794	14.6
69.10127	100.0
78.52016	14.2
84.06451	14.8
114.12988	18.7
127.87013	15.4
155.27835	16.9
163.80739	14.1
541.13135	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02161	1.3
50.03098	1.5
55.01879	2.9
56.70735	1.4
57.03448	4.1
58.00588	1.9
59.01379	100.0
60.71670	1.6
61.98815	3.6
71.01382	67.9
72.99310	4.2
73.02952	15.7
74.42480	1.8
75.00845	2.6
83.01388	9.9
85.02951	20.5
87.00867	3.3
89.02443	57.3
95.01371	4.3
96.05166	1.5
96.96005	2.9
99.00854	5.5
101.02444	57.0
102.31651	1.8
113.02459	28.6
119.03503	26.7
125.02463	3.0
129.68513	1.5
131.03500	3.3
143.03462	3.8
149.04510	2.1
149.77579	1.6
159.02953	3.4
161.04558	13.4
169.13205	1.6
179.05591	3.3
261.13913	1.7
321.07687	2.0
365.06708	2.2
491.28790	2.1
527.11926	29.5
527.24426	5.8
528.12518	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26028	0.4
59.01376	1.6
61.98805	0.6
75.54635	0.4
85.02937	0.6
93.65102	0.4
98.22640	1.0
99.69419	0.4
137.35115	0.3
198.03084	0.3
204.23494	0.3
232.05211	0.4
233.06065	0.6
235.07623	0.3
247.07607	0.3
248.04832	0.8
249.05547	5.2
250.06310	1.4
260.04779	0.5
261.05579	1.4
262.06329	0.5
263.07199	1.2
273.05566	0.4
273.81223	0.3
274.06293	0.4
276.04263	0.5
277.05054	13.3
278.05560	0.8
289.05109	0.9
290.05908	1.0
291.03384	0.7
291.06671	2.7
293.04623	0.6
303.03000	0.4
305.04565	11.1
306.05374	2.6
319.06131	0.9
320.03192	0.6
321.04047	3.1
321.07669	1.1
322.04825	4.9
349.03436	2.2
350.04315	64.0
351.04666	3.4
365.06656	100.0
366.06921	5.6
405.07474	0.4
527.11993	20.4
528.12366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01376	4.2
61.98830	5.4
63.96232	1.0
65.91657	0.5
69.03457	0.5
69.23824	0.5
71.01384	6.9
73.02943	2.7
78.98590	5.0
79.95736	8.1
80.96516	54.3
81.03454	0.9
85.02950	4.5
87.00868	2.9
89.02413	0.6
94.97484	0.6
94.98091	11.8
95.01434	0.5
96.95968	1.1
97.02954	2.6
99.00894	0.7
101.02465	2.3
106.98087	2.5
113.02461	1.0
115.83479	0.4
122.97581	2.5
125.02461	2.8
127.04053	1.0
134.97588	4.3
136.99153	1.1
147.02969	0.4
147.06657	0.5
148.99164	6.2
152.98630	4.9
164.98637	11.3
167.03500	0.5
191.01942	0.6
206.99675	2.1
209.11867	3.0
224.98541	0.9
225.00722	14.6
299.04514	2.6
445.59207	0.5
489.13998	0.6
489.20413	1.0
527.17987	100.0
528.18262	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01376	4.2
61.98830	5.4
63.96232	1.0
65.91657	0.5
69.03457	0.5
69.23824	0.5
71.01384	6.9
73.02943	2.7
78.98590	5.0
79.95736	8.1
80.96516	54.3
81.03454	0.9
85.02950	4.5
87.00868	2.9
89.02413	0.6
94.97484	0.6
94.98091	11.8
95.01434	0.5
96.95968	1.1
97.02954	2.6
99.00894	0.7
101.02465	2.3
106.98087	2.5
113.02461	1.0
115.83479	0.4
122.97581	2.5
125.02461	2.8
127.04053	1.0
134.97588	4.3
136.99153	1.1
147.02969	0.4
147.06657	0.5
148.99164	6.2
152.98630	4.9
164.98637	11.3
167.03500	0.5
191.01942	0.6
206.99675	2.1
209.11867	3.0
224.98541	0.9
225.00722	14.6
299.04514	2.6
445.59207	0.5
489.13998	0.6
489.20413	1.0
527.17987	100.0
528.18262	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85764	0.9
59.01381	100.0
69.66703	1.2
69.67037	1.8
71.01379	2.3
73.02955	1.4
80.96562	0.9
85.02974	2.0
88.98787	1.3
89.02471	2.5
96.02276	0.8
96.99329	1.7
101.02473	2.5
117.00498	1.1
137.62251	0.8
141.00499	4.9
141.01701	62.5
149.76031	0.9
158.89278	0.9
165.25601	0.8
167.07098	1.2
168.07445	1.2
173.06091	2.7
176.49574	0.9
179.07111	1.8
198.00130	0.9
201.02563	1.5
233.04562	1.6
261.04376	0.8
261.11462	1.3
317.12372	1.0
407.15494	2.5
446.08234	1.3
467.17627	3.5
527.10608	1.1
527.17694	2.2
527.25024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2531
Annotation	Chaetoglobosin C
Peak:m/z	Relative Intensity
53.82998	0.8
59.01358	1.6
59.55653	0.8
61.98804	1.5
69.03408	0.9
71.01374	7.0
71.13744	1.0
71.66097	0.9
73.02942	1.8
75.00858	2.1
78.98589	5.6
79.95734	7.9
80.96515	57.2
81.03414	1.0
85.02925	3.4
87.00861	2.8
94.98087	14.4
96.95995	1.7
97.02911	1.1
99.00872	1.1
101.02424	1.6
103.66027	0.8
106.98062	3.3
113.02412	2.6
122.97563	3.2
125.02397	2.4
134.97540	4.2
148.99107	4.9
152.98589	4.9
164.98604	10.8
206.99585	2.3
225.00725	15.6
227.20245	2.1
277.21698	5.5
299.04279	3.5
440.81760	1.0
449.14957	1.0
489.19299	1.1
527.25165	100.0
528.25317	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60671	1.5
57.03452	2.0
59.01381	15.8
68.86839	1.7
71.01381	17.0
71.41526	1.2
71.41930	1.5
72.99301	4.8
75.00871	18.7
85.02958	19.4
87.00867	6.3
89.02444	3.9
95.01389	5.1
99.00887	12.0
103.00358	2.3
113.02459	27.5
115.00367	1.8
117.01934	4.4
129.01845	1.4
132.16592	1.4
175.02460	4.6
231.05017	2.4
249.06166	22.9
267.07193	3.2
277.21716	73.1
278.22232	2.0
467.26688	2.0
509.18494	1.6
509.27698	3.7
527.28595	100.0
528.28711	4.9
537.58191	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37772	16.6
52.55391	17.0
65.65784	17.9
67.99059	16.8
69.05765	100.0
69.06163	29.4
78.95914	53.6
81.81652	19.2
93.86087	18.8
98.21870	37.8
100.28429	17.0
110.98564	43.6
122.22218	18.1
167.01074	26.6
185.02196	58.6
204.02678	19.8
219.07382	21.0
231.39441	17.4
255.23193	38.5
445.23660	36.3
527.29730	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98827	100.0
64.09469	0.2
69.17511	1.3
71.01382	0.7
85.02948	0.3
89.02449	0.3
94.92641	0.2
96.95992	0.3
100.57717	0.2
121.02945	0.6
122.03324	0.5
189.05637	0.3
190.06046	0.4
316.51501	0.2
511.36884	0.2
528.24634	0.8
552.35040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.8
59.84338	1.2
61.98817	4.1
69.62785	1.0
69.72849	3.5
69.73193	1.2
71.01381	2.6
73.38384	1.2
75.79132	1.1
89.02452	1.9
101.02460	2.5
177.16359	1.4
235.08311	2.5
249.18584	100.0
250.18858	2.1
253.09283	13.5
417.61813	1.5
491.26505	2.4
492.26776	8.9
535.86047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1954
Annotation	Colabomycin A
Peak:m/z	Relative Intensity
50.56873	0.3
51.12833	0.3
52.51917	0.3
53.42139	0.3
54.19675	0.3
57.03437	0.7
59.01379	3.0
61.98834	0.9
63.96232	0.8
69.03448	0.9
70.50970	0.5
71.01377	7.0
72.99300	0.5
73.02947	2.4
78.98586	4.9
79.95743	6.6
80.96516	50.2
81.03453	0.8
83.01377	0.5
85.02947	3.0
87.00856	1.9
89.02425	0.8
94.58349	0.3
94.98087	11.8
96.96009	4.0
97.02948	1.1
99.00871	0.4
99.04506	0.8
101.02462	3.0
106.98087	2.6
113.02448	0.9
119.03438	0.4
122.97591	2.7
125.02446	2.3
127.03992	0.7
129.01985	0.3
133.16298	0.3
134.97575	4.4
136.99129	1.1
141.01768	0.4
148.47360	0.3
148.99129	4.5
150.39780	0.4
151.00372	0.4
152.98631	4.4
164.98634	9.6
167.00247	0.3
167.03546	0.8
177.05965	0.3
191.05589	0.6
196.63983	0.3
206.99655	2.3
225.00726	15.4
229.14452	2.7
231.57457	0.3
265.84808	0.3
299.04373	3.4
374.64154	0.3
447.09323	0.4
447.57526	0.4
529.19580	100.0
530.19971	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.5
61.98820	1.1
69.00882	0.2
69.11734	0.9
69.12142	0.8
71.01385	5.0
73.02932	0.8
83.01380	0.7
85.02933	1.6
87.00875	0.5
89.02442	4.9
93.03455	0.9
95.01347	0.4
98.35738	0.2
101.02447	5.5
101.06721	0.3
111.08178	0.4
113.02440	2.8
119.03499	1.7
121.10230	0.6
134.03716	0.3
135.04536	0.7
136.55411	0.2
143.03494	0.7
144.23306	0.3
161.04558	3.0
162.83969	0.3
164.83594	2.1
166.83307	0.5
167.10847	0.3
171.10287	2.0
173.04556	0.4
179.05598	1.0
179.10649	0.3
179.14442	0.7
191.05603	2.5
195.13890	8.6
196.14676	1.4
205.12392	0.5
205.15868	0.3
211.13422	0.5
223.13388	5.2
224.14035	0.4
228.13596	0.4
231.21156	0.4
253.09285	29.3
254.09665	0.7
256.13126	0.8
265.21603	0.4
275.20151	6.8
283.87366	0.3
293.21228	100.0
294.21539	4.1
339.54538	0.3
492.22107	0.8
554.32294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
56.56920	0.7
57.03442	1.6
59.01379	12.4
60.35362	0.6
60.77711	0.7
61.98822	6.3
63.26393	0.7
69.14960	4.3
71.01379	13.0
72.99311	5.0
73.02941	0.9
75.00869	15.3
77.49623	0.7
78.95911	4.0
82.95405	2.2
83.01386	0.9
85.02947	15.0
87.00875	5.0
89.02447	2.8
95.01392	3.5
99.00882	8.3
103.00378	2.2
110.34445	0.7
110.98521	1.0
113.01704	1.2
113.02451	19.3
114.41273	0.6
115.00333	1.4
117.01929	2.1
159.53862	0.9
167.01175	1.0
175.02480	3.4
205.07188	1.1
231.05034	1.4
249.06149	17.2
265.16119	0.7
265.60696	0.7
267.07211	2.6
277.21725	6.6
278.22095	1.0
279.23282	71.3
280.23611	2.4
445.23962	3.7
447.24307	2.3
511.29031	2.5
529.30170	100.0
530.22327	1.0
530.30402	6.4
530.81641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32674	0.5
59.01369	1.4
61.98828	100.0
62.63483	0.6
71.07767	0.9
93.03452	1.3
98.84186	0.5
108.74937	0.5
131.13556	0.6
160.84276	1.1
162.83961	0.6
173.04607	0.7
223.17061	0.8
293.21414	1.9
294.21732	2.0
447.68140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23254	1.5
58.40310	1.6
59.01377	3.9
61.98829	70.9
71.01369	2.7
75.00882	1.9
78.95906	28.0
78.96326	2.1
85.02959	2.6
86.24323	1.3
99.00904	1.6
104.60649	1.2
110.98532	5.8
113.02423	2.4
138.90314	1.6
152.99608	3.9
161.73558	1.4
167.01137	6.6
185.02240	1.7
224.06943	9.6
242.07932	1.9
255.23300	100.0
256.23645	3.2
268.99606	1.3
277.21725	43.7
278.22076	5.0
279.23273	3.8
280.23618	4.4
298.87836	1.5
321.18359	1.4
362.19302	1.8
445.23615	21.8
480.30957	62.3
481.31256	3.1
530.21368	16.7
530.30414	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49664	2.5
59.01357	2.9
61.98817	9.9
70.31490	6.0
78.41406	2.7
96.95988	2.7
98.21857	2.9
98.56601	2.9
126.80610	2.5
130.70834	2.6
159.04674	2.6
160.84326	4.3
169.27650	2.5
311.78528	3.4
371.94696	2.8
487.34335	100.0
488.34564	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02407	0.6
57.03432	1.7
58.00584	0.8
59.01378	67.5
62.90154	0.5
67.01887	1.3
69.03453	2.4
69.65659	0.6
71.01381	35.6
71.44143	0.6
72.99306	1.6
73.02950	3.0
79.05656	0.6
83.01399	1.2
85.02941	10.4
87.00885	2.1
89.02442	38.8
93.03445	2.6
95.01385	28.4
96.96007	1.4
97.02947	1.3
101.02441	17.0
108.02174	1.2
109.02939	1.8
111.00927	1.1
111.04544	1.2
112.85403	0.6
113.02444	18.6
116.92860	1.7
119.03501	14.5
123.04504	1.2
125.02381	0.8
131.03539	1.3
135.04546	0.9
137.02435	6.6
143.03505	2.2
145.02957	0.7
149.04517	0.8
155.03520	1.4
155.62935	0.6
161.04559	3.1
173.04573	2.4
175.04031	0.7
177.01927	0.6
179.03667	0.8
179.05626	6.3
191.05527	0.8
193.04993	0.8
207.08110	1.7
235.07675	2.0
236.08536	0.9
261.05563	0.8
262.06317	1.8
263.07098	5.0
264.07727	1.3
275.07574	0.6
279.06845	1.0
281.08398	1.0
290.05939	1.9
291.06680	6.4
292.07330	2.3
295.05923	0.8
305.46530	0.6
307.06131	1.6
308.06973	1.0
309.07843	1.2
310.08426	2.3
319.06058	2.9
325.10687	2.7
335.05597	13.6
336.06375	13.3
336.10349	0.6
351.08728	100.0
352.09122	3.9
353.10089	0.8
369.09860	2.7
514.42188	0.6
531.14850	2.8
531.27924	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2808
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01868	2.8
57.03442	3.0
58.00587	1.1
59.01379	74.8
61.98819	3.5
67.77336	0.8
69.03448	1.7
70.55031	1.5
71.01378	53.3
72.30026	0.8
72.99300	1.8
73.02943	19.3
75.00868	1.7
82.95416	0.9
83.01387	5.9
85.02948	15.9
87.00874	3.6
89.02441	51.6
93.03447	1.2
95.01388	2.7
97.02960	2.0
99.00873	16.8
99.10450	0.7
99.92576	1.2
101.02442	34.5
111.00859	1.7
113.01698	1.5
113.02445	17.7
115.04001	1.4
116.92860	1.7
119.03499	13.2
121.02888	0.8
125.02458	4.4
129.01961	1.5
131.03499	7.8
135.04460	0.9
143.03487	2.1
149.04553	22.2
159.03000	2.0
161.02435	0.9
161.04541	8.5
166.77580	0.7
173.04495	2.1
179.05592	3.0
191.05617	7.0
233.06721	3.7
251.07700	1.3
252.36401	0.8
293.08679	1.8
325.01205	0.8
399.23837	30.5
400.24136	1.2
531.28113	100.0
532.28125	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3186
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
59.01375	3.4
61.98821	1.0
64.90828	0.4
65.63827	0.4
69.10798	0.9
69.11189	2.0
71.01374	1.3
72.00901	1.3
73.02969	0.4
74.02463	3.1
78.98589	0.4
80.96522	2.2
82.06644	0.9
83.02535	0.5
85.02947	0.7
89.02435	1.2
93.03452	3.9
94.98080	0.5
96.95995	2.8
98.01218	0.5
98.21854	0.6
99.00896	0.4
101.02427	1.2
107.05035	0.7
108.80663	0.4
111.01995	0.6
112.02779	1.1
112.07644	0.8
115.04082	0.5
119.05036	8.3
121.02991	0.6
121.04056	0.5
124.04036	0.5
129.10335	13.9
130.08725	0.7
134.06113	5.4
136.07664	1.4
137.02382	0.5
139.08728	1.6
140.07140	0.8
141.10379	0.4
143.07115	1.4
143.11905	1.3
151.08777	0.4
153.07924	1.0
155.08266	29.1
156.08572	0.8
157.13440	4.6
161.04457	0.6
163.04015	5.8
164.07137	0.4
165.13939	1.2
166.12383	1.7
169.09778	2.3
173.04550	1.1
180.06657	21.9
181.22044	0.4
187.10933	2.4
191.05653	0.6
192.10400	0.9
195.15173	0.5
197.12935	1.6
211.18156	5.6
218.06778	0.5
223.14673	0.4
224.65968	0.4
225.00735	0.6
229.41078	0.4
232.13483	0.9
235.16881	0.5
247.14462	0.7
249.16064	8.7
259.13351	0.4
275.14023	3.4
293.15073	13.6
306.25485	1.0
346.21356	1.4
350.24432	1.0
358.17719	0.8
373.20328	0.5
390.20251	0.9
487.32706	1.1
531.31873	100.0
532.32220	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01371	8.9
61.98826	13.2
66.82559	1.5
69.03435	5.0
78.95891	4.3
81.03458	2.0
95.05011	1.5
97.02924	2.4
97.06609	3.7
108.02155	4.1
109.02957	6.6
109.06580	2.1
110.98515	2.6
123.04513	4.5
123.08092	3.1
125.09714	7.0
135.08173	3.5
137.09727	4.0
141.05574	4.6
153.09227	11.6
153.21620	1.6
163.11288	5.6
165.09167	1.9
167.10742	5.0
171.10260	14.7
177.12823	2.3
179.10832	2.9
185.11826	10.6
191.14449	8.8
195.13885	7.0
205.12299	7.4
207.10385	3.6
209.11800	8.7
223.13376	47.3
225.11330	4.1
245.19127	20.6
263.20126	2.0
271.17023	2.6
277.21774	5.4
278.22107	5.0
279.23157	2.7
280.23727	2.1
281.23965	3.5
289.18085	87.2
290.18460	2.9
307.19141	100.0
308.19528	2.5
325.20181	31.0
401.90152	1.9
446.23654	2.9
449.22079	2.1
467.66232	1.9
495.31253	3.3
499.30768	9.6
513.32220	3.2
531.22351	4.0
531.31152	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94342	12.8
51.72136	12.8
59.01374	100.0
61.98820	64.1
65.34621	13.8
68.73534	17.0
83.30899	13.0
98.21777	27.3
255.09450	19.1
280.92975	16.4
281.11932	16.0
294.21619	31.0
295.22394	22.8
296.22998	33.8
347.25827	28.3
427.95743	16.4
489.21109	59.5
489.27521	20.8
533.28552	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98769	1.2
59.01379	3.9
61.98823	7.1
64.44177	1.3
71.01389	2.0
73.21084	1.3
86.26581	1.4
89.02455	2.6
90.14322	1.2
101.02415	1.6
108.69234	1.4
119.73018	1.4
120.53133	1.3
121.09830	1.4
125.20438	1.3
132.83669	1.3
220.33479	1.3
235.08131	1.7
239.48758	1.6
253.09258	12.0
253.21725	100.0
254.22000	1.8
406.86407	1.7
415.30795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82504	1.4
59.01374	2.7
61.98834	8.8
66.65964	1.1
78.95867	1.4
80.74791	1.2
83.01395	1.9
98.21906	3.8
101.02437	3.2
107.61248	1.5
110.59193	1.3
141.76051	1.3
169.10507	1.2
221.91139	1.3
235.08179	2.0
236.15884	1.5
253.09241	12.8
253.21729	100.0
254.22162	1.9
279.22992	2.4
294.17847	1.3
505.63104	1.3
525.43689	1.5
533.28784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
51.93911	0.4
59.01379	6.9
61.98841	0.7
63.02398	1.2
65.00320	0.9
69.01592	0.5
69.12229	1.7
69.12634	1.5
73.02945	2.0
83.01379	1.2
83.25694	0.4
85.02950	1.8
89.02439	1.2
96.95995	1.2
99.00883	0.7
100.93380	0.7
101.02435	1.9
107.01385	2.2
109.02934	1.0
113.02429	0.8
116.92854	1.1
119.03525	0.9
120.42005	0.4
121.02903	0.5
133.02972	4.2
134.03740	1.4
135.04422	0.7
148.01628	0.6
149.02489	0.9
151.00366	4.9
158.89296	0.5
161.04626	0.6
171.04459	0.7
173.04579	0.7
175.04002	1.2
183.04491	0.7
191.05428	0.5
199.04013	1.9
211.03976	1.9
213.05550	0.6
217.04982	1.3
227.03516	2.3
227.98775	0.5
239.03383	0.7
241.04990	0.6
243.02953	0.8
255.03061	1.4
256.03754	4.4
281.08163	0.5
283.02451	1.0
284.03256	70.0
285.04028	98.7
286.04422	3.4
327.05182	0.8
447.09338	1.3
489.10376	100.0
490.10742	5.6
533.22150	1.4
533.29950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01379	1.3
67.01872	0.5
69.79485	0.4
69.79821	0.4
71.01370	1.2
73.02951	0.3
73.98582	0.2
83.05022	0.3
83.41433	0.2
85.02945	8.5
87.00858	1.7
93.03461	2.9
98.22620	0.3
99.00883	0.3
99.04501	0.3
109.02950	0.7
111.04505	1.0
118.41666	0.2
127.04018	2.2
129.01965	1.3
145.64604	0.2
150.04567	0.2
154.80864	0.3
164.79797	0.2
171.03043	0.6
173.04518	0.8
191.05605	100.0
192.05969	0.9
202.77519	0.3
300.31290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
57.03447	2.7
58.00616	0.5
58.22375	0.5
59.01376	41.8
69.03477	1.1
71.01379	55.4
72.01744	0.7
72.99346	0.8
73.02942	29.3
75.00886	1.5
81.03505	0.6
83.01382	9.2
85.02947	28.1
87.00462	0.5
87.00883	2.8
89.02441	20.2
89.45190	0.5
90.62742	0.5
95.01367	3.0
96.96037	0.9
97.02944	3.5
99.00877	22.6
101.02439	49.8
102.02764	0.6
107.05101	0.6
112.01663	0.7
113.02445	26.1
114.05642	0.5
115.04091	0.6
116.92903	1.4
119.03545	0.8
119.28773	0.5
122.34615	0.5
124.84374	0.4
125.02438	6.3
125.03154	0.6
129.01991	1.6
131.03491	4.3
131.07173	0.7
143.03481	4.3
147.06676	0.9
149.04546	5.8
159.02986	5.0
161.04559	27.2
191.05588	3.8
205.03427	0.8
209.89427	0.5
221.06682	0.7
221.11797	0.6
225.11223	0.6
233.06689	1.2
251.09381	0.8
269.10284	51.3
270.10672	1.8
293.08728	0.8
370.08600	0.6
383.13565	0.7
401.14484	67.0
402.14841	2.8
468.31216	0.6
468.51938	0.5
533.18701	100.0
534.19000	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43501	1.2
54.65862	1.1
55.06687	1.2
56.06228	1.1
56.98512	1.1
57.03435	4.5
57.07238	1.3
59.01377	40.9
59.50845	1.2
71.01372	20.2
73.02929	4.5
73.69026	1.1
83.01383	2.2
83.05029	3.0
85.02930	7.7
87.00883	6.1
89.02436	18.0
95.01411	1.9
95.05031	2.1
97.06606	3.2
99.00896	1.2
99.04522	1.5
101.02440	15.1
107.05012	6.5
107.83864	1.3
113.02486	8.3
119.03484	3.8
120.05812	4.9
121.05091	6.9
125.02468	2.0
125.06053	2.9
135.04518	3.3
147.04503	1.4
149.05968	1.4
161.04550	4.4
161.09700	13.5
161.13351	5.9
163.11258	2.5
165.09137	1.3
167.03563	3.3
179.05688	2.5
187.11276	14.6
189.09195	10.4
203.10791	1.3
205.12302	9.6
207.10278	6.1
209.04556	2.2
209.08122	2.6
221.08250	2.1
231.10268	2.0
249.11288	8.5
251.09276	3.9
263.09128	3.0
267.12122	1.6
281.10254	1.9
283.10294	13.1
293.10263	26.2
321.47803	1.3
323.11349	18.8
353.12228	4.3
395.13412	1.8
413.14413	5.5
515.21765	1.7
533.22406	100.0
534.22864	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15651	1.3
57.03431	3.8
59.01378	57.2
61.92851	1.2
61.98804	5.1
69.95837	2.7
71.01381	23.5
73.02934	9.5
75.00842	3.8
77.96490	1.0
82.76493	1.3
82.95391	1.7
83.01366	4.5
83.05015	3.5
85.02937	8.3
87.00892	5.9
89.02437	16.3
95.01382	1.5
97.06568	2.3
98.22535	1.8
99.00872	3.5
99.76149	1.3
101.02438	17.7
107.05026	7.8
111.00903	1.3
113.02444	9.5
116.92848	6.4
119.03487	6.2
120.05783	3.4
121.05022	6.3
135.04515	2.8
143.03464	1.8
161.04559	7.3
161.09741	11.4
161.13330	5.7
163.11235	4.1
173.04474	1.2
187.11279	13.3
189.09206	9.4
205.12248	8.1
207.10323	6.6
249.11270	5.3
263.03445	1.8
267.12210	1.8
278.05597	1.4
283.10242	9.5
285.17041	9.9
312.37515	1.6
356.05487	1.3
365.06540	2.8
389.14386	2.1
413.21497	1.7
473.27850	1.6
515.21106	2.8
533.22339	100.0
533.29089	5.3
534.22955	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77243	0.5
59.80095	0.6
61.98830	0.7
66.52956	0.6
69.11723	0.5
69.74895	1.2
69.75239	1.4
74.51721	0.5
78.95898	23.5
85.06606	1.2
93.82907	0.6
98.21873	0.8
104.97506	0.9
110.98524	15.6
110.99216	0.9
124.02259	0.6
127.87093	1.2
141.09227	0.6
142.77185	0.7
155.14508	0.7
159.85974	0.8
163.11243	1.1
165.12865	2.0
167.01140	16.0
170.25920	0.6
181.12352	1.8
185.02197	3.4
196.32901	0.6
199.13385	21.3
211.13376	0.7
223.13383	0.7
273.18622	0.6
279.19693	8.5
281.21243	0.7
291.19669	4.1
309.20731	17.2
310.21222	0.8
347.25891	8.9
353.46414	0.7
363.25128	1.2
365.26929	100.0
366.27127	2.9
515.33575	1.1
533.12811	2.4
533.28821	53.6
534.28949	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.288
Annotation	OCHROCARPINONE A
Peak:m/z	Relative Intensity
55.44325	0.8
60.93047	0.8
61.98818	1.2
63.00768	0.8
69.42625	4.0
78.95907	28.7
95.91091	0.8
96.96017	0.9
104.97462	1.4
110.98529	20.8
137.00139	1.0
165.09230	1.2
167.01155	14.1
168.83636	0.8
179.10768	1.2
185.02228	2.6
219.49603	1.0
220.87880	0.9
259.20544	1.1
277.17886	1.3
303.26877	3.0
329.24701	1.3
347.25903	100.0
348.26224	4.1
365.26929	24.3
434.85083	1.1
515.28162	0.9
533.28857	95.1
534.29572	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2885
Annotation	Aristophenone A
Peak:m/z	Relative Intensity
55.09533	0.4
59.01376	9.3
61.98849	0.4
66.92733	0.4
69.91906	0.9
78.95903	24.2
95.54066	0.4
98.21982	0.6
101.33896	0.4
104.80325	0.4
104.97506	0.6
110.98528	19.7
121.02968	0.4
121.15244	0.4
133.06703	0.4
137.06129	0.9
151.07635	0.6
152.99620	0.6
165.09250	1.1
167.01149	15.4
174.99211	0.7
179.10811	1.0
184.91743	0.4
185.02193	5.2
186.08366	0.4
214.99423	0.5
217.00319	1.6
224.94609	0.4
231.17566	0.5
259.20752	0.6
271.64551	0.5
303.26898	3.4
309.23993	0.4
329.24893	1.1
334.07404	1.1
347.25900	100.0
348.26178	4.1
365.26929	31.0
366.27322	1.2
374.99188	0.9
473.32904	0.5
533.28845	74.9
534.29315	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33525	0.3
59.01378	100.0
60.01707	0.5
61.98825	1.2
65.13877	0.4
68.54350	0.4
70.94665	0.6
78.95907	3.0
110.98544	2.2
125.76973	0.3
139.93872	0.4
150.20380	0.4
152.99463	0.4
167.01192	1.8
347.25900	12.3
348.26199	0.5
365.26926	4.5
407.29779	0.6
425.30814	0.8
453.30334	1.0
473.32761	7.7
533.28772	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3483
Annotation	Agosterol F
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	0.8
69.24249	1.3
89.94552	0.2
110.55365	0.3
174.29768	0.2
217.00389	0.3
279.74258	0.3
372.65561	0.3
437.05176	0.2
443.81207	0.4
473.32596	1.4
533.35095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04715	0.9
51.28962	1.0
52.46254	1.0
58.02983	5.3
59.01377	62.9
61.98829	96.1
68.55596	0.9
69.23665	2.2
69.24068	4.0
71.01385	14.9
73.02944	40.9
73.03361	1.9
74.02474	12.7
77.37679	1.0
82.02988	1.3
83.01388	11.2
85.02930	2.6
86.02471	3.9
86.99131	1.3
87.05627	3.5
88.04049	1.3
89.02446	6.8
90.00156	1.5
99.05637	8.2
101.02445	32.1
101.07206	1.5
108.02168	1.7
109.04056	1.3
109.07688	1.2
110.83524	1.1
112.04067	1.2
113.02467	9.6
116.01752	1.5
119.03504	4.9
123.05532	1.1
125.02563	1.0
125.03552	1.3
127.05132	1.8
128.03542	30.7
130.69704	1.0
131.03464	2.1
135.05675	2.6
141.06697	1.8
143.03526	4.7
143.04614	40.1
145.06183	1.9
146.04591	2.6
149.04582	7.8
151.60399	1.1
153.06726	3.6
160.00746	13.5
161.04541	19.2
167.04637	3.9
177.03357	4.2
179.04579	9.2
179.10800	7.2
184.10887	1.0
203.05602	1.5
204.90358	1.1
209.11877	1.3
210.08850	8.5
219.06618	1.3
221.06723	5.3
242.07796	1.5
254.07808	8.4
268.71634	1.0
272.08850	16.6
288.06573	6.1
298.25589	1.2
306.07645	100.0
307.07761	1.9
477.21762	1.1
534.21515	4.2
554.97986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.02978	5.0
59.01377	61.4
61.98829	100.0
66.03476	0.8
69.55785	0.6
71.01381	16.4
71.72353	0.6
73.02944	43.7
74.02471	10.4
81.04600	0.8
82.02982	1.0
83.01390	10.0
85.02964	2.2
86.02468	4.4
86.06139	0.8
87.05634	2.2
89.02448	7.4
90.00186	1.1
92.93667	0.7
95.01410	0.8
97.04099	1.4
99.05638	9.2
101.02441	34.2
101.07210	1.7
102.05608	1.0
108.02180	2.0
109.02998	0.9
109.04067	1.7
109.07761	1.1
112.04056	1.8
113.02441	9.2
119.03494	3.9
123.04520	2.0
125.02464	1.5
127.05164	1.1
128.03540	23.6
131.03529	2.7
131.36971	0.7
135.05638	1.8
138.72578	0.7
141.06714	1.8
143.03542	3.7
143.04611	32.8
145.06242	1.6
146.04642	2.6
149.04555	6.5
150.07819	0.7
153.06741	2.6
155.03532	1.4
158.37132	0.7
160.00732	9.2
160.83284	0.6
161.02547	0.8
161.04558	14.8
166.09853	1.4
167.04675	2.5
167.08244	1.2
170.03462	0.9
177.03407	4.4
179.04605	7.6
179.10767	5.1
181.06276	0.8
185.05688	1.7
197.05759	1.2
203.05620	1.9
209.11835	1.0
210.08878	7.3
221.06575	4.5
254.07814	8.6
259.40778	0.7
272.08868	13.9
288.06656	4.2
306.07639	78.7
307.08044	1.2
343.12042	2.8
534.21643	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23230	0.8
58.02965	5.3
59.01379	10.9
61.98828	12.7
66.28716	0.7
71.01385	3.1
71.42611	0.8
72.00913	1.4
73.02950	5.7
74.02473	13.8
81.04592	1.3
82.02976	1.1
83.01390	1.5
86.02483	4.7
86.06168	1.1
86.99072	1.1
87.05630	1.7
89.02443	2.0
93.03460	3.1
99.05637	9.7
101.01855	0.7
101.02433	4.5
101.07207	1.7
102.05596	2.1
109.04069	1.4
109.73458	0.6
111.05632	1.0
112.04054	0.8
113.02460	1.3
116.01751	1.1
116.92861	0.9
119.03478	1.0
119.05029	2.7
123.05649	1.1
125.03561	1.7
127.05148	1.8
128.03539	31.8
130.08743	13.8
135.05627	3.0
141.06697	2.3
143.04617	42.0
145.06172	1.5
146.04602	4.1
149.04565	1.2
153.06693	3.5
160.00739	10.4
161.04572	3.1
163.04001	1.8
166.09848	2.4
167.04587	2.4
167.08252	2.7
177.03369	3.4
179.04568	8.0
179.10861	0.9
180.06664	9.7
181.06110	1.5
183.15103	1.5
185.05682	1.9
192.07814	1.0
209.11823	1.1
210.08803	7.4
221.06711	0.9
242.07777	1.0
254.07774	9.5
272.08875	18.5
288.06537	6.5
306.07645	100.0
307.07907	2.1
310.25064	0.9
313.03622	1.9
354.23804	4.1
373.12637	0.7
534.21332	7.0
535.10852	3.0
535.23114	1.4
535.31409	16.0
554.70447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.9
61.53801	0.8
61.98822	2.5
69.11294	5.9
71.01366	2.5
78.95910	1.3
85.02943	0.9
89.02450	1.1
99.78810	0.9
101.02460	1.1
113.02482	0.9
119.03539	1.2
123.74088	1.2
131.62759	1.0
178.90671	1.0
197.34715	1.2
221.04320	1.0
229.58568	0.9
235.08165	4.1
241.75710	0.8
253.09274	14.2
255.23271	100.0
256.23538	2.8
433.44351	1.1
436.62634	0.9
491.32419	1.1
547.08844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03413	1.3
59.01382	18.8
61.98811	2.6
71.01370	5.4
73.02929	2.9
75.00867	1.4
83.01387	1.6
85.02943	3.0
89.02454	5.2
93.03448	3.0
95.01343	0.9
96.95995	0.9
99.00890	0.8
101.02462	5.4
107.05028	0.8
108.02170	7.3
109.02958	37.1
111.00861	1.5
113.02438	3.4
119.03477	1.2
119.05017	1.8
121.02972	5.0
122.03764	1.5
123.00919	1.4
123.04485	2.3
124.01637	1.3
130.04269	1.0
130.08728	1.2
131.05061	3.6
133.02930	1.2
134.03671	1.0
135.04507	2.2
136.01685	1.2
137.02406	0.9
143.04994	2.2
145.01445	0.8
145.06589	1.1
147.04543	2.0
148.05293	0.9
151.04048	0.8
152.01193	5.6
152.07147	1.4
158.03737	1.4
159.04539	4.2
161.02472	7.8
161.04631	1.4
161.06067	1.6
167.03514	7.8
168.23512	0.7
171.04475	0.8
173.06087	1.7
174.03223	6.3
175.04013	85.1
176.04568	2.1
179.05652	1.0
180.06749	1.2
187.03992	3.8
188.04785	2.1
189.05598	2.5
190.02748	3.1
191.03578	0.8
191.05681	0.9
205.05042	1.9
237.09180	1.2
245.04544	14.5
253.08641	1.2
263.07150	0.9
266.05896	2.0
281.08221	13.8
283.09702	1.6
293.08325	0.9
295.10858	1.5
296.06900	1.1
307.11072	0.7
309.07700	24.4
311.09262	100.0
312.09634	2.2
337.07233	6.2
353.08932	1.3
355.08246	94.9
356.08624	3.0
367.10263	4.0
373.12909	1.1
415.23245	1.4
419.68497	0.7
460.18967	2.7
499.12204	0.8
504.17700	2.6
535.14758	5.8
535.23669	1.0
535.31592	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.1
57.03445	2.1
58.00594	1.1
59.01377	51.1
61.98816	0.4
67.01894	0.5
67.73090	0.4
69.03459	5.6
69.41480	1.5
70.02967	0.4
71.01380	50.1
71.05009	0.8
72.99302	1.6
73.02944	25.9
75.00864	4.6
76.65322	0.4
81.03454	2.8
83.01379	5.6
85.02951	12.5
87.00880	3.4
89.02441	45.7
93.03421	0.7
95.01409	2.8
96.96012	1.7
97.02338	0.9
97.02943	12.2
99.00877	40.1
99.04507	2.6
101.02442	46.9
101.06075	5.4
107.01408	0.9
108.02160	1.2
109.02980	0.6
111.00879	2.5
113.01692	0.8
113.02445	9.3
115.04011	12.5
116.92844	0.6
119.03499	3.2
123.04527	1.2
125.02445	15.0
127.04015	1.6
129.01855	0.5
131.03510	8.1
133.01436	1.1
133.05098	0.5
137.09671	0.6
143.03514	5.6
149.04555	21.2
151.00349	0.4
155.03470	0.8
159.02960	0.6
161.04541	4.3
161.09738	0.6
173.04590	1.0
175.03998	0.5
175.06148	0.8
179.05566	0.6
179.10809	0.9
182.03510	0.5
191.05611	14.8
195.06706	0.5
197.11839	1.3
204.98358	0.5
205.12340	1.3
209.11737	0.6
215.05640	1.3
221.06750	1.0
223.13461	0.5
233.06638	13.5
234.06863	0.6
241.14468	4.2
251.07661	1.4
275.07809	1.0
281.33688	0.4
293.08725	4.7
385.18768	0.6
403.19672	17.6
404.19931	0.7
454.08304	0.6
517.23010	0.9
535.23938	100.0
536.24231	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.62934	1.5
68.05067	2.4
69.14791	10.2
71.01381	20.4
71.02505	15.4
72.00927	8.9
72.01279	1.9
73.02954	13.8
75.00873	4.4
78.91884	4.9
83.01385	2.8
85.02943	6.6
87.00903	1.8
89.02451	12.1
90.95467	1.8
96.96023	14.5
99.00877	2.7
101.02447	19.8
101.06092	2.0
111.44958	1.6
113.02430	14.4
113.07203	4.5
116.92087	2.6
116.92863	31.0
117.01916	2.3
119.03503	7.1
121.02954	4.2
129.10364	5.2
132.48219	1.8
133.05325	2.5
135.04468	2.8
136.01636	3.0
143.03522	3.0
151.03993	3.1
152.07155	2.3
155.03665	1.7
161.04579	9.4
165.04106	1.8
167.03505	4.2
170.09328	3.2
173.04802	3.6
175.04031	1.9
179.05641	8.1
183.08153	9.9
185.72850	1.7
193.06546	1.9
195.08128	3.4
205.17380	1.6
209.09695	5.5
221.09723	4.7
224.10805	23.7
226.15575	2.3
236.10765	8.8
254.11858	4.6
264.10266	32.9
266.14948	2.8
281.12964	22.9
283.17752	5.7
290.80005	1.7
295.10800	2.3
308.09183	2.8
309.53549	1.8
325.11905	42.6
327.18167	2.0
378.18295	2.3
415.23306	21.6
433.24399	8.3
448.26135	2.9
449.14655	5.5
460.18713	2.5
475.25534	4.9
491.15787	3.2
491.26520	18.7
504.17914	3.4
505.18622	3.1
535.19910	2.7
535.25684	28.6
535.31903	3.3
545.85522	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30568	0.5
58.16152	0.4
59.01379	5.6
61.98832	1.0
69.50214	2.1
71.01369	2.1
72.00904	5.7
73.02941	1.0
74.02473	10.0
78.12968	0.4
80.05048	0.5
82.06618	1.0
84.07740	0.5
84.08193	2.1
85.02938	0.6
86.02442	0.6
87.54094	0.5
89.02446	1.4
92.43414	0.5
93.02861	0.9
93.03456	17.6
96.04550	0.5
98.21894	0.7
99.05637	1.0
101.02439	2.1
106.04227	3.3
107.05007	1.4
110.48651	0.5
113.02458	0.8
113.06052	0.6
119.03564	0.5
119.05023	13.0
126.09193	0.6
128.03529	2.5
130.08737	83.5
131.09038	1.0
134.06084	0.9
136.07675	1.4
141.06766	0.6
143.04642	4.0
143.11908	4.2
144.04935	0.8
144.10306	1.2
153.10339	2.0
154.93216	0.5
156.06671	1.8
157.21724	0.5
160.00706	0.9
161.04517	0.6
163.04015	10.5
164.07182	0.6
170.08226	0.9
178.22310	0.5
180.06656	61.9
181.07054	1.1
181.51189	0.5
183.15013	9.0
184.13385	0.7
193.11087	0.9
195.11371	1.6
197.16588	3.9
210.11301	0.9
210.13683	0.5
223.14482	4.3
225.16069	2.5
254.12730	1.2
272.08862	1.8
273.09320	0.8
288.06723	0.7
296.19702	3.6
306.07629	5.4
307.07874	5.9
308.07245	0.8
310.25021	7.0
312.02844	0.6
313.03326	0.8
354.23981	25.5
355.24338	1.0
373.12872	1.3
431.22742	0.6
475.08774	1.0
503.16534	0.5
535.10803	1.8
535.31348	100.0
536.31732	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	7.1
57.75943	5.2
59.01376	11.3
65.03947	7.2
70.50905	6.5
78.95896	22.3
79.80504	5.5
83.05021	9.5
95.05025	5.3
95.17062	4.9
97.06578	10.6
108.14796	6.6
109.06586	9.6
117.07111	9.9
123.08154	7.5
125.09729	40.6
128.39838	5.4
157.93456	6.1
163.11234	11.0
163.39661	6.1
165.12906	6.9
171.10289	7.3
172.26865	5.4
185.11774	16.9
187.14917	19.1
207.10254	6.7
209.11835	30.7
209.15433	8.0
211.13419	27.8
213.12993	8.0
231.12195	5.0
231.13965	54.7
233.11798	6.9
235.13330	8.8
237.14999	32.4
247.13370	9.5
249.15028	27.2
265.14395	15.7
287.16483	8.8
329.24695	12.5
355.22372	6.2
357.24252	8.8
373.23828	31.8
383.22269	17.0
391.24887	33.4
401.23334	100.0
402.24060	11.8
419.24338	42.4
420.24899	8.8
435.18509	6.4
437.25244	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
61.98829	100.0
68.46484	1.3
69.33002	7.5
110.12470	1.3
119.28049	1.2
172.52435	1.2
272.91705	1.3
287.13144	1.4
295.62860	1.3
312.37753	1.6
473.28784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98835	0.8
70.15821	0.9
70.16154	1.5
80.05064	9.6
86.42574	0.7
94.06630	3.1
104.05082	3.5
106.06643	3.9
107.03782	5.2
108.04579	2.8
121.05357	1.3
122.06133	24.1
124.07696	1.1
130.06645	1.3
132.04555	1.4
134.06120	12.3
136.07698	5.2
146.06119	3.3
148.04062	3.7
150.05659	0.9
152.07176	57.1
153.07501	1.3
160.04048	2.5
160.07651	1.1
160.87869	0.8
161.04573	0.9
173.04767	1.3
174.05609	3.5
180.06657	9.4
186.05652	1.0
188.07190	24.6
197.10950	1.0
210.08081	1.8
211.08765	4.8
223.08817	1.1
224.09659	1.0
225.10323	5.9
226.11130	1.5
227.11905	7.9
233.10919	0.8
235.08778	1.2
237.10272	1.9
238.07468	3.9
239.08336	1.0
239.11778	2.0
245.12936	5.4
248.09718	1.2
249.06784	1.1
250.07437	0.9
251.08247	2.9
251.11903	5.0
252.09035	3.9
253.09816	13.7
254.10500	1.4
263.12006	0.8
264.08917	1.1
265.09848	3.6
266.10516	1.7
267.11340	6.3
277.09906	5.6
278.10529	1.1
279.07761	4.6
279.11353	3.2
280.08652	1.2
292.08499	1.2
293.09393	3.7
294.10028	4.2
295.10892	47.7
296.11353	1.6
307.07678	1.3
307.10904	15.7
313.11917	1.3
321.08804	1.1
323.10370	2.7
339.09845	1.7
390.18033	1.2
392.19763	1.8
412.16541	0.9
418.17728	1.4
432.19095	3.5
458.17462	1.0
460.18784	91.6
461.19043	4.9
476.18192	3.0
486.16489	1.3
504.17780	100.0
505.18164	5.4
536.20398	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35165	7.6
61.98829	100.0
71.36213	8.3
96.96001	11.1
100.99467	8.0
120.53318	9.8
123.11848	7.9
124.44778	8.5
131.34647	10.5
152.99670	9.7
202.94287	11.2
299.60590	9.1
309.93683	9.0
313.40518	10.1
374.80359	10.0
493.25067	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26803	0.6
61.98830	100.0
90.73373	0.6
98.94518	0.7
99.76994	0.6
100.02199	0.6
108.53616	0.7
120.68565	0.7
163.04048	2.7
167.18480	0.7
181.05124	2.3
364.44446	0.8
536.32867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1398
Annotation	5-Methoxyxanthocercin A
Peak:m/z	Relative Intensity
52.94375	1.7
54.22252	2.0
56.65723	1.7
59.01394	2.2
59.46911	2.0
61.98824	4.3
62.69667	1.5
63.72220	2.1
67.08444	1.7
69.76146	6.6
89.94379	1.8
96.96013	5.1
98.21955	4.0
104.97719	2.6
115.88666	2.1
129.91684	1.9
139.59921	1.8
160.77657	2.0
185.11763	2.0
199.79695	1.8
202.94171	7.3
235.69963	2.0
289.18066	2.0
309.20685	5.1
345.04028	8.7
346.04816	4.1
359.05493	4.9
360.06540	3.2
371.05652	2.6
373.03076	11.9
374.04025	3.2
375.05185	3.0
385.07034	2.6
387.04932	4.1
388.05862	16.1
389.06628	11.7
403.08139	10.0
414.07138	3.3
416.05161	4.7
429.09650	2.7
431.07669	39.0
445.09335	9.4
446.09979	23.4
448.07938	4.2
461.12384	47.3
463.10352	8.9
505.11502	10.2
522.11713	3.1
537.14014	100.0
537.34924	3.5
538.14166	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18641	0.3
52.36327	0.3
53.76926	0.3
55.83457	0.3
57.03437	0.3
58.59246	0.3
58.67897	0.3
59.01380	5.7
60.15815	0.3
61.98819	1.0
65.03960	3.5
67.01875	1.9
67.99740	0.3
69.46716	1.2
71.01378	2.9
72.99342	0.4
73.02942	0.7
75.00871	1.2
83.01364	0.4
85.02943	1.2
87.00862	0.5
89.02451	3.3
89.31063	0.3
91.01891	15.2
96.95999	0.3
99.00875	0.9
101.02444	1.6
101.15954	0.3
104.70865	0.4
109.02946	26.4
109.27924	0.3
109.93476	0.3
111.04488	0.4
112.35995	0.3
113.02486	0.8
117.01952	0.4
119.05016	1.3
119.44400	0.3
121.02932	1.0
122.03735	0.5
123.04531	3.4
125.02441	1.5
131.03484	0.4
135.00882	41.3
135.98306	0.5
136.01227	0.4
136.22632	0.3
137.02490	0.4
141.01770	0.7
149.02502	0.5
149.04578	0.6
150.03242	0.7
151.03998	0.3
153.01932	100.0
154.02274	1.7
159.04416	0.4
161.04582	0.3
161.06134	0.3
163.04060	0.3
165.05479	0.5
177.01912	0.3
177.05597	0.5
191.05562	0.5
198.99431	0.3
221.04536	1.6
233.06654	1.0
243.06656	0.9
251.05576	0.8
282.74265	0.3
293.08826	1.0
297.06171	0.5
299.09274	0.8
310.14401	0.3
313.14316	0.4
327.08643	0.9
345.16980	0.6
357.09695	0.5
375.18253	1.0
429.04599	0.4
429.10397	9.0
477.19205	0.6
489.19125	0.5
505.16388	0.4
537.15826	7.2
537.22900	0.9
537.32648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98206	2.1
59.01375	78.4
61.98831	9.7
68.78279	2.4
68.91053	2.2
69.03449	6.6
69.84647	8.0
71.01379	73.1
72.69170	2.5
73.02948	13.9
79.83821	2.0
81.03449	5.9
83.01367	4.7
85.02942	13.1
89.02444	98.9
96.95996	5.5
97.02947	11.5
98.21926	4.9
99.00887	16.2
101.02460	21.4
113.02448	11.9
114.27944	2.8
115.04010	8.4
116.92887	3.4
119.03497	4.7
125.02445	44.0
131.03513	9.5
132.38646	2.4
135.04521	4.7
137.02400	2.9
143.03516	5.4
149.04553	18.9
150.03183	3.1
153.01924	30.8
161.02339	2.7
161.04550	5.6
165.05624	2.8
168.04282	18.8
173.04248	3.3
181.04752	2.3
183.06471	2.5
191.05638	12.2
233.06630	28.5
241.46941	2.3
293.08780	100.0
327.12271	6.0
339.12280	3.5
345.13217	2.4
366.76639	2.8
461.96548	2.8
477.16351	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
57.03424	3.1
59.01380	92.4
61.98813	3.2
63.96238	2.2
71.01017	2.1
71.01382	29.2
72.99297	2.3
73.02937	7.4
75.00864	9.7
75.58702	1.5
80.91666	4.6
81.03468	2.3
83.01367	4.7
83.05002	1.9
85.02947	15.7
87.00866	5.4
89.02442	16.0
91.01890	5.9
92.92706	1.9
93.03450	3.7
95.01383	2.2
96.83898	1.6
96.96027	2.4
99.00891	3.5
99.04546	1.8
101.02428	22.0
108.02186	2.6
109.02949	14.0
111.00898	3.2
113.02443	13.3
119.03493	6.3
121.02962	17.8
122.03722	5.3
122.99951	1.6
123.04517	16.0
125.02495	2.5
129.01929	2.1
135.00850	6.5
135.98398	3.7
137.02434	3.2
141.01712	8.6
147.04521	3.5
149.02388	2.5
150.03287	2.6
151.00337	3.9
152.01114	5.9
153.01932	25.4
156.26314	1.7
161.04604	4.4
161.06046	1.8
163.11320	2.8
164.04727	1.9
165.04024	5.0
165.05540	14.2
166.02701	5.3
167.02126	2.2
167.03499	43.3
179.03404	2.0
179.07098	4.5
181.05080	6.5
187.03952	4.0
191.01915	2.0
194.02148	3.0
195.02953	6.3
207.10263	7.2
209.04559	23.8
210.53802	1.9
254.54799	1.8
255.05077	6.1
269.06604	4.9
289.37930	1.9
293.08145	1.6
309.11288	1.8
312.13861	1.8
326.11636	2.2
327.15933	2.3
329.14120	1.8
331.11740	2.5
345.17096	6.7
360.15741	11.4
367.08105	2.9
369.15515	6.0
373.12750	2.0
375.14386	7.5
375.18250	55.3
376.18481	4.1
387.16626	27.9
394.65121	1.9
463.16080	7.6
477.18494	6.6
477.30060	2.4
489.18936	3.6
497.98065	1.7
505.17310	9.4
507.19547	2.7
519.19879	8.7
537.20111	100.0
537.33185	4.2
538.20520	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1985
Annotation	Tanegoside
Peak:m/z	Relative Intensity
59.01377	19.1
61.33309	1.5
61.98820	5.9
71.01378	12.2
71.42941	1.8
85.02944	4.6
87.00858	1.6
89.02428	15.9
93.06187	1.7
96.96010	3.2
99.00917	2.0
101.02448	6.5
108.02158	2.2
109.02956	22.3
113.02448	3.9
115.00346	3.0
116.92857	3.5
119.03489	2.0
121.02977	2.5
125.02433	6.3
125.82024	1.6
131.03487	2.9
135.04582	2.0
136.01665	13.3
137.85887	1.4
145.02998	2.5
146.03758	2.6
147.04475	3.4
149.04539	3.7
149.06067	4.9
150.03250	5.1
151.03998	9.0
153.01942	3.3
159.04446	2.2
160.05228	2.7
161.02457	3.6
161.06107	2.5
165.05525	4.5
168.04201	2.5
172.05275	2.3
174.03168	1.9
175.02441	4.9
175.03995	7.0
176.04790	4.0
187.03868	2.0
189.05603	6.8
190.06308	5.2
191.05602	1.8
191.07159	6.9
195.06641	5.5
215.03520	1.7
219.02925	2.3
231.55127	1.4
233.04486	1.6
237.04059	3.0
239.07089	3.1
267.06610	42.3
267.71997	1.5
268.06934	2.0
279.06638	8.0
281.08206	1.6
282.08966	36.5
283.09323	2.2
293.08667	5.4
294.08960	7.3
297.08020	3.6
297.11282	100.0
309.11267	1.5
312.10101	13.7
315.12207	2.0
327.08414	3.3
327.12332	69.4
328.12686	3.0
337.05634	7.1
345.13406	45.8
357.13455	14.3
358.13940	1.9
375.14493	71.0
376.14645	2.7
499.11017	19.2
500.10977	2.0
501.11685	2.4
537.19489	4.6
543.87939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86658	0.6
59.01382	5.9
61.98819	1.9
68.99843	0.6
69.03487	0.6
71.01379	7.1
72.99293	0.6
73.02921	3.0
75.00856	1.0
79.72263	0.6
83.01364	1.0
85.02944	2.8
89.02437	5.1
90.21283	0.6
93.03428	0.7
96.95999	2.7
97.02956	1.2
99.00877	4.3
99.04591	0.9
101.02443	5.1
108.02133	1.3
109.02949	13.4
113.02427	1.7
115.04051	1.4
116.92883	1.2
121.02943	2.9
122.03739	2.2
123.00883	0.9
123.04514	1.0
124.14423	0.6
125.02445	1.7
131.03462	0.9
133.02942	2.0
134.72354	0.6
134.89519	1.0
135.04520	2.4
136.01663	7.2
137.02406	1.0
145.02974	1.8
146.03719	4.6
147.04459	0.9
149.02443	3.4
149.04617	1.8
149.73439	0.7
150.03221	16.5
151.04008	7.7
153.78525	0.8
159.04475	1.3
160.05287	1.6
161.02461	4.6
161.04590	1.3
161.06085	2.9
163.03897	0.8
163.11256	1.0
164.04774	2.4
165.05566	18.7
169.31119	0.7
171.04485	0.8
172.05281	1.9
173.06073	1.4
174.03197	0.7
175.04022	6.0
176.04784	7.2
177.05540	0.9
178.68874	0.6
179.03473	1.2
179.07141	2.8
180.04248	1.2
187.03999	0.9
189.05562	4.4
190.06322	4.8
191.05534	1.6
191.07114	8.2
195.06615	17.6
233.06651	1.0
239.07211	1.0
250.06396	0.7
251.07088	3.1
261.05466	1.8
262.06238	1.1
266.05722	1.4
266.09470	0.8
267.06573	7.6
278.05759	1.7
279.06628	10.2
281.08154	2.4
282.08859	5.1
293.08206	1.9
294.08984	8.6
296.10501	1.7
297.07681	3.3
297.11206	14.7
309.11346	2.0
310.87091	0.6
312.10065	18.0
315.12323	1.7
316.97333	0.6
323.07730	1.3
327.12354	100.0
328.12668	3.5
342.10898	0.7
345.13406	10.3
357.13403	21.3
363.79694	0.6
375.14490	15.4
405.21280	2.0
511.55811	0.7
537.16541	3.0
537.25458	13.2
548.19000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
57.64879	0.8
58.00601	1.9
59.01381	100.0
61.98820	3.5
69.03443	1.0
71.01383	52.7
72.99298	1.4
73.02937	2.7
83.01387	1.8
85.02965	7.7
87.00858	2.9
89.02447	80.7
91.56701	0.9
95.01378	4.3
96.66521	1.1
99.00921	1.2
101.02449	24.7
108.02154	2.1
109.02937	6.2
113.02451	22.4
119.03509	32.7
120.01266	1.0
123.04518	2.4
125.02443	1.6
131.03520	4.6
134.03816	0.9
136.01648	6.1
137.09724	2.1
141.01717	0.9
143.03508	5.7
145.02982	1.0
146.03716	2.8
147.04527	1.1
149.04546	2.3
151.04062	4.3
161.04555	6.3
161.05943	1.5
165.05571	1.1
171.04430	0.8
172.05330	1.6
174.87666	0.9
175.03999	3.7
176.04831	2.5
179.05635	19.0
188.04785	1.1
189.05566	4.1
190.06355	3.0
191.05573	0.9
191.07100	4.0
223.09653	1.0
249.05391	1.1
250.06303	1.1
251.07111	2.5
266.05756	1.3
267.06561	3.4
279.06671	5.6
281.08118	2.5
282.09103	1.3
294.09006	3.4
296.10565	2.5
297.08170	1.4
297.11264	4.9
312.10028	9.4
327.12381	46.1
328.12747	2.4
344.12057	1.2
345.12228	1.4
357.13446	3.3
398.71979	1.0
537.21942	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71429	1.0
55.01884	1.7
57.03440	1.4
58.00564	1.1
59.01377	71.4
60.01723	1.0
61.97471	0.9
61.98827	6.8
69.22849	6.2
71.01377	45.1
72.99335	1.1
73.02946	4.6
77.55972	0.9
83.01377	2.3
85.02935	9.6
87.00880	4.2
89.02441	55.4
93.03464	3.8
95.01386	3.6
96.95997	8.3
98.22636	2.3
98.50095	0.9
99.00932	1.2
101.02436	22.5
102.28091	1.0
108.02214	1.0
109.02960	2.0
113.02452	18.4
116.30864	1.1
116.92886	1.9
117.92946	0.9
118.92690	1.7
119.03503	21.0
121.02950	6.2
122.03757	13.7
131.03487	2.5
133.02954	2.4
134.03764	1.8
135.04541	1.4
136.01666	2.7
143.03503	3.8
146.03714	6.3
147.04480	1.3
149.02444	24.2
149.04550	3.1
150.03224	100.0
151.03824	2.4
154.57834	1.0
161.02441	3.5
161.04518	7.0
161.05783	1.4
162.03262	6.8
164.04811	9.1
165.05560	99.9
166.05954	1.4
173.04475	1.2
177.05580	5.2
179.03342	1.1
179.03984	1.4
179.05600	17.9
179.07155	7.7
180.04231	6.5
191.05640	1.7
191.07224	1.4
193.05098	3.7
195.06619	67.0
223.53476	1.0
277.23001	1.1
312.10059	2.9
323.09064	1.7
324.10175	2.4
327.12405	20.5
339.12360	14.4
340.12512	1.2
357.13254	1.8
375.14474	3.6
489.17459	3.5
522.13019	1.1
528.00232	1.2
537.12073	1.2
537.20001	9.6
540.88684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17066	0.9
57.03446	1.6
59.01379	33.7
60.01709	1.4
60.99309	18.1
61.98838	2.8
69.03466	1.4
69.23513	5.9
71.01382	12.9
73.02955	5.9
74.99089	1.0
75.00880	6.0
83.01420	1.2
85.02962	4.3
87.00881	2.3
88.98811	100.0
89.02454	17.9
89.03005	1.1
91.83950	0.9
93.03426	1.2
95.25267	1.1
96.96017	24.5
96.96945	1.5
98.21953	2.2
99.00903	4.6
101.02445	15.2
103.01503	2.0
109.02985	6.4
113.02460	3.9
121.02988	1.4
123.04527	1.2
125.02491	1.2
128.03561	1.5
131.03529	3.5
143.03548	1.7
147.06660	1.5
149.04543	18.4
161.04575	2.4
179.03516	1.3
191.05609	4.4
205.05038	1.5
207.06615	1.2
221.06609	3.6
227.03548	2.1
251.07635	3.2
255.02924	2.8
284.03314	3.3
307.10413	1.5
311.09641	2.9
354.98181	1.1
357.13620	1.9
375.10623	1.7
447.09262	7.5
537.21472	23.9
537.32935	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75048	2.4
57.03432	4.5
59.01379	95.7
60.99305	11.5
61.98822	10.0
69.47641	6.7
71.01385	37.7
73.02946	19.1
75.00876	9.2
78.95924	2.9
83.01377	3.2
84.95116	3.4
85.02951	9.9
87.00830	3.5
88.98805	100.0
89.02446	63.7
90.58247	2.7
93.03455	3.9
96.96013	30.4
99.00866	12.4
99.04533	3.4
101.02435	36.6
103.00374	3.4
103.01497	10.9
109.02949	9.0
113.02437	9.7
116.92839	2.9
119.03471	2.3
120.01235	3.4
123.04491	6.3
129.01796	3.4
131.03505	13.4
134.03754	3.0
135.04530	3.9
138.71602	3.2
143.03458	5.0
149.04553	65.8
161.02480	3.1
161.04541	11.5
167.03516	2.6
173.04530	3.6
177.05536	4.6
191.05640	15.7
195.06610	3.6
209.92247	2.5
221.06641	9.4
223.06149	3.4
227.12886	3.3
251.07661	10.7
284.03314	4.7
311.09814	12.3
375.10483	2.8
447.09479	5.7
501.18860	2.5
537.20825	84.2
537.32892	4.5
538.21051	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2339
Annotation	Ixerin N
Peak:m/z	Relative Intensity
55.01878	3.5
57.03440	2.3
59.01381	59.2
61.98814	1.1
65.03967	1.5
67.01902	0.9
67.92100	0.6
71.01382	32.3
72.99298	2.1
73.02946	10.8
74.15924	0.6
75.00863	3.4
78.94741	0.6
83.01387	7.7
85.02955	17.0
87.00865	3.1
89.02448	16.0
91.01892	7.6
93.03454	2.1
93.21578	0.6
95.01397	3.1
97.02961	1.2
99.00876	3.1
101.02448	27.2
107.01405	1.0
108.02193	3.0
109.02953	18.8
111.00880	1.6
111.44176	0.6
113.02449	14.1
119.03521	6.9
121.02957	34.2
122.03767	5.1
123.04524	9.6
124.01603	0.7
125.02466	2.0
129.01927	0.9
129.03447	0.8
131.03540	0.8
135.00888	14.5
135.04524	1.2
135.76826	0.7
136.05345	0.9
137.02443	2.0
137.40080	0.7
141.01822	1.0
143.03497	1.1
147.04536	6.9
149.02452	0.7
149.04607	1.1
149.06032	1.2
150.03261	0.9
151.00333	1.0
152.01157	2.5
153.01942	41.3
154.02306	1.5
159.02982	1.1
161.04553	3.3
161.06099	3.5
163.11285	1.2
164.04848	0.9
165.04150	1.7
165.05566	24.1
166.02727	1.8
167.03505	16.7
179.05637	1.2
179.07109	7.6
181.05063	2.5
187.03987	1.3
194.02287	1.3
195.02992	2.4
207.10258	2.7
209.04549	7.8
255.05188	2.9
269.06784	1.9
293.08676	0.8
297.11288	1.0
312.13721	2.7
327.16034	2.0
329.10309	0.7
329.14105	1.7
330.14731	1.2
342.14685	2.3
343.15213	0.8
345.17148	1.4
357.17084	2.7
360.12335	0.7
360.15805	18.4
361.16333	1.9
367.08319	1.2
369.15628	1.4
375.18149	100.0
376.18573	3.8
387.16696	11.0
429.10284	3.1
460.88351	0.7
463.16183	2.5
477.18048	1.2
497.41849	0.8
505.17303	1.5
537.23022	75.5
538.23273	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39566	0.9
57.26146	1.0
61.98833	2.8
69.78828	1.4
78.95901	19.5
94.53872	1.0
152.99614	3.5
168.04301	2.7
181.12350	1.1
207.10365	1.2
209.11830	1.3
211.13321	1.4
224.06969	6.9
225.11308	1.7
242.07945	1.6
243.12285	1.3
255.23282	100.0
256.23633	2.9
269.43112	0.8
309.20786	1.5
311.22327	2.2
423.42590	1.1
426.60931	0.9
480.30927	85.7
481.31189	3.2
537.33771	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57715	2.3
57.03437	10.7
57.05261	2.6
59.01376	28.0
61.98816	10.5
69.03454	8.0
69.76277	2.5
71.01389	5.2
73.02943	3.1
73.51617	2.6
86.26797	2.6
89.02447	7.5
97.02945	15.0
101.02459	2.7
116.92853	2.7
159.52330	2.7
160.84232	39.4
175.00397	5.3
205.05028	4.5
251.03568	4.7
252.04311	3.0
265.05109	3.0
276.04141	5.4
277.05139	2.8
279.02783	13.7
281.04608	8.8
291.03061	4.4
293.04520	4.7
295.05984	8.0
296.06720	3.4
304.03809	14.6
307.02533	10.4
308.03177	4.8
309.03940	20.5
317.04660	4.4
318.05115	5.2
319.06003	3.6
321.04001	7.3
322.04895	7.8
323.05530	8.0
324.06335	10.0
332.03311	15.2
333.07742	5.0
335.01968	23.7
339.08707	38.6
345.04019	3.0
347.05621	23.5
350.04120	17.6
361.07175	3.7
362.04129	3.0
362.08023	15.3
365.06668	39.1
366.07358	4.5
371.24905	2.9
375.08698	6.1
389.06598	10.3
390.03625	2.7
393.06180	5.1
396.08304	3.0
404.08908	5.0
405.06177	10.4
418.10672	4.8
419.11520	28.4
448.08163	3.1
463.10379	100.0
464.10297	3.3
495.12943	4.5
539.26660	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07259	0.3
53.92334	0.3
58.56868	0.3
59.01374	5.7
61.19569	0.3
61.98817	1.0
68.83681	0.3
68.99785	0.4
69.03454	0.3
71.01385	1.8
73.02927	1.2
80.01581	0.2
83.01376	1.4
84.58212	0.3
85.02929	1.0
87.04511	1.0
89.02425	0.9
98.21884	0.8
99.12306	0.3
101.02439	1.3
109.02911	0.3
113.02441	1.2
120.99870	0.3
121.02911	0.4
125.02343	0.4
135.04495	0.3
137.02470	0.3
143.03517	0.3
161.04514	0.8
174.39613	0.3
189.07047	0.3
207.08110	0.9
211.13376	0.9
215.05000	1.6
216.05624	0.5
217.06560	4.9
219.08098	0.5
220.05467	0.3
223.07765	0.5
232.05339	0.3
233.06085	3.0
234.06761	0.7
235.07637	3.3
243.04517	6.0
243.51500	0.3
244.05299	0.5
245.06067	10.7
246.06810	1.3
247.04115	0.5
247.07407	0.3
248.04793	1.5
251.07111	0.3
261.05554	4.7
262.06348	5.9
263.07111	9.1
273.05527	2.9
274.06363	4.6
275.06622	0.4
276.04230	0.6
277.04565	0.3
289.05121	1.7
290.05856	7.8
291.06616	35.6
292.06937	0.9
299.20151	0.5
306.05203	0.3
317.21292	0.4
334.04810	0.4
335.05588	100.0
336.05914	2.9
341.10309	2.2
381.09772	0.7
479.09976	0.6
539.11633	2.5
539.29657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22004	1.9
59.01379	33.6
71.01382	25.3
73.02933	2.7
85.02966	4.4
85.72794	2.0
87.00867	5.9
89.02438	40.3
90.87054	1.7
92.92786	1.9
101.02437	21.3
103.35168	1.8
103.35840	2.3
105.08159	1.9
113.02438	14.7
119.03476	9.8
125.02406	2.5
143.03490	5.2
161.04556	7.7
179.05602	35.7
199.80797	1.7
204.98634	1.7
221.06625	17.2
233.06578	1.8
261.52869	1.6
281.08682	1.8
317.05417	3.0
341.10828	7.6
377.08566	9.5
383.11850	15.6
503.16156	100.0
504.15845	2.3
539.13806	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83534	2.5
57.00339	2.4
57.03422	4.0
59.01374	42.4
61.98832	4.0
65.00320	3.4
71.01385	4.2
72.96046	2.3
78.39349	2.3
78.95898	4.6
81.03443	11.0
83.01387	9.1
93.03455	2.5
95.05026	5.3
101.02423	3.1
105.03432	6.5
109.02930	3.6
117.03483	2.9
119.05014	10.1
121.02934	6.7
123.04518	19.8
125.02448	15.8
133.02975	3.6
135.04521	7.7
137.02431	9.3
147.04507	24.0
149.02438	27.4
152.99554	3.1
161.02420	13.2
161.06056	3.7
163.00342	6.8
163.04016	16.1
164.01134	7.0
174.03194	2.5
175.04065	2.7
177.01891	8.9
177.05519	5.4
179.03517	39.3
181.05022	19.1
187.04083	3.7
189.01926	4.1
189.05595	4.6
190.02701	7.7
191.03487	100.0
203.03465	3.4
205.05063	5.6
206.02292	2.8
211.13428	2.8
215.03407	3.0
215.10480	6.6
217.01537	3.6
217.12039	10.2
221.04469	12.5
233.04567	17.6
247.09450	2.3
261.11035	16.4
275.05765	4.6
275.09036	3.7
287.09152	9.0
293.06671	95.1
294.06967	2.7
295.08725	14.0
305.10190	14.2
311.07745	4.9
317.10315	44.3
329.06409	3.7
335.07782	3.9
347.11267	5.7
353.08731	16.5
359.11154	2.8
377.08649	3.9
413.10846	7.4
419.13330	23.4
469.87939	2.5
471.20746	4.2
479.15790	21.5
513.20825	3.8
539.19269	52.1
539.26758	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03437	1.2
59.01115	1.3
59.01383	18.7
69.03448	1.0
69.46493	3.3
71.01379	13.7
73.02956	6.0
83.01388	3.5
85.02949	8.6
87.00829	1.2
89.02432	5.4
91.19194	0.9
93.03452	1.8
95.01367	2.2
99.00853	1.6
101.02451	14.8
111.00879	0.9
113.02425	6.4
113.89684	0.9
121.02971	4.9
122.03768	4.4
126.88866	0.8
132.02112	1.4
133.02945	5.8
134.03722	1.5
136.01686	1.0
149.02440	28.2
149.05962	1.0
150.03226	31.5
164.04796	5.5
165.05562	29.2
166.06323	4.1
177.05536	1.0
180.04288	1.6
181.08720	5.7
184.74727	1.0
195.06657	11.4
312.47913	0.9
314.11575	5.5
315.12457	2.0
329.13913	12.9
343.13986	10.9
356.13071	0.9
357.15851	0.9
491.19214	100.0
492.19495	5.4
517.50092	1.0
539.21393	26.5
539.28436	1.1
540.21594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95090	0.7
55.01865	1.0
57.03454	1.5
58.00578	1.2
59.01379	42.6
61.98829	1.1
66.63849	0.7
69.39229	2.9
71.01381	25.6
72.99308	1.5
73.02948	5.2
74.81824	0.7
75.00848	1.1
75.06422	0.8
83.01382	3.0
85.02952	11.7
87.00866	2.3
89.02444	28.9
92.92030	0.9
93.03468	2.2
95.01389	2.6
99.00863	1.7
101.02441	18.2
108.02142	1.1
113.02451	11.9
119.03492	10.4
120.01212	1.7
121.02954	4.7
122.03737	15.4
123.04546	1.6
125.02475	1.2
131.03464	1.3
133.02927	4.9
134.03726	1.2
135.04567	1.0
136.01535	0.8
143.03468	2.6
143.07149	1.2
145.02927	1.1
149.02440	27.1
149.04472	1.3
149.05983	1.5
150.03223	100.0
151.03604	1.1
161.04620	2.2
162.03233	3.3
164.04779	4.9
165.05563	91.1
166.06331	6.3
167.07115	1.0
167.10825	1.0
171.10263	2.5
177.05615	1.5
179.05649	5.7
180.04263	7.0
181.08627	4.3
185.09372	0.9
185.11807	2.2
195.06616	46.8
196.07104	1.0
213.11293	3.1
253.09204	1.5
295.10440	0.8
310.39441	0.8
314.11566	3.4
329.13904	9.9
343.13974	17.0
357.53793	0.8
362.13852	1.2
377.15814	2.4
479.21182	2.0
491.19217	94.7
492.19592	5.9
539.21436	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98838	2.4
62.03302	1.4
71.01378	16.7
72.99281	2.4
73.02947	9.1
83.01392	2.5
85.02953	5.5
87.00890	2.2
88.98798	2.0
89.02434	8.4
99.00872	2.9
99.31708	1.6
101.02449	11.9
108.02142	2.8
113.02476	8.7
119.03548	1.8
124.01675	2.6
135.04491	1.5
139.03998	2.0
161.04568	4.2
161.09650	1.8
163.07664	1.8
195.22714	1.6
335.05667	2.8
341.10083	2.0
399.23959	11.7
417.24963	11.3
431.10852	4.3
443.53394	1.7
459.26288	7.9
462.73486	2.0
509.21494	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82586	2.4
61.98811	4.2
64.96580	2.6
69.57072	12.1
78.95901	13.8
83.01382	10.4
92.00108	3.2
94.97179	2.9
98.21915	6.0
109.32479	2.6
115.92054	5.8
126.01972	6.8
145.45636	3.2
152.99571	10.0
157.05011	7.9
200.05640	10.1
218.06627	4.0
245.04247	8.7
279.20209	5.8
279.23273	100.0
280.23529	3.2
437.28964	7.1
473.61154	3.1
480.29590	53.7
481.25775	18.3
482.25699	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
61.98829	100.0
65.46062	0.7
69.71917	2.8
69.72262	0.9
71.01373	2.0
73.02954	2.0
75.00870	2.7
77.75986	0.9
77.78694	0.9
85.02940	1.9
99.00842	1.0
101.02431	2.1
104.52469	0.8
121.02966	1.6
122.03685	1.0
125.02374	0.9
132.07797	0.8
145.02922	2.8
146.03743	1.1
147.06683	1.5
151.00372	1.3
154.05814	0.9
161.02438	1.3
161.06001	1.2
165.05463	1.6
166.05881	1.1
177.05705	0.9
183.41225	0.8
199.04027	1.0
215.03517	1.5
227.03362	1.7
242.02225	1.6
243.02960	17.4
257.04550	6.1
270.01651	3.4
271.02466	18.2
285.04074	11.2
286.04785	4.0
295.27274	0.9
299.01981	5.6
300.02597	2.6
314.04306	40.2
315.05078	7.7
361.16534	2.3
362.17041	1.2
477.10358	87.3
478.10510	3.0
511.72324	1.0
522.22113	2.8
539.34290	1.2
540.22449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03474	1.0
53.18750	0.9
59.01372	4.2
61.98828	92.0
68.36911	1.0
69.26546	5.1
71.01381	1.9
85.02946	2.0
85.52528	1.1
90.60403	1.1
92.05729	1.2
107.03771	6.6
110.02484	1.2
112.04001	1.7
116.05064	5.5
121.05318	1.2
122.06116	36.6
123.03261	5.5
124.04035	3.0
132.04559	4.2
134.06117	2.6
138.05612	12.1
139.02641	1.1
145.82143	0.9
149.04614	1.2
151.00356	3.1
152.07167	83.1
153.07520	1.5
158.02473	2.7
160.04030	22.0
164.07141	4.4
166.05080	1.2
182.04503	1.3
184.06149	3.0
190.05072	11.1
192.06650	60.6
199.04012	1.3
215.03580	0.9
227.03462	2.0
229.01857	1.0
242.02208	4.5
243.02966	23.9
244.03342	1.5
255.02853	1.2
255.11378	2.5
257.04550	7.2
270.01682	5.3
271.02457	26.1
281.09311	1.6
285.04013	15.5
286.04761	4.7
287.54202	1.0
293.09256	1.5
295.32404	1.0
297.12546	1.3
299.01944	9.0
300.02716	3.1
314.04285	49.2
315.05130	9.6
325.08130	0.9
325.11905	19.6
326.12250	1.5
329.31598	1.1
355.13031	9.8
357.14502	54.5
446.16830	2.2
464.18301	12.4
465.16849	2.8
468.17542	1.8
477.10349	100.0
477.77728	1.2
478.10666	3.9
490.16107	3.0
496.20825	3.0
508.17212	24.6
522.18933	3.0
539.34216	1.9
540.19659	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.98819	3.3
68.28614	0.8
71.01374	3.4
73.02946	1.0
75.00896	1.1
78.81061	1.0
84.04567	0.8
85.02936	1.5
94.06619	1.4
96.96043	1.4
101.02448	1.1
107.03776	8.6
112.04040	3.4
113.02409	1.7
116.05080	6.8
120.04536	1.2
121.02979	2.1
121.17651	0.8
122.06116	44.8
123.03254	5.6
124.04042	2.6
132.04559	4.2
134.03789	1.2
134.06105	2.7
135.04443	1.1
138.05608	17.1
139.02661	1.0
140.07220	1.0
152.07172	100.0
154.54884	0.9
158.02489	2.9
160.02721	1.5
160.04050	27.3
164.07109	4.2
172.03961	1.1
184.06200	2.3
190.05089	12.5
192.06664	64.2
204.06631	2.0
209.08147	5.1
210.08516	3.7
212.10643	1.1
255.11278	2.0
256.09930	1.1
266.06906	1.0
267.11322	1.5
271.07364	1.0
281.09290	3.1
293.09412	1.3
297.12152	1.6
299.10300	1.0
325.11938	32.6
355.12881	12.5
357.14548	55.5
358.14908	2.0
368.22330	1.0
420.19400	1.9
446.17480	4.6
452.17316	1.1
464.18265	16.2
465.17230	2.5
468.17990	2.6
478.19720	2.4
490.16193	2.6
496.20013	1.7
504.18027	2.7
508.17221	16.7
522.18390	4.3
539.34180	1.3
540.19794	9.3
540.34729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.98819	3.3
68.28614	0.8
71.01374	3.4
73.02946	1.0
75.00896	1.1
78.81061	1.0
84.04567	0.8
85.02936	1.5
94.06619	1.4
96.96043	1.4
101.02448	1.1
107.03776	8.6
112.04040	3.4
113.02409	1.7
116.05080	6.8
120.04536	1.2
121.02979	2.1
121.17651	0.8
122.06116	44.8
123.03254	5.6
124.04042	2.6
132.04559	4.2
134.03789	1.2
134.06105	2.7
135.04443	1.1
138.05608	17.1
139.02661	1.0
140.07220	1.0
152.07172	100.0
154.54884	0.9
158.02489	2.9
160.02721	1.5
160.04050	27.3
164.07109	4.2
172.03961	1.1
184.06200	2.3
190.05089	12.5
192.06664	64.2
204.06631	2.0
209.08147	5.1
210.08516	3.7
212.10643	1.1
255.11278	2.0
256.09930	1.1
266.06906	1.0
267.11322	1.5
271.07364	1.0
281.09290	3.1
293.09412	1.3
297.12152	1.6
299.10300	1.0
325.11938	32.6
355.12881	12.5
357.14548	55.5
358.14908	2.0
368.22330	1.0
420.19400	1.9
446.17480	4.6
452.17316	1.1
464.18265	16.2
465.17230	2.5
468.17990	2.6
478.19720	2.4
490.16193	2.6
496.20013	1.7
504.18027	2.7
508.17221	16.7
522.18390	4.3
539.34180	1.3
540.19794	9.3
540.34729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03442	1.0
58.00611	0.4
58.78015	0.3
59.01378	100.0
60.01746	0.4
61.98829	1.7
62.85906	0.4
66.55710	0.4
69.03467	2.1
71.01378	31.2
71.44718	0.5
72.99308	0.9
73.02943	90.7
74.03290	0.8
75.00877	0.8
81.03452	0.9
83.01385	19.6
85.02944	5.8
87.00868	0.8
89.02443	8.3
95.01389	2.0
95.05023	0.4
97.02939	1.8
99.00896	0.9
101.02439	58.4
107.05032	0.8
113.02448	16.6
113.03242	0.8
118.21042	0.4
119.03510	5.0
123.04512	2.6
125.02439	2.2
129.06714	0.4
131.03523	4.2
133.02950	3.0
143.03474	6.8
149.04546	7.3
151.04007	4.3
155.03506	2.4
160.84239	1.1
161.04546	13.5
161.05838	0.8
175.04012	0.6
203.05605	2.0
221.06686	2.3
225.68181	0.5
249.14806	0.5
263.06857	0.5
279.06552	0.5
293.08084	0.6
295.08347	1.1
305.17633	0.5
307.06229	0.8
308.06726	0.5
321.07556	1.9
335.05832	1.1
335.60486	0.4
337.07175	11.2
379.08432	2.3
391.08228	0.8
416.48965	0.4
417.48334	0.4
481.11557	1.2
499.12704	2.0
541.13501	35.8
542.13702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.5
59.01379	5.5
59.09578	0.3
61.98822	0.8
66.59353	0.3
71.01376	1.8
73.02949	0.9
85.02944	1.9
87.00872	0.4
89.02446	1.1
100.44127	0.3
101.02458	1.9
101.04016	0.3
101.98745	0.3
107.76011	0.3
113.02441	0.7
116.92892	0.5
119.03523	0.4
125.02477	0.9
129.03479	0.7
130.06602	0.4
133.02977	0.5
135.04485	0.3
145.02946	5.7
147.04526	2.9
149.02428	0.9
150.01276	0.3
150.03128	1.5
151.00336	0.3
151.03485	0.5
152.01283	0.4
157.02934	1.1
158.03711	1.1
159.04515	2.5
161.04527	0.4
164.04803	0.5
165.05563	1.4
166.05927	0.6
171.04520	1.4
173.02434	28.0
174.03212	100.0
175.03993	41.6
176.04289	0.8
185.06096	0.8
186.03250	1.8
187.04002	12.0
191.01952	0.4
199.04044	0.7
201.05525	0.7
209.03021	0.5
209.11821	0.8
211.04022	0.7
217.05086	0.6
225.00748	0.3
229.05072	1.6
241.05070	0.9
280.79395	0.3
286.80304	0.3
319.08334	0.8
337.09274	40.1
338.09637	0.9
344.14319	0.4
345.14246	0.4
379.10303	19.9
380.10687	0.5
383.11807	0.5
388.05945	1.4
461.08960	0.7
492.19635	1.0
493.19824	6.6
541.15521	26.5
541.21564	1.5
542.15680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
61.98844	0.9
71.01377	1.7
71.10081	0.5
73.02930	1.1
80.99935	0.4
81.03477	0.5
83.01363	0.6
85.02938	1.1
89.02473	1.1
96.96017	1.3
101.02448	1.8
101.03951	0.8
113.02444	0.5
122.01357	0.5
129.01588	0.4
129.03471	0.7
145.02957	4.7
147.04485	3.2
151.00366	0.8
154.28334	0.4
157.02911	0.9
158.03772	1.1
159.04514	1.7
161.04517	0.5
171.04556	0.8
173.02432	29.3
174.03214	100.0
175.04002	23.0
185.06091	0.8
186.03229	1.1
187.04021	8.2
187.05620	0.3
201.05637	0.5
217.04918	0.7
218.24910	0.5
229.05045	0.8
337.09286	19.3
379.10324	39.4
380.10724	1.5
437.16507	1.3
497.20096	0.5
530.03107	0.5
541.15631	28.1
542.16168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65275	0.5
54.08575	0.7
59.01358	0.7
61.19854	0.6
61.98825	0.7
63.96220	1.3
64.26727	0.6
69.03444	0.5
71.01388	6.0
71.27710	0.9
73.02934	1.6
75.86126	0.6
78.95905	2.3
78.98583	4.2
79.95734	6.9
80.96514	55.1
85.02928	2.0
87.00873	1.8
87.58344	0.7
94.98082	13.0
96.96006	2.6
97.02915	1.4
101.02429	2.2
105.99083	0.5
106.98080	2.9
108.49092	0.6
122.97582	2.4
125.02431	2.7
127.03980	0.8
134.97568	3.9
136.99106	0.7
148.99152	5.0
152.98543	3.8
164.98616	10.8
166.40173	0.6
167.01128	0.6
172.43596	0.5
206.99670	2.3
225.00735	17.2
228.02100	0.6
241.21735	1.9
255.23204	2.7
277.21826	0.8
299.04385	3.6
436.15649	0.6
480.30991	1.6
481.25662	2.3
541.26886	100.0
542.27332	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91273	0.4
59.01384	0.7
60.99302	14.7
66.49518	0.4
70.77483	0.7
80.96537	0.8
81.96243	0.4
85.02984	0.7
87.00864	0.9
88.00376	0.5
88.98801	100.0
89.02438	13.6
93.83524	0.4
96.95987	0.4
97.29492	0.4
102.78405	0.3
127.78294	0.4
155.78064	0.4
207.10225	0.4
541.16132	2.2
545.61841	0.5
551.44946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66899	0.9
61.98819	1.4
62.68739	0.7
68.99811	2.1
69.39583	3.3
87.66164	0.6
89.53592	0.7
96.96012	3.8
98.95619	1.6
102.80106	0.7
115.92135	0.7
116.11670	0.7
149.02403	0.7
151.03998	1.0
161.02481	5.8
162.83945	1.4
164.04726	0.8
176.04782	4.2
177.01912	1.0
179.03487	7.1
179.07147	3.0
187.05580	0.8
191.07164	2.4
193.06578	0.8
194.05853	10.2
204.05721	1.9
205.06570	2.9
206.07364	1.5
207.08141	1.4
209.08188	33.0
215.05005	1.9
217.06581	5.8
220.05264	1.7
221.06071	1.5
231.04355	0.8
232.05283	4.8
233.06058	20.7
234.06815	2.3
235.07631	2.9
243.04573	5.3
245.06049	11.5
246.06729	4.2
247.04131	1.1
250.06424	1.4
260.04697	1.5
261.05557	19.3
262.06293	13.8
263.07068	7.8
265.05197	0.9
273.05649	2.8
274.06265	4.4
275.06808	0.8
277.05194	1.4
289.04990	6.2
290.05844	16.9
291.06650	20.6
292.07056	0.9
293.04715	1.4
304.55502	0.7
305.01056	1.7
305.04550	28.2
306.05325	1.7
315.94919	0.7
333.04120	3.8
334.04819	100.0
335.05566	41.2
336.05988	1.9
368.95972	0.7
376.17850	0.7
412.58972	0.8
513.12091	2.2
525.11786	5.3
543.12573	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63540	1.2
53.09140	1.2
56.22380	1.0
61.98827	3.4
62.60165	1.2
68.99824	1.6
84.36665	1.1
118.01802	1.3
149.02391	1.3
161.02440	4.4
162.83923	8.2
164.04852	1.5
164.83601	3.8
176.04793	3.7
179.03484	6.3
179.07077	2.2
181.69797	1.1
191.07135	2.7
194.05811	10.7
204.05698	2.1
205.06680	1.5
207.08286	1.5
209.08176	37.0
217.06541	4.3
232.05180	3.7
233.06090	18.4
234.06618	2.1
235.07600	1.8
243.04520	6.2
245.06018	11.3
246.06761	3.8
248.04562	1.5
250.06120	1.7
259.04401	1.4
260.04724	1.4
261.05606	15.6
262.06335	13.5
263.07089	7.8
273.05646	2.7
274.06284	3.3
277.05020	1.5
289.05005	7.7
290.05817	16.5
291.06613	26.1
293.04517	2.2
301.16199	1.2
305.04550	30.6
306.05133	1.7
333.03888	3.2
334.04813	100.0
335.05530	45.9
335.09625	2.0
344.79089	1.2
461.23181	1.7
525.11835	5.5
543.12646	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88420	0.4
56.28191	0.3
59.01381	13.3
61.98837	2.4
68.49055	0.3
69.03465	0.6
69.48954	0.6
69.49326	0.5
71.01377	2.7
72.99315	0.8
73.02940	1.0
74.96822	0.3
82.95388	0.4
83.01383	0.6
83.29506	0.3
85.02948	1.0
87.00877	0.5
89.02442	2.3
93.03464	0.5
97.02954	0.3
97.49882	0.4
99.00906	0.5
99.92563	0.5
101.02447	2.3
109.02943	0.5
111.00938	0.4
111.04681	0.3
113.02457	2.0
116.92832	0.4
119.03515	0.8
128.03508	0.3
137.02489	0.8
143.03526	0.5
159.04562	0.8
160.05247	1.2
161.04550	0.5
163.39023	0.3
173.04541	0.4
179.05585	0.9
201.31691	0.3
223.07599	0.4
230.07265	0.5
231.08128	0.4
233.06136	0.7
234.06683	0.4
235.04149	0.4
236.04878	0.5
246.06883	0.5
247.07672	2.4
249.05600	2.7
250.06348	2.9
251.07118	1.5
261.05481	0.9
262.06320	1.2
263.03574	0.6
263.07089	1.0
264.04303	2.5
275.07257	0.5
276.07880	1.1
277.05109	2.9
277.08655	0.9
278.05862	6.4
279.06613	4.2
280.03763	0.5
291.03088	0.7
291.06720	0.9
292.03821	2.6
292.07425	8.3
293.08215	17.5
294.08960	8.1
295.09628	0.5
304.07346	0.4
306.08759	0.4
307.02481	0.6
307.06186	3.2
307.09766	15.7
308.03323	2.8
308.10028	0.6
309.11398	1.9
320.03308	0.7
321.07758	0.8
322.05081	0.5
322.08395	2.2
333.04227	0.5
336.02737	5.0
337.07297	0.5
337.10825	2.6
339.08813	2.5
351.05090	14.2
352.05334	0.5
365.06689	0.8
366.07455	19.2
367.07996	0.7
381.09796	100.0
382.10037	4.7
391.24344	0.4
428.78122	0.4
471.65338	0.4
483.29706	0.7
501.30429	0.8
543.15460	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17172	0.4
55.01878	4.4
57.03445	3.2
58.00600	1.2
59.01378	100.0
61.98827	1.9
69.03454	0.8
69.89513	1.3
71.01379	59.7
72.01707	0.7
72.99308	2.4
73.02941	13.4
75.00864	0.7
83.01386	6.7
85.02950	21.2
86.00097	0.6
87.00878	3.2
89.02444	46.8
90.02773	0.7
95.01385	4.9
97.02944	1.4
98.22589	0.6
99.00888	4.3
101.02444	45.5
102.02775	0.5
102.05650	0.7
111.00875	0.7
113.02446	28.5
119.03497	22.6
124.01670	0.7
125.02449	1.3
128.03497	0.8
129.01936	1.0
131.03510	1.6
143.03503	4.2
149.04544	1.6
159.02983	2.3
161.04561	10.7
179.05634	3.7
228.17439	0.6
265.65179	0.5
293.21198	0.5
299.97974	0.5
307.06238	1.1
321.07571	1.0
322.08356	1.3
327.20059	0.6
337.07346	0.5
337.10706	2.8
399.23914	0.9
465.44031	0.5
483.29691	1.5
501.30569	0.8
543.15088	15.3
543.27942	10.7
544.15350	0.6
544.28540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21816	0.2
52.83253	0.2
59.01380	4.8
61.75119	0.2
61.98830	0.9
65.01091	0.2
70.74130	0.2
70.76114	0.3
70.76458	0.2
71.01382	2.0
71.04992	0.2
72.23780	0.2
73.02950	0.5
79.28274	0.2
83.01378	0.2
85.02944	1.2
89.02447	1.2
95.01376	0.2
99.00911	0.2
101.02460	1.2
103.04053	0.2
111.00915	0.2
113.02445	1.6
119.03531	0.5
121.02923	0.3
133.02946	0.3
143.05022	1.4
161.04565	0.5
177.87962	0.2
179.05637	0.2
191.14148	0.2
196.05281	0.3
210.14526	0.2
221.06058	0.3
223.07689	0.3
230.07430	0.4
231.08124	0.3
232.05251	0.2
233.06142	0.8
234.06801	0.2
236.04837	0.7
237.05685	0.3
247.07660	1.9
248.04784	0.4
249.05573	2.5
250.06361	2.9
251.07095	0.7
252.07927	0.3
259.07562	0.2
261.05560	1.0
262.06329	0.9
263.03485	0.8
263.07092	0.7
264.04276	3.1
265.08670	0.3
266.09451	0.2
267.10150	0.2
274.06271	0.2
275.03632	0.2
275.07144	0.7
276.04575	0.3
276.07932	0.9
277.05035	2.5
277.08554	0.6
278.05820	5.6
279.06592	3.2
280.03775	0.6
289.05042	0.5
290.02515	0.3
290.05844	0.9
291.03033	1.7
291.06592	0.9
291.09875	0.3
292.03775	9.1
292.07410	7.3
292.10699	0.4
292.82956	0.2
293.08191	14.9
294.08948	6.2
295.09305	0.3
304.07513	0.3
305.04767	0.4
305.08246	0.8
306.05377	3.1
306.08682	0.3
307.02618	0.5
307.06113	8.2
307.09756	12.1
308.03311	1.9
308.10272	0.6
309.04114	0.2
309.11285	1.6
318.01688	0.4
319.02435	0.2
320.03384	0.4
321.04132	0.2
321.07672	4.0
322.08450	1.9
333.03903	0.5
336.02710	3.9
337.10736	2.2
339.08807	1.2
351.05090	11.1
352.05420	0.5
354.07541	0.4
366.07422	22.7
367.07693	1.1
381.09775	100.0
382.10120	4.0
483.29587	0.5
543.15137	3.5
543.27686	1.2
544.15912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98828	100.0
69.07373	0.9
69.07788	0.3
71.01380	0.2
80.96531	0.3
107.03438	0.1
109.75642	0.1
121.91498	0.2
177.98413	0.1
256.73999	0.2
403.80209	0.2
544.18024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03445	4.8
57.17839	1.6
59.01379	100.0
61.98832	18.7
62.23555	1.3
66.69161	1.5
67.01900	2.3
67.86761	1.5
68.99809	1.6
69.03464	2.4
69.95432	3.4
69.95772	2.9
71.01383	61.3
72.99314	2.6
73.02943	16.4
79.95695	1.7
80.91697	2.0
83.01389	4.7
84.95137	1.9
85.02956	35.8
87.00857	9.9
89.02443	53.0
89.58339	1.5
93.03460	12.4
95.01367	2.5
95.05031	2.1
96.95989	2.4
97.02973	3.4
99.00880	21.5
99.04556	1.7
101.02448	39.8
107.05001	1.9
108.02187	2.2
111.00878	7.1
113.02438	17.2
116.92854	2.0
119.03505	5.7
121.02913	2.2
123.04495	1.6
125.02450	3.2
131.03545	7.8
131.05057	1.6
133.02969	12.3
134.03741	3.4
135.04523	13.2
137.02412	1.8
143.03523	3.7
147.02985	1.8
147.04530	2.9
149.04564	32.0
159.02927	2.3
161.02417	4.7
161.04572	9.4
161.09738	3.4
161.13373	5.3
173.00888	2.7
173.02316	1.7
173.04535	19.5
175.04059	8.7
177.01923	4.3
178.02754	2.0
179.03494	4.2
179.05621	1.8
187.11247	7.5
189.05548	1.9
189.09203	2.9
191.05608	43.1
191.07320	2.8
193.05042	23.1
203.03467	5.3
204.04253	25.1
205.12338	9.3
209.02861	1.9
221.06578	1.9
223.13393	7.2
225.00757	2.0
249.11322	1.7
251.07652	2.2
253.09265	8.8
267.12338	10.1
293.08603	1.7
309.13553	1.9
321.07416	2.3
323.09171	2.3
323.22266	2.1
334.11725	1.5
339.08710	11.5
339.14355	2.3
351.07104	4.5
353.08929	1.9
369.15399	9.6
371.07742	2.1
429.17645	12.7
441.21277	3.6
471.26361	2.0
545.12854	8.0
545.22449	10.5
545.33612	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90221	0.4
55.01877	1.3
56.99799	0.4
57.03447	1.9
58.00588	1.8
59.01377	100.0
61.98830	2.1
65.89330	0.5
71.01380	52.5
71.27377	0.6
71.27718	0.5
72.99301	2.3
73.02932	3.5
75.00900	0.5
78.91881	7.7
81.58319	0.4
83.01383	2.6
84.02148	0.5
85.02945	11.9
87.00872	2.3
89.02441	57.9
93.03480	1.1
95.01367	2.9
96.95995	3.9
97.03026	0.6
99.00896	1.1
101.02441	25.6
105.74695	0.4
109.06635	0.5
113.02451	20.0
116.92886	0.9
119.03496	23.5
129.01974	0.9
131.03493	2.4
133.02997	1.5
135.68427	0.4
143.03497	3.1
143.99977	0.5
149.04623	1.7
159.02959	1.1
161.02522	1.0
161.04558	5.1
166.70331	0.5
171.04489	0.5
173.04649	0.9
177.01923	1.3
179.05638	2.9
191.05594	2.7
202.27000	0.4
219.06528	0.9
221.06267	0.6
222.06889	0.8
235.07616	0.8
243.06702	2.0
249.05701	0.8
250.06345	1.1
261.07809	0.6
263.07166	3.2
264.07867	0.9
265.08743	0.9
273.07800	1.4
278.06104	0.6
285.07742	1.7
291.06549	2.5
292.07391	7.6
293.08096	2.4
321.07663	32.1
322.08090	1.0
345.09708	0.7
365.11475	0.6
371.15488	0.6
456.53839	0.5
465.14136	3.8
465.26785	0.5
545.21991	0.6
545.29773	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27541	2.3
60.73398	2.1
61.09043	1.8
61.98823	2.9
62.85178	1.9
64.26340	1.8
67.02712	1.9
67.15092	2.6
68.98168	1.9
70.22955	1.9
71.01384	2.5
74.96203	2.1
77.17262	2.2
78.95905	100.0
93.35614	2.0
96.96028	5.7
98.95564	3.5
99.92583	29.2
100.93355	12.0
110.98534	20.1
115.92070	16.8
116.92836	18.3
147.92256	2.1
150.98056	2.9
163.89601	4.2
164.90475	20.5
164.99562	5.2
167.01151	8.0
178.88426	17.5
179.89220	35.0
180.89958	19.0
181.90778	9.6
193.90768	50.0
194.91531	25.9
195.92206	4.4
196.89487	65.8
210.91193	3.5
248.92664	4.2
249.93257	2.9
250.94115	8.1
266.93475	2.8
267.94513	2.9
277.21817	5.7
399.70901	2.1
433.16895	4.5
458.08295	3.0
527.15155	25.4
541.12994	9.8
545.16107	69.9
546.16449	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17631	1.0
69.16272	5.1
71.01369	1.2
78.95897	100.0
84.93867	1.7
88.41557	0.9
96.96002	1.9
98.95513	2.2
99.91969	1.9
99.92583	26.0
100.93366	11.1
110.98531	15.7
115.92073	18.6
116.92850	18.1
148.91019	1.2
150.97995	1.8
151.01622	3.3
152.99498	1.0
155.95158	2.9
163.89682	4.8
164.90504	17.2
164.99545	2.7
167.01137	7.4
176.23605	0.9
178.88432	18.1
178.91928	1.0
179.89220	41.0
180.90013	18.8
181.90767	8.8
192.93596	0.9
193.90767	48.6
194.87804	1.1
194.91565	26.1
195.92303	4.0
196.87642	2.1
196.89470	44.3
197.89316	0.9
218.91400	1.4
219.92398	1.2
235.91785	3.2
236.92525	3.1
248.92607	3.7
249.93282	5.1
250.94217	6.8
251.94919	0.9
266.93661	3.3
267.17719	1.1
277.21646	3.7
377.14224	1.6
433.16696	3.7
455.60300	1.2
458.07999	2.4
497.14243	1.3
499.60995	1.1
509.13867	2.2
527.15002	25.2
527.22705	1.9
528.15131	1.6
541.13220	8.4
545.16101	69.4
546.16589	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88623	0.3
55.01883	2.4
57.03433	0.9
58.00578	0.4
59.01377	41.6
61.98835	2.2
65.05770	0.3
69.03451	2.6
69.12045	1.8
71.01380	17.4
72.99297	0.9
73.02949	3.7
75.00873	0.7
81.03458	1.7
83.01383	54.7
84.01702	0.6
85.02953	3.6
87.00847	0.8
89.02439	18.9
93.03458	5.1
95.01382	0.5
96.95969	0.4
97.02964	2.6
98.21873	0.8
99.00869	3.8
99.04512	2.2
101.02437	7.1
107.05025	4.6
108.02229	0.4
109.02951	2.6
111.00856	0.5
113.02437	3.1
115.04025	1.5
119.03492	1.1
119.05013	0.9
121.02953	27.0
122.03754	0.5
123.04535	3.1
125.02451	9.9
131.03494	2.1
133.02954	3.1
135.04533	3.3
135.05527	0.4
143.03468	0.9
147.04506	0.9
148.90883	0.3
149.04556	3.5
151.03999	1.1
160.05408	0.3
161.04555	1.2
161.37938	0.3
163.03865	0.3
167.16766	0.3
173.04498	0.7
173.06004	0.3
179.03461	0.6
191.05598	2.9
193.05025	1.6
204.04230	0.4
219.06616	1.6
233.06628	7.2
251.16508	12.5
255.14149	0.3
258.56131	0.3
288.58313	0.4
291.10773	0.3
293.08768	14.0
297.11356	2.0
339.08679	0.6
340.09616	0.4
341.10266	100.0
342.10599	4.3
383.11069	0.7
399.23743	0.9
459.26462	0.8
465.23361	1.3
485.14163	1.0
485.31085	0.4
503.15952	0.7
545.16864	1.3
545.26733	4.2
562.90900	0.4
567.97699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98811	0.4
55.01867	0.7
55.37125	0.4
57.03432	1.3
58.00602	0.6
59.01378	15.1
61.98822	0.8
67.01892	0.6
69.03445	1.7
69.79701	0.8
69.80055	1.1
71.01382	8.6
73.02934	1.8
81.03448	0.5
83.01379	1.1
83.05000	0.8
85.02965	2.9
87.00883	1.4
89.02444	8.4
93.03448	0.9
95.01386	1.0
97.02947	6.7
97.06599	1.1
101.02432	8.8
103.37257	0.4
109.06585	0.6
111.00841	0.8
111.08160	5.2
113.02459	4.8
116.96828	0.4
119.03510	2.8
119.08685	0.4
125.09758	2.2
135.08153	0.6
137.09706	1.8
141.09050	0.5
143.03522	0.9
151.11363	0.5
161.04546	3.8
163.11308	1.8
165.09164	0.6
165.12843	4.3
169.12325	1.5
171.10243	4.7
173.04544	2.0
179.05635	1.4
179.14487	1.1
181.12355	1.3
183.13976	1.4
185.11855	0.7
191.05597	2.1
192.40253	0.5
193.12321	1.1
195.13892	0.6
197.11826	25.0
199.13382	1.8
202.47792	0.5
207.13965	0.9
209.11787	2.4
211.13403	4.6
217.12135	1.0
223.13274	0.9
225.11429	0.6
225.14931	7.0
225.16988	0.6
227.12920	4.0
235.08188	0.8
247.20604	3.6
253.09274	41.9
254.09622	1.0
261.11026	3.1
263.20120	1.6
265.18076	1.3
273.18515	1.7
291.19653	41.4
292.19894	1.3
309.20700	100.0
310.21063	3.6
434.71179	0.5
437.65723	0.5
545.20941	1.0
545.30023	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3343
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
59.01376	0.8
66.03459	0.3
69.20916	1.7
70.31036	0.3
72.00889	1.0
74.02476	2.5
79.24701	0.3
82.06625	1.7
84.08195	0.6
84.25436	0.3
89.02469	0.4
93.03457	3.4
96.95992	0.3
101.02443	0.4
106.04243	1.5
107.05036	1.7
110.06069	0.6
111.02037	1.7
112.02763	0.5
112.07685	1.5
119.05022	7.8
121.02917	0.3
126.09220	0.5
127.08761	1.2
129.10341	15.4
133.05321	0.4
134.06120	9.4
136.07683	3.7
139.08755	0.9
140.07242	0.4
141.10321	0.5
143.11926	1.6
153.06694	1.0
153.07945	0.7
153.10335	0.8
154.07452	0.7
155.08264	14.3
155.11887	1.2
157.09816	0.4
157.13449	8.4
163.04018	4.8
164.07179	1.2
169.09824	1.7
179.07867	0.3
179.15562	1.8
180.06654	18.5
180.13838	0.5
181.06990	0.4
181.09813	1.0
183.63641	0.3
187.10835	2.7
197.12965	0.3
206.11855	0.6
207.07805	0.4
214.15504	0.4
218.14308	0.3
223.14520	2.7
225.16231	0.4
225.19716	2.0
231.07738	1.2
232.13435	0.5
237.16019	0.4
237.19804	0.3
238.11896	0.3
244.02104	0.3
247.14519	2.1
249.16072	11.1
249.18320	0.4
251.17751	0.3
268.20334	1.4
274.13126	0.5
275.14038	0.8
293.15060	11.7
320.27008	2.1
343.20224	1.1
344.16119	5.6
360.22964	2.8
364.25934	1.9
387.21558	1.3
404.21890	1.5
431.20737	0.3
446.18533	0.3
501.34509	1.5
545.33417	100.0
546.33795	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17675	0.3
59.01379	27.5
60.01707	0.5
61.98828	100.0
69.25864	1.5
71.01388	3.5
73.02938	0.9
75.64812	0.3
83.01408	0.4
83.05046	0.4
85.02955	1.2
89.02462	1.2
89.05563	0.4
98.22616	0.6
99.00877	0.5
101.02444	2.2
111.08166	0.5
113.02469	1.3
114.21601	0.3
119.03459	0.3
122.83903	0.3
146.46678	0.3
151.76312	0.3
161.04597	0.8
162.83969	0.5
164.83621	3.2
167.79301	0.3
173.04573	0.6
175.73598	0.3
191.05563	0.3
196.50627	0.3
197.11818	0.6
198.12181	0.4
253.06860	0.4
253.09381	1.4
291.19714	1.0
292.20117	0.5
309.20856	2.0
310.21066	2.4
319.59003	0.3
365.06754	0.8
379.08011	0.7
379.21179	1.3
397.22287	3.5
439.23334	2.8
507.96234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95391	1.0
58.02955	1.3
60.19342	1.2
69.95049	3.5
70.63069	1.1
79.25414	1.2
98.22537	1.6
109.22166	1.1
128.10808	3.5
130.08737	100.0
233.02582	1.2
409.28986	1.3
501.33527	1.3
546.45270	99.3
547.45782	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1094
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03441	1.1
59.01379	26.1
60.99303	1.2
61.98818	1.5
69.03462	0.8
71.01379	16.0
72.99296	0.9
73.02954	7.0
75.00903	0.7
83.01414	1.6
85.02934	3.8
88.98798	7.8
89.02444	20.8
94.21532	0.6
96.96015	1.1
98.21802	1.6
99.00878	6.8
101.02438	11.0
113.02441	3.8
119.03512	1.6
129.01953	0.7
131.03494	3.0
133.02924	1.3
135.04507	1.2
143.17435	0.6
149.04553	15.1
151.00349	0.8
161.02449	1.1
161.04535	1.2
173.04599	1.1
179.03525	0.9
179.05562	1.1
183.04503	0.7
191.05597	3.7
202.48578	0.7
221.06633	0.9
227.03526	0.8
239.03404	0.8
251.07622	1.2
255.02953	5.5
256.03711	2.3
267.15927	0.8
269.04468	0.9
283.02499	2.2
283.06110	0.6
284.03265	82.9
285.03650	3.2
297.03989	2.4
299.05606	100.0
300.05954	3.2
311.22284	1.1
341.06729	2.3
343.11819	2.0
349.20206	0.9
355.08316	0.7
511.25482	6.1
547.13251	0.7
547.28162	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01379	62.6
60.01667	1.2
61.98814	8.0
65.03979	1.1
67.47433	1.2
71.01382	34.8
72.99308	2.3
73.02946	4.4
74.65987	1.5
83.01420	1.6
85.02936	11.7
87.00857	3.1
89.02442	29.2
89.03992	2.7
91.01881	2.0
91.83930	1.3
93.03459	8.8
96.96004	5.5
99.00873	2.7
101.02437	23.0
105.03530	1.5
106.04356	1.2
107.05019	9.3
109.02944	2.1
111.00884	1.3
111.54787	1.4
113.02452	15.0
115.92067	1.4
117.03439	8.7
119.03495	16.1
119.05000	7.7
119.05778	1.4
120.02147	1.7
121.02950	7.5
129.01912	1.4
131.05009	2.3
133.02966	11.4
135.04524	6.3
145.02971	7.3
147.04538	6.8
149.04575	1.4
151.04022	3.1
158.03717	6.6
159.04530	13.7
160.05229	2.6
161.02432	1.6
161.04550	2.0
172.05289	1.8
173.02414	10.3
173.04666	1.8
173.06071	4.8
175.03979	8.6
177.01913	3.1
179.03499	1.4
179.05649	2.6
187.04012	12.7
188.04787	35.7
189.05457	1.5
191.01958	1.7
191.03555	3.2
191.05595	2.7
193.04945	1.8
201.05566	4.5
205.05074	7.6
209.02930	3.1
265.08658	3.6
267.10278	1.7
281.40128	1.4
293.08203	8.8
294.08981	14.7
295.09512	7.0
302.82950	1.3
308.06659	1.5
323.09210	100.0
324.09631	3.7
367.08154	2.1
546.27417	1.4
547.14447	24.8
547.27502	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1666
Annotation	Sibiricose A1
Peak:m/z	Relative Intensity
57.03455	0.8
59.01377	17.6
60.99292	0.4
61.98833	0.8
69.12632	0.8
69.13040	1.5
71.01378	11.3
73.02963	1.2
74.25935	0.3
74.92090	0.3
75.00837	0.4
80.96547	0.4
83.01411	0.7
85.02939	2.0
87.00871	1.4
88.98811	1.4
89.02441	13.9
91.01908	0.8
93.03449	0.4
95.01427	0.5
96.95995	0.7
98.22249	2.0
99.00866	0.5
99.04531	0.7
101.02435	6.3
111.00877	0.4
113.02444	4.5
119.01381	3.0
119.03512	3.4
121.02968	0.7
125.02454	1.3
131.03474	0.9
134.03696	0.5
135.04532	0.6
137.02454	0.5
143.03479	1.4
146.03729	1.5
147.00905	2.9
149.02437	3.8
149.04498	0.5
149.87297	0.4
153.41142	0.4
161.04543	1.6
161.05847	0.4
163.03987	0.4
164.04781	4.8
165.01910	1.1
175.00359	22.3
179.05585	2.5
179.07129	3.3
189.02042	0.5
190.02708	57.3
191.03065	1.6
199.68501	0.4
205.05045	100.0
206.05362	2.2
208.03772	0.6
223.06099	12.4
224.06346	0.4
265.07199	0.8
293.08969	0.5
319.11426	0.8
341.10849	6.0
342.10898	0.5
367.10010	2.1
487.17798	0.6
547.16571	20.3
548.17157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.167
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
55.72690	0.9
57.03454	1.6
59.01381	27.7
59.18301	0.8
61.98813	0.9
68.96098	1.0
69.72414	1.0
71.01012	1.5
71.01385	23.1
71.05018	0.9
71.33728	0.9
73.02932	2.8
80.58573	1.0
83.01379	2.5
85.02952	8.5
87.00879	10.1
89.02448	16.1
93.03444	1.6
95.01371	1.4
96.96010	5.3
97.02957	1.4
99.00877	2.4
99.04490	1.8
100.00053	1.0
101.02456	12.5
113.02469	10.6
117.05555	2.6
119.01376	3.8
119.03508	3.5
121.02971	6.3
121.62442	1.1
131.03505	1.2
135.04507	2.0
137.91809	1.3
143.03458	2.2
147.00868	3.7
147.04497	3.4
149.02452	40.5
151.07584	0.9
152.01198	1.2
161.04543	5.1
161.08208	12.3
163.03979	2.9
164.04799	44.1
165.01880	2.1
165.05409	1.5
165.66747	1.0
169.32753	1.0
175.00365	31.9
179.05556	3.4
179.07129	7.0
190.02725	85.6
191.03363	4.2
191.05621	2.7
193.01396	2.1
203.07181	0.9
205.05061	100.0
205.12363	1.8
206.05746	4.9
207.03040	1.3
208.03761	4.8
221.08234	7.0
223.06128	78.5
224.06419	2.6
237.07698	3.0
247.06148	1.6
250.04768	2.3
251.05627	0.9
265.07172	28.5
283.08511	1.7
295.08356	5.7
323.09839	1.9
325.09363	9.8
341.10822	2.2
367.10333	5.8
385.11404	5.9
473.23654	1.1
487.14807	3.5
547.16669	74.1
547.24023	2.9
548.16949	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86344	0.6
59.01383	0.6
62.01217	0.6
62.96394	1.0
67.12240	0.5
71.01371	3.0
76.78909	0.6
78.95901	100.0
84.93860	1.0
86.10949	0.7
96.96019	0.8
98.95472	0.7
99.92582	26.9
100.93357	15.4
104.97499	0.8
106.29469	0.6
110.98527	18.4
115.92082	17.7
116.92076	1.4
116.92862	19.1
126.94900	0.9
130.94373	1.0
134.98503	0.7
137.00058	0.8
146.89487	1.0
148.91032	1.8
150.98007	2.5
151.01671	1.7
154.94443	0.8
155.95154	3.2
159.45209	0.6
162.88896	1.1
163.88675	0.6
163.89758	6.4
164.90498	27.2
164.99596	4.1
165.90475	0.6
167.01138	5.9
168.15453	0.6
170.03922	0.6
172.95448	1.3
177.91241	1.1
178.86842	1.2
178.88435	28.4
178.92033	2.3
179.89221	39.7
180.90015	18.9
181.90782	8.0
193.90773	54.8
194.91562	23.9
194.92929	0.4
195.92282	2.3
196.89484	50.2
197.89420	1.4
206.91510	1.4
210.91052	2.6
218.91614	0.9
219.92258	1.6
220.93085	0.7
234.90656	0.7
235.91757	2.2
236.92577	2.3
237.93240	1.0
248.92616	3.6
249.93364	6.5
250.94217	4.0
252.92270	1.6
265.92798	0.9
266.93738	5.0
267.94507	1.5
277.21683	0.7
279.23358	6.6
282.93213	0.6
379.15985	1.2
435.18414	2.5
499.15942	1.2
511.15735	1.7
529.16711	15.0
530.16968	1.0
543.14429	5.3
547.17682	76.8
548.17932	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03445	2.4
58.00607	0.4
59.01379	40.6
69.03466	1.9
69.64368	0.4
69.71475	1.1
71.01379	47.1
72.99306	1.4
73.02945	26.8
75.00858	0.9
76.83807	0.3
80.44350	0.4
81.03465	1.1
83.01383	13.0
83.05038	0.4
85.02950	24.6
87.00886	2.4
89.02444	9.4
95.01393	3.1
96.96024	0.7
97.02953	4.3
99.00881	15.6
99.04478	0.5
101.02442	44.7
102.02803	0.4
103.04014	3.3
111.00914	0.4
113.02449	20.8
115.04025	0.9
119.03498	1.2
123.04533	0.4
125.01516	0.3
125.02451	6.7
127.04002	0.7
127.95396	0.3
128.03546	0.5
129.01932	1.2
131.03496	1.6
143.03511	2.8
145.05038	1.2
146.17918	0.3
149.06020	0.6
156.41049	0.4
159.02989	4.4
161.04559	21.6
163.06187	1.9
165.60753	0.3
179.05577	0.5
191.01970	0.6
191.05586	2.0
198.73232	0.4
205.07062	0.5
229.07111	0.8
247.08087	1.1
269.10287	33.2
277.45197	0.5
307.10269	0.5
401.14490	8.0
414.66644	0.4
415.16071	55.9
416.16306	1.5
482.11966	0.5
547.20294	100.0
548.20782	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03443	0.8
58.00590	1.2
59.01377	73.2
61.98838	0.7
69.03460	0.9
70.36876	0.6
71.01379	46.3
72.99306	1.1
73.02945	19.2
75.00836	0.5
83.01385	1.0
85.02951	5.7
87.00894	0.8
87.04524	0.5
88.04050	0.6
89.02441	100.0
93.03448	0.4
95.01403	0.6
96.95994	1.4
97.02943	1.8
98.95617	0.3
99.00878	30.6
99.04510	0.5
101.02439	39.2
102.02766	0.3
113.02441	7.5
115.03988	1.0
119.03497	4.9
125.02452	5.1
125.75516	0.3
129.01904	0.4
131.03497	19.4
132.03079	0.4
135.04547	0.5
143.03494	2.3
148.92982	0.3
149.04550	79.2
150.04901	0.7
161.02444	1.0
161.04549	3.4
173.04448	0.3
179.05603	1.2
190.02666	0.5
191.05612	16.9
197.24565	0.3
205.05003	0.5
221.06656	5.6
233.06693	0.8
244.26016	0.3
248.11115	0.3
251.07718	8.7
275.07541	0.4
293.08777	2.5
311.09821	2.3
325.07147	0.7
415.22568	0.3
429.47141	0.3
473.23541	0.4
503.24875	0.4
508.22919	0.3
547.27771	9.2
548.28180	0.4
550.22882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.99828	0.3
57.03457	0.7
58.00589	0.9
59.01380	79.7
60.01709	0.5
61.98833	0.6
69.03450	1.0
71.01382	50.9
72.89078	0.3
72.99310	1.1
73.02947	23.3
81.03452	0.5
83.01414	1.4
85.02950	5.3
87.00894	0.8
88.04057	0.5
89.02446	100.0
90.02785	0.6
95.01385	0.3
96.96023	0.6
97.02942	1.7
98.95599	0.5
99.00881	32.9
101.02446	38.9
106.22723	0.3
108.02205	0.4
113.02454	6.3
115.03998	1.0
119.03510	4.7
120.52549	0.3
123.68586	0.3
125.02451	5.4
131.03513	19.0
135.04561	0.5
143.03479	2.5
149.04556	85.5
150.04910	1.0
161.04544	3.7
179.05635	1.0
191.05608	18.5
207.04512	0.3
221.06688	5.7
233.06448	0.4
251.07732	9.3
275.07739	0.8
281.09061	0.4
293.08795	2.7
311.09854	2.7
368.31839	0.4
442.23248	0.3
473.23962	0.4
547.27759	8.8
548.28040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.4
60.28478	0.5
61.98830	100.0
68.56194	0.5
70.43076	0.5
71.01377	3.4
71.18571	0.5
73.02946	7.4
77.75974	0.5
81.91975	0.6
83.01402	1.8
85.02974	0.7
89.02473	1.8
101.02436	7.3
113.02488	2.5
116.98904	0.6
119.03537	1.1
131.03539	0.6
143.03539	0.9
147.08875	0.6
149.04613	0.9
161.04572	2.9
173.42310	0.6
221.06808	1.1
277.99725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23747	0.2
56.45844	0.2
59.01379	43.8
60.01723	0.3
60.93900	0.2
61.98829	100.0
71.01376	1.9
73.02955	0.9
85.02959	1.1
89.02455	1.5
97.52086	0.3
99.00832	0.3
101.02467	1.2
102.61617	0.3
103.25410	0.3
113.02440	1.4
161.04524	0.5
172.15076	0.2
173.26091	0.2
179.05556	0.3
215.23853	0.3
216.42252	0.3
297.20050	0.3
381.22696	1.9
399.23798	2.0
441.24933	1.5
506.86362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.5
61.98831	100.0
62.90055	0.5
62.97911	0.5
69.49522	1.0
69.49934	1.7
71.01392	3.8
73.02953	6.2
78.95900	0.9
83.01410	1.3
85.02960	1.4
89.02465	1.8
101.02446	6.5
113.02459	2.4
131.03513	0.7
143.03571	0.7
149.04665	1.0
150.89551	0.6
156.96233	0.7
161.04596	2.3
178.27705	0.6
193.05031	0.7
289.00760	0.6
542.65802	0.6
548.29120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
59.01380	23.1
61.98829	100.0
65.74679	0.4
71.01380	3.5
72.91996	0.4
73.02942	6.1
74.02473	0.4
83.01376	1.8
85.02969	0.7
89.02463	1.7
101.02451	5.6
113.02462	2.6
119.03515	0.9
143.03526	0.4
149.04581	1.1
161.04575	2.0
219.75018	0.4
292.07663	0.4
441.25031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14603	0.5
56.19707	0.5
59.01373	1.6
61.98821	1.4
70.11474	0.5
77.03959	0.9
78.95959	0.5
79.10323	0.5
80.55044	0.5
96.96007	1.0
97.02926	0.6
97.78007	0.5
121.02954	100.0
122.03289	1.5
147.04489	0.6
165.01927	52.6
166.02289	0.8
181.06575	2.6
197.06075	2.3
207.04677	0.8
217.00168	0.5
225.05530	1.7
225.07631	0.6
257.09641	0.6
313.07047	1.3
357.06113	0.8
383.07602	0.6
407.17429	2.4
417.09665	1.9
505.11417	1.3
549.10419	33.8
550.10559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
56.54541	0.6
57.03448	0.8
58.00579	1.3
59.01376	100.0
61.98826	16.9
62.70856	0.6
71.01378	44.6
71.43420	0.7
72.99321	1.8
73.02953	1.6
78.05327	0.7
83.01384	2.0
85.02956	8.3
87.00879	1.9
89.02441	50.5
95.01382	3.9
99.00853	1.1
101.02435	30.9
107.05009	1.3
113.02440	16.8
119.03497	28.9
124.72370	0.6
131.03490	2.6
133.02898	0.8
135.04497	1.0
143.03500	3.9
149.04544	2.4
161.04597	3.4
161.05823	0.6
179.05609	6.3
183.13861	1.1
295.22723	1.1
311.09131	2.3
313.23798	1.7
339.08676	1.3
383.18719	0.7
472.63922	0.8
475.28802	3.8
513.30780	1.4
549.16113	49.0
549.32794	11.7
550.16333	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1976
Annotation	Eucommin A
Peak:m/z	Relative Intensity
57.03448	0.9
59.01379	7.8
61.98803	1.0
63.10388	0.5
64.06461	0.6
69.35417	0.6
71.01372	4.6
73.02940	2.1
85.02953	3.1
89.02451	2.5
96.96006	2.1
99.00903	0.7
101.02431	2.9
109.02914	1.2
112.13824	0.7
113.02442	2.0
116.92864	0.8
119.03513	0.9
119.49684	0.6
121.02940	2.7
123.00872	1.1
128.56024	0.7
133.02924	1.3
134.03737	0.8
135.04552	1.1
136.01659	36.3
137.02454	5.9
151.00394	6.8
151.04004	52.3
152.01125	0.6
152.04712	2.0
160.05225	0.9
161.02486	1.9
161.04552	1.0
162.03204	0.9
166.02713	22.2
167.03477	1.5
175.03905	1.1
176.04744	0.7
177.01828	1.2
177.05614	0.8
179.07028	0.7
181.05055	32.9
190.06288	0.9
193.05052	1.2
205.05051	1.5
205.08765	0.7
209.04596	0.7
219.06628	0.7
227.03453	2.7
255.02867	3.4
284.03296	4.6
285.04080	1.2
311.09326	0.8
329.10254	2.0
339.08655	2.7
340.17484	0.6
340.59586	0.7
357.09796	13.2
369.13718	3.6
372.12180	7.9
387.14474	100.0
388.14832	3.0
549.12158	3.5
549.29291	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.0
57.98275	0.8
59.01377	46.1
61.98826	1.8
71.01381	25.7
71.43462	0.8
72.99297	1.2
73.02951	5.9
75.00872	2.5
75.27277	0.9
82.95396	1.4
83.01378	1.2
84.01057	0.8
84.95127	1.1
85.02950	11.5
87.00885	1.1
87.97146	0.8
89.02446	30.4
90.87571	0.8
95.01392	1.8
96.96007	10.5
97.02975	0.9
99.00874	8.8
101.02443	14.2
109.02938	2.2
113.02450	10.2
116.92857	1.5
119.01598	0.9
119.03506	9.2
121.02958	3.1
122.03735	3.3
123.00895	3.1
125.02454	1.5
131.03525	2.7
133.02917	2.6
134.03781	1.0
135.04546	2.2
136.01657	26.5
137.02458	5.0
138.03230	2.9
143.03502	3.6
149.04526	4.5
151.00363	10.9
151.04002	38.9
153.02013	1.1
153.05591	4.6
159.04604	1.2
160.05313	1.9
161.02408	1.3
161.04575	3.9
162.03230	1.1
163.03975	1.1
165.04080	1.0
166.02715	37.1
167.03439	1.4
175.03955	1.2
175.07715	1.5
177.01866	2.7
179.03491	1.6
179.05594	5.9
179.06950	1.0
181.05067	42.9
188.04800	1.9
190.02921	0.9
191.01961	2.2
191.05603	3.2
193.05031	1.2
203.07198	5.7
210.76610	0.9
237.06149	1.6
238.06439	1.0
278.05936	1.0
289.11139	2.0
308.65771	1.0
324.10211	1.9
329.10452	1.7
339.12311	2.3
357.09760	8.0
369.13440	6.5
372.12131	7.5
387.14471	100.0
388.14954	3.4
505.22815	2.5
549.12030	1.2
549.25439	1.6
549.29163	1.7
550.29187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03441	0.7
58.00576	0.6
59.01381	41.8
61.98836	1.4
69.03466	0.8
69.87537	1.7
71.01387	21.1
71.01782	1.0
72.87935	0.6
73.02946	5.7
75.00858	1.4
81.29392	0.6
83.01396	2.3
85.02950	9.4
86.67215	0.6
87.00894	3.7
89.02450	17.8
89.03012	0.9
95.01375	1.2
96.95982	0.7
97.02929	0.8
99.00877	1.7
101.02453	15.5
111.81540	0.6
113.02456	9.2
116.92852	1.5
119.03504	6.6
121.02982	0.9
122.91376	0.6
125.02451	2.1
125.06131	0.6
131.03505	4.5
134.03680	0.6
143.03528	1.5
149.04585	1.4
159.03018	0.9
161.04579	6.9
163.11311	1.8
165.01939	4.0
165.04073	0.9
166.06400	1.3
175.00438	0.6
178.07396	0.8
179.05534	3.5
180.04300	6.6
190.02728	1.4
191.05724	1.1
195.06631	10.9
205.05070	2.4
206.05421	1.5
207.05290	0.8
207.10326	1.7
221.06645	6.3
227.03464	0.7
233.06511	0.6
255.02927	1.0
263.09250	1.4
283.02576	1.2
293.08774	1.3
298.04834	1.4
326.04282	2.3
327.04965	1.3
341.12598	0.8
342.06161	1.4
387.09509	0.7
387.16547	0.8
429.14160	0.8
443.48328	0.8
480.07782	0.6
489.10568	3.0
529.34277	0.7
549.21985	100.0
550.15002	3.6
550.22839	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.283
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
57.78434	1.1
59.70929	1.1
61.98828	2.0
69.68017	4.7
78.95899	27.9
85.71789	1.0
105.09340	1.1
110.98524	21.3
121.31213	1.1
141.09195	3.3
141.71083	1.0
153.12834	8.5
163.11223	1.4
165.12813	9.2
167.01135	17.8
179.10768	5.2
181.12360	19.4
185.02304	5.5
185.03612	1.2
192.11647	2.1
195.13785	1.2
197.11757	5.6
199.13385	100.0
200.13641	2.5
215.12880	3.3
237.14937	2.2
255.15990	2.4
257.17435	1.2
345.24261	2.8
359.86334	1.3
363.25256	4.4
367.15280	44.0
368.15701	1.7
381.26428	8.8
549.28259	73.0
550.28558	4.2
569.74048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88756	0.1
55.27978	0.1
55.28270	0.1
57.03437	0.2
59.01385	0.7
69.14405	0.4
69.14817	0.4
71.01372	0.5
73.02942	0.2
78.95917	0.6
79.95731	2.4
85.02950	0.4
89.02489	0.2
93.03434	0.2
94.98081	0.3
96.96008	100.0
98.22733	0.3
101.02482	0.3
113.02435	0.2
115.03992	0.1
130.08719	0.5
140.95705	0.1
180.06653	0.2
203.80661	0.1
291.60760	0.2
343.04507	0.2
489.26340	0.2
511.61597	0.1
549.12585	0.5
549.32629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88055	0.9
53.76348	0.7
57.73023	0.6
58.75704	0.8
59.01380	41.6
60.01756	1.0
61.98829	100.0
71.01398	4.9
73.02972	1.4
85.02975	1.8
99.00886	1.0
101.02455	0.8
113.02464	2.5
155.80762	0.9
161.04553	0.9
248.04436	1.3
249.08914	1.5
250.06017	0.8
250.09468	0.9
261.05328	2.1
262.06052	2.2
263.06610	0.8
274.05966	1.8
275.03693	1.2
275.06802	1.2
276.03885	3.4
277.04724	2.5
278.05420	1.6
278.08911	0.8
289.05087	2.7
290.05539	9.3
291.06277	7.1
292.06876	2.7
304.03876	2.9
304.07281	1.2
305.04230	7.7
305.07935	2.7
306.04944	3.5
306.08484	1.5
319.06137	5.1
320.06442	16.1
321.07333	2.5
335.08810	2.1
365.06198	3.6
366.07132	1.0
367.07663	2.5
379.08185	15.5
380.08572	66.9
381.08865	5.0
382.09058	3.4
383.24399	1.0
401.25571	2.1
443.26395	0.9
490.34738	0.9
550.20966	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
57.03433	1.6
59.01377	27.0
59.81390	0.7
61.98821	3.2
71.01378	18.1
72.99300	1.1
73.02950	4.4
73.28143	0.7
75.00856	1.2
78.91847	0.8
82.95394	1.0
83.01376	3.3
85.02946	9.2
87.00867	3.1
89.02440	7.0
95.01387	2.0
96.70341	0.7
96.96003	2.2
99.00872	1.7
101.02438	11.3
108.85143	0.7
109.51358	0.7
111.00931	0.8
113.02448	6.3
116.92850	7.1
119.03503	3.0
121.02960	2.9
124.01653	4.3
125.02431	2.3
134.03731	1.0
137.02443	1.4
139.04005	4.5
143.03523	1.2
147.03171	0.8
147.04419	0.9
149.06076	0.9
150.03288	1.2
151.04089	0.8
153.05571	1.4
159.03026	0.9
159.04417	1.4
161.04544	1.4
165.01950	0.9
165.05574	3.4
172.05254	0.8
173.06062	2.2
175.03947	0.9
179.05675	1.2
185.38138	0.7
187.07619	0.9
189.05473	1.0
190.06314	1.7
191.07133	1.7
193.05013	2.0
203.07089	1.0
205.08665	1.4
208.07385	1.2
209.11653	0.9
253.05125	2.0
256.03757	3.3
267.06458	0.8
271.06201	2.2
283.05832	1.1
295.05661	0.9
296.06818	1.9
310.08450	0.8
311.09085	2.2
316.09390	0.9
323.09280	1.2
325.10800	1.4
326.07938	1.3
326.11526	0.8
327.08627	1.3
327.12271	0.8
329.10156	2.6
331.12100	0.9
341.10193	2.6
343.11835	2.8
344.08978	2.0
356.12781	1.1
359.11267	12.1
359.15094	4.2
360.11981	1.0
361.16528	3.5
371.15009	2.1
374.13644	18.9
375.14087	1.0
389.16089	49.7
390.16568	2.1
491.15811	1.3
536.18921	2.8
550.30408	0.8
551.21307	100.0
552.21729	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75014	0.3
59.01378	7.1
61.98829	5.9
64.25076	0.4
69.41359	1.7
71.01376	4.1
71.38960	0.4
73.02928	1.7
80.00701	0.4
82.95403	0.8
83.01408	0.5
85.02940	1.6
87.00880	2.5
89.02449	4.2
96.96024	0.6
99.00906	0.8
101.02442	2.7
101.22034	0.4
106.04158	0.4
108.02138	0.6
109.02975	0.6
111.00897	0.7
113.02446	1.3
116.92854	2.3
119.03497	0.6
121.02975	2.2
122.03716	0.8
123.04525	0.5
124.69296	0.4
128.03537	0.7
137.02403	0.7
138.03201	0.5
143.04668	0.8
145.02962	1.7
147.04507	1.3
149.04565	1.7
151.04012	0.5
152.07179	0.9
159.04497	0.5
161.04564	0.8
162.03198	0.4
163.04018	4.4
169.65990	0.4
173.02443	0.6
174.03262	2.9
175.03996	13.5
176.04794	2.7
177.05605	1.0
179.03465	0.6
180.04301	3.1
188.04836	2.8
189.05588	6.1
190.06366	18.5
191.05597	0.6
191.07123	12.8
192.04396	0.8
193.05049	5.1
193.06664	0.7
194.05818	2.6
195.06639	0.5
203.07185	2.1
204.07935	0.9
205.08687	16.7
206.09050	0.5
207.06616	3.4
208.07397	24.5
222.08978	5.9
223.09705	1.7
237.05528	0.7
254.07898	0.5
302.31958	0.4
306.07806	0.7
329.10452	0.6
344.12634	3.5
359.14987	100.0
360.15387	3.3
389.15988	4.2
412.17245	0.4
488.20514	2.7
505.26614	1.9
507.25500	0.6
551.22540	1.5
551.30896	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01865	1.8
59.01378	30.4
61.98818	2.2
66.13218	0.8
69.32735	3.7
71.01376	18.0
73.02943	7.2
75.00859	1.2
78.91893	1.4
83.01384	3.4
85.02947	8.9
87.00867	2.3
89.02446	8.0
95.01383	2.2
99.00861	1.5
101.02435	12.3
111.00876	1.3
113.02430	6.6
116.92864	6.7
119.03496	4.0
121.02946	1.5
124.01653	5.4
125.02417	2.8
134.03641	1.2
139.04010	4.4
143.03448	1.1
151.04025	1.0
159.04497	2.3
161.04628	1.2
161.06009	0.8
162.03189	0.9
165.05566	2.5
165.47534	0.9
167.93744	0.8
173.06076	2.3
177.05611	1.1
182.75447	0.7
187.07784	1.0
189.05634	1.8
190.06364	1.7
191.07123	1.7
193.05054	1.5
196.56592	0.7
198.43854	0.7
205.08722	1.2
206.33546	0.8
208.07378	1.1
256.03729	2.7
271.06030	2.3
293.20575	0.9
296.06613	1.4
311.09192	3.3
323.09055	1.3
325.10687	2.1
326.07825	1.5
326.11319	1.3
328.09430	0.9
329.10172	3.1
341.10327	2.8
343.11874	2.9
344.08868	1.2
356.12643	1.7
359.11279	13.7
359.15085	2.5
360.11948	1.3
361.16489	2.0
371.15021	2.2
374.13696	18.5
375.14325	1.2
389.16064	46.7
491.15515	1.1
521.16772	1.2
536.18762	1.9
551.21332	100.0
552.21692	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01879	1.1
58.00582	1.6
59.01377	100.0
61.98818	1.4
71.01379	45.8
71.43951	0.9
72.99295	2.5
73.02936	2.9
83.01396	2.8
85.02950	10.5
87.00890	2.9
88.98786	0.8
89.02442	65.9
95.01385	3.2
96.95994	0.9
99.00890	1.3
101.02441	32.1
103.00343	2.2
107.03506	0.9
108.02153	1.8
109.02978	1.2
113.02455	19.4
116.92860	2.4
119.03497	32.7
121.02898	1.2
122.03733	1.1
123.04534	2.0
131.03510	4.0
136.04012	0.9
137.02454	1.4
139.03960	0.8
141.18404	0.7
143.03525	6.5
143.04596	1.5
147.04568	0.9
149.04550	2.8
151.04015	2.6
152.04802	1.0
153.01932	0.9
159.04546	1.6
160.05305	4.9
161.04565	8.3
161.05893	1.5
163.59703	0.8
165.05524	1.2
172.05270	3.2
173.06041	1.3
175.04019	2.4
175.07628	2.1
178.06273	1.0
179.05611	14.5
187.07669	1.4
189.05588	6.6
190.06339	5.9
203.07118	1.4
205.08643	4.0
257.17603	1.0
306.07346	1.1
307.07648	0.8
311.09204	2.1
317.19757	1.5
320.30029	0.9
321.44171	0.8
326.11563	3.0
341.10150	1.2
341.13861	3.8
356.12701	1.1
359.14893	2.0
371.14963	34.5
372.15186	1.4
389.15942	2.8
389.20749	0.8
491.21243	2.7
551.13513	1.6
551.21448	10.2
551.30511	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33683	16.6
61.98817	44.3
63.83227	19.5
69.92527	59.3
78.95903	100.0
81.36501	20.1
82.95394	24.0
96.96010	32.3
118.06307	17.1
133.83823	20.6
162.51263	20.2
211.13419	28.5
241.21687	31.8
261.26041	23.1
279.23318	70.3
289.18146	32.0
307.19064	47.8
355.14374	24.8
442.75311	20.6
469.25626	40.2
552.20715	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33449	0.8
59.01377	11.1
61.98828	5.1
71.01370	1.8
71.13661	1.2
73.02923	1.1
76.02502	0.9
78.95907	3.0
84.77588	0.8
89.02447	2.4
93.56895	1.0
101.02462	2.4
103.00359	1.0
113.02507	0.9
118.54483	1.0
235.08224	3.0
253.09265	13.5
255.23291	100.0
256.23615	2.3
483.27231	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48408	0.3
52.05250	0.3
61.98827	100.0
78.95918	0.4
80.96514	2.3
91.35328	0.4
94.98121	0.6
96.96037	0.4
164.98680	0.4
225.00801	0.8
225.69713	0.3
252.54752	0.4
275.60895	0.4
434.94345	0.4
553.26807	4.9
578.30408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
61.98801	0.8
69.06599	3.6
71.01383	0.8
80.00910	0.6
88.09314	0.6
89.02416	0.7
98.22594	1.5
100.51260	0.6
101.02424	0.8
109.02943	1.2
117.62276	0.6
121.02921	2.3
121.42974	0.6
145.02942	1.8
146.03680	0.9
149.02431	2.1
150.03180	0.7
161.02434	0.9
163.03941	1.1
164.04796	1.8
164.81534	0.5
165.05582	1.1
166.85645	0.6
177.01903	2.8
177.05560	1.0
185.02316	0.8
186.03241	0.8
191.03506	0.7
192.04294	0.8
193.05034	0.9
197.05991	1.0
205.27686	0.6
207.06619	2.3
209.05977	0.8
211.04056	0.8
211.07660	1.1
212.04799	1.6
213.05602	0.7
221.05978	1.0
223.07718	1.1
224.04793	1.8
224.62988	0.6
225.05478	1.2
227.07123	2.1
237.05656	3.1
238.06349	2.0
239.03490	1.7
239.07097	6.1
240.04279	47.1
241.04916	1.9
247.04156	0.7
249.05591	1.8
250.06380	1.6
251.07191	3.3
252.04358	1.0
253.05006	1.9
254.05820	2.1
255.06638	11.0
265.05026	5.4
266.05728	3.2
267.06622	18.7
268.07315	1.0
269.08218	4.7
270.05612	1.1
270.08878	6.8
271.06046	0.8
273.25974	0.7
277.05054	2.8
278.05872	2.5
279.06598	3.5
280.07391	2.2
281.08279	1.2
282.09006	2.0
283.06131	22.5
284.06476	1.0
285.07690	1.6
286.08340	1.1
292.07101	0.8
293.08188	3.5
294.05713	1.1
294.08966	3.5
295.06128	64.4
296.06427	2.1
297.07599	2.1
298.08456	61.1
299.08862	2.6
301.10693	0.6
309.07642	3.1
310.08466	61.9
311.08768	2.3
313.10818	84.8
314.11166	2.3
325.07275	3.8
325.10791	49.8
326.11240	1.6
328.09619	1.1
340.09439	2.1
343.11893	8.9
355.12152	0.9
361.12927	100.0
362.13306	4.2
373.12918	99.1
374.13422	4.3
391.13730	2.0
391.18085	1.3
471.10504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	1.6
59.01384	19.2
61.98830	3.6
69.03435	2.9
71.01376	9.3
73.02932	6.4
75.00858	2.4
83.01396	1.8
85.02936	3.6
87.00851	1.6
89.02430	6.1
96.96012	9.3
101.02428	8.3
105.48383	1.6
108.02153	2.4
109.02936	3.1
113.02423	3.6
118.09203	1.5
119.03427	2.6
121.02926	1.8
123.04474	2.8
124.01667	7.8
135.04543	4.3
136.01622	4.0
137.02429	1.8
147.06660	3.8
149.02390	2.1
150.03223	3.2
151.03998	4.0
162.03256	1.8
165.05548	3.2
179.03474	2.0
179.05548	1.6
184.05284	5.9
187.04016	2.5
191.05653	1.6
195.04520	1.9
197.05975	1.9
209.93179	1.7
211.04099	2.4
212.04776	5.6
213.05548	4.6
225.05560	12.5
226.06273	2.3
227.07097	6.7
240.04282	40.6
240.07889	12.1
241.05006	13.7
241.08566	3.0
255.06619	100.0
256.07349	17.0
260.86456	1.5
270.08954	88.0
271.09744	45.6
301.10797	78.1
301.13541	1.1
302.11041	2.7
312.37961	1.6
323.08966	1.9
341.10666	4.9
355.08118	2.5
535.19196	2.7
553.19684	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
57.03452	2.3
59.01070	2.3
59.01375	36.4
61.98830	4.3
63.27647	1.1
69.03455	3.4
69.40804	4.9
71.01381	37.6
73.02946	23.0
75.00874	2.6
76.76252	1.1
82.95432	1.6
83.01393	6.8
85.02940	18.6
87.00858	1.6
88.98847	1.8
89.02443	9.2
93.03469	4.9
94.98089	5.5
95.01337	2.7
95.05064	1.9
96.96014	3.3
97.02952	2.6
98.21821	1.5
98.48768	1.2
99.00865	14.0
101.02448	30.8
108.02193	2.1
109.02916	5.5
111.00882	2.1
113.02432	13.1
115.03996	1.2
116.92883	1.2
121.02921	8.0
122.03725	12.4
123.04521	3.7
125.02456	4.9
129.01973	1.5
131.03467	2.9
133.02994	2.9
134.03752	1.9
135.04572	4.3
136.01620	2.5
142.79510	1.1
143.03494	2.8
145.01424	5.4
146.02740	1.3
146.03784	3.8
147.04634	1.8
147.06642	7.3
148.01628	1.2
149.02441	47.5
150.03224	72.8
150.77460	1.2
151.03986	2.7
159.03020	3.2
159.04498	2.0
161.02501	1.8
161.04579	11.3
161.05919	2.0
163.04053	2.5
164.04794	11.6
165.05557	68.6
166.05913	1.9
173.04520	1.0
175.04039	5.4
177.05591	4.1
179.07164	4.5
180.04272	5.7
187.04073	1.2
187.07683	2.2
189.05548	1.7
191.05659	2.8
195.06619	38.0
203.03551	1.9
203.53880	1.1
203.55714	1.3
219.06630	2.0
224.06828	1.6
240.04417	1.4
241.08682	1.6
267.06680	1.8
267.10300	2.3
275.09363	3.7
277.08673	4.5
279.06583	1.8
280.07388	1.2
281.08517	2.2
289.16522	19.4
293.08334	2.1
294.08948	2.2
295.06125	4.0
295.09970	4.5
296.06979	1.7
297.07779	6.4
297.11008	1.1
298.08472	2.3
309.07745	8.2
309.11359	3.6
310.08459	3.6
311.09201	37.1
312.09796	6.1
313.10867	9.6
323.09390	1.7
324.10141	5.0
325.10672	7.1
327.12326	13.8
337.11136	1.8
339.12457	12.8
340.09375	1.3
343.12122	2.5
355.08151	12.1
355.11823	1.2
386.62503	1.2
421.20749	34.3
427.11435	1.7
430.14047	1.4
431.14908	2.8
442.14413	4.0
443.14792	1.5
457.16699	4.9
459.13904	1.9
460.15314	2.6
461.15601	1.9
473.14963	1.3
475.17441	14.8
487.17603	5.4
505.18668	100.0
506.19147	5.8
517.13629	8.6
523.19598	1.5
535.19708	1.5
535.45190	1.2
553.25287	63.7
554.25226	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2293
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
55.01885	1.7
57.03458	0.7
59.01377	23.9
61.98838	0.5
69.03461	0.5
69.06928	2.2
71.01378	14.7
72.99289	0.5
73.02947	3.9
75.00889	0.5
77.70921	0.4
83.01377	2.9
83.05048	0.4
84.17217	0.3
85.02949	6.7
85.03391	0.6
87.00905	1.6
89.02446	7.3
95.01422	1.4
96.96036	0.5
97.02969	0.6
98.22684	0.8
99.00903	1.2
101.02440	10.7
108.02167	0.3
109.02935	1.9
111.00935	0.5
113.02451	4.6
115.37136	0.4
119.03494	2.2
119.05077	0.4
121.02943	2.2
122.03745	2.2
123.04546	1.1
124.01704	1.2
124.36384	0.3
125.02466	2.6
135.04562	1.1
137.02429	9.8
138.03239	3.1
139.04024	2.3
139.21240	0.4
141.01926	0.4
143.03545	0.6
145.02925	0.7
147.04549	2.1
149.13799	0.3
150.03212	0.5
151.03996	3.0
152.04774	2.1
161.04613	0.6
161.06120	1.0
162.03271	1.6
163.04033	2.5
164.04803	1.0
165.05562	5.1
165.65746	0.4
166.06360	0.6
170.02170	0.4
175.04025	0.7
175.07620	0.6
176.04697	0.9
177.05602	2.6
179.03471	0.5
179.05791	0.5
179.07170	1.5
180.04263	3.8
181.05055	8.5
189.05614	0.9
190.06282	0.4
191.07117	1.0
194.05869	1.6
195.06618	11.4
203.07176	0.4
205.08849	0.5
207.06555	1.7
209.08231	2.0
223.09830	0.4
263.65231	0.4
313.10806	0.9
324.39499	0.4
327.12894	0.4
328.13052	1.1
331.11990	2.5
334.59988	0.4
343.11844	1.6
343.15619	0.8
344.12595	0.7
345.13367	1.6
358.14429	2.7
359.14960	1.3
360.15292	1.1
361.12473	3.9
373.16449	3.6
376.15256	13.4
377.15906	1.5
391.17618	54.4
392.17947	1.6
493.24600	0.6
511.25702	0.5
538.20667	1.4
553.22900	100.0
554.23169	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
67.52320	0.5
70.50457	1.0
71.01392	1.2
72.02917	0.5
73.02914	0.7
75.00896	0.5
85.02968	0.7
88.98805	1.7
89.02437	0.8
93.03462	5.9
96.95981	0.7
101.02467	1.0
102.19403	0.5
108.02140	1.0
109.02962	2.7
111.04503	0.8
113.02521	0.8
119.05070	0.8
121.02960	3.5
122.03750	4.1
123.04547	1.5
124.01674	1.5
125.02474	4.2
135.04457	0.7
136.05266	0.7
137.02449	19.2
138.03241	5.4
139.04005	5.6
141.01715	0.9
147.04550	1.7
151.04004	3.7
151.76489	0.5
152.04837	2.9
160.05278	0.7
161.06042	1.0
162.03253	1.2
163.04027	1.6
164.04741	0.9
165.05568	8.5
175.04021	0.8
175.07553	0.6
176.04773	2.3
177.05573	2.5
179.07149	3.2
179.25061	0.6
180.04314	3.1
181.05081	8.7
189.05614	0.8
190.06372	0.6
191.07106	0.8
194.05875	3.9
195.06621	13.6
206.06007	0.6
207.06621	3.4
208.07338	1.0
209.08214	3.9
213.08127	0.6
223.09749	0.8
331.11929	6.4
345.13474	2.0
361.12863	11.4
366.49890	0.6
376.15274	19.7
377.15714	0.6
391.17642	100.0
392.17831	4.0
407.15414	0.6
445.56720	0.7
476.31882	0.6
517.30511	1.1
534.13776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36866	0.3
59.01386	2.4
62.10029	0.3
68.96053	0.3
69.37122	1.7
71.01388	2.0
71.95518	0.4
73.02927	0.5
75.00862	0.4
86.71156	0.3
89.02456	0.8
93.03457	0.7
94.15781	0.4
97.02975	0.6
99.00877	0.6
101.02425	0.8
108.02193	0.4
109.02957	2.6
113.02480	0.7
119.03493	0.4
119.04984	1.1
121.02927	2.2
122.03719	2.8
123.04541	0.9
124.01665	1.3
125.02461	3.2
129.10330	1.1
134.06184	0.4
136.05338	0.6
137.02440	8.1
137.06013	0.4
138.03218	3.8
139.04019	3.4
141.01718	0.8
143.11896	0.8
144.79144	0.4
145.02818	0.3
147.04492	1.6
149.04552	0.6
149.05991	0.4
150.03226	0.8
151.03992	2.6
152.04784	2.6
153.05588	0.6
155.08267	1.8
161.06116	0.7
163.03990	1.5
164.04785	0.6
165.05586	5.6
173.73376	0.4
175.07762	0.5
176.04727	0.7
177.05577	2.2
178.06438	0.5
179.03403	0.5
179.05782	0.4
179.07143	1.9
180.04219	2.0
180.06664	1.7
181.05046	6.8
189.05585	0.5
191.07080	0.9
194.05817	3.2
195.06610	9.8
207.06631	1.8
208.07504	0.6
209.08273	1.9
223.09694	0.4
226.91660	0.4
249.16068	0.7
275.13962	0.4
293.14969	1.1
313.11032	0.5
331.11853	4.0
343.11844	0.9
345.13351	2.0
361.12943	8.7
366.81693	0.4
376.15250	17.1
377.15457	0.6
391.17606	100.0
392.17859	3.5
517.22711	0.8
517.30243	9.7
553.22375	1.4
553.32178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98817	6.0
63.96229	1.5
70.10226	2.1
71.01374	5.7
73.02942	1.9
78.98577	4.9
79.95730	9.0
80.96514	59.8
81.03458	0.9
81.76125	1.0
85.02943	1.8
87.00875	3.5
87.51111	1.1
90.47143	1.1
94.98091	14.1
96.96004	2.0
97.02936	1.9
99.00909	1.0
101.02432	3.3
106.98073	3.1
119.71170	1.1
122.97562	2.3
125.02427	4.3
134.97568	4.7
136.99258	1.4
148.99086	5.3
152.98647	5.7
164.98653	9.4
190.70644	1.1
199.09802	2.0
206.99660	2.0
209.11722	2.6
211.13295	1.7
225.00746	15.2
228.28264	1.2
253.21791	1.9
299.04370	2.9
305.17657	1.3
307.49927	1.1
309.20459	1.1
336.06058	1.1
471.34784	45.5
500.35049	1.2
553.26764	100.0
553.35077	28.8
554.27051	4.3
554.34741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98830	0.8
63.96235	1.1
68.04176	0.4
70.76153	0.5
70.76489	0.6
71.01379	5.8
73.02943	1.8
73.90281	0.4
78.98602	3.9
79.95736	8.1
79.96197	0.5
80.96515	54.3
81.03444	0.9
83.01353	0.7
85.00462	0.5
85.02932	2.1
87.00882	2.1
94.98091	13.4
96.02947	0.4
96.95991	1.0
97.02953	1.3
99.00873	0.4
101.02434	1.8
106.98077	2.0
109.06697	0.5
122.97576	2.9
125.02454	2.3
127.04004	0.8
134.97572	4.6
136.28185	0.5
136.99173	1.2
148.99156	5.3
152.98643	4.6
162.72673	0.4
164.98627	10.0
195.14122	0.4
199.09801	0.7
206.99712	1.8
209.11842	1.9
210.38499	0.4
211.13457	0.5
225.00737	13.6
253.21684	1.8
287.16187	0.5
299.04340	3.4
305.17569	0.9
309.20557	0.7
401.69473	0.4
471.34805	1.8
553.26874	100.0
554.27094	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58831	34.0
51.11067	31.1
69.10221	100.0
69.10629	98.3
78.95905	48.3
82.95409	45.9
85.56758	33.5
107.61366	38.5
151.63887	30.2
167.01122	42.3
182.62843	41.1
212.44461	40.4
279.23352	64.6
281.24881	67.8
397.45792	43.0
402.83389	38.4
418.14578	39.2
484.27319	45.3
490.99271	35.9
553.31775	52.4
553.43591	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
127.38248	0.5
233.05974	1.0
234.06935	0.6
247.04030	2.5
248.08412	3.1
249.09116	2.2
258.03214	1.1
260.04709	2.9
261.05441	4.0
262.06329	1.8
273.05472	3.5
274.06274	1.1
275.03513	7.0
275.06754	1.0
276.04300	4.1
276.07886	1.4
277.05026	3.0
277.08511	1.2
288.04156	0.8
289.05069	14.8
289.08224	1.0
290.05826	11.6
291.06485	5.6
292.07385	2.0
293.08261	0.9
302.05695	0.8
302.55978	0.5
304.03754	14.7
304.07401	6.0
305.04468	6.6
305.08200	4.1
306.09018	0.7
308.06885	0.9
319.06085	34.6
320.06879	3.3
334.08383	5.3
335.09378	0.6
336.06403	1.0
364.05859	7.1
366.07449	5.6
379.08194	100.0
380.08713	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45052	0.9
59.01379	4.9
61.98829	5.8
69.11083	5.2
69.11503	1.6
71.01357	1.5
73.02957	0.9
85.02941	2.0
89.02422	1.0
94.06606	4.5
96.96001	2.7
99.92585	3.2
100.93380	1.3
101.02460	1.0
105.57926	1.0
106.06599	1.3
107.03762	13.7
115.92078	2.4
116.92869	19.7
120.04527	1.1
122.06120	53.2
125.02446	4.2
134.06113	2.1
139.02711	1.3
147.06607	3.2
149.99582	2.0
150.05608	1.6
152.07172	94.8
153.07529	1.3
160.04056	1.2
166.04973	1.4
168.00681	4.5
210.07846	1.5
213.10342	3.0
222.07959	1.7
225.06647	1.6
225.10254	2.0
237.06656	2.2
237.10341	9.1
238.07257	1.6
238.09058	1.3
239.08278	2.5
249.06705	1.3
250.08791	1.1
251.04512	0.9
251.08168	4.8
252.09084	2.9
253.09863	8.2
263.08258	2.2
265.06244	8.4
265.09805	4.2
266.06915	16.6
278.06998	5.4
279.07678	3.3
280.08545	5.3
281.09314	79.1
282.09576	1.8
293.09329	43.5
294.09918	5.6
313.11868	10.6
325.11996	1.3
354.12204	1.8
355.12985	1.5
402.18112	3.7
403.15604	0.9
405.17905	1.2
418.17899	5.0
446.17197	80.5
447.17566	4.2
478.19891	31.2
479.19638	1.4
490.16190	44.1
491.16293	2.3
522.18793	100.0
523.18866	5.5
554.21069	1.5
555.18298	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45052	0.9
59.01379	4.9
61.98829	5.8
69.11083	5.2
69.11503	1.6
71.01357	1.5
73.02957	0.9
85.02941	2.0
89.02422	1.0
94.06606	4.5
96.96001	2.7
99.92585	3.2
100.93380	1.3
101.02460	1.0
105.57926	1.0
106.06599	1.3
107.03762	13.7
115.92078	2.4
116.92869	19.7
120.04527	1.1
122.06120	53.2
125.02446	4.2
134.06113	2.1
139.02711	1.3
147.06607	3.2
149.99582	2.0
150.05608	1.6
152.07172	94.8
153.07529	1.3
160.04056	1.2
166.04973	1.4
168.00681	4.5
210.07846	1.5
213.10342	3.0
222.07959	1.7
225.06647	1.6
225.10254	2.0
237.06656	2.2
237.10341	9.1
238.07257	1.6
238.09058	1.3
239.08278	2.5
249.06705	1.3
250.08791	1.1
251.04512	0.9
251.08168	4.8
252.09084	2.9
253.09863	8.2
263.08258	2.2
265.06244	8.4
265.09805	4.2
266.06915	16.6
278.06998	5.4
279.07678	3.3
280.08545	5.3
281.09314	79.1
282.09576	1.8
293.09329	43.5
294.09918	5.6
313.11868	10.6
325.11996	1.3
354.12204	1.8
355.12985	1.5
402.18112	3.7
403.15604	0.9
405.17905	1.2
418.17899	5.0
446.17197	80.5
447.17566	4.2
478.19891	31.2
479.19638	1.4
490.16190	44.1
491.16293	2.3
522.18793	100.0
523.18866	5.5
554.21069	1.5
555.18298	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01382	70.5
61.98829	1.3
62.59131	0.8
63.80823	0.9
67.14485	1.0
67.84676	0.9
69.59299	1.6
69.59675	2.2
71.01384	18.4
73.02946	4.6
82.53008	1.0
82.99044	0.9
83.01382	2.9
84.04546	1.2
85.02946	3.8
87.00883	1.4
89.02443	12.5
95.01409	1.4
97.01682	1.1
101.02445	12.8
109.02960	1.0
110.02483	3.5
112.04052	21.9
113.02435	6.1
119.03522	4.8
122.06121	3.0
124.04045	13.6
137.02452	1.5
140.07205	4.8
163.11264	6.4
166.05106	46.7
181.05136	1.1
184.06165	31.2
191.02039	0.9
207.10289	13.4
208.06245	1.1
216.64510	0.9
226.07246	4.2
255.74236	1.0
256.08475	1.4
265.09436	1.0
286.09396	1.3
323.94061	0.9
369.15552	6.8
387.16617	100.0
388.16934	3.1
391.17868	1.0
392.17975	4.0
554.22424	92.0
555.22839	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74368	0.6
59.01382	2.5
61.98829	100.0
62.85042	0.5
69.33508	2.2
69.33924	1.3
71.01387	1.3
71.67982	0.5
76.15604	0.6
76.95988	0.7
77.30814	0.6
84.94421	0.5
85.02955	1.0
92.17091	0.6
99.49669	0.5
100.13000	0.6
101.02443	1.0
124.49168	0.6
147.06686	1.3
153.93338	0.5
168.28922	0.6
171.10280	1.5
178.48317	0.6
211.13461	2.0
229.14413	6.0
311.22476	0.8
329.23404	3.5
344.22977	0.7
375.28223	0.6
391.19861	0.7
405.14722	0.7
491.28604	28.6
492.29193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06733	0.7
58.62902	0.7
59.01375	1.9
61.98823	1.8
70.36301	1.7
71.01382	1.6
75.00860	1.9
78.95901	24.0
79.95736	1.0
80.96504	4.8
81.17939	0.8
85.02959	0.7
87.00869	2.1
91.68685	0.7
94.98072	1.6
99.00877	2.3
101.02433	3.3
111.00871	3.7
113.02423	1.1
125.42044	0.8
129.01891	2.3
131.03494	0.9
152.99600	3.0
159.02977	1.6
168.04298	3.6
224.06969	9.9
225.00819	0.9
242.07896	2.0
277.21637	1.7
279.23291	100.0
280.23730	3.4
350.94064	1.1
454.34024	0.9
472.35077	5.2
504.30957	84.9
505.31107	4.7
554.27264	9.1
554.35480	6.0
555.26715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.0
61.98824	1.6
65.99615	0.6
69.44345	1.6
69.44749	1.2
71.01376	1.4
78.95898	20.5
78.98589	1.2
79.95718	2.0
80.96513	14.3
85.00449	1.2
87.00881	1.2
94.98106	3.0
101.02472	0.6
101.30016	0.6
108.51214	0.6
111.00828	0.6
117.34354	0.6
120.20731	0.5
121.00240	0.6
129.01897	0.7
134.97604	0.8
143.68774	0.7
146.72726	0.5
148.99121	1.4
152.98517	1.0
152.99606	2.7
164.98598	2.2
168.04295	2.5
173.23793	0.5
184.28023	0.6
206.99681	0.7
224.06920	8.6
225.00681	4.5
241.21611	0.8
242.08070	1.8
255.23282	100.0
255.62929	0.6
256.23599	2.2
277.21683	0.7
480.30960	72.1
481.31290	2.7
554.26862	1.4
555.28394	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35611	0.1
57.03454	0.2
59.01377	4.2
61.98818	0.3
69.06979	1.2
71.01365	1.2
73.02940	0.3
83.01369	0.2
85.02947	0.7
89.02438	0.5
98.22688	0.4
101.02435	0.8
108.02164	0.3
109.02937	0.5
113.02429	0.4
116.92857	0.2
118.82927	0.2
134.03717	0.2
135.04553	0.2
151.03989	0.5
151.36137	0.2
161.04607	0.3
193.06560	0.2
211.13316	0.2
219.06563	0.4
221.06096	0.9
222.06856	0.8
232.05289	0.3
233.06126	0.3
245.06081	0.5
246.06871	0.3
246.62715	0.2
248.04805	0.9
249.05548	10.1
250.05879	0.2
251.03462	0.2
259.17209	0.2
260.04877	0.3
261.05496	0.6
262.06314	0.5
263.07047	2.2
264.07895	0.4
264.66129	0.2
265.05130	0.6
266.02142	0.2
274.06329	0.5
275.03702	0.3
275.07019	0.6
276.01764	0.2
276.04144	0.9
277.05020	11.3
278.05560	0.4
291.06644	3.0
291.18106	0.4
292.07303	1.4
293.04535	6.0
303.02988	1.0
304.03400	0.3
307.06049	0.7
307.09360	0.2
308.06714	0.3
309.04019	0.6
315.19708	0.2
318.05334	0.3
319.06158	0.3
320.03235	6.0
321.04004	9.0
333.20581	0.3
335.05591	18.7
336.06363	19.9
337.06781	0.5
345.17383	0.3
349.07336	0.3
350.07623	0.5
351.08710	100.0
352.08997	2.6
423.22653	0.4
445.74634	0.2
469.15076	0.3
513.20264	0.4
537.20050	0.2
555.14832	0.9
555.26422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34260	4.8
56.64959	4.5
59.01371	79.3
61.98822	12.0
69.86380	18.6
71.01382	38.3
73.02940	7.1
81.03477	11.0
85.02954	23.6
87.00909	5.6
89.02433	40.1
92.33650	5.3
95.01424	5.4
96.95993	8.2
99.00890	13.1
101.02451	28.0
103.94317	4.8
107.01381	10.5
109.02959	7.8
113.02435	17.3
114.05661	6.1
119.03501	8.9
121.02934	6.4
125.02461	20.3
128.03654	5.4
131.03516	7.7
147.04521	13.8
149.04564	18.3
151.00407	32.0
157.41631	6.2
175.03886	6.5
177.05441	6.8
191.05568	5.7
195.06625	18.0
251.05571	9.6
311.09851	6.2
333.05978	21.4
357.11874	15.2
393.14395	7.2
492.68488	6.9
505.64291	6.0
519.24506	58.7
524.73370	5.6
555.22070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.9
59.01379	31.8
61.98822	3.9
65.58126	0.8
71.01384	6.7
71.43636	0.9
73.02947	3.8
74.66338	0.9
75.00866	1.1
79.95767	1.1
82.95425	4.8
83.01388	1.7
83.36738	0.9
85.02945	4.6
87.00868	1.0
88.98859	1.0
89.02453	2.8
93.03467	3.1
95.04983	1.4
95.20699	0.9
96.96010	15.1
97.02988	1.0
98.37370	1.0
99.00888	1.3
99.92590	2.9
100.93381	1.8
101.02436	5.5
108.02150	4.9
109.02943	2.2
111.00899	1.1
113.02451	2.7
114.93403	3.6
115.92088	2.7
116.92872	24.7
116.93713	1.8
117.92835	1.3
119.03522	1.6
121.02962	6.9
122.03747	8.5
123.00875	1.4
123.04532	6.2
128.37910	0.9
130.18483	1.2
132.02177	2.1
133.02954	9.5
134.03735	3.8
135.04547	2.7
136.01697	1.7
136.05414	1.4
137.02502	1.4
145.03003	1.0
146.03741	4.3
147.04530	13.7
148.05252	2.3
149.02448	20.3
149.06075	5.4
150.03229	59.0
151.03975	3.5
152.01210	1.2
158.03763	4.0
159.04507	5.4
160.05318	12.9
161.04691	1.8
161.06088	7.8
162.03191	1.1
163.04044	1.9
164.04778	13.1
165.05565	52.0
167.03467	1.7
173.04604	1.8
173.06065	4.9
174.06810	1.4
175.04022	2.8
175.07617	12.9
176.04814	4.2
177.05580	6.9
178.06361	8.9
179.03517	1.0
179.05746	1.4
179.07112	7.2
180.04306	3.0
187.04120	0.9
191.05638	1.4
191.07178	2.3
192.07924	7.0
193.08716	1.4
195.06625	20.9
270.08990	1.6
284.10635	1.2
285.11389	2.8
296.10623	1.8
299.12958	1.3
315.12320	2.6
329.13928	30.5
333.20590	3.0
337.10760	1.0
401.16287	1.4
409.72195	1.0
413.16064	1.3
431.20856	1.0
432.15866	3.0
444.15396	1.0
447.18243	4.7
451.11359	1.2
451.23083	1.2
459.18088	1.8
477.19177	100.0
478.19550	5.4
479.19431	1.2
495.26157	5.8
507.20184	3.2
511.13049	1.1
525.21283	19.4
537.19806	1.2
555.11896	3.9
555.21692	3.5
555.29327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.22347	0.4
58.61970	0.4
59.01388	0.9
60.91393	0.5
63.96231	1.5
64.31877	0.6
64.96976	0.5
69.03458	1.0
69.17295	2.9
71.01013	0.7
71.01382	7.8
73.02948	2.4
73.96941	0.5
78.98587	6.2
79.95728	9.7
80.96516	71.0
81.03468	0.9
85.02512	0.4
85.02941	2.7
87.00872	2.5
94.98087	16.9
96.96023	0.9
97.02948	2.3
101.02435	3.5
106.98061	3.4
111.16101	0.5
113.02381	0.7
122.97588	4.7
125.02441	2.9
134.97604	5.0
136.99153	1.3
146.97664	0.5
148.99162	6.6
152.98630	8.6
155.81345	0.5
164.97252	1.0
164.98627	13.6
167.00160	0.5
170.77576	0.4
182.99706	1.6
188.98564	0.7
206.99667	3.3
225.00739	18.8
226.01155	0.5
243.01721	0.6
255.23291	3.8
299.04428	3.7
324.73441	0.5
393.33145	0.5
555.28406	100.0
556.28809	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32404	0.3
59.01379	1.3
61.98829	1.7
63.96247	0.6
69.03452	0.7
69.67220	0.6
69.67560	1.3
71.01384	6.5
73.02944	1.4
78.98595	4.6
79.95731	9.0
80.13808	0.5
80.96514	64.6
81.03490	0.5
85.00423	0.5
85.02961	3.1
87.00874	2.8
94.98085	14.1
96.95988	0.8
97.02953	1.9
98.03249	0.4
98.21964	0.8
99.00847	0.5
101.02425	2.0
106.98093	4.0
117.58312	0.6
122.97604	3.3
125.02455	3.5
127.04046	0.4
134.97597	4.1
136.99164	1.9
146.97562	0.7
148.99123	6.6
152.98640	6.4
164.98616	12.1
167.00284	0.5
206.99767	2.2
225.00735	18.1
243.93643	0.5
249.47292	0.4
249.49658	0.5
255.23291	1.6
287.59747	0.4
299.04440	3.4
355.26978	0.4
422.43777	0.4
442.76392	0.6
471.65439	0.5
555.28412	100.0
556.28638	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01378	100.0
69.87263	1.0
71.01382	1.3
73.02951	0.4
74.55652	0.4
75.00864	1.7
85.02946	0.5
86.36276	0.4
88.98775	0.5
89.02439	1.0
101.02426	1.0
103.00478	8.0
103.01494	85.8
113.02448	0.5
131.04614	0.5
141.01678	1.3
143.00047	0.4
149.04509	0.4
150.03101	0.4
171.27805	0.4
262.00528	0.4
402.28958	0.4
451.32413	0.5
507.20621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82656	4.6
56.89084	5.0
69.18987	27.2
71.01345	4.5
80.96508	39.3
85.00460	8.9
94.98085	5.8
98.21886	10.4
100.93327	8.4
102.74873	4.6
148.99153	5.7
157.06439	4.7
162.48749	5.1
164.98662	4.5
196.79175	4.5
277.21698	100.0
278.22153	4.5
282.62698	4.9
455.35519	8.3
501.06189	5.3
555.28302	89.0
556.28265	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.01388	5.0
61.98813	1.5
69.77144	1.8
71.01385	1.3
72.99289	1.3
73.02963	1.3
82.02971	4.5
83.01394	0.7
84.04549	1.2
85.02947	14.8
89.02428	0.8
98.22574	0.9
99.00872	2.3
100.04052	5.2
101.02452	5.2
101.06087	1.9
103.01482	2.8
103.04017	7.1
107.03730	1.2
109.04060	1.8
110.37272	0.7
122.06116	0.9
125.72829	0.7
127.05148	17.3
128.03542	41.9
138.48715	0.7
144.03024	100.0
145.06197	1.7
146.04610	2.2
147.06631	65.7
148.06950	1.2
150.05638	1.8
152.07149	1.0
157.90523	0.8
166.17021	0.7
198.20801	0.8
208.09680	1.0
229.08269	2.8
255.06137	4.1
273.07376	1.4
279.09851	43.4
340.12738	0.7
364.15121	2.8
372.11990	0.9
390.12979	14.1
408.14102	58.4
409.14426	1.7
483.78790	0.7
556.21442	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69627	0.5
59.01377	4.0
67.96464	0.5
69.13689	2.5
71.01385	3.1
73.02935	0.7
76.96430	0.6
85.02945	0.8
89.02454	2.8
92.26332	0.5
98.98181	0.5
101.02412	2.9
101.61364	0.6
113.02463	0.6
161.04549	1.2
212.51593	0.6
223.41135	0.6
235.08232	1.9
253.09285	17.9
277.21710	100.0
278.22003	4.1
496.93860	0.5
557.27454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
62.65677	1.0
70.36810	2.4
71.01393	1.5
73.02953	1.5
79.68414	0.9
89.02462	2.1
101.02448	2.5
102.13638	1.1
169.18404	1.0
169.80879	1.2
189.67302	1.0
253.09250	15.0
277.21710	100.0
278.22067	2.6
334.31870	1.1
378.23874	1.3
433.51709	1.1
495.79309	1.1
544.89276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
57.03437	2.9
59.01376	31.3
61.98826	12.1
67.13650	1.1
69.24812	2.0
69.25194	2.7
71.01378	100.0
72.55560	1.1
72.99303	1.4
73.02939	16.4
74.66141	1.0
75.00870	1.0
83.01371	7.2
84.02215	1.0
85.02946	15.7
87.00880	1.9
89.02442	4.3
95.01360	2.2
96.96011	5.4
98.21864	2.3
99.00868	4.3
101.02438	24.7
109.02843	0.8
111.00850	1.4
111.03030	0.9
113.02448	13.3
119.03490	1.1
119.52158	0.8
125.64643	1.0
143.03540	1.4
159.02980	1.6
161.04544	8.9
220.35408	1.1
224.71614	1.0
230.81850	1.2
337.07126	4.8
406.77841	1.1
497.26926	1.2
513.26813	2.3
557.04797	1.8
557.13019	26.6
557.29199	1.6
558.13263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01378	13.4
59.78156	0.5
61.98808	2.0
69.10835	4.1
71.01385	4.0
73.02937	1.7
85.02937	3.4
86.90874	0.6
89.02435	2.7
96.95998	0.6
99.00841	0.7
101.02458	3.0
113.02434	1.8
119.03529	1.2
125.02431	0.7
145.42157	0.5
155.91757	0.6
161.04506	1.0
193.06570	0.7
221.06364	1.8
222.03214	2.2
224.04732	0.6
233.06169	0.8
244.00171	1.0
249.05501	1.5
250.02832	1.0
250.06120	0.8
251.03453	1.1
251.07092	1.0
252.04173	2.6
259.02390	1.4
261.05441	0.8
262.06357	1.0
263.03555	1.3
264.04221	2.6
265.05170	0.7
277.05087	2.8
278.05865	1.6
279.02957	7.3
279.05933	1.2
280.03549	3.5
289.04980	1.4
291.03030	4.9
291.06128	1.0
292.03879	3.9
295.06073	2.2
305.04410	0.7
306.05295	1.4
307.02499	1.4
307.06027	1.6
308.03339	5.1
309.04041	2.9
317.04697	1.2
319.02536	4.8
319.05942	1.0
320.03241	4.4
321.03931	1.8
321.07578	0.7
325.06961	1.0
334.04846	1.7
335.01892	14.9
335.05646	4.4
336.02838	6.5
336.06293	1.5
337.03464	18.3
349.07092	2.8
351.04895	2.8
351.08786	2.6
352.09079	2.8
353.09424	5.7
362.04050	0.9
363.01437	2.5
364.02332	11.7
365.03018	18.1
379.04599	58.4
380.05359	48.9
381.05707	2.0
393.06064	2.0
394.06921	31.4
394.12106	1.5
395.07709	78.8
396.07825	1.6
497.27521	1.2
515.28802	0.7
557.12976	100.0
557.28546	4.0
558.13568	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54480	0.7
57.03456	1.3
58.00590	0.7
59.01378	25.6
61.98829	3.5
69.21786	3.9
71.01375	8.8
73.02972	2.7
81.59247	0.7
83.01412	1.7
85.02975	4.7
87.00914	2.5
89.02436	6.1
95.01451	1.0
101.02432	7.0
108.02172	0.8
113.02483	4.4
116.92848	0.9
119.03528	2.8
130.50998	0.7
161.04631	2.5
173.04523	0.9
179.05589	1.5
207.04730	0.9
219.04578	1.1
220.05354	1.6
221.06079	3.9
233.06143	1.1
235.03984	4.0
236.04829	2.0
237.05498	3.4
247.03966	1.1
248.04761	5.2
249.05554	11.1
250.06325	4.7
251.03616	0.8
261.05530	1.5
262.06351	1.1
263.03555	1.1
263.07166	4.2
264.04300	6.8
264.07947	3.1
265.05051	13.3
266.05881	2.0
275.03613	1.3
276.04233	1.6
277.05081	8.4
277.18060	2.6
278.02792	0.7
278.05621	1.4
279.03726	0.8
279.06500	3.4
279.13953	0.7
280.07397	2.5
281.08398	1.1
289.05008	1.8
290.05914	3.2
291.03107	2.5
291.06458	1.6
292.00482	1.5
292.03778	31.4
293.04547	17.5
305.04623	2.2
307.06137	33.5
307.09442	1.1
308.06879	23.5
311.09134	1.2
317.20981	1.3
318.05655	1.1
320.03238	2.6
321.04160	5.5
322.05188	1.2
322.08450	35.2
323.05453	1.4
323.09250	24.0
335.05579	8.9
336.06412	6.0
337.03485	1.6
337.07239	1.0
351.08737	100.0
352.09244	4.3
365.03003	1.7
380.05328	1.9
386.81815	1.1
395.07700	19.8
439.23306	6.3
440.23514	1.2
455.22879	3.0
466.02676	0.8
497.27521	1.9
542.10242	1.8
557.12952	83.8
557.30945	2.4
558.13147	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01375	7.9
61.98824	1.2
63.10498	0.3
67.14999	0.3
71.01370	2.4
73.02946	1.2
75.00876	0.3
83.01361	0.5
84.09916	0.3
84.93871	1.2
85.02948	0.9
87.00880	0.3
89.02429	1.4
93.03522	0.3
95.01384	0.3
96.95998	2.3
97.02956	0.3
98.21843	0.6
98.95592	1.3
99.00883	1.5
99.04528	0.5
99.92580	12.0
100.93356	10.4
101.02437	2.0
111.00879	0.7
113.02448	1.2
114.94954	0.4
115.92074	13.5
116.92856	100.0
117.92865	1.7
117.93644	0.7
119.03499	0.6
126.94961	0.3
127.07648	0.4
128.92889	0.5
140.92874	0.7
141.93643	0.4
142.94386	1.4
150.03204	0.9
156.92314	1.0
158.93906	1.0
159.03008	0.9
161.04564	0.7
165.05542	0.7
166.05888	0.4
169.93169	0.3
170.93898	0.4
173.92664	0.6
178.80423	0.3
179.05591	0.6
183.94702	0.6
184.91821	2.3
185.92613	0.4
195.06622	0.4
196.95499	0.7
242.96040	0.4
248.56400	0.3
259.96201	0.5
293.08478	0.4
305.86047	0.3
335.21176	0.4
345.96497	0.7
349.07117	0.8
365.82040	0.3
380.05408	0.4
395.07703	0.6
435.11240	1.1
439.23135	0.4
453.12195	4.0
471.13248	3.2
483.13275	0.5
495.13348	2.1
497.27225	0.6
509.21179	0.5
513.14270	7.6
514.39417	0.3
521.11359	1.0
556.28430	0.5
557.13245	25.9
557.26965	0.8
558.13513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21027	2.8
57.03464	3.7
58.14256	2.7
59.01381	100.0
59.16511	3.4
61.98827	5.7
63.12111	3.3
71.01384	28.8
71.16467	2.8
73.02951	10.7
73.60221	2.9
82.95420	29.0
83.01391	4.5
83.05025	4.4
85.02979	14.7
86.80536	3.4
87.00873	5.0
88.98818	4.8
89.02458	29.6
99.00867	3.8
99.04484	4.1
101.02451	18.9
112.72227	2.9
113.02447	14.7
116.92863	12.0
118.73244	2.9
119.03503	9.2
125.02441	3.4
136.01607	3.4
141.01683	5.6
144.02989	3.9
147.06622	4.4
150.06836	3.7
161.04634	4.2
171.07666	3.1
179.05629	9.2
314.11572	3.3
329.13751	4.7
341.13766	4.7
394.26056	5.5
395.26270	5.7
432.77362	3.5
491.19153	76.7
492.19373	3.2
497.27728	10.5
503.19254	56.3
521.20447	19.4
557.24432	7.9
557.33423	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2024
Annotation	Lanceocrepidiaside C
Peak:m/z	Relative Intensity
57.03455	0.3
59.01376	3.6
61.98835	0.6
69.03441	0.4
69.10926	1.6
71.01376	2.3
71.05020	0.8
73.02946	0.7
79.05532	0.9
81.03461	0.3
83.05020	0.6
85.02946	1.6
87.00838	0.3
89.02441	0.9
91.01894	0.3
93.03454	1.8
93.07090	0.4
95.01382	0.6
95.05003	1.1
97.02949	0.9
99.00897	0.2
100.93389	0.2
101.02434	1.5
105.03479	0.2
105.07069	0.2
106.04239	6.1
107.05026	22.0
108.02171	1.1
109.02927	0.3
111.04508	0.8
112.28093	0.2
113.02440	1.0
116.92880	0.5
119.03465	0.3
119.05032	1.0
121.02946	3.0
121.06577	1.7
123.04520	3.1
133.02953	4.4
133.06592	0.4
134.07355	0.4
135.08131	0.6
137.06094	0.5
143.08643	1.8
145.10301	0.3
147.08167	0.2
149.06136	0.3
149.08488	0.4
149.09706	6.2
151.04002	24.0
152.04385	0.2
157.10211	0.4
159.04330	0.2
159.08174	0.4
161.04532	0.7
161.09715	0.4
173.06009	0.5
173.09702	0.4
174.06851	0.5
175.07590	0.4
184.08934	0.6
185.09625	0.2
187.07643	1.0
187.11305	0.6
189.09175	0.4
189.12885	0.6
197.09718	0.4
199.11278	6.5
201.09239	0.4
201.12885	0.6
202.10034	0.8
215.10878	0.4
217.08820	0.3
217.12317	2.6
243.10294	1.3
245.11823	0.6
253.12372	0.3
261.11313	1.2
264.86877	0.2
278.05829	0.2
293.08292	0.2
307.17053	0.3
351.15903	0.5
352.09683	0.3
353.10101	0.5
366.07327	0.3
381.09769	1.0
383.50671	0.3
395.14972	100.0
396.15320	3.9
425.03421	0.2
497.27374	0.2
557.20343	3.5
557.28619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28220	1.0
57.03440	3.4
59.01379	57.2
60.01733	1.8
61.98834	7.8
69.03454	2.3
69.44294	4.5
70.11021	1.0
71.01384	19.0
73.02950	8.9
81.03471	1.3
83.01376	3.5
83.05039	2.5
85.02938	7.3
87.00896	1.7
89.02439	11.9
93.03467	5.4
95.01403	1.8
95.05032	1.1
96.96003	8.2
97.02983	1.1
99.00869	1.6
99.92550	3.3
100.92598	1.0
100.93348	1.9
101.02442	14.0
101.93415	1.5
108.02157	2.2
109.02920	6.4
110.89774	1.2
113.02454	12.3
115.14875	1.2
115.92093	3.3
116.92869	12.3
117.81413	1.1
117.92864	4.9
118.92678	4.4
119.03485	4.8
121.02950	24.3
121.03745	2.0
122.03745	24.4
123.04514	5.8
124.01672	1.4
125.02454	2.3
129.03464	2.2
132.02171	4.0
133.02957	17.5
134.03757	11.7
135.04532	3.6
136.05283	1.9
143.03447	1.4
145.02954	7.3
146.03743	4.5
147.04539	15.1
149.02448	29.9
149.06079	15.4
150.03227	74.3
151.03795	2.5
152.21626	1.3
159.04468	1.3
161.02444	1.9
161.04559	8.1
161.06088	5.8
162.03249	2.3
164.04791	9.2
165.05568	81.1
166.05980	1.7
173.04539	1.1
175.07597	1.4
177.05521	2.9
178.06229	1.3
179.05661	2.7
179.07144	9.3
180.04289	3.5
195.06624	25.1
217.07097	1.6
235.08212	5.4
243.17569	3.5
261.18591	2.7
270.09055	1.5
283.09879	1.2
293.04602	1.9
297.11230	1.5
297.67130	1.2
298.12085	1.4
299.12872	1.4
307.06079	1.1
315.12363	2.1
322.08478	1.9
329.13931	5.1
346.14273	8.6
347.14954	10.7
351.08798	3.6
353.23380	1.7
361.16550	59.3
362.16638	2.0
407.13815	1.3
415.17743	10.3
479.26434	1.7
497.27502	24.3
509.21786	100.0
510.22223	7.2
513.13593	1.4
515.28241	8.9
520.42938	1.2
521.21851	9.3
539.22864	8.1
557.12921	7.7
557.23102	12.3
565.72278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91840	0.4
55.01868	0.7
59.01377	3.3
62.32176	0.4
69.15260	2.9
71.01376	2.1
73.02947	0.5
78.95888	0.7
82.96099	0.8
83.01398	0.5
85.02969	0.6
89.02431	1.4
96.82595	0.5
101.02474	2.2
101.03058	0.6
109.02957	0.5
113.02456	0.9
161.04510	1.1
167.01073	0.5
235.08191	1.7
253.09290	13.6
279.23276	100.0
280.23587	3.2
338.07401	0.6
361.98883	0.6
386.18610	0.5
506.50528	0.5
515.32623	0.5
558.29102	1.0
568.29425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10337	0.5
59.01371	2.9
61.98161	0.5
61.98813	2.5
63.24179	0.7
66.25485	0.6
70.75099	0.7
70.75468	0.7
71.01366	2.3
78.95902	2.3
82.96095	0.9
89.02430	1.7
101.02427	2.3
119.03451	0.8
167.01123	1.9
208.02620	0.6
235.08192	1.6
253.09267	14.1
279.23279	100.0
280.23627	2.1
346.09451	0.6
468.21750	0.8
558.28577	3.2
559.18738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	51.7
61.98831	2.7
69.35465	0.8
69.35861	2.0
71.01376	1.8
72.99284	0.4
73.02961	2.4
85.02924	0.9
89.02419	1.0
96.96001	4.3
101.02444	2.3
113.02416	0.9
115.58569	0.4
116.92882	0.4
116.97289	0.9
119.03501	0.6
131.01372	0.8
141.01657	0.7
161.04558	0.7
175.00381	5.7
179.05640	0.8
180.56041	0.4
201.05565	0.8
227.03493	0.5
228.04272	1.3
233.08124	0.8
257.08188	100.0
258.08545	1.9
299.09116	0.8
304.49985	0.4
337.03180	0.4
359.11200	0.6
380.05209	1.0
381.05267	1.8
382.05927	1.2
395.07675	0.7
396.07724	1.7
397.08316	1.6
419.13425	3.6
479.15692	1.5
479.61182	0.5
499.29327	0.8
519.78656	0.5
558.52167	0.5
559.11578	9.8
559.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03423	2.5
58.00576	1.0
59.01377	89.9
60.96606	0.9
61.98523	1.2
61.98818	6.8
69.03436	1.4
70.45779	1.7
71.01379	39.5
72.99286	1.5
73.02943	10.1
74.59858	1.0
75.00849	1.4
78.52122	1.1
82.58774	1.0
83.01369	5.6
85.02947	14.0
87.00843	2.2
87.77850	1.0
89.02441	29.0
93.03458	2.8
95.01386	3.2
96.96009	6.7
97.02972	1.3
97.06572	1.0
99.00869	3.4
99.04550	1.0
101.02434	23.3
103.00375	1.3
107.01398	1.3
108.02193	1.5
109.02935	3.4
111.00854	2.8
113.02438	17.1
116.92870	1.5
116.97227	1.6
119.03496	12.3
125.02384	2.1
129.01881	1.0
131.03513	2.5
141.01703	4.6
143.03502	2.1
149.04546	1.8
150.03307	1.3
151.00365	2.5
161.02367	1.0
161.04596	4.9
165.05490	1.2
169.01353	1.0
173.04501	3.5
179.05620	5.3
181.87411	1.1
185.01108	1.0
187.11197	1.2
191.05609	9.1
221.06314	2.0
237.08833	0.9
245.73615	1.0
248.04358	0.9
249.05556	2.3
250.06282	2.5
251.07149	1.5
263.07120	1.6
265.04996	2.6
266.05716	1.5
267.06729	1.4
276.04285	2.1
277.04987	2.3
278.05753	1.2
279.06555	3.7
281.08154	1.6
283.06229	1.2
290.05988	1.1
291.06656	2.4
292.04218	1.1
292.07440	1.1
293.04498	2.9
293.08212	1.6
294.05307	3.8
294.08627	1.3
295.06223	2.4
295.09628	1.9
305.04504	1.5
307.06097	2.7
308.06769	1.0
309.07651	9.9
310.08463	6.4
321.04028	1.6
321.07654	1.9
322.08359	2.4
323.09061	1.4
324.09900	8.1
325.07318	1.8
325.10791	17.5
335.05511	1.4
336.06201	1.4
337.07184	5.8
337.10800	1.2
338.07849	3.0
351.08307	1.6
352.09576	6.4
353.06570	3.3
353.10339	24.9
361.07114	2.1
367.07953	1.8
379.08231	15.2
486.15222	2.0
499.29007	9.0
500.45181	1.2
501.62427	1.3
511.22873	1.4
515.15546	100.0
516.15869	5.2
541.13245	2.2
559.14447	48.2
559.28143	3.7
560.14667	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01382	4.3
61.98832	19.7
63.96243	0.9
65.58376	0.3
69.03462	0.6
71.01385	7.6
71.44163	0.3
72.99310	0.4
73.02946	1.9
78.98596	4.8
79.95734	7.3
80.96520	53.6
81.03465	0.7
83.01406	0.4
83.07050	0.3
84.95120	1.1
85.02956	3.1
87.00886	2.1
89.02449	1.1
94.98087	12.2
96.96011	1.5
97.02937	1.4
99.00866	1.0
99.04530	0.4
101.02450	2.4
106.98093	2.7
113.02441	1.4
119.03495	0.5
120.33199	0.3
122.97592	3.0
125.02429	2.2
127.04023	0.9
134.03751	1.5
134.97589	3.4
136.99133	1.2
148.97990	0.4
148.99147	4.6
152.98624	4.0
160.01674	1.2
161.04520	0.4
164.98634	9.8
167.00183	0.3
171.46753	0.3
175.04054	1.9
191.05661	0.5
193.05083	1.2
206.99677	2.5
209.11798	2.5
223.13297	0.5
223.92673	0.3
225.00768	17.0
299.04498	2.8
337.09363	0.5
353.06805	0.4
384.05170	0.3
420.79321	0.3
527.18048	4.8
528.19244	0.4
559.20660	100.0
560.20905	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81454	1.0
56.01451	0.9
59.01349	1.1
61.98822	3.2
63.44147	1.1
69.70242	2.8
69.70564	1.1
71.48985	1.2
73.41946	0.9
76.35586	1.1
78.95903	33.5
83.12463	1.0
84.88789	0.9
96.96042	1.3
129.10498	1.0
135.04539	1.7
144.88947	1.2
152.99580	7.3
168.04298	2.2
171.00691	2.4
179.03526	1.4
205.38896	1.1
224.06909	9.4
242.08110	2.5
255.52528	1.0
270.01608	1.1
277.21729	91.3
278.21988	3.4
339.84885	1.3
379.47205	1.2
474.26309	5.6
502.29364	100.0
503.29932	5.1
559.31683	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22173	3.0
59.01357	4.7
61.98833	7.4
62.10252	3.0
62.89487	3.2
63.06944	3.1
69.75782	8.2
75.04586	3.0
78.95898	64.2
80.23329	3.9
83.34148	3.7
87.56665	3.9
98.22634	3.9
103.01485	3.2
130.12125	4.0
152.98509	3.3
152.99547	21.3
168.04326	30.5
170.79915	3.4
171.00639	8.5
221.71866	3.6
224.06891	10.5
227.72073	3.5
242.07982	99.5
277.21716	38.6
280.23676	6.4
477.28012	6.9
502.29318	100.0
502.36783	4.8
559.28241	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23319	0.3
58.72534	0.3
59.01373	1.1
61.98828	100.0
71.01379	0.6
73.02951	0.3
85.02963	0.9
89.02492	0.3
97.02968	0.5
98.54900	0.3
101.02440	0.4
108.02181	1.8
109.02946	6.1
111.00893	1.1
125.02452	0.3
137.02411	0.6
144.16887	0.3
152.01161	0.7
153.01932	5.8
163.04126	0.5
175.04028	0.7
177.05542	0.3
181.05135	0.3
193.05042	0.5
217.26241	0.3
221.04538	4.1
256.12674	0.3
335.07800	0.9
497.13010	20.0
498.13589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
59.83862	0.9
69.15017	5.9
71.01379	2.0
78.95897	2.6
89.02431	2.6
94.36049	0.9
98.21869	1.8
101.02454	1.9
161.04529	1.0
187.53981	0.9
201.34053	0.9
217.85368	1.0
235.08141	1.8
253.09273	12.2
281.24860	100.0
282.25143	3.5
339.64377	1.1
444.39197	1.1
497.47562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34267	0.8
54.10773	0.8
55.01875	0.9
56.07610	0.8
57.03453	4.3
59.01380	100.0
59.35721	0.8
61.98822	2.4
67.01888	2.1
69.03465	1.7
69.55421	2.9
71.01382	25.2
72.21333	0.9
72.99319	1.8
73.02946	61.3
74.02492	1.1
81.03460	1.4
83.01389	11.8
85.02949	9.7
87.00876	3.7
89.02448	12.7
93.03462	11.1
95.01396	2.0
96.96004	1.6
97.02948	1.2
99.00873	2.7
99.04533	2.2
101.02446	43.2
108.02195	5.4
109.02927	1.7
111.04520	1.6
113.02446	15.2
119.03538	4.5
121.02924	4.2
122.03760	1.4
123.04544	4.1
125.02442	2.7
127.04005	1.3
128.03566	6.8
131.03517	4.2
132.02194	1.7
133.02925	5.8
134.03720	1.8
135.04543	2.5
136.01657	41.0
137.02434	1.2
143.03505	4.2
143.04645	2.2
145.01431	3.3
149.04582	9.2
151.04012	59.9
155.03534	1.4
159.04561	1.1
160.01683	4.6
160.05304	1.4
161.02475	6.7
161.04561	14.0
162.03230	1.0
163.03947	1.2
173.04576	3.6
174.03278	1.2
175.04028	1.4
175.07620	1.3
177.01909	1.5
177.05426	1.5
179.03453	2.3
179.05785	1.0
183.62160	1.1
188.04776	2.2
191.05620	44.3
194.15611	0.8
203.05496	1.5
203.07127	5.5
210.08806	1.1
215.05612	2.9
221.06636	3.5
223.13455	3.0
254.07652	1.6
261.05615	1.8
263.07361	1.7
267.12360	3.4
271.58813	0.8
278.09314	1.3
279.06641	3.1
281.08215	1.2
291.06647	1.6
293.08725	0.9
294.08926	2.4
306.07977	2.9
309.07779	2.0
309.11081	8.5
314.04413	1.6
321.11435	1.4
339.12360	12.7
342.11005	3.5
351.07361	5.2
357.13452	52.8
358.13712	1.9
369.09799	10.0
369.13980	1.9
370.10098	1.2
381.13327	2.2
401.12976	1.0
435.12085	4.3
477.10312	4.1
501.18265	1.0
512.09686	0.9
543.18890	3.1
561.15393	2.3
561.22369	2.1
561.29224	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
59.01378	100.0
61.98827	1.7
64.63333	0.7
68.65575	0.7
70.07854	0.6
71.01380	22.4
71.05025	1.0
72.99292	0.9
73.02945	12.9
83.01397	2.9
83.05045	1.1
84.09605	0.7
85.02958	5.2
87.00894	3.0
88.98794	1.0
89.02444	36.8
95.01414	1.5
97.03003	1.1
97.06589	1.1
98.99250	0.8
98.99882	0.7
99.00880	10.6
101.02441	18.9
105.31496	0.7
107.05012	1.8
112.67776	0.8
113.02451	7.8
116.92805	0.9
119.03522	2.2
120.05782	1.1
125.02427	4.3
131.03496	6.0
135.04556	1.5
136.01649	1.8
143.03513	1.1
149.04556	15.7
151.04054	2.6
161.04607	2.2
161.09720	3.7
161.13390	1.9
163.11354	0.9
165.07985	0.8
173.78343	0.7
184.15588	0.8
187.11299	4.0
189.09244	1.5
191.05627	4.8
197.28708	0.8
203.07172	0.9
205.12509	2.1
207.10324	2.8
221.06767	1.1
223.13406	57.8
224.13824	1.4
229.14491	2.6
231.10114	0.9
249.11296	3.5
251.07816	1.5
256.04898	0.7
267.12372	93.6
268.12811	3.0
269.04456	3.6
275.07870	1.4
291.12451	1.1
293.08835	1.3
309.13690	0.9
314.04526	0.9
339.12326	1.1
357.13644	2.2
411.07425	1.3
477.10706	3.3
501.19455	1.0
561.21716	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
58.65937	0.9
59.01375	89.5
61.98825	1.5
69.59763	1.9
69.60155	1.6
71.01379	21.9
71.05015	1.1
73.02954	7.7
79.52484	1.0
83.01395	1.1
83.05033	2.3
85.02938	3.0
87.00856	2.5
88.98789	1.3
89.02438	37.1
94.36607	1.0
97.02982	1.4
99.00887	12.4
101.02441	14.5
107.05000	2.3
113.02445	3.7
119.03613	1.6
125.02422	3.4
131.03490	3.8
146.49330	0.9
149.03360	1.0
149.04555	19.3
161.04546	2.1
161.09735	2.7
161.13364	2.9
185.68060	1.0
187.11234	5.6
189.09186	2.2
191.05640	6.6
205.12294	3.9
207.10178	3.0
221.06578	1.5
223.13376	54.9
224.13748	1.5
227.88701	0.9
228.83493	1.1
242.81459	1.1
249.11304	5.3
251.07616	1.6
267.12357	100.0
268.06982	1.2
268.12668	3.2
293.08893	1.2
309.07761	1.5
311.09909	1.2
327.12375	3.6
339.12292	1.7
481.24619	1.1
501.19257	1.6
523.21759	3.0
561.21796	20.0
562.21649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
57.03446	6.3
58.00587	1.4
59.01377	100.0
60.01707	0.5
61.98827	8.0
69.03454	2.0
71.01379	89.2
71.43651	0.6
72.80039	0.6
72.99297	4.1
73.02942	25.6
75.00880	1.6
81.03458	0.6
83.01377	10.7
85.02948	35.8
87.00867	6.7
87.72455	0.6
89.02442	59.9
89.88544	0.5
93.03448	0.8
95.01374	6.5
96.31764	0.5
96.96033	0.8
97.02943	3.2
99.00880	8.0
99.04516	1.0
101.02442	74.6
102.02765	0.6
111.00858	2.6
113.02450	38.4
115.03919	0.9
117.03450	1.1
119.03501	27.4
123.98197	0.5
125.02439	5.5
129.01888	1.9
131.03493	5.1
132.02182	9.8
133.02936	1.0
134.03743	22.0
135.04410	0.9
136.05290	0.7
138.06882	0.7
143.02557	0.7
143.03505	8.5
147.04472	0.9
147.68063	0.5
148.05212	0.7
149.04488	2.0
149.06041	3.1
152.08339	1.3
152.42999	0.5
153.09125	2.2
159.02966	4.1
160.01656	51.1
161.04558	28.0
161.09663	0.7
171.10245	0.6
173.04541	1.4
175.03998	54.5
176.04492	2.4
179.05609	25.4
190.30467	0.6
191.05495	1.2
191.07043	2.5
193.05042	21.3
205.12369	3.5
207.06442	0.9
221.04630	0.6
221.06610	8.7
221.52409	0.6
223.13396	0.8
235.06070	5.7
245.06456	0.7
253.09065	0.6
263.07443	2.4
267.11923	0.6
295.08051	1.1
307.24854	0.6
323.09573	1.2
324.83368	0.6
325.19855	1.5
329.32733	0.6
337.09091	1.6
343.15204	1.1
364.58359	0.8
367.66006	0.7
399.23840	61.1
399.31491	1.9
400.23572	1.7
427.70413	0.6
441.24545	1.4
561.22241	52.9
561.28442	57.7
561.41669	2.5
562.22302	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.33206	1.5
61.98834	5.6
66.52436	1.8
69.19370	6.0
69.19775	3.7
71.01385	42.2
72.99317	2.4
73.02950	25.4
82.95396	1.7
85.02988	9.4
85.03442	2.4
87.00867	3.8
88.98826	3.7
89.02448	79.3
93.56780	1.7
96.96024	3.7
97.02962	1.6
98.95564	1.5
99.00886	28.8
101.02452	42.7
103.03986	2.2
113.02467	7.6
119.03517	3.3
121.03012	1.9
125.02435	5.3
131.03513	14.5
134.03827	2.6
143.03511	4.5
149.04556	71.6
160.01672	2.0
161.04567	6.3
163.06169	16.5
165.05440	1.8
175.04007	4.9
187.11253	1.9
191.05640	15.8
205.07146	2.3
211.32222	1.8
221.06676	8.5
223.13423	12.6
237.56538	1.8
247.17130	1.6
251.07654	5.1
257.79074	1.5
263.07159	1.9
267.12399	24.1
269.08139	2.1
279.06430	2.1
281.08566	2.7
293.08768	4.6
294.08838	2.7
297.07785	5.1
309.07681	7.7
309.11288	4.3
309.50464	2.1
311.09860	4.8
312.10004	6.6
324.10239	4.3
327.12329	16.2
339.12323	12.6
375.85165	1.9
391.07773	2.0
452.42975	2.3
487.38174	1.7
509.34064	1.7
523.21320	3.3
561.22571	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19623	1.2
57.03452	1.4
57.99798	1.2
59.01379	100.0
61.98830	3.8
70.10531	3.4
71.01379	40.7
72.99288	1.7
73.02943	15.4
85.02937	6.2
87.00893	1.7
89.02445	87.6
89.65219	1.1
97.02969	1.8
99.00874	23.8
101.02438	29.0
107.05019	2.0
111.00954	1.3
113.02457	7.4
119.03484	2.8
125.02451	5.1
126.90395	1.9
131.03490	13.6
143.03467	3.2
149.04555	55.8
161.04555	4.9
161.09729	2.3
161.13264	1.3
171.70203	1.1
187.11234	6.2
189.09172	1.9
191.05629	14.5
205.12367	1.6
221.06674	5.7
223.13388	39.5
224.13715	2.1
249.11319	3.6
251.07756	4.6
267.09497	2.6
267.12369	50.2
268.12836	1.2
281.08530	1.3
293.08701	3.2
311.09821	3.8
378.51596	1.2
464.84958	1.2
561.21722	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
57.81138	1.8
59.01377	100.0
61.98825	12.0
69.41380	2.8
69.41757	2.5
71.01382	39.8
72.99299	2.5
73.02944	21.4
85.02956	12.1
87.00888	4.2
87.04498	2.3
88.98833	3.6
89.02444	65.9
93.03441	2.3
96.95984	7.2
97.02912	3.4
99.00870	17.7
101.02450	38.5
103.04044	4.3
111.00881	2.6
113.02447	9.6
114.82890	1.9
115.04000	3.5
119.03484	6.6
121.02962	2.7
125.02438	5.7
131.03482	11.1
131.48715	2.0
132.02226	2.3
134.03723	2.8
143.03513	2.3
147.04500	2.2
148.99263	2.4
149.04550	44.0
159.03059	2.3
160.01628	7.9
161.04564	4.5
161.09712	3.0
163.06137	21.3
165.01891	2.1
165.05553	2.7
173.04509	3.8
175.03998	11.5
187.11316	4.5
190.19005	1.8
191.01868	2.6
191.05644	13.4
193.04941	4.3
205.07127	2.2
221.06613	4.2
223.13412	14.6
229.16286	2.0
251.07126	2.8
265.09113	2.1
267.12354	20.4
269.08154	2.6
279.06656	4.5
281.08340	3.2
293.08368	3.5
294.08954	4.2
297.07648	9.8
309.07626	18.1
309.11334	5.6
311.09628	3.6
312.09958	10.1
324.10083	7.1
327.12344	32.2
328.12695	3.2
339.12302	24.7
387.14026	2.0
388.06558	2.0
561.23547	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28473	0.5
55.01881	4.5
57.03452	4.6
58.00595	1.4
59.01377	100.0
61.98828	5.9
67.01875	0.6
69.03479	1.0
71.01378	79.2
71.44372	0.6
72.06460	0.5
72.99301	2.6
73.02944	24.1
75.00883	1.9
81.03455	0.9
83.01383	9.7
83.01881	0.6
84.02167	0.7
85.02944	30.0
85.87097	0.6
87.00869	4.4
89.02441	54.5
93.03452	1.2
95.01379	5.6
97.02939	2.9
99.00875	7.1
99.04580	0.7
101.02439	71.8
111.00897	2.8
113.02446	34.8
115.04002	0.8
115.86217	0.5
116.97271	1.2
117.03525	0.6
119.03500	27.8
125.02428	5.4
129.01962	1.5
131.03487	4.2
132.02173	3.3
133.02980	1.0
134.03738	8.5
143.03497	8.5
149.04614	2.6
149.06129	1.0
153.09285	0.8
156.39349	0.6
159.02971	4.1
160.01649	17.4
161.02486	1.1
161.04564	25.1
171.18835	0.6
173.04668	0.6
175.04002	19.4
176.04755	0.6
179.05612	26.3
180.06029	0.6
191.05670	1.2
191.07204	1.2
193.05038	7.0
199.68944	0.6
205.12430	0.8
221.06660	6.9
233.06654	0.8
235.06230	1.8
245.06728	0.9
263.07886	2.1
268.67627	0.6
295.08392	1.0
323.09726	1.4
325.20551	2.0
339.12531	1.0
399.23840	52.4
400.24609	1.8
441.24783	0.9
501.31223	1.0
561.23706	7.4
561.29907	60.5
562.30383	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01877	3.5
57.03447	4.2
58.00584	1.0
59.01377	52.8
61.98830	1.5
68.99809	0.5
69.03466	0.4
69.07345	1.2
69.07774	1.5
71.01379	48.3
72.01723	0.6
72.99313	1.3
73.02943	13.6
75.00871	1.1
83.01389	6.4
84.02203	0.4
85.02950	21.8
86.00116	0.5
87.00871	2.4
89.02443	23.0
95.01379	4.2
97.02983	0.8
99.00875	5.3
99.04517	0.9
101.02440	33.1
102.02789	0.5
108.02176	0.4
109.02967	0.7
111.00896	2.2
113.02447	18.0
119.03496	9.5
123.04472	0.4
125.02448	1.8
129.01935	2.8
131.03531	1.0
131.72710	0.4
134.03848	0.5
143.03496	2.0
149.04591	1.1
152.01131	0.9
159.03021	3.0
160.01660	0.5
161.04556	9.1
179.05594	2.5
191.01877	0.4
191.05646	0.7
193.05011	0.4
223.13582	0.4
267.12491	0.6
357.09714	1.7
357.32767	0.4
399.23853	22.3
400.24146	1.1
479.73959	0.4
501.30621	0.6
543.27557	0.4
561.29114	100.0
562.29608	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05809	0.8
61.98798	1.9
69.59502	4.3
77.72914	0.9
78.95896	9.7
96.14404	1.0
112.88658	0.9
123.91783	0.9
125.03416	1.0
138.75705	0.9
152.99599	5.5
168.04222	1.0
171.00670	1.2
220.76920	0.9
223.90063	0.9
229.53244	1.0
242.07950	3.0
279.23288	100.0
280.23538	1.8
300.52356	1.0
476.27734	2.2
504.30917	46.0
505.31345	1.9
561.33722	1.9
561.41351	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22796	0.5
59.01387	0.8
61.98824	0.7
70.10168	1.5
78.95901	19.3
84.32185	0.6
110.85617	0.6
152.99583	5.7
168.04303	2.3
224.06926	7.9
233.78458	0.6
242.07964	1.4
279.23288	100.0
280.23669	4.1
339.40646	0.7
371.99539	0.6
401.71661	0.6
449.69922	0.5
476.27719	1.4
504.30948	92.9
505.31308	5.3
529.43134	0.6
561.32990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73416	0.2
59.01374	0.8
61.98828	100.0
63.68472	0.2
69.71918	0.8
71.01380	1.1
72.99322	0.3
85.02950	0.5
87.00895	0.3
98.21930	0.3
99.00887	0.4
101.02460	0.3
109.02991	0.3
113.02439	0.4
115.00367	0.8
117.74258	0.2
117.75107	0.2
135.04601	0.3
149.06111	1.3
154.03413	0.3
161.02412	1.5
163.76151	0.2
175.02512	1.4
175.03902	0.3
177.01968	0.9
179.03596	0.3
190.09537	0.2
190.65636	0.2
193.05064	1.2
215.03474	0.3
219.03018	0.8
233.04564	0.7
237.04050	1.6
275.05624	0.3
277.03580	0.6
293.06720	0.3
319.04651	0.3
337.05453	4.5
455.11813	0.3
459.09201	0.4
499.10910	12.8
500.11572	0.6
562.10394	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36246	18.2
56.27716	15.7
59.01360	49.4
61.30441	16.9
62.87318	16.3
71.01362	29.8
80.66867	16.6
85.02952	23.1
89.02467	24.8
96.55814	15.9
96.96014	96.6
98.21823	30.4
98.70157	17.6
122.75413	15.0
258.90085	15.3
297.07626	27.6
309.07611	33.1
312.09964	20.8
327.12277	100.0
338.77646	17.1
339.12289	72.9
438.83157	15.5
484.52762	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63913	2.9
59.01375	100.0
61.98817	11.4
64.24834	2.5
66.60140	3.1
69.45992	2.8
70.96114	5.0
71.01010	4.7
71.01381	57.9
73.02946	13.9
83.01355	6.1
83.21460	2.4
85.02950	13.3
87.00853	4.6
89.02439	74.1
96.96020	5.0
101.02431	31.6
111.00889	4.4
113.02420	27.1
119.03521	33.2
121.02969	4.3
131.03427	3.6
134.74466	2.5
136.01663	10.6
143.03523	3.8
145.08748	6.6
149.04501	5.4
151.04065	14.7
161.04524	10.2
161.80539	2.9
169.86026	2.5
173.04428	3.1
179.03346	2.6
179.05595	24.2
185.20155	2.5
191.05553	5.3
200.31300	3.1
253.08594	4.4
262.11752	2.9
263.07108	7.5
281.08224	19.2
291.06552	5.6
293.08148	7.0
296.10373	7.2
308.10306	5.9
309.07678	70.9
310.08252	3.5
323.09109	8.1
324.10028	50.4
339.08334	5.8
339.12326	86.9
341.13898	14.4
357.13376	20.6
503.25061	10.2
563.23535	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98825	6.1
71.01385	57.2
71.42151	2.9
73.02939	13.4
76.72791	2.7
83.01405	5.3
85.02947	18.1
87.00883	4.0
89.02448	88.2
95.01413	2.8
96.96008	7.4
99.08154	3.5
101.02441	34.8
113.02446	31.0
119.03517	33.3
124.87564	2.6
131.03522	6.6
135.04486	2.7
135.13005	2.5
136.01651	8.4
143.03508	11.1
145.08720	10.7
146.09045	3.5
149.04539	6.8
151.04015	14.3
161.04573	9.7
179.05640	28.7
180.12842	2.7
191.05710	4.6
221.06319	2.9
253.08737	5.0
263.07181	13.1
266.84558	2.9
269.04440	3.6
280.07462	2.4
281.08182	20.7
291.06616	5.7
293.08270	5.3
296.10464	5.3
308.10547	5.2
309.07684	75.0
323.09274	4.8
324.10031	58.5
325.10168	2.8
339.08377	4.5
339.12335	82.6
340.12735	6.9
341.13864	7.0
342.11002	2.9
357.13348	20.9
488.60944	2.9
503.18646	5.4
503.25107	9.6
563.22968	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56639	0.7
53.35715	0.4
53.53121	0.5
54.08711	0.5
59.01360	0.6
59.86707	0.5
61.98827	2.4
67.00721	0.5
71.41997	0.7
78.95942	0.5
80.96496	1.5
117.28348	0.6
120.02164	2.5
121.02953	100.0
122.03278	1.6
129.91010	0.5
179.03494	89.7
180.03821	1.6
181.06531	2.8
197.06142	1.3
215.71617	0.5
225.05571	1.7
255.06657	1.3
265.04990	0.9
313.07153	2.2
357.06097	1.6
371.07919	0.7
381.43744	0.6
383.07443	1.4
399.08484	0.9
431.11404	0.7
475.10321	5.1
563.12207	2.9
563.25287	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
57.03423	0.9
59.01376	24.8
62.25845	0.7
67.96905	0.7
69.03417	1.5
69.47265	0.8
71.01379	26.9
71.04984	0.7
72.56242	0.7
72.99285	1.3
73.02950	12.7
75.00816	2.3
79.01868	0.8
81.03419	1.6
83.01388	4.0
85.02944	8.9
87.00831	1.3
89.02442	26.1
93.03433	1.7
95.01339	1.9
97.02966	5.6
98.22118	3.9
99.00880	18.8
99.04472	2.4
101.02440	23.6
111.00817	1.1
113.02460	6.9
114.31886	0.7
114.83540	0.7
115.03304	0.7
115.03996	6.8
117.03466	5.0
117.05464	0.7
119.03461	1.5
119.04974	1.1
125.02454	8.9
129.01863	1.0
131.03503	4.7
135.04453	1.7
143.03401	2.6
147.04449	1.0
149.02423	0.9
149.04552	18.4
151.04001	0.7
159.06439	0.9
161.02335	2.3
161.04564	3.7
161.05626	0.8
161.08173	5.4
163.03889	0.7
173.04451	0.9
175.03918	1.2
177.01830	0.8
177.05443	0.9
189.01756	0.8
191.03763	1.1
191.05597	8.9
193.04958	1.0
203.03392	1.1
221.06471	1.5
233.06642	7.1
251.07483	1.7
267.06378	1.1
269.10141	1.8
275.07758	0.8
279.06549	0.8
281.04172	0.7
282.05075	2.2
283.05881	3.2
286.04065	0.8
293.08966	3.3
295.06152	5.3
296.06931	3.5
297.07666	17.8
307.05780	2.6
309.07407	3.0
311.05347	2.6
313.82343	0.7
322.04807	0.9
323.05627	3.4
324.06216	1.5
325.03665	0.7
325.07129	8.3
328.05615	1.3
335.05258	0.9
337.06784	2.5
341.06451	1.0
353.06638	38.0
354.06741	1.9
355.08060	1.7
365.02798	0.7
365.06534	6.0
379.07880	1.1
383.07706	27.1
384.07730	1.4
395.07169	2.9
401.14182	1.2
407.07657	0.8
413.08377	2.1
425.08240	2.4
431.15567	7.7
443.09723	6.0
473.10803	5.3
503.11688	1.4
531.90796	0.8
545.12305	1.0
563.13287	100.0
564.13586	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
71.01381	0.6
71.06510	0.7
71.69763	0.4
73.96237	0.4
80.95098	0.4
85.02924	0.8
90.06125	0.4
93.03459	1.2
95.01411	0.4
117.03494	4.0
118.77281	0.4
119.05014	0.7
130.63048	0.4
135.04507	2.0
147.04530	0.6
149.02446	1.4
161.02437	1.6
161.06094	0.6
163.03998	1.9
175.03975	1.3
177.05592	1.1
179.03568	0.5
189.01952	0.9
189.05428	0.6
191.03514	2.3
197.06111	0.5
203.03564	1.7
205.05003	0.7
211.07507	0.5
221.04604	1.0
233.04565	1.3
236.71104	0.4
253.08618	0.4
267.06610	0.8
268.07510	0.8
281.04584	0.7
282.05319	1.8
283.06149	3.3
295.06131	3.9
296.06860	3.4
297.07697	12.9
307.05954	2.2
309.07660	2.2
311.05566	1.9
323.05640	3.0
324.06448	0.8
325.07132	5.9
328.05817	1.2
335.05603	2.4
337.07208	2.2
353.06653	29.1
354.07068	1.0
355.08249	0.8
365.06561	3.5
383.07724	21.4
384.07800	1.2
395.07886	2.3
407.08032	0.6
413.08795	3.6
425.08621	1.3
443.09839	5.5
455.09891	1.2
473.10843	5.9
503.11765	0.8
545.12885	0.7
563.14020	100.0
564.14502	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
60.36786	0.6
61.98845	0.7
69.32403	1.1
69.32792	2.1
71.01382	4.0
73.02926	1.2
85.02959	5.4
86.60969	0.6
87.00840	0.7
88.98752	0.8
89.02442	2.6
93.03447	1.1
96.95995	2.2
98.23791	0.6
99.00848	0.9
99.50689	0.6
101.02439	2.0
103.05188	0.7
117.03456	5.1
119.05050	1.1
129.01941	0.8
135.04471	2.5
146.03740	0.9
147.04518	2.0
149.04482	0.7
157.32129	0.8
159.04472	0.6
161.02422	2.1
161.06084	1.0
163.04033	1.1
165.05475	0.8
173.04494	1.1
175.03957	1.1
177.01909	0.9
177.05608	1.2
179.03391	0.7
191.01927	4.3
191.03479	1.1
203.03519	1.9
205.05157	0.9
209.03023	2.9
221.08395	0.7
224.06880	2.3
225.09195	1.0
239.09215	2.0
267.06656	0.8
268.07300	1.2
282.05258	1.5
283.06061	2.7
295.06143	3.1
296.06876	3.4
297.07684	12.6
306.65710	0.7
307.06473	1.5
309.07709	2.2
311.05649	3.2
323.05551	2.7
324.06531	1.1
325.07178	7.9
328.05872	1.6
335.05527	1.1
337.07114	3.0
340.87759	0.7
353.06644	34.3
354.07022	1.6
355.08002	1.3
365.06711	4.4
383.07709	19.4
384.07690	1.1
395.07642	2.6
401.14325	2.4
413.08777	2.5
425.08218	0.9
443.09854	9.1
462.94412	0.7
473.10638	6.0
503.12231	0.9
563.14020	100.0
564.14240	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76624	0.6
71.01388	0.8
71.62280	0.6
93.03452	1.1
95.01410	0.6
117.03456	4.6
119.05061	0.7
129.54285	0.6
135.04482	2.4
136.63760	0.6
141.00641	0.6
149.02382	1.1
159.17914	0.6
161.02426	2.4
163.03940	1.2
175.03992	1.7
177.05620	1.0
179.03479	1.0
183.76898	0.7
183.78566	0.7
191.03448	1.9
195.28648	0.7
197.06189	0.8
203.03616	1.5
205.05127	0.7
221.75867	0.6
268.07111	0.9
281.04590	0.7
282.05292	2.0
283.06134	3.9
295.06107	4.8
296.06909	4.6
297.07666	17.4
298.07938	0.9
307.06122	2.6
309.07632	3.0
311.05496	3.4
323.05630	3.1
324.06207	1.4
325.07089	8.6
328.05759	2.1
335.05533	1.2
337.07001	2.8
351.05002	0.7
353.06635	39.2
354.06903	0.8
355.08636	0.7
365.06622	6.3
379.08472	0.8
383.07724	25.4
384.08237	1.0
395.07614	2.5
407.07523	0.8
413.08801	3.2
425.08572	1.3
443.09885	6.5
473.10764	6.2
503.11719	1.2
545.13000	0.8
563.14020	100.0
564.14301	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70203	0.2
59.01380	2.2
59.79681	0.2
61.98826	0.8
63.02390	1.5
64.59531	0.2
65.00339	0.6
66.03027	0.2
69.12819	0.7
69.13231	0.3
71.01368	0.7
73.02930	0.5
83.01367	0.3
85.02955	1.2
89.02456	1.2
93.03455	0.6
96.95998	0.4
99.00872	0.3
101.02419	0.9
107.01405	1.1
113.02428	0.4
117.03460	2.9
119.03495	0.3
121.00340	0.2
121.02940	0.4
123.43757	0.2
129.02057	0.2
135.04498	0.3
147.04536	0.2
149.02455	1.0
149.04538	0.3
151.00374	0.6
157.06535	0.3
158.03682	0.2
159.04497	2.2
160.05280	1.3
161.02435	1.0
161.04655	0.2
161.06107	0.4
163.06102	0.3
164.04799	0.2
169.06584	0.4
171.04366	0.2
173.04587	0.4
173.06065	0.4
175.07666	0.8
177.05602	0.2
177.78818	0.2
178.06352	0.7
180.05809	0.2
181.06625	0.5
183.04530	0.6
191.02029	0.3
191.05701	0.3
192.07895	0.3
196.05313	0.2
197.06157	0.8
201.05609	0.5
205.12427	0.2
224.04741	0.2
225.05560	1.1
227.03586	0.4
233.72478	0.2
240.04196	0.2
256.15219	0.2
268.03757	1.4
269.04532	100.0
270.04926	2.7
281.08258	0.3
283.09760	0.3
299.09143	0.6
311.05637	0.3
311.09210	0.5
313.11133	0.3
314.11484	1.0
325.10703	0.2
326.11581	0.4
329.13931	6.4
341.13812	1.1
371.15015	0.6
563.14026	4.5
563.23303	1.2
564.14764	0.2
580.66376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18464	1.5
54.12468	1.3
56.31542	1.2
57.03440	1.3
58.66524	1.7
59.01375	49.7
64.69903	1.2
71.01376	34.7
72.99322	2.1
73.02954	4.8
85.02943	6.7
87.00871	11.7
89.02441	47.8
97.02920	1.7
101.02438	27.3
113.02447	19.5
119.03504	8.6
125.02434	2.0
129.08151	1.3
131.03520	2.8
143.03487	4.6
161.04530	9.2
179.05603	39.1
221.06645	31.6
281.08734	2.4
323.09818	4.0
341.10748	5.8
373.21011	1.6
503.16183	100.0
504.16492	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04770	0.4
54.92885	0.5
55.01875	3.0
57.03447	2.9
58.00597	0.5
59.01379	41.5
67.47940	0.4
69.03456	1.8
69.81929	1.3
71.01379	57.2
72.99303	1.3
73.02944	24.6
75.00889	1.1
81.03453	0.9
83.01385	7.3
85.02951	26.1
87.00883	3.2
89.02443	18.6
95.01393	3.9
96.96007	0.6
97.02950	4.1
97.06560	0.6
99.00880	26.8
101.02443	49.3
111.00869	1.1
113.02449	23.8
116.92858	0.5
119.03494	4.3
125.01627	0.6
125.02448	7.1
129.01929	1.8
131.03494	2.1
141.01910	0.6
143.03516	3.7
149.04552	0.9
159.02986	4.3
159.06609	1.0
161.04558	24.4
173.04549	0.4
179.05606	2.8
191.02031	0.6
191.05582	3.7
241.11934	1.3
245.06668	0.6
269.10309	20.3
270.10535	0.6
293.08932	0.6
323.09854	0.6
383.13354	0.9
401.14514	21.7
402.14752	0.9
413.14438	0.7
431.15552	42.4
432.15817	1.6
445.73618	0.4
505.31247	0.5
528.05774	0.5
563.19769	100.0
564.20148	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03446	1.8
59.01377	100.0
61.98826	10.4
69.03429	1.0
69.69390	3.3
71.01380	35.6
71.05016	0.9
72.99323	1.4
73.02944	63.0
75.00872	1.9
76.94986	1.0
83.01383	13.3
85.02949	17.8
87.00875	3.3
89.02436	19.5
89.27312	1.0
93.03479	1.4
95.01380	3.9
96.96002	2.3
97.02941	1.1
99.00891	1.9
101.02444	52.1
108.02148	1.7
109.02962	2.7
111.00901	1.2
113.02447	29.5
119.03508	7.3
121.02986	4.7
122.03703	1.2
123.04515	2.8
125.02458	1.6
131.03493	6.2
135.04504	1.4
136.01721	1.2
137.02394	1.5
143.03508	5.2
145.08681	1.2
147.03008	1.0
147.04501	1.5
147.75618	1.0
149.04550	6.5
151.04039	2.4
155.03531	1.5
159.04509	3.4
160.05310	7.8
161.04572	14.0
161.06020	2.6
163.04050	1.1
172.05301	3.9
173.04514	2.6
173.06056	3.2
175.07663	4.8
179.05615	1.9
187.03978	3.4
187.07585	1.6
189.05524	7.7
190.06334	9.6
191.02029	1.6
191.05545	7.7
205.08708	9.6
221.06618	2.2
253.09167	2.0
281.08167	2.9
296.10507	4.9
301.14508	1.1
309.07544	1.1
311.09479	1.5
311.12878	9.9
314.11703	1.3
326.11539	1.3
327.12405	1.2
327.15875	2.1
327.21735	2.8
329.13858	4.8
341.13904	49.7
342.14182	1.9
345.17111	4.8
345.20987	0.9
353.06604	1.2
371.15048	4.8
383.07236	1.4
401.12341	2.4
489.27142	2.7
503.19067	19.0
503.25510	2.3
504.19467	1.8
521.20282	3.8
545.12970	1.6
563.14264	2.0
563.22803	12.1
563.30920	9.4
582.19189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03431	2.1
58.00587	1.2
59.01378	100.0
61.98827	8.7
62.61676	0.8
69.03454	1.6
69.35112	4.3
71.01381	40.8
73.02944	62.8
74.99409	0.9
75.00859	2.2
81.03410	0.9
83.01383	12.8
85.02944	14.3
87.00867	3.0
87.59547	0.9
89.01928	1.4
89.02441	18.8
89.31363	0.9
93.03436	1.3
95.01381	3.9
96.96021	3.3
97.02961	0.9
99.00869	2.2
101.02441	53.7
108.02166	2.6
109.02940	3.0
111.00906	1.2
113.02446	28.9
119.03501	9.6
121.02951	3.3
122.03726	2.1
123.04529	3.1
125.02459	1.6
128.03650	0.9
131.03503	4.5
131.72417	0.9
135.04471	1.4
136.01613	1.0
137.02457	1.1
143.03439	4.6
147.03020	1.3
149.04568	6.0
151.04025	2.2
155.03484	1.7
159.04526	4.3
160.05272	7.9
161.04588	14.9
161.06027	2.5
163.04042	0.9
171.10280	2.0
172.05301	5.3
173.04510	2.8
173.06049	4.5
175.07643	3.8
179.05595	3.3
186.06984	0.9
187.03951	2.6
187.07597	2.2
187.11308	1.4
189.05513	9.3
190.06369	11.8
191.01907	1.9
191.05571	8.2
191.06978	1.0
202.06270	1.0
203.05545	1.8
205.05186	1.1
205.08675	10.9
221.06415	1.2
253.09064	1.2
253.48317	1.0
279.06396	0.9
281.08121	2.5
295.09738	1.2
296.10474	5.9
311.12909	7.7
313.11166	1.1
327.15973	1.8
327.21686	2.9
329.13889	4.1
341.13907	46.3
345.17163	5.1
358.13763	1.2
371.15106	3.6
401.12183	1.7
503.19147	18.1
503.24661	0.8
504.19373	1.2
521.20416	2.6
545.12354	2.1
563.14355	2.0
563.22998	11.4
563.30841	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03439	2.9
59.01377	44.6
60.01686	1.1
61.98827	18.3
70.20039	0.7
71.01377	22.0
72.99305	1.1
73.02952	5.6
75.00834	0.7
83.01377	1.4
83.05032	1.7
85.02946	10.0
87.00867	4.3
89.02442	35.1
90.02771	0.8
93.03445	1.5
95.01379	1.4
95.05011	1.1
96.95999	1.4
97.06516	0.8
99.00883	5.5
101.02445	16.2
105.07119	0.9
107.05010	4.2
111.00860	1.1
113.02428	7.8
114.93384	1.2
116.92857	1.3
119.03493	8.3
120.05819	3.0
125.02460	1.3
129.01918	1.5
131.03496	2.3
133.05051	1.1
135.04521	2.6
141.05431	0.8
143.03523	1.8
143.07047	0.7
147.02979	0.8
147.04517	1.0
149.04547	13.0
149.05725	1.3
150.04924	0.9
151.05077	1.1
151.06143	7.3
160.05302	1.3
161.02489	0.9
161.04532	1.3
161.09703	8.8
161.13321	3.2
163.06094	0.9
163.11259	4.0
173.04489	1.2
175.07576	1.4
179.05571	3.0
187.11258	11.8
189.09178	8.0
191.01952	2.1
191.05597	3.2
203.10818	1.6
205.12251	4.5
207.10248	4.0
221.06529	1.1
223.13406	2.6
231.10280	1.0
249.11316	6.5
251.07707	1.7
267.12332	3.5
268.12796	1.0
269.12827	1.7
275.94312	0.8
295.10242	1.0
298.04752	1.3
311.09885	1.3
313.11362	9.7
329.13895	5.2
353.06552	1.4
371.11185	0.9
371.15305	1.5
383.11407	1.6
482.22784	0.9
503.25232	1.2
545.12811	3.0
545.21082	1.3
563.23358	100.0
564.23633	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97335	33.8
59.01372	46.3
60.65904	34.7
61.98833	50.9
65.68102	37.5
82.56182	37.4
131.32530	35.5
153.94781	38.2
178.36327	45.7
280.94702	38.6
285.58844	43.3
291.19739	100.0
420.52771	46.6
486.34436	40.2
520.17017	40.4
563.25781	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.2
61.11205	33.2
61.98832	75.8
69.67155	100.0
71.74189	29.7
75.39400	31.2
79.37952	30.8
89.02400	38.6
96.96027	51.1
98.21873	57.2
106.16984	28.4
122.03722	41.1
173.04558	85.5
176.96246	35.0
191.05556	65.5
291.19653	96.8
293.21112	39.5
357.00500	33.5
386.10031	31.7
563.27716	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14292	1.8
57.03433	4.8
59.01378	96.5
60.99311	1.7
61.98817	9.3
69.03449	1.8
69.73083	4.0
71.01380	48.8
73.02943	20.5
81.50701	1.7
83.01389	2.2
85.02952	22.1
85.62840	1.6
87.00858	3.1
88.98827	13.6
89.02443	100.0
93.03448	1.7
95.01408	1.9
97.02945	1.9
99.00878	25.6
101.02440	41.2
111.00883	3.8
113.02446	9.5
116.92845	3.7
117.03415	2.0
119.03510	5.0
125.02439	6.0
131.03491	17.2
143.03485	2.1
149.04556	86.3
159.04478	3.9
160.05280	5.6
161.02435	3.7
161.04541	6.1
161.05957	2.4
173.04553	3.2
175.07660	5.7
178.06383	3.3
191.01939	8.1
191.05614	20.3
192.07927	2.2
205.37657	1.8
221.06703	7.5
241.04938	1.8
251.07712	9.3
293.08820	2.9
295.06458	1.8
296.06903	2.5
299.01688	1.8
311.09879	5.7
327.12164	3.8
329.13895	24.3
344.12698	2.3
353.06613	4.8
359.14868	6.2
383.07559	3.3
489.27203	3.9
503.19147	8.0
503.25406	3.6
521.20142	4.5
545.12982	8.0
563.13898	8.8
563.22852	4.2
563.31555	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03444	2.7
59.01378	86.7
60.99295	2.3
61.98832	11.2
71.01382	53.9
72.49278	1.5
73.02939	18.1
82.96124	2.0
83.01379	2.8
85.02947	25.0
87.00866	3.9
88.98812	9.8
89.02443	100.0
90.39108	1.5
93.03467	3.7
95.01410	1.9
97.02946	2.5
99.00874	27.8
101.02443	46.8
111.00895	2.8
113.02433	11.8
119.03481	5.2
121.06419	1.5
125.02442	5.7
129.01915	3.3
131.02617	2.3
131.03526	14.9
133.02907	2.5
135.04532	2.0
135.11633	1.7
143.03479	4.5
147.02992	4.4
149.04553	85.0
159.04483	3.8
160.05328	4.1
161.02448	3.6
161.04607	3.8
161.06081	2.2
161.09616	2.5
173.04504	2.9
175.07634	5.8
176.04709	2.9
178.06384	3.0
191.01979	7.5
191.05609	24.8
192.77789	1.8
220.34946	1.7
221.06577	6.4
251.07675	10.3
275.07611	2.7
293.08813	3.1
310.89169	1.7
311.09695	6.9
327.12305	3.6
329.13928	24.4
341.13708	2.2
359.15033	5.7
371.11041	2.2
383.11655	1.8
503.18799	10.0
503.25464	4.2
521.20056	4.7
563.22632	8.5
563.30420	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65372	1.5
61.60028	1.7
61.98829	2.6
69.85238	2.5
69.85616	3.0
78.95901	45.3
90.06133	1.5
92.81722	1.9
94.29771	1.5
94.92517	2.7
96.45786	1.8
99.92557	3.7
116.92896	1.6
123.44278	1.6
152.99580	22.9
155.95241	1.7
168.04288	2.3
171.00638	5.6
179.89165	3.4
193.90802	5.6
195.92363	1.7
196.89586	1.9
224.06892	7.6
242.08115	2.9
245.04283	10.3
249.93387	3.0
253.21773	7.3
280.23550	2.0
281.24863	100.0
282.24973	3.0
391.40546	1.7
478.29483	3.0
481.25723	26.8
482.26035	1.9
506.32465	84.0
507.32761	3.8
528.15790	15.2
563.34363	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	38.8
61.98814	19.9
69.49036	34.9
71.01392	16.1
71.79088	7.0
74.28136	7.4
84.56012	9.9
85.02971	19.9
96.96019	33.2
116.92883	22.5
121.02965	23.2
122.03737	17.7
161.55829	8.2
165.05533	30.7
175.04028	8.1
269.08261	12.5
299.09351	15.4
300.02863	13.2
311.09262	14.1
314.11511	12.9
326.11316	9.4
329.13925	54.5
341.13943	26.4
346.14206	10.1
355.70502	9.6
361.16656	100.0
424.08484	8.9
481.25217	11.2
504.18927	11.4
532.65338	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48855	2.1
51.72711	2.1
54.24616	2.1
54.59071	2.2
55.75108	1.9
57.03426	3.1
59.01376	74.0
61.98826	100.0
69.25513	2.4
69.28273	5.0
69.28674	8.2
71.01376	38.4
73.02934	6.9
74.85462	2.1
83.01367	2.6
85.02943	16.0
89.01933	4.2
89.02448	46.1
93.03451	3.5
96.96030	4.8
101.02443	29.3
107.01399	3.6
109.02970	3.3
113.02434	14.8
119.03509	23.2
119.04977	2.9
121.02973	3.5
131.03520	2.9
137.02431	4.3
143.03505	4.6
143.04733	2.2
147.03029	2.8
149.04533	3.3
151.00398	7.4
151.03995	3.0
159.04512	6.4
160.05255	15.5
161.02426	2.7
161.04494	8.4
161.05782	6.5
163.06140	2.7
173.00853	2.5
173.05984	3.6
175.07628	9.6
176.07883	5.4
177.02011	3.2
177.05569	4.0
178.06305	4.7
179.05582	19.0
190.06252	2.8
191.05547	3.3
192.07877	3.8
269.04517	13.6
269.08102	3.6
270.04880	19.9
270.08276	4.5
271.06094	11.8
283.09769	3.8
284.10040	2.4
295.09634	3.2
299.09320	3.2
300.09503	5.3
311.09192	4.0
312.09583	3.9
314.11584	4.8
315.11990	5.8
327.12033	4.3
329.13898	36.9
330.10565	4.8
330.14221	60.0
331.53897	2.6
341.14005	17.1
342.14236	7.3
360.15228	2.9
368.12558	2.5
372.15311	7.8
392.24774	3.1
403.17810	4.2
444.10034	2.4
491.59140	2.5
521.20367	15.1
564.14044	8.3
564.23779	7.5
565.23035	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13768	0.5
57.03451	0.8
59.01378	41.5
61.98830	100.0
69.09325	0.6
71.01382	8.7
73.02944	10.3
83.01387	2.1
85.02962	2.6
87.00899	0.8
89.02445	8.1
93.03430	1.5
99.00893	0.6
101.02448	9.7
109.02954	1.5
111.00896	1.0
111.92440	0.6
113.02448	7.2
119.03523	3.6
131.03528	1.2
133.02983	0.9
134.03661	0.8
137.02449	0.9
143.03477	1.1
149.04555	1.8
153.01981	1.5
153.05576	0.9
161.04567	4.9
173.04546	2.0
177.01930	1.0
179.05615	4.4
183.81624	0.6
188.04388	0.6
191.05585	5.5
192.05975	1.9
207.03194	0.7
218.25934	0.6
221.06757	1.0
226.80534	0.7
283.13513	0.9
284.13861	2.0
302.14905	0.9
328.16385	1.0
328.22153	1.1
345.17230	1.8
346.17545	2.8
371.14975	1.2
372.15253	4.1
457.24557	1.5
564.21741	2.0
564.30743	2.0
565.21722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03453	1.5
58.35550	0.9
58.35841	1.1
59.01382	72.4
59.39906	0.9
61.98832	100.0
69.16120	4.8
71.01383	15.8
73.02930	5.6
83.01415	1.7
84.02164	1.1
85.02956	8.3
89.02449	9.1
95.01409	2.5
99.00878	1.4
101.02458	8.3
105.03482	1.3
109.02984	1.5
111.00900	3.3
113.02451	16.3
119.03521	2.8
121.39826	0.9
132.54117	0.9
133.02977	9.1
134.03343	3.4
143.03535	1.8
155.06599	0.9
161.04570	4.8
173.04572	2.1
174.04895	1.1
177.01941	6.4
178.02303	4.0
179.05617	3.9
191.05623	4.5
192.06047	1.8
207.03027	1.2
218.48286	0.9
237.07562	1.3
238.07863	1.3
288.11038	1.1
327.21948	1.9
328.22070	3.2
345.16953	1.4
346.17230	1.4
372.15390	2.3
397.22345	29.1
398.22733	1.3
415.23254	10.9
432.57153	1.1
433.22055	1.2
457.24402	4.4
564.21942	2.7
582.50006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32809	1.7
57.03440	2.1
59.01072	2.5
59.01380	44.7
61.98830	100.0
71.01381	10.3
71.44273	2.5
73.02951	13.6
83.01385	3.7
83.04991	1.5
85.02947	9.9
87.00869	1.9
89.02456	8.5
93.03457	4.9
101.02420	12.6
102.36064	1.8
109.02938	4.9
111.00868	5.3
113.02443	7.1
119.03475	5.1
131.03502	2.3
132.02145	2.6
134.03745	3.3
135.04514	5.0
137.02458	2.2
149.04514	3.9
153.01903	3.1
153.05592	2.9
160.01660	4.8
161.02217	1.9
161.04541	5.4
173.00880	2.2
173.04514	7.3
174.04796	2.5
175.03934	5.0
176.04315	2.3
179.05605	4.3
191.05608	22.6
192.05962	9.7
193.05089	2.4
267.70593	2.1
327.15942	2.2
328.16077	3.5
328.22031	3.5
345.16910	2.5
346.17157	6.0
371.15009	3.2
372.15259	12.5
387.16382	2.7
388.16971	3.4
534.50061	1.8
564.21173	8.7
565.20825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1117
Annotation	Isoginkgetin
Peak:m/z	Relative Intensity
50.62728	15.2
59.01379	100.0
61.98832	48.5
70.75900	28.4
71.01389	41.5
85.02962	20.1
89.02455	35.7
98.05083	13.7
99.50997	14.3
101.02411	16.3
110.35529	15.6
113.02465	21.3
153.02063	13.4
179.05641	17.3
234.53992	14.2
283.04962	18.8
565.11218	78.7
565.22198	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32484	4.9
59.01381	98.1
61.98823	13.5
64.59398	4.7
68.38958	4.9
69.03456	8.1
69.57877	17.3
71.01391	74.6
73.02941	14.3
75.00861	8.3
85.02953	18.4
87.00864	10.5
87.11335	5.4
89.02447	100.0
95.01350	5.3
96.95991	18.0
97.02968	10.8
99.00870	18.8
101.02441	40.3
108.02182	5.9
109.02980	5.1
113.02433	12.0
115.03957	9.5
116.92866	10.1
119.03530	9.3
125.02455	35.6
129.01921	6.5
131.03529	9.6
137.02406	6.4
138.76004	5.5
149.04559	16.4
161.04582	10.3
179.05672	23.3
181.05074	20.8
191.05521	9.8
196.07306	10.8
208.30481	4.7
211.09657	5.9
233.06671	30.1
244.39090	4.5
264.99472	4.7
286.94330	6.0
287.08875	4.7
293.05725	9.0
293.08817	85.1
295.60995	5.1
307.30573	4.8
331.70459	5.2
351.89722	5.1
403.14227	6.4
427.06982	9.5
565.20526	39.0
587.01556	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2291
Annotation	5alpha-Decinnamoyltaxigifine
Peak:m/z	Relative Intensity
55.01865	0.9
57.03439	1.6
59.01379	27.4
61.98831	1.9
66.83079	0.4
69.03462	0.7
70.61737	0.4
70.62055	0.6
71.01382	14.2
72.99308	1.0
73.02943	4.5
75.00839	0.5
76.41827	0.4
81.03481	0.7
83.01385	2.9
85.02960	9.1
86.00086	0.4
86.67226	0.4
87.00874	2.1
89.02455	3.5
93.03455	0.8
95.01376	2.4
96.96023	1.0
97.02969	0.6
99.00880	1.7
101.02452	6.0
108.02171	0.5
109.02949	3.5
111.00863	0.6
112.01665	0.4
113.02444	7.2
115.03995	0.4
119.03489	1.1
119.04981	1.0
121.02125	0.8
121.02953	8.1
122.03755	10.2
123.04533	1.8
124.01682	0.5
125.02453	1.3
129.03450	0.7
134.03763	1.0
135.04527	2.0
136.05302	1.6
137.02446	0.8
143.03513	0.8
147.04536	5.4
148.05280	0.7
149.06078	1.0
151.00363	2.1
159.04469	0.5
160.05289	0.6
161.02457	1.0
161.04701	0.7
161.06033	3.4
162.06879	1.7
163.04039	0.5
163.07614	0.4
165.05560	16.6
173.06044	1.5
174.06795	0.5
175.07616	1.6
175.14241	0.4
176.08495	0.4
178.06339	0.7
179.07143	4.1
191.07162	1.6
192.07925	0.5
193.08693	0.5
195.55623	0.4
206.95984	0.5
271.06097	1.3
297.11401	0.4
298.12155	2.7
299.12704	0.6
311.12906	0.6
313.14444	5.0
315.12347	1.3
316.13193	0.9
327.12213	0.5
328.13083	3.6
329.13757	1.6
331.15878	0.4
343.15479	7.6
346.14185	6.7
347.14844	1.7
348.22610	0.4
361.16547	46.8
362.16916	1.3
403.17700	0.8
475.19498	0.8
490.19165	0.5
505.20792	100.0
506.21176	5.9
521.26190	0.5
523.21851	36.5
524.22070	1.9
565.15350	1.8
565.22906	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	62.3
59.52176	41.4
61.83755	41.4
61.98832	91.0
69.05734	39.5
69.67384	100.0
69.67754	81.1
78.95884	70.7
87.55048	35.8
92.92806	48.7
196.83308	44.9
212.00128	55.2
254.85648	71.6
292.19254	43.5
381.97617	42.1
482.32999	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	93.3
60.00092	32.4
61.98821	100.0
70.31518	78.7
71.52107	35.5
78.95905	74.4
96.96011	35.4
98.22638	38.0
137.09711	49.7
152.99512	47.4
187.22246	33.5
205.71848	31.6
254.85619	38.0
269.07098	75.1
407.17316	72.9
565.26746	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56230	16.8
59.01380	93.4
61.98821	43.8
69.71230	55.1
72.25407	16.7
87.78049	19.6
98.21817	26.5
116.92866	33.4
134.23877	18.7
225.20569	18.2
234.10992	20.5
266.14609	19.0
275.20148	35.2
293.21255	65.7
547.31201	20.9
565.28021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.98816	2.2
64.53202	1.0
69.11314	7.7
71.01389	2.4
72.99294	1.5
73.02940	2.7
75.00874	15.9
75.33025	1.0
77.82026	1.1
78.95905	22.9
80.96512	2.1
87.00877	9.6
97.02936	2.3
99.00890	4.2
101.02451	12.8
111.00854	2.6
128.83708	1.2
129.01942	10.3
131.03499	4.7
141.02016	1.4
152.99590	4.5
157.70033	1.3
159.02995	8.8
167.07817	1.0
168.04300	4.9
170.45659	1.1
224.06929	8.2
242.08101	1.9
277.21832	2.0
279.23291	100.0
280.23618	14.8
302.82425	1.0
468.33566	1.1
471.34909	1.5
504.30942	74.9
505.31329	18.0
547.27551	1.5
565.27130	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.7
59.01379	87.2
61.98825	12.7
69.32298	8.4
71.01381	55.8
71.01780	2.4
72.33100	1.6
72.99311	2.0
73.02949	22.7
74.00382	1.5
75.43375	1.9
81.81335	1.7
84.95222	1.5
85.02931	7.9
89.02444	100.0
96.96007	7.0
98.21825	2.8
99.00884	36.9
101.02446	43.0
104.72650	1.7
111.00881	1.7
113.02480	8.4
116.92842	3.2
119.03498	7.6
121.02982	2.1
123.04567	1.7
125.02443	6.7
125.10368	1.6
131.03505	15.3
143.03441	2.2
148.93478	1.6
149.04556	69.2
161.02451	3.4
161.04553	6.4
162.03198	2.7
177.05605	1.8
179.03493	3.2
190.06441	2.7
191.05594	15.1
191.07149	2.1
198.68939	1.8
208.07472	2.9
209.08234	2.8
221.06580	8.2
247.64030	1.7
251.07698	9.4
275.07700	2.0
283.05966	1.7
293.08844	3.3
298.08432	4.1
311.09705	4.0
313.10800	4.8
318.19763	1.6
328.13132	3.0
359.14926	12.0
361.16858	2.0
373.12753	2.2
403.13867	3.2
424.56793	1.8
426.15872	1.7
445.86972	1.7
505.26578	72.0
506.26999	2.5
565.18402	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16426	1.3
54.94742	1.6
59.01384	23.3
61.98833	32.6
63.88268	1.4
63.99250	2.2
64.92923	1.6
68.24332	1.4
71.01382	11.6
73.02937	2.5
85.02961	6.2
89.02464	4.7
101.02451	10.0
113.02444	5.4
115.75067	1.6
116.92856	2.0
121.02953	4.8
122.03745	8.4
122.04509	1.5
123.04568	1.9
134.03799	1.6
135.04572	2.1
141.20734	1.8
147.04465	3.2
161.48909	1.6
165.05568	12.4
179.07118	3.9
191.96060	1.4
294.15070	1.6
305.52008	1.5
313.14276	1.8
315.12360	2.4
343.15338	2.4
346.14194	6.8
347.14792	1.9
351.63751	1.5
357.46088	1.6
361.16550	47.8
362.16534	2.3
404.14093	1.7
523.21851	100.0
524.22125	5.4
566.19440	3.0
566.29663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78780	0.4
55.01908	0.4
59.01377	62.5
61.98828	100.0
69.23991	1.9
71.01378	6.6
73.02946	2.1
83.01387	0.7
85.02938	2.6
87.00903	0.4
87.04530	0.7
89.02443	2.5
94.83766	0.4
95.01390	0.9
97.09657	0.4
98.21741	0.6
99.00905	0.5
101.02460	4.4
101.06081	1.2
108.52872	0.4
113.02460	3.4
119.03519	1.0
143.03497	0.7
161.04549	2.0
183.48344	0.4
255.19675	0.8
272.85757	0.5
291.57104	0.5
297.20578	0.7
310.23874	0.5
324.92120	0.4
399.23843	13.0
400.23849	0.5
417.24948	12.4
418.25006	1.0
459.25961	7.0
534.18103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	62.1
61.98828	100.0
71.01388	5.9
73.02953	1.9
85.02969	2.2
87.04519	1.0
89.02454	1.8
91.23048	0.7
95.01392	0.8
98.22594	2.4
99.00863	1.3
101.02411	3.4
113.02415	4.1
122.06139	2.5
137.78192	0.7
152.07185	3.7
156.41904	0.8
161.04558	1.4
265.09885	1.0
293.09244	3.7
305.09378	0.8
399.23865	19.7
417.24838	3.9
458.17300	1.0
459.25977	7.0
502.16229	9.9
523.23889	1.0
534.19049	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.0
57.32148	0.3
58.02957	1.3
58.77097	0.3
59.80759	0.4
60.46056	0.4
63.31596	0.4
64.53326	0.4
67.05523	0.4
78.80841	0.4
86.86705	0.4
88.57869	0.3
128.10814	2.7
130.08736	100.0
131.09070	0.9
189.16479	0.4
239.50400	0.5
314.93484	0.4
335.06287	0.4
565.25439	0.5
566.42084	51.0
567.42328	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03589	0.9
69.32752	4.3
69.77085	0.9
83.01462	0.9
121.14237	0.8
128.10822	1.3
130.08736	100.0
131.09131	1.1
145.39821	1.1
148.85670	0.9
153.58569	0.9
160.54620	0.9
195.47388	0.8
306.34103	1.0
333.00104	1.0
355.80524	0.9
418.57837	0.9
473.47388	1.1
548.40991	3.9
566.42102	77.7
567.42242	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73521	2.0
71.65150	0.8
87.84008	0.8
93.07081	1.0
96.72509	0.8
98.22639	1.1
128.10826	1.8
130.08740	100.0
135.11752	0.9
220.57147	0.8
302.94537	0.8
350.23361	2.0
383.35501	0.8
436.13416	1.0
548.41174	6.0
566.42151	85.7
567.42633	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2081
Annotation	Amritoside C
Peak:m/z	Relative Intensity
59.01371	3.7
61.01064	0.5
69.11137	2.5
71.01382	1.8
73.02935	0.6
75.63242	0.4
83.01353	0.5
85.02938	0.4
89.02435	2.5
98.21868	0.7
99.92609	0.5
101.02454	1.1
107.21120	0.5
113.02444	1.0
114.93407	4.4
116.92830	1.6
119.03506	0.9
125.02628	0.4
135.04472	0.5
145.03008	0.6
159.04515	1.8
171.04538	3.4
173.02414	2.6
174.03212	1.0
179.05605	0.5
184.55737	0.4
186.03209	22.7
187.03999	10.2
188.04413	0.4
199.03995	56.2
200.04700	3.5
204.18864	0.5
213.05614	0.9
213.09227	1.8
215.10825	0.9
216.04448	0.4
218.02211	2.2
223.07594	1.1
225.09215	3.4
226.06374	1.1
227.07104	1.3
239.10793	0.6
241.08698	41.6
242.09467	100.0
243.10191	21.6
254.09482	0.4
255.10229	1.6
256.51071	0.5
263.04620	0.5
294.11926	0.6
321.93338	0.4
329.13846	0.6
404.14590	0.6
405.15515	66.7
406.15848	3.5
567.20752	53.3
568.21393	3.3
573.93848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98819	7.1
62.98524	1.6
64.41566	1.6
68.63564	1.8
69.08438	1.7
69.53402	5.5
69.53779	3.7
71.01370	12.8
73.02936	2.9
73.72939	1.6
80.91675	42.1
82.95403	3.3
83.01403	2.3
85.02941	5.9
89.02437	11.0
90.73920	1.9
98.22641	3.2
101.02447	6.1
107.96140	2.0
113.02422	7.3
119.03508	3.6
141.01698	66.8
161.04498	2.3
174.95168	2.4
183.02026	1.9
184.79216	2.1
217.41682	2.0
224.63303	1.6
230.67375	2.0
239.24287	1.9
254.37476	2.4
262.01395	1.8
277.16437	2.1
303.86703	2.1
333.15549	2.2
363.05038	4.3
399.23953	13.5
400.24451	2.2
421.20923	8.4
463.21689	3.0
481.23856	9.9
518.75311	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
57.03439	2.4
58.00600	0.7
59.01377	44.7
61.98833	1.0
69.03474	0.5
69.64890	1.6
71.01380	30.6
72.99311	1.6
73.02946	8.0
75.00880	1.2
83.01392	5.9
85.02947	15.5
87.00865	2.3
89.02444	11.8
93.03492	0.6
95.01382	3.2
97.02964	1.1
98.22543	1.0
99.00863	3.3
101.02441	24.2
109.02981	1.5
111.00900	1.5
111.04536	0.9
113.02435	9.1
119.03517	5.4
121.02905	1.0
122.03777	0.5
123.04537	0.8
124.01672	1.3
125.02450	4.2
131.03511	0.7
135.04524	1.4
136.01706	0.9
137.02437	5.2
138.03220	1.1
139.04033	2.5
143.03529	0.9
145.02980	0.9
149.02429	1.1
150.03227	0.8
151.04001	5.5
152.04797	2.5
159.03041	0.9
161.02531	0.6
161.04584	2.4
161.05968	0.8
162.03227	2.1
163.04037	2.3
164.04839	1.1
165.01941	0.6
165.05559	1.0
168.16010	0.4
175.04047	1.2
176.04799	1.6
177.05612	2.7
179.03503	1.8
179.07082	1.1
180.04271	8.5
181.05064	4.0
191.05571	0.7
191.07179	0.6
194.05852	5.5
195.06628	16.4
206.05804	0.6
207.06456	0.6
209.08237	1.6
234.53682	0.4
299.12958	0.7
327.12347	2.0
329.13916	0.5
342.14825	1.4
345.13446	10.6
345.16840	0.4
353.08795	0.8
357.13452	3.5
357.17322	0.7
358.14310	0.5
359.15036	1.4
372.16000	2.2
375.14444	13.6
376.14987	0.8
387.18100	3.8
390.16806	15.7
390.50940	0.6
391.17551	1.8
405.19162	79.5
406.19531	2.8
436.69461	0.5
507.19861	1.2
537.21246	0.9
552.21887	1.8
567.24451	100.0
568.24762	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2441
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
55.01877	2.6
57.03441	1.3
58.00602	0.5
59.01377	38.5
61.59859	0.4
61.98829	0.6
71.01379	27.8
72.99320	1.3
73.02942	8.0
75.00873	1.2
83.01387	5.1
83.36103	0.4
84.46490	0.3
85.02948	13.3
87.00863	2.4
89.02442	13.0
93.03480	2.1
95.01385	2.8
97.02957	1.1
99.00867	3.5
100.93324	0.4
101.02440	23.5
108.02166	0.5
109.02940	3.8
111.00890	1.5
113.02441	9.2
119.03494	6.5
119.05108	0.4
121.02951	23.8
122.03755	3.2
123.04552	1.0
124.01646	0.4
125.02444	1.3
129.03441	0.6
131.03497	0.5
134.03770	0.6
135.04515	1.6
137.02458	1.6
138.03171	0.6
139.04051	0.9
143.03470	1.1
147.04521	4.5
148.05203	0.4
148.70737	0.5
149.04829	0.3
149.06126	0.8
151.03998	2.5
152.04778	1.0
159.03029	1.3
161.04573	2.7
161.06085	2.2
162.03206	0.4
163.04033	0.5
164.04781	1.0
165.05563	16.7
175.04132	0.4
175.07564	0.5
176.04791	1.1
177.05609	0.9
178.06415	0.5
179.03569	0.7
179.05643	0.6
179.07120	6.7
180.04259	0.7
191.07135	1.2
193.05061	1.0
194.05888	1.4
195.06596	4.4
209.08223	1.2
215.06917	0.4
267.16052	0.4
290.96518	0.4
312.10025	0.6
327.12534	1.4
342.14612	3.6
345.13440	3.7
357.13266	0.9
357.17209	0.9
359.15015	2.1
360.15503	0.6
372.15942	1.8
373.16385	0.5
375.14359	5.6
375.18588	0.3
376.14893	0.5
387.18076	3.3
390.16794	16.4
390.21808	0.8
391.17453	2.1
405.19156	100.0
406.19452	4.1
410.51123	0.4
433.23666	0.4
566.36212	0.4
567.24457	69.3
568.24683	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
61.98850	2.2
63.39855	3.0
69.58755	9.6
71.37923	2.0
73.54375	2.3
78.95896	38.7
103.75652	2.8
109.17944	2.5
110.98528	33.7
117.67490	2.5
141.09167	2.8
152.99617	2.7
166.00288	6.6
167.01118	21.0
173.51038	2.7
185.02216	11.5
195.13858	8.1
211.13318	2.5
213.14941	10.5
225.11351	4.9
237.14923	10.4
239.16530	10.3
255.16006	88.6
257.17566	100.0
258.17941	4.0
275.77826	2.3
290.61288	2.3
309.10211	4.2
321.24219	4.6
322.24524	2.3
345.24091	3.2
363.25394	3.0
397.15067	2.4
409.18918	3.3
423.17880	99.1
424.18149	7.3
425.19431	72.3
426.19769	2.6
522.47168	2.7
549.28119	21.0
567.29449	66.8
568.29529	4.4
593.05255	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86739	0.9
59.01371	2.5
61.98814	2.4
70.74133	1.5
71.01382	2.2
72.02177	1.2
77.39930	1.3
78.95902	52.8
93.98267	1.0
96.96967	1.3
104.97446	1.6
109.15074	1.1
110.98530	44.6
113.06054	1.9
123.16138	1.0
127.07637	2.6
141.09180	2.6
143.10704	1.2
152.99542	3.7
162.83530	1.0
166.00345	14.3
167.01146	28.9
167.14444	4.8
168.10617	1.1
169.12303	1.5
169.15926	1.0
183.13936	2.4
185.02173	8.2
195.13867	7.8
197.15482	1.4
211.17030	2.1
213.14949	14.5
216.84348	1.1
223.23242	1.0
227.16721	2.6
237.14929	7.6
239.16507	7.5
244.05406	1.0
251.20207	1.3
255.16016	89.2
256.16449	1.7
257.17578	92.8
258.17853	1.9
309.20596	1.4
381.16934	1.9
409.91025	1.0
423.17886	100.0
424.18515	11.6
425.19449	84.7
426.19507	2.4
491.82919	1.3
497.63367	1.3
567.29388	47.8
568.29761	2.1
588.66760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60064	1.7
59.01367	12.3
61.98831	34.0
71.01375	3.5
73.02939	3.1
89.02431	3.0
91.42826	1.9
96.77212	2.1
162.63023	1.9
180.06680	2.9
194.38924	2.0
260.04651	2.5
261.05487	10.1
262.06296	2.6
277.04965	5.8
289.04913	22.0
290.05621	5.8
291.06586	8.1
305.04578	8.0
317.04514	8.4
318.05255	8.7
319.06122	16.8
321.04044	2.3
322.83450	2.0
328.18152	2.0
333.03622	2.6
334.04385	3.1
350.04239	35.8
363.05078	100.0
364.05728	5.5
365.06631	44.3
387.16998	4.4
507.35391	2.3
549.19061	2.2
568.24323	9.6
569.12952	4.7
583.61920	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.6
59.01379	50.1
59.77022	2.2
60.01701	3.1
61.98832	10.8
64.20393	2.5
69.67637	8.2
71.01381	8.4
80.91685	11.1
82.95411	25.0
85.02950	3.1
89.02460	2.5
90.97131	2.9
93.03517	2.4
99.92601	10.1
101.02456	7.8
116.92853	4.3
141.01697	32.3
142.02065	3.5
205.27376	2.5
261.05551	6.4
262.06342	3.7
289.04883	4.9
296.70224	2.7
307.06195	3.3
334.04987	7.4
335.05539	15.8
363.00540	5.7
363.05066	100.0
399.23807	6.1
482.16272	16.0
504.64191	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17947	0.1
59.01372	0.4
61.98823	0.4
65.33673	0.1
65.99856	0.2
66.03487	0.8
69.00932	0.3
69.14743	0.6
71.01397	0.2
71.02503	5.2
72.00909	6.2
74.02475	3.2
77.18537	0.1
78.95898	0.2
80.05058	0.9
82.01741	0.7
82.06628	2.4
83.02508	0.5
84.00893	0.2
85.02950	0.1
85.04086	1.3
91.05533	2.3
93.03461	9.1
94.06631	0.3
95.02534	0.5
95.05032	0.2
96.08195	2.0
97.00441	1.0
97.04085	0.4
97.06580	0.8
98.01225	2.0
98.14663	0.1
98.21817	0.2
99.02006	0.8
100.00451	0.1
100.07702	0.4
103.05557	0.1
106.04250	2.4
107.05042	2.2
108.02178	0.4
108.04548	0.3
108.05299	0.1
109.02958	0.2
110.01232	0.4
110.06123	2.1
111.02003	3.6
112.02795	0.9
112.07709	0.2
115.05538	0.4
116.05062	3.1
117.03477	0.6
117.07117	0.3
118.06630	2.1
119.05030	20.6
120.04575	0.3
120.05376	0.2
121.02933	0.5
121.07745	0.2
123.02030	0.4
123.04487	0.2
123.06916	0.8
124.02763	0.3
125.07151	0.1
127.08784	1.6
128.05084	1.1
128.07181	2.0
130.06624	0.9
131.03818	0.3
131.05026	1.1
132.04552	0.8
133.03024	0.1
133.05341	2.7
134.06125	16.1
135.04543	0.3
135.06456	0.3
136.07689	5.6
137.07225	0.9
138.07994	0.2
139.08778	1.4
140.05064	0.3
143.04999	0.2
144.04567	0.3
145.06590	0.3
146.06123	19.2
147.04524	2.6
147.06497	0.4
148.07729	0.6
149.07130	0.1
151.05142	1.9
151.06325	0.2
151.08755	0.4
152.07117	0.1
153.06703	1.0
155.08284	2.2
157.05342	1.8
157.07712	0.4
158.06116	3.6
159.06912	0.2
160.04057	0.8
160.07671	1.7
160.08945	0.1
161.07239	0.2
162.05614	1.8
163.04012	18.6
163.08688	0.8
164.04420	0.3
164.07198	1.1
165.05502	0.1
165.06636	0.5
165.09055	0.1
166.07487	2.9
167.06143	0.5
167.08252	2.3
170.06120	0.3
171.05634	0.3
171.06920	0.3
172.04053	0.4
172.07654	0.3
173.07166	0.7
174.05585	0.9
175.08742	0.6
179.08310	0.2
180.06660	62.7
181.06969	0.9
184.06342	0.2
185.04747	0.1
185.07176	0.4
186.05602	3.0
186.12881	0.3
187.05136	0.3
187.08778	0.3
187.11320	0.5
189.06694	7.6
190.05208	0.5
190.06709	0.1
191.08266	4.2
192.08679	0.1
195.05591	0.1
196.11288	0.5
197.07208	0.3
198.12860	0.2
200.05928	0.4
201.06718	0.4
202.07526	0.2
203.08281	1.8
204.06685	0.4
206.04601	0.9
208.06371	0.2
209.07195	29.5
210.07590	0.6
212.10809	0.2
213.06706	0.4
213.13959	1.1
214.07478	2.7
214.12376	5.1
215.12692	0.2
216.13843	0.1
217.06218	0.2
218.06990	2.4
218.09117	0.1
221.09340	2.2
223.06042	0.2
223.11243	0.2
224.06361	0.2
224.09547	0.4
225.13965	1.6
226.12238	0.5
229.13399	0.5
230.11847	0.3
231.07607	0.6
231.15018	0.2
232.11237	0.2
237.10603	0.5
238.11133	0.3
239.11900	4.5
240.08049	0.1
240.10269	3.1
241.10875	0.2
241.13463	0.4
242.11870	1.1
246.06500	0.2
247.14606	0.3
248.10851	0.7
251.11911	1.6
252.12672	7.1
253.06242	0.2
253.13341	0.5
255.11282	0.3
256.12131	0.2
256.14584	0.3
257.12955	26.0
258.11258	0.4
258.13547	0.7
259.14529	0.3
260.10751	0.3
264.10291	2.1
265.13397	0.5
266.11841	9.2
267.12262	0.3
271.14621	0.2
272.13226	1.1
273.12134	0.1
275.14026	5.4
276.10379	0.4
279.10971	0.1
281.12943	1.2
283.14566	1.0
291.13812	0.2
292.09802	2.8
293.10080	0.1
294.11316	0.5
297.12418	0.2
299.12012	0.2
300.12576	0.7
300.17502	0.3
307.10858	0.3
307.14462	0.2
309.12411	2.1
309.15762	0.2
310.10828	3.4
314.15143	0.4
315.18671	1.0
316.16971	0.2
324.21915	0.1
325.11908	0.4
327.13483	14.3
328.13861	0.5
333.12485	0.2
338.15170	0.2
343.18149	22.8
344.18433	0.9
353.11429	1.0
359.17670	0.7
361.19052	0.3
369.16010	0.3
377.18909	0.6
386.18826	0.4
387.17126	57.6
388.17459	2.5
392.19818	0.3
404.19571	0.6
413.18323	0.2
418.21146	0.1
420.19104	0.2
450.20328	0.3
457.17523	1.0
462.20517	0.4
506.24777	0.6
524.25507	3.6
525.26221	0.2
529.03387	0.1
550.23724	0.8
568.24500	100.0
569.24823	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	0.8
78.54782	0.1
82.06637	0.6
83.05091	0.2
84.08201	0.2
128.10809	2.1
130.08737	64.0
131.09096	0.7
140.10785	0.2
149.92920	0.2
156.06607	0.2
167.11037	0.2
186.93169	0.2
192.84819	0.2
210.45406	0.2
217.19531	0.2
268.97003	0.2
278.24747	0.3
282.06848	0.2
293.65338	0.2
344.87674	0.2
359.38516	0.2
393.27213	0.2
406.00116	0.2
568.43665	100.0
569.44031	7.1
574.39636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.4
60.09355	0.4
60.60118	0.4
61.98838	2.9
69.25155	1.1
69.25562	1.4
71.01385	1.4
73.02936	1.0
82.95417	9.6
84.95143	0.5
85.02965	0.7
98.21860	0.9
101.02441	1.4
122.65489	0.4
136.49266	0.5
152.07240	0.7
160.04025	0.4
181.05058	0.7
190.05145	0.5
204.05754	0.5
205.06532	1.3
213.12460	1.1
217.06642	1.0
219.08174	0.6
221.06165	0.7
223.07588	0.6
233.06030	3.4
235.07622	1.0
243.04521	0.5
245.06061	2.7
246.06819	1.1
247.07657	1.2
248.04713	1.0
249.05553	2.2
250.06302	1.2
251.07182	0.9
260.04865	0.8
261.05530	7.8
262.06320	1.3
263.07095	6.4
264.04669	0.4
264.07962	1.9
265.05054	0.6
265.08679	1.7
273.05582	0.7
274.06390	1.1
275.07114	1.9
276.04178	0.5
277.05066	5.1
278.05753	1.2
290.05771	1.0
291.06625	31.2
292.07153	1.9
293.04825	0.9
293.08102	6.3
303.06479	0.5
305.04639	1.0
306.05298	0.4
321.03934	2.8
321.07690	5.2
349.03598	1.2
350.04309	17.7
351.04572	0.8
355.13080	1.1
358.42215	0.5
365.06647	100.0
366.06992	4.2
404.75522	0.5
531.27240	0.6
537.23676	0.6
569.13226	3.7
569.25323	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18911	0.2
59.01373	2.9
61.98825	2.6
69.53154	0.5
69.53543	0.5
71.01401	0.5
73.02953	0.6
82.95431	1.0
85.02943	0.5
85.08147	0.3
87.04511	3.3
96.21626	0.2
98.22640	0.5
101.02420	0.7
113.02458	0.3
116.45088	0.3
135.04555	0.4
142.05542	0.3
146.46133	0.3
147.06563	0.4
167.74123	0.2
185.06665	0.3
222.07130	0.3
233.06094	0.5
235.07689	0.3
248.04688	0.4
249.05522	4.7
250.06245	0.9
255.06848	0.3
261.05579	1.4
262.06171	0.3
263.03525	0.6
263.07089	0.8
265.08588	0.3
275.03574	0.5
276.04346	1.0
277.05054	13.5
278.05643	1.1
289.05005	1.4
290.05618	0.9
291.03485	0.5
291.06537	2.6
293.04504	0.7
293.08087	0.4
294.05344	0.3
303.02982	0.6
305.04526	11.4
306.05261	2.8
319.06009	1.1
320.03436	0.4
321.04156	3.3
321.07706	0.7
322.04803	4.4
337.06876	0.3
349.03537	2.7
350.04285	67.3
351.04617	2.6
363.04922	0.6
364.05566	1.2
365.06628	100.0
366.06946	3.8
377.21820	0.5
421.21207	0.4
509.10870	2.6
509.25992	1.0
527.12140	0.4
566.69257	0.3
569.12982	14.9
570.13324	0.7
577.07904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50507	0.4
59.01377	5.5
61.98813	0.5
69.46889	1.4
70.88265	0.4
71.01389	2.7
73.02947	0.9
75.00891	0.6
75.84454	0.4
77.57392	0.3
82.37705	0.4
82.43238	0.4
85.02964	1.0
85.06574	0.5
87.00880	0.7
88.73453	0.4
89.02456	2.1
93.03456	0.6
97.02949	0.4
98.22651	0.6
101.02469	2.6
103.68840	0.4
108.02187	0.6
109.02957	0.8
109.42044	0.4
113.02428	0.9
119.03507	1.4
121.02967	1.2
123.00971	0.4
123.04501	0.5
124.01651	1.7
131.07162	1.1
134.03748	1.0
135.04575	0.6
136.01675	0.4
137.02452	1.6
138.03220	1.5
146.03770	3.8
148.01698	1.1
149.02460	1.8
149.06085	0.9
150.03195	0.7
150.38281	0.4
151.04019	1.7
152.01149	71.2
153.01987	2.0
155.78085	0.4
155.82251	0.4
159.12857	0.4
161.02440	1.1
161.04626	0.9
161.06058	1.2
162.03203	1.4
163.04001	0.8
164.04805	2.0
165.01929	1.2
166.02719	1.2
167.03488	100.0
168.03836	1.5
171.10274	1.4
176.01151	5.1
177.01935	2.7
178.02708	5.6
179.03465	1.0
179.05739	0.6
179.07140	2.6
191.03494	10.5
193.05002	3.9
194.02203	6.1
209.04556	9.4
211.06100	1.0
219.06627	0.5
248.70348	0.4
255.06549	0.4
297.07678	0.6
300.10178	0.7
315.12643	0.5
317.03833	0.4
326.07782	0.5
341.10333	1.4
343.11594	0.5
371.10031	3.6
372.10599	0.9
373.11508	0.7
389.10825	1.4
397.13437	0.5
521.16211	0.7
533.16547	0.9
551.17474	1.8
558.42108	0.4
569.18414	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96437	0.7
57.03448	0.8
59.01379	7.3
61.98830	5.5
66.79365	0.8
66.95909	2.4
69.45373	3.8
70.21870	0.8
71.01380	1.3
80.91653	0.9
82.95414	100.0
87.00891	1.0
99.92574	1.8
101.02432	1.0
113.02442	1.1
116.92856	1.0
117.07407	0.7
141.01671	1.3
162.51450	0.8
171.10172	0.8
191.05579	1.1
241.23048	0.8
316.53607	0.8
365.19562	2.2
483.16312	3.1
507.16354	1.0
579.15240	0.9
598.90448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17258	0.2
53.51623	0.2
59.01377	2.4
59.58215	0.1
69.33651	0.8
71.01378	1.2
73.02946	0.7
74.62121	0.1
75.00865	0.6
85.02940	0.4
89.02440	1.5
99.00864	0.2
99.92586	7.3
101.02456	1.1
109.03407	0.2
113.02445	0.6
114.93418	0.2
116.64054	0.2
116.92859	100.0
117.01934	1.1
117.92871	2.2
119.03496	0.6
119.60325	0.2
122.03705	0.3
149.02454	0.3
149.30240	0.2
150.03227	0.8
161.04599	0.2
162.03246	0.3
165.05580	1.0
167.16995	0.2
171.10300	0.3
177.05545	0.2
179.05656	0.3
181.05040	0.2
186.95387	0.2
195.06631	0.6
245.38608	0.2
328.68384	0.2
373.14999	0.4
397.13382	0.4
448.01578	0.2
451.33069	0.4
521.20221	1.6
522.19446	0.2
569.22424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.273
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
51.67441	1.3
69.20388	6.2
70.42557	1.3
71.54707	1.1
78.95900	67.5
80.37389	1.3
82.36368	1.2
96.96966	16.4
126.05660	1.3
152.99586	51.1
162.84009	1.8
191.58521	1.5
213.17282	1.4
241.01173	27.8
248.41553	1.4
250.16862	1.2
253.21725	67.6
254.22112	2.2
315.04831	10.4
389.20932	4.8
531.13232	1.6
548.39893	1.4
569.27240	100.0
570.27576	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2992
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
65.54170	1.0
66.63234	1.0
68.02205	1.2
71.01379	7.0
71.44189	1.0
73.02917	1.9
78.98586	4.4
79.95728	9.7
80.96513	65.6
85.02969	2.7
87.00842	2.8
94.98093	15.3
96.20609	1.3
97.02910	1.4
101.02451	2.1
106.98096	2.9
122.97577	4.2
125.02425	3.5
127.04047	1.3
134.97569	4.4
136.99115	2.1
148.99104	5.4
152.98587	5.5
164.98619	15.1
206.99660	3.0
225.00758	17.9
269.24902	2.6
299.04343	3.0
372.25989	1.0
569.29974	100.0
570.30334	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94764	1.3
69.41631	5.2
75.56732	1.5
80.90327	1.4
89.69112	1.7
90.27413	1.5
92.78682	1.6
98.48618	1.5
130.08711	7.6
154.99554	1.5
168.93486	1.4
293.21234	5.5
397.34784	2.6
441.33307	1.8
551.41199	2.9
569.42133	100.0
570.42291	5.2
574.81616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08849	8.5
153.12766	4.2
174.25819	4.2
225.47789	4.4
247.20717	5.4
277.21747	34.8
291.19696	41.5
309.20706	100.0
349.77249	4.5
403.07422	3.9
551.41357	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18569	1.1
52.82413	1.0
59.01377	100.0
61.98818	3.4
69.10983	1.9
69.11389	5.1
71.01376	53.5
73.02945	1.8
74.20909	1.2
83.01366	1.4
85.02943	9.7
86.78673	1.4
87.00871	3.0
87.22742	1.0
89.02442	84.0
91.01888	1.5
91.23266	1.2
95.01370	3.0
96.96025	1.7
101.02437	28.1
108.53677	1.1
109.02943	1.5
111.00867	1.4
113.01693	2.1
113.02446	24.9
119.03500	33.2
119.20009	1.2
121.03004	1.1
131.03476	2.9
143.03473	5.0
149.04550	1.8
150.42992	1.2
161.04549	4.0
169.02872	1.8
170.39055	1.2
171.04472	1.6
179.05588	10.1
191.05376	1.3
199.03957	1.7
303.72928	1.2
307.06262	2.0
317.75845	1.3
321.07651	6.6
349.07193	4.4
365.06699	2.3
381.09598	2.2
407.07529	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33751	1.7
50.83393	1.8
50.94984	1.6
53.55393	1.6
59.01385	6.3
61.98830	5.0
69.12135	10.9
71.05013	11.6
75.08797	1.8
76.13403	2.0
89.02409	2.5
101.02464	2.0
104.05038	2.0
108.38132	1.8
177.74107	1.8
205.01198	1.7
219.13989	2.8
225.46205	1.9
253.09239	19.0
291.19650	100.0
292.19894	3.4
527.28381	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24503	0.2
57.03435	0.2
58.02973	1.6
69.03458	0.2
69.47697	0.7
71.56584	0.2
82.06614	0.9
84.08195	0.4
84.62204	0.2
106.42690	0.2
106.82542	0.2
110.09747	0.3
115.47283	0.2
128.10800	4.0
130.08739	100.0
131.08199	0.2
131.09058	1.3
134.72725	0.2
140.10805	0.3
197.68173	0.2
226.64917	0.2
250.21582	0.3
278.24799	0.2
283.85153	0.2
306.24484	0.2
533.88104	0.2
570.45251	50.2
571.45624	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09792	1.2
55.24599	1.0
59.01373	11.1
61.98823	3.1
62.72652	1.2
69.03492	1.0
69.23182	0.9
71.01385	5.3
71.44486	1.1
73.02945	2.5
79.16050	1.1
85.02949	3.3
89.02444	3.9
93.03442	5.0
95.05045	1.5
96.95985	2.1
99.92587	2.5
100.93388	1.1
101.02435	4.3
108.02145	3.1
113.02431	2.5
115.92094	2.2
116.92865	17.1
117.92903	1.5
119.03480	1.8
121.02923	5.1
122.03742	12.9
123.04520	3.7
127.05104	1.1
127.10312	1.0
133.02951	1.9
134.03697	1.5
135.04541	3.7
136.01630	2.1
137.02444	2.0
137.09703	2.6
145.02959	1.7
146.03740	50.6
147.04477	3.4
147.06537	1.7
148.48248	1.0
149.02440	35.9
150.03223	84.9
150.36336	1.5
151.03934	2.6
160.42708	1.4
161.04697	2.0
161.06078	16.7
162.03233	2.1
163.04007	2.9
164.04788	42.6
165.05568	100.0
166.05902	1.6
175.03981	2.3
177.05579	1.9
179.07127	79.7
180.04289	6.1
180.07632	1.1
190.08315	1.0
191.02092	1.1
193.16203	1.2
195.06618	76.0
196.06877	1.3
214.74495	1.2
244.88762	1.0
248.81476	1.1
269.08084	1.7
270.08810	1.4
312.10110	6.3
313.10742	3.8
327.12329	18.2
343.11841	33.5
344.12320	1.5
349.20126	2.0
391.13950	6.7
487.62585	1.2
511.25067	1.3
523.19781	20.8
524.19702	1.5
527.92847	1.1
535.18280	1.9
535.31128	2.6
571.11041	2.8
571.21167	2.6
571.27289	1.4
577.95648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98817	8.4
62.27015	2.9
70.45120	5.6
71.01388	4.8
84.04453	3.0
85.02950	2.7
98.21840	3.5
99.92564	14.9
100.93358	5.5
101.02435	3.8
115.92022	6.4
116.92845	19.3
128.30421	2.8
167.86130	3.2
225.52916	3.1
290.05768	3.4
304.03787	4.2
319.06021	8.0
335.05637	2.9
379.08148	27.5
535.16425	8.9
571.18671	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
71.00030	0.6
78.95903	58.1
79.62551	0.5
87.59178	0.5
96.96960	10.8
103.01474	1.0
114.78248	0.5
134.98569	0.6
142.35789	0.5
143.85484	0.6
152.99596	55.2
175.03258	0.5
223.00089	1.8
241.01189	29.6
255.23291	68.5
256.23550	1.5
315.04907	8.6
382.69693	0.5
383.73792	0.5
391.22473	6.2
412.08154	0.6
428.00229	0.6
497.12674	0.6
571.28851	100.0
572.29041	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25628	0.5
64.66840	0.5
70.49805	1.0
78.95901	59.0
96.96355	1.1
96.96957	12.5
120.23220	0.5
126.21736	0.5
131.42542	0.6
134.98489	0.6
148.40382	0.6
150.97998	0.7
152.99586	55.8
158.78004	0.7
171.00764	0.7
223.00229	1.8
241.01173	33.6
243.78761	0.5
255.23285	76.9
256.23572	2.8
268.95453	0.5
271.04916	0.5
295.70657	0.6
315.04849	9.5
391.22540	4.7
571.28857	100.0
572.29132	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08702	1.5
58.00578	1.7
59.01377	100.0
61.98839	1.9
69.14156	4.4
69.14556	3.3
71.01379	54.6
72.99309	1.6
73.02946	1.6
83.41150	1.6
85.02965	6.9
87.00871	3.3
89.02441	95.2
95.01402	3.1
98.21794	2.5
101.02446	30.4
106.78677	1.3
113.02451	26.3
119.03500	32.3
131.03499	4.4
135.63707	1.3
143.03523	8.1
149.04553	2.9
159.05435	1.3
161.04567	7.1
179.05605	20.2
188.04997	1.3
209.71461	1.4
223.49158	1.2
262.37494	1.6
273.50726	1.5
280.65570	1.6
322.19815	1.5
367.08383	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.9
59.01403	1.6
66.03500	0.9
68.01429	1.1
70.02995	3.0
71.01405	1.5
71.02527	1.7
72.00925	1.9
72.99304	6.9
73.02977	1.8
81.04599	1.6
82.02991	4.5
85.02950	15.5
93.04587	1.1
94.02953	0.6
96.96019	1.0
97.04100	1.7
98.02474	5.1
99.00871	4.1
99.92622	0.8
100.04048	6.3
101.02444	5.3
101.06099	2.0
103.04009	8.8
107.03820	0.9
109.04086	1.4
112.04037	0.8
114.01974	4.6
115.05133	5.1
116.03529	1.3
116.92873	4.1
117.92876	3.4
118.92646	3.2
122.06110	1.3
125.03571	0.6
127.05132	1.3
128.03545	3.2
135.05652	3.1
143.04636	12.4
144.03029	100.0
145.03317	1.1
145.06163	0.8
147.06635	64.0
148.06981	0.6
150.03221	0.7
150.05580	2.6
151.03705	0.7
152.07095	0.7
153.06670	4.9
161.05777	0.6
162.04088	1.8
165.05498	0.9
165.06700	2.3
179.04622	7.5
183.07703	1.8
193.94582	0.5
197.05646	4.9
200.05659	0.6
208.06091	5.4
209.05629	3.4
218.08199	0.7
227.06763	2.5
245.07698	3.4
261.08725	0.5
268.06778	0.6
271.05670	3.6
277.08044	0.6
278.06525	0.7
279.09851	15.3
281.52863	0.5
303.98151	0.5
318.14380	1.8
344.12408	3.2
362.13568	3.1
380.14481	0.9
388.11475	3.0
406.12531	16.9
415.92593	0.5
424.13608	61.3
425.14001	2.8
427.16867	2.1
475.35211	0.5
513.34998	0.6
554.19556	1.9
572.20813	6.0
573.11652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.1
61.98812	7.0
69.20818	14.1
71.01369	3.8
85.02941	2.8
97.00594	2.5
101.02456	3.3
131.10149	2.9
195.13885	9.0
253.09271	34.1
275.20099	7.8
293.21255	100.0
294.21512	3.9
400.57919	3.0
530.30304	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	21.9
61.98824	16.3
69.11903	36.5
69.56022	5.9
71.01360	9.3
77.59135	5.9
89.02377	7.3
101.02457	8.9
113.67578	6.9
134.94044	6.6
171.10191	8.5
208.92857	5.9
235.16962	35.9
245.22601	6.3
253.09369	35.6
263.45078	6.2
275.20074	62.1
293.21191	100.0
303.88562	6.0
479.55673	7.3
493.90720	7.2
545.97662	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
57.03440	3.4
59.01375	31.4
61.98823	1.0
69.31862	3.2
71.01377	100.0
72.01724	0.7
72.99308	1.3
73.02946	14.2
74.74961	0.6
75.00892	0.7
82.95398	0.6
83.01385	5.9
85.02944	17.8
87.00890	1.6
89.02439	6.6
95.01388	2.6
97.02961	1.4
99.00887	5.4
101.02438	27.5
113.02448	14.1
115.04036	1.2
119.03507	1.7
125.02409	1.4
143.03537	1.1
151.40018	0.6
152.01180	1.1
153.02194	0.7
159.03004	2.7
161.04498	6.3
173.04584	1.2
187.90610	0.7
288.52063	0.6
293.08658	1.2
294.78848	0.6
305.04544	1.5
338.08008	1.4
353.10242	2.7
368.95197	0.6
429.10364	4.6
545.55420	0.6
573.16034	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73049	1.7
57.03426	2.6
59.01379	100.0
61.98835	8.6
69.04568	9.7
71.01382	50.1
72.99286	2.4
73.02940	5.2
83.01368	2.6
83.05034	2.6
85.02934	9.8
87.00854	5.1
89.02447	62.5
94.98078	1.6
95.01382	4.2
96.96015	5.8
99.00871	1.8
99.04453	1.7
101.02422	23.4
108.02177	3.2
109.03015	2.4
113.02462	28.4
116.92890	9.0
117.92855	2.7
118.92682	3.5
119.03509	26.5
123.04512	2.5
131.03502	5.0
143.03482	6.8
150.03207	3.8
159.03017	2.4
161.04578	12.4
165.05547	7.0
179.05611	48.1
191.07204	2.1
195.06604	3.5
267.06604	2.6
281.08057	2.7
295.19141	6.0
296.10529	3.2
297.11270	6.3
325.10791	3.0
327.12354	19.3
328.74228	2.0
333.21140	2.1
343.11792	6.8
357.13394	7.3
439.23251	8.3
457.24271	2.6
513.26953	3.8
551.29987	2.3
573.18176	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
55.01879	4.0
55.82803	0.8
57.03423	1.1
59.01383	25.4
60.86050	0.9
69.03455	100.0
69.27510	0.9
70.45156	0.9
71.01389	6.6
71.01720	1.0
72.99313	1.9
73.02959	0.9
74.02456	1.1
79.01903	3.7
83.01373	1.0
85.02981	1.5
89.02430	8.3
93.39793	0.9
95.01427	2.6
96.96009	1.4
97.02956	20.6
98.22032	1.1
99.00883	29.2
101.02444	5.8
113.02435	4.9
119.03500	3.5
122.55713	0.8
123.00818	0.8
141.01949	8.0
161.04559	0.9
163.11293	2.0
179.05658	1.7
185.00906	71.9
186.01282	1.8
203.01926	1.9
207.10231	3.8
339.12387	1.4
351.03671	0.8
387.16589	86.1
388.16837	2.8
537.19806	4.3
544.72675	1.1
545.27930	1.0
573.18188	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51207	1.9
57.03433	6.2
59.01378	56.9
61.98829	3.6
68.03226	2.0
69.03458	2.9
69.45485	4.3
69.45858	3.9
71.01010	3.1
71.01382	41.7
72.99314	2.3
73.02948	22.5
75.00870	4.0
81.03438	2.1
83.01385	5.9
83.05018	12.9
85.02957	20.2
85.58157	1.9
87.00856	9.7
89.02454	21.8
93.03490	4.2
95.01408	4.9
96.96017	3.0
97.06585	2.1
99.00880	5.5
99.04539	3.2
101.02452	28.3
101.08044	1.9
110.35239	1.8
111.00869	3.2
113.02453	21.3
116.92855	3.1
119.03490	7.0
125.02444	2.8
125.06037	4.1
129.01941	4.2
136.01698	2.1
141.01865	3.3
149.89539	2.2
153.01929	3.6
159.03000	4.6
161.04523	11.1
161.09691	2.5
173.04555	4.1
179.05640	6.6
187.09776	2.4
191.10820	3.6
217.00391	3.2
235.08101	3.2
259.17007	11.6
277.18027	26.2
302.24979	1.9
305.08704	4.0
333.20554	4.0
351.21744	2.5
380.12830	2.2
439.23364	100.0
440.23737	2.6
487.17496	2.8
513.26691	3.7
541.23431	2.1
573.12036	2.4
573.27710	2.9
599.27863	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02218	0.1
61.98827	100.0
62.98546	0.1
64.08109	0.1
69.12305	0.5
79.75365	0.1
104.02763	0.1
153.84308	0.1
160.73949	0.1
165.21562	0.1
230.07089	0.1
320.06683	0.1
379.08273	0.2
380.08395	0.2
382.08954	0.2
419.28290	0.1
453.84839	0.1
471.01004	0.1
493.94583	0.1
515.20319	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43294	0.4
59.01383	1.9
61.98815	1.0
69.03433	0.7
71.01376	0.7
76.64172	0.4
85.02947	0.6
89.02450	0.4
93.03468	0.8
101.02439	0.5
114.05590	2.6
115.98520	0.3
119.01406	0.6
130.08752	0.6
132.02165	1.6
135.00874	1.0
137.02457	0.5
147.00871	0.9
149.02429	0.4
151.03911	0.4
163.00371	8.8
167.05017	0.4
172.09798	0.9
175.00339	2.2
176.01021	0.6
177.01830	0.5
181.06551	0.4
195.04558	0.6
196.05331	0.8
197.06165	1.3
198.03116	0.4
199.04022	0.6
202.99969	0.4
209.06061	0.4
211.03981	1.6
212.04765	1.4
213.05537	1.1
223.04039	1.0
224.04784	1.1
225.05533	1.7
225.95416	0.4
226.02820	0.9
227.03476	1.1
227.55641	0.4
239.03497	19.1
240.04182	4.1
241.05034	3.3
251.03548	0.9
253.05070	0.9
254.02017	0.4
255.03064	1.6
267.02969	7.1
268.03763	14.9
269.04507	8.1
284.03366	2.7
295.02496	0.6
295.08173	1.0
296.03247	43.7
297.03992	17.9
297.07422	0.8
298.04727	0.9
299.05472	0.8
367.76825	0.4
447.09183	4.2
459.09317	100.0
460.09698	4.6
536.24548	0.5
574.15308	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	62.6
61.98827	7.6
69.40057	10.7
71.01379	40.9
73.02938	11.2
74.02453	2.8
80.96502	6.3
81.88388	2.2
83.01387	6.1
85.02943	21.1
87.00883	5.0
89.02448	33.2
96.96018	4.1
100.93456	2.7
101.02444	27.6
111.00882	4.7
113.02457	13.9
113.18351	2.6
119.03495	10.5
131.03502	2.8
133.02924	4.3
141.01685	6.7
143.03467	3.7
149.02451	12.3
150.03210	23.0
161.02466	4.3
161.04556	6.5
165.05563	22.5
166.06265	2.7
166.62494	2.9
173.04517	3.4
179.05627	13.5
181.08694	4.4
191.05624	43.5
195.06624	8.0
225.11334	4.8
314.11621	4.5
327.12207	3.5
329.13974	12.5
339.08917	4.1
343.13995	6.7
360.09393	3.7
407.49203	3.0
491.19235	84.7
492.19724	3.6
515.28680	6.2
517.30322	7.1
539.21338	100.0
540.21887	5.3
543.17761	3.7
551.38965	2.9
575.27863	4.7
595.23938	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.2
60.99304	14.2
61.98839	3.1
69.52061	5.0
71.01377	3.8
88.98810	100.0
96.96004	3.7
101.65691	2.0
116.92760	2.1
127.29723	2.1
128.03540	4.4
136.03970	2.1
148.90910	3.1
163.23944	1.9
261.13559	1.9
262.29233	2.0
488.12570	2.2
489.13174	9.9
490.12595	2.8
575.29962	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54270	0.3
54.56300	0.3
59.01373	3.8
61.98816	0.5
69.03459	0.6
71.01370	1.4
73.02959	0.5
79.89601	0.4
79.95758	1.3
80.96526	0.6
83.59043	0.4
85.02928	0.7
89.02445	0.7
94.87489	0.4
96.96008	100.0
101.02431	0.6
117.60668	0.4
129.01958	0.4
131.12361	0.5
159.91013	0.3
161.13263	0.5
187.11432	0.4
191.05579	0.6
205.12372	0.7
215.85060	0.3
224.90530	0.3
283.10300	0.8
286.48480	0.4
287.09570	22.2
411.07263	0.6
413.25137	0.4
493.99118	0.4
503.04520	0.4
575.14063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23606	0.9
57.03453	1.0
58.00580	1.1
59.01376	100.0
61.98820	3.1
69.03455	2.0
69.08390	5.5
71.01379	23.2
72.99301	1.9
73.02943	36.2
73.03359	1.7
75.00890	0.9
81.03465	1.1
83.01392	1.2
85.02944	13.4
86.00085	1.4
87.00867	7.4
87.04511	2.9
89.02442	23.4
89.88734	0.8
91.47588	0.8
93.03449	3.1
96.96000	1.6
97.02940	1.0
97.32827	0.8
99.00856	1.9
99.04471	0.8
101.02438	50.3
103.04011	20.2
107.34470	0.8
109.02939	1.3
111.00873	3.1
113.02453	3.1
115.04030	9.2
119.03503	9.4
121.07561	0.8
124.94756	0.9
125.02445	2.3
125.05045	0.7
127.03998	2.6
131.03516	7.2
134.54315	0.8
137.02386	1.1
143.03476	9.7
143.14691	0.8
145.05064	5.8
147.04472	0.8
149.02419	1.2
155.50780	0.7
161.04568	1.9
163.06117	85.9
165.05617	1.5
173.00903	1.4
173.04518	6.4
179.05637	1.6
191.05566	4.7
198.29221	0.7
205.05220	1.3
205.07140	15.9
235.08147	1.0
244.27124	0.8
265.05106	1.1
265.09207	4.1
267.12393	1.2
281.04547	2.0
307.10312	1.1
310.04700	0.8
324.06412	1.0
325.10843	1.0
339.08557	1.3
341.10422	0.8
357.09857	1.9
383.07675	7.7
457.24725	1.4
471.15744	1.1
515.29962	1.0
518.49829	0.9
575.14307	1.9
575.27356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15403	1.0
59.01111	1.5
59.01377	15.9
61.98813	2.5
71.01374	2.3
71.40797	1.1
89.02426	2.6
101.02439	3.5
106.41809	1.1
133.24771	1.1
166.01643	1.0
187.94498	1.0
235.08344	1.8
253.09328	11.6
259.63718	1.4
279.23288	100.0
280.23792	1.9
341.88678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.08422	1.1
79.95747	0.2
80.96517	1.3
94.98102	0.2
148.99106	0.2
164.98619	0.3
225.00702	0.3
277.21744	0.3
278.22098	0.4
279.22223	0.2
379.63455	0.2
577.26807	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.6
61.98818	6.0
69.48172	5.7
71.11060	1.2
73.04073	11.4
84.00916	4.3
85.04058	3.2
88.78555	1.3
99.01991	2.6
104.70638	1.3
112.02873	1.3
112.05177	2.5
113.03584	9.1
115.08768	6.0
125.03555	2.5
125.07224	1.6
127.05114	1.6
127.08745	2.9
128.34189	1.3
130.06161	1.3
137.07161	5.3
141.06715	3.3
154.09874	11.3
155.08235	8.9
168.11363	2.6
172.10944	8.9
180.11389	1.6
211.11952	16.9
213.19688	5.6
223.11980	9.5
225.19693	3.2
229.13086	21.6
235.18155	2.7
236.16629	1.9
241.13121	4.1
252.20787	6.3
253.19130	5.9
266.22379	2.5
270.21854	5.8
308.26974	2.7
309.22903	12.2
324.26505	3.0
327.23962	19.8
350.24530	11.7
351.27621	11.7
369.28503	4.9
393.49133	1.7
422.31555	2.3
466.30322	99.1
467.30585	5.4
478.30273	23.4
496.31378	100.0
497.31699	5.0
522.33136	3.8
540.34021	39.0
541.34167	2.2
576.31702	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.317
Annotation	Dihydroergocryptine
Peak:m/z	Relative Intensity
50.66426	1.6
57.03439	1.9
59.01379	40.2
60.62434	1.6
61.98821	2.4
62.31640	1.6
69.05618	1.6
69.17526	10.2
71.01387	15.6
77.61743	1.6
79.36683	1.4
80.47587	1.4
81.48485	1.4
83.01400	1.4
85.02951	2.6
89.02451	15.1
98.22616	3.3
101.02452	11.8
106.06606	5.1
113.02439	5.6
119.03500	4.7
129.15901	1.5
131.07137	2.1
200.70522	1.5
211.53329	1.6
270.14838	1.7
309.81403	1.5
378.24271	5.7
396.25717	9.5
576.31732	100.0
577.32056	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11356	0.7
59.01379	28.0
61.98821	1.5
64.65497	0.7
70.69675	1.2
72.00710	0.7
78.95902	25.3
80.28169	0.8
80.78512	0.7
80.96501	2.2
152.99599	4.5
168.04326	5.2
224.06934	8.9
242.07925	2.4
277.21713	100.0
278.22031	2.1
338.92316	0.8
396.26010	0.7
471.44922	0.8
502.29364	92.8
503.29843	5.0
577.26746	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.1
61.98820	3.0
69.36823	3.9
71.01375	3.3
73.02946	0.7
83.82375	0.8
85.02938	2.9
89.02410	1.1
93.03449	1.0
99.00878	0.9
101.02446	1.7
111.00880	1.4
112.91958	0.7
116.92869	0.8
144.51128	0.8
168.75021	0.8
173.04500	1.5
183.15143	0.7
191.05579	2.6
196.86877	0.8
223.49669	0.8
247.03976	0.8
248.04764	0.8
249.09073	1.1
260.04767	1.1
261.05530	1.2
262.06256	1.0
273.05472	1.7
275.03671	3.4
275.06668	0.8
276.04294	1.8
277.05157	1.9
277.08655	0.8
281.17233	0.9
289.05023	6.6
290.05801	7.9
291.06500	2.6
292.07248	0.9
304.03741	7.9
304.07455	3.8
305.04468	5.3
305.07870	1.8
319.06122	16.9
320.06903	4.2
334.08313	2.0
335.09164	1.6
340.09375	1.2
355.11887	1.7
364.05765	3.5
365.06827	1.1
366.07431	1.8
379.08191	100.0
380.08600	3.8
531.28247	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87028	0.9
58.85831	0.9
59.01373	7.1
61.98828	6.9
63.74079	1.0
69.36856	3.8
69.37270	1.8
69.68015	1.2
71.01376	1.8
85.02950	1.5
93.03465	1.6
96.96006	2.6
98.21883	0.9
101.02460	1.0
104.74020	0.9
105.03454	2.1
113.02467	1.0
121.02931	3.1
125.06113	2.3
136.59512	0.9
149.02435	100.0
150.02817	2.4
155.08282	2.9
163.04001	0.9
173.02524	1.6
175.00395	1.6
180.06651	1.3
191.03545	5.4
193.05077	1.2
203.33774	0.9
254.69902	0.9
266.86496	1.0
275.09247	36.1
284.62775	0.9
317.10272	1.6
355.11810	1.3
371.10031	1.5
379.08218	2.4
383.84457	0.9
437.14639	9.2
497.16629	5.4
577.12335	3.6
577.26086	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
59.01379	27.5
61.98818	7.0
65.00308	1.2
65.35638	1.2
71.01398	3.3
71.43714	1.4
73.02939	2.1
81.03465	17.0
83.01396	5.3
85.02945	5.5
89.02489	2.7
93.03452	5.3
95.05018	8.9
96.95997	9.5
97.02947	6.1
99.04507	8.7
101.02438	2.2
107.05028	1.7
109.02959	3.1
111.00883	3.3
111.04539	2.5
117.03493	2.2
119.05028	4.0
121.02965	3.7
123.04527	13.6
125.02446	22.0
125.06096	1.8
133.02982	2.7
135.04532	8.6
137.02411	6.8
139.03986	6.1
141.05557	1.2
147.04549	5.3
149.02443	14.7
151.04021	7.5
153.01985	2.7
154.00755	1.4
159.04541	1.6
161.02388	6.9
161.06047	1.6
163.00327	2.2
163.04082	6.6
164.01166	20.8
165.01891	5.3
165.05554	4.6
167.03494	87.9
168.03831	1.3
169.30597	1.4
173.00928	2.3
173.04573	4.1
177.01933	3.1
177.05518	1.3
179.03491	49.2
181.05092	4.1
189.05554	2.8
190.02676	2.4
191.03505	20.1
191.05612	11.2
203.03589	2.4
205.04980	1.6
209.04570	9.6
215.03596	2.6
221.04567	1.4
223.06087	2.0
233.04543	8.1
242.02057	1.4
251.05603	16.5
270.01740	1.8
271.02481	1.6
281.04462	2.0
283.05991	8.7
289.04822	1.6
293.06848	3.9
293.10275	23.6
295.06158	1.6
305.10306	3.6
311.05142	6.7
311.07733	20.5
317.10010	1.7
319.05826	1.5
323.05548	2.1
341.06674	7.3
355.11890	1.6
359.15005	3.6
371.09821	21.8
377.12311	1.4
379.08087	7.9
403.13602	1.7
413.08963	2.6
431.09775	3.7
437.14514	32.0
497.16641	100.0
498.16986	4.4
533.29541	5.5
577.12152	12.1
601.93054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52690	0.2
57.03436	0.2
59.01378	3.5
61.08321	0.2
61.98827	2.5
65.00314	0.6
71.01382	1.0
73.02936	0.3
78.65482	0.2
78.91860	0.2
79.27299	0.2
81.03483	0.4
83.01417	0.2
84.81335	0.2
85.02960	0.8
87.00829	0.2
89.02435	0.6
93.03460	0.5
95.05035	0.4
96.95999	2.1
101.02438	0.6
105.03456	1.6
107.01369	1.3
110.69777	0.2
111.00893	0.3
113.02411	0.3
116.92831	0.3
117.03437	0.3
119.03502	0.4
119.05018	0.3
121.02938	2.0
123.03699	0.2
123.04530	0.6
125.02415	0.6
125.06084	2.5
131.01399	0.9
134.03723	0.3
137.02460	0.2
139.03975	0.3
145.02931	0.2
147.04500	0.6
149.02443	100.0
150.02814	1.7
160.01653	0.7
161.02438	0.8
161.04605	0.3
163.04050	0.8
165.05583	0.4
167.03488	0.2
173.01045	0.4
173.02414	1.9
175.00352	1.9
175.04132	0.3
179.03488	0.4
181.05058	0.3
191.02058	0.2
191.03513	5.7
191.05391	0.4
193.05121	0.2
221.06729	0.2
242.02003	0.2
251.05568	0.9
251.16571	0.5
252.16673	0.4
254.27391	0.2
270.01563	0.2
275.09235	40.7
276.09647	1.0
311.07654	0.7
317.10257	1.6
335.11273	0.6
365.06659	0.3
371.09811	1.0
377.12418	0.3
380.70453	0.2
431.09848	0.3
437.14465	10.3
438.14606	0.3
479.15271	0.3
497.16647	7.0
498.16638	0.3
576.27954	0.3
577.12305	2.7
577.22736	0.4
577.27258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04294	0.1
59.01377	8.1
61.98819	0.8
63.02392	1.1
65.00307	0.7
71.01382	2.2
71.54449	0.1
72.99280	0.2
73.02951	1.9
79.50916	0.1
81.03417	0.1
83.01370	0.4
85.02959	1.3
87.00887	0.7
87.04519	0.2
89.02447	2.2
93.03445	0.4
95.01364	0.2
95.88324	0.2
96.96014	0.7
99.00877	0.2
101.01786	0.2
101.02438	3.7
103.04016	1.1
107.01382	1.2
113.02435	0.6
115.03991	0.5
117.03466	2.4
119.03497	1.1
119.05042	0.2
125.02362	0.2
131.03532	0.7
135.04526	0.3
143.03458	0.7
145.05104	0.3
149.02466	0.6
151.00368	0.7
159.03320	0.2
159.04527	1.2
161.02428	0.8
161.04495	0.4
163.06128	5.5
169.06593	0.3
179.05626	0.3
181.06544	0.3
183.04488	0.6
191.05505	0.2
197.06052	0.5
199.03900	0.1
201.05608	0.4
203.03340	0.1
205.07179	1.1
224.04779	0.2
225.05550	1.0
227.03537	0.4
239.03505	0.3
240.04276	0.3
253.05275	0.2
265.09241	0.6
268.03748	3.0
269.04532	100.0
270.04883	3.4
278.58237	0.2
311.05606	0.3
373.13092	0.2
415.23206	0.3
577.15662	4.7
577.29297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38258	0.4
58.47651	0.4
59.01383	1.2
61.98830	3.6
63.24237	0.4
63.96228	1.6
69.03474	0.9
69.17287	2.5
71.01380	7.7
73.02930	2.2
78.98586	7.1
79.95731	10.4
80.96516	71.9
81.03439	0.7
82.52086	0.4
85.02955	2.9
87.00880	3.2
90.92670	0.4
94.98085	15.9
96.96020	1.1
97.02950	2.0
98.22606	0.7
99.00845	0.6
101.02437	2.3
106.98094	4.2
122.97580	3.2
125.02424	2.8
127.04008	0.7
134.97583	5.5
136.99174	1.9
148.99126	6.0
152.98639	4.9
164.98630	12.6
167.00185	0.4
206.99672	2.3
217.52377	0.4
225.00739	13.2
277.21652	2.1
299.04355	3.2
442.56653	0.5
577.26862	100.0
578.18829	0.3
578.27136	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.1
60.16476	1.6
61.98827	2.1
69.23728	6.5
71.01391	2.2
71.54260	1.7
88.81273	1.6
101.02416	3.3
116.92873	1.7
138.06059	1.8
159.88927	1.7
164.21951	1.6
235.08218	2.6
253.09273	10.1
281.24854	100.0
282.25159	5.5
338.69833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52776	0.3
61.98829	100.0
69.19922	2.1
71.01384	0.4
78.95853	0.4
78.98609	0.4
79.95745	0.4
80.96519	6.6
87.00909	0.4
94.98108	1.3
96.96023	0.8
99.04615	0.4
113.40482	0.4
125.02430	0.3
134.97644	0.5
148.99229	0.5
152.98663	0.8
164.98651	1.5
208.36009	0.3
225.00859	1.6
279.23239	0.4
472.34775	0.4
579.28448	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.6
64.55503	0.6
68.01397	0.6
70.75805	0.8
71.01389	2.4
76.05704	0.6
78.95904	23.5
78.98603	1.6
79.95728	3.0
80.96516	19.8
82.96085	1.1
94.98106	5.9
97.02936	0.8
134.97615	0.8
148.99130	1.8
152.99535	3.3
164.98674	3.4
168.04301	4.0
200.60783	0.8
224.06920	10.1
225.00713	2.8
226.01025	1.0
242.07993	2.2
263.02988	0.6
279.23294	100.0
280.23724	3.5
284.00159	0.7
504.30963	90.1
505.31219	4.3
519.27008	0.8
546.53821	0.8
578.27222	33.1
579.27106	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01376	8.7
61.98826	1.4
63.02389	0.6
65.00317	0.5
69.86848	0.7
71.01374	4.7
73.02944	1.5
75.00853	0.5
80.80417	0.4
83.01395	1.0
85.02952	3.4
89.02449	7.0
93.03442	1.0
99.00890	1.8
101.02441	3.3
105.11285	0.4
107.01366	1.3
113.02460	0.9
116.92875	0.4
119.03507	0.6
125.02412	0.5
126.90471	0.6
131.03514	1.0
132.02208	1.0
134.03728	2.7
135.00874	1.7
137.02489	0.5
143.03516	0.4
149.02548	0.5
149.04562	4.7
151.00380	2.4
163.00352	1.2
164.01204	0.5
165.18959	0.4
178.99870	0.9
183.04530	1.0
185.06073	1.0
187.03996	1.3
189.05562	0.4
191.02013	1.0
191.05600	1.9
193.05077	2.9
199.03967	0.7
211.03996	1.3
213.05598	0.6
217.65878	0.5
227.03502	32.3
228.03871	0.7
229.05011	4.1
239.03500	1.2
241.05003	0.6
251.07709	0.6
255.02980	61.5
256.03702	4.8
257.04559	3.5
283.02405	1.0
284.03262	100.0
285.04019	39.9
286.04321	1.3
293.08554	0.5
327.05435	0.4
327.12427	1.1
339.12375	0.7
429.08270	1.8
447.08786	0.5
519.24469	2.3
579.13513	78.6
580.13812	4.5
605.62415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1351
Annotation	LMPK12110490
Peak:m/z	Relative Intensity
52.94195	1.2
57.03438	1.9
59.01367	7.0
61.98812	2.1
63.41268	1.1
69.79318	3.9
71.01381	5.4
80.68025	1.3
83.01385	1.4
85.02946	14.0
87.73003	1.2
88.98795	1.6
89.02435	4.4
96.95994	4.5
98.21912	1.5
98.22475	2.9
99.00867	1.3
101.02412	1.4
109.02932	3.5
111.58462	1.1
121.02901	1.9
129.01924	2.0
133.02953	15.1
134.03728	2.0
134.49507	1.4
135.04523	3.6
147.04465	1.9
149.02390	3.2
149.06001	1.3
150.03241	2.2
161.02454	1.4
163.03978	1.7
175.03957	3.0
177.01964	4.1
183.38118	1.3
189.05527	1.9
191.01979	4.6
197.04591	1.6
201.01947	2.2
203.03441	3.1
205.01311	1.6
209.02975	5.6
211.03973	1.6
213.05548	1.2
225.05429	1.4
233.04468	1.7
235.02299	1.5
241.04977	1.5
247.70798	1.2
253.04973	2.0
255.02972	1.8
267.06473	1.9
281.04468	1.7
283.02509	1.7
284.03119	1.7
285.04028	2.2
297.03976	5.6
298.04782	13.3
299.05527	5.2
302.81927	1.3
309.04013	2.1
310.04745	2.5
311.05573	13.1
312.06342	12.5
313.07135	12.0
323.05475	2.6
325.06873	1.8
327.05145	9.2
327.12384	1.4
339.05078	21.7
340.05298	1.6
341.06677	8.0
351.04730	1.4
353.06476	6.4
357.06073	3.7
369.06134	54.8
370.06506	2.3
371.07361	2.1
381.06140	8.2
395.07709	1.9
399.07205	44.1
411.07312	6.3
413.80905	1.6
423.07312	3.2
429.08035	12.4
441.08054	5.4
459.09354	25.1
471.09341	2.6
489.10397	46.9
490.11063	1.8
501.10196	1.3
519.11456	25.6
561.12439	4.5
579.13477	100.0
580.13855	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	40.1
63.02395	0.8
69.52617	2.1
79.75911	0.6
85.02943	2.4
86.07812	0.6
86.34879	0.6
89.02452	0.7
93.03474	0.9
98.22672	0.8
107.01389	2.1
118.63081	0.6
126.90410	2.7
132.02196	0.6
135.00943	1.5
136.50909	0.6
151.00371	2.7
159.04532	1.0
163.00398	1.5
166.73204	0.6
175.04143	0.7
178.99901	1.3
183.04578	0.9
185.06107	0.9
187.04019	1.8
191.01900	1.1
194.75993	0.6
195.04420	0.8
209.11804	0.7
211.03958	1.9
213.05588	1.8
225.83232	0.7
227.03500	40.3
228.03835	1.9
229.05042	5.2
239.03452	1.5
247.80632	0.6
255.02969	66.8
256.03644	6.5
257.04489	4.2
267.02869	0.8
281.08252	1.4
284.03256	99.6
285.04001	39.5
285.07324	0.9
286.04395	2.1
297.07626	2.4
309.07651	3.2
309.10950	0.8
312.09906	2.8
324.09882	3.0
327.12360	15.9
339.12354	15.4
387.84854	0.6
429.08069	1.0
447.09308	1.1
559.90149	0.7
579.13519	100.0
580.13727	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
54.68156	0.4
55.01888	0.6
57.03436	0.9
59.01381	9.8
61.98827	2.7
67.02224	0.4
68.99810	0.7
69.03445	0.4
69.12476	2.7
70.62056	0.5
71.01384	6.6
72.99310	0.4
73.02956	2.3
75.00880	0.7
79.95731	0.5
83.01392	1.0
85.02949	5.3
87.00873	0.5
89.02451	3.4
95.01385	0.9
95.05066	0.5
96.96030	0.6
97.02950	0.4
99.28916	0.4
101.02457	4.5
108.02188	0.9
109.02970	2.7
110.62968	0.4
110.96236	0.4
111.00887	1.4
113.02424	2.4
116.92850	1.0
119.03523	2.0
121.02964	1.4
123.00887	2.2
123.04493	0.6
124.01629	0.5
125.02444	1.0
131.03571	0.7
135.04532	0.7
137.02446	10.1
139.03969	0.7
143.03525	1.0
147.03030	0.5
149.02422	1.4
150.03203	0.6
150.99153	0.7
151.00375	14.7
151.04002	1.5
152.01161	1.6
152.04776	2.9
159.04562	0.5
161.02469	0.6
161.04567	1.8
162.03296	0.8
163.04001	1.2
163.06187	0.5
165.01926	0.7
166.02710	52.0
167.03470	3.0
173.00948	0.6
175.03970	0.9
177.01883	2.4
177.05582	0.9
178.02722	1.0
179.05621	1.1
179.07051	0.6
181.05066	62.1
182.05432	0.7
190.06268	0.5
191.01926	1.0
191.03508	1.1
191.05521	0.7
192.04272	1.2
192.05981	0.4
193.04996	1.4
195.03012	0.5
203.03539	0.6
205.05038	1.2
205.08734	1.0
207.02879	1.0
207.06534	0.9
209.04610	1.0
219.06511	0.6
231.05040	2.3
243.03000	0.7
255.03049	0.5
271.02454	1.2
284.03284	0.7
292.03745	0.8
293.04443	0.8
299.01984	0.6
300.02850	1.3
306.05368	0.5
307.06036	1.1
308.06830	0.7
323.09158	1.5
325.14389	0.4
339.12289	1.0
343.21359	0.6
359.11475	1.2
366.07416	0.5
367.08163	1.8
387.10736	13.8
402.13235	6.3
414.21799	0.4
417.15540	100.0
418.15814	4.9
433.24435	1.4
464.17377	0.5
472.81073	0.4
478.72147	0.5
549.19940	1.1
579.07452	2.8
579.21313	1.3
579.30176	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40110	0.6
51.33507	0.6
51.39356	0.5
57.03433	2.4
59.01376	11.5
61.98828	4.9
69.92502	1.3
71.01382	3.6
73.02935	3.7
75.00861	0.8
78.87743	0.6
83.01382	4.9
83.05018	0.7
85.02971	4.2
87.00869	2.0
89.02454	1.4
90.61015	0.6
91.31702	0.6
93.03463	3.4
97.02954	0.8
97.06570	1.1
99.00921	0.6
101.02435	3.3
107.05036	2.0
108.02171	29.1
109.02965	0.9
111.00888	3.0
111.04507	0.9
113.02460	1.7
120.05801	0.8
123.04523	15.1
129.01955	0.7
134.03735	12.3
135.04530	11.7
137.02463	1.9
137.06155	0.7
143.08658	0.6
146.06102	0.7
147.08279	0.6
149.06085	4.1
152.01149	62.7
153.01836	1.2
155.03514	1.2
161.02423	0.7
161.09781	3.7
161.13402	1.9
163.07635	1.0
163.11240	0.9
167.03491	100.0
168.03821	1.8
173.01059	0.9
173.04556	9.3
178.02716	7.7
179.03505	7.7
181.01442	1.7
187.11298	5.2
189.09261	3.8
190.02722	2.0
191.05618	4.6
193.05061	17.9
194.05443	1.1
196.03806	2.4
197.11880	0.8
203.10788	1.3
205.05075	1.6
205.12321	2.2
207.10254	2.5
211.06093	3.1
223.09837	0.9
223.13394	3.1
231.10287	2.4
241.10643	0.9
249.11275	5.7
265.10834	0.8
267.12375	3.4
273.11362	1.4
291.12558	1.5
309.13336	0.9
315.12476	0.9
333.13412	1.8
351.14651	1.2
361.16864	0.6
367.10287	2.0
372.38336	0.6
385.15015	1.5
405.15491	1.1
411.16656	13.5
462.42249	0.7
579.20880	25.5
579.31946	3.8
580.21014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26479	13.3
59.01368	51.1
59.01646	13.9
61.08009	12.2
61.98817	33.1
64.03042	13.2
69.85822	40.8
78.95920	77.1
87.00906	19.1
93.03446	95.4
111.04541	19.1
133.02910	16.5
135.04503	19.6
137.02457	15.5
158.98682	16.8
171.00597	25.7
173.04556	100.0
191.05571	33.4
252.39655	13.3
289.17957	19.3
307.19049	39.3
445.07217	16.6
449.14447	43.2
579.25140	31.5
579.32440	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48861	1.1
52.77469	1.2
54.06860	1.3
56.61763	1.3
57.03448	3.9
59.01378	74.5
61.98832	17.5
69.03458	1.5
69.25359	2.9
69.25740	3.5
71.01381	55.5
72.01719	1.4
72.99319	2.3
73.02943	16.2
75.00905	2.1
83.01395	5.0
85.02943	20.4
87.00882	3.7
89.02444	67.4
95.01405	2.7
96.96001	2.3
97.02935	1.3
99.00886	22.5
101.02443	34.0
109.02872	1.2
113.02454	15.6
115.04028	1.6
116.92867	3.3
119.03515	8.2
125.02437	5.6
129.01901	1.4
131.03523	10.0
134.03784	1.7
149.04558	29.1
150.03256	2.6
161.04576	5.1
165.05528	3.3
166.02721	1.6
179.05618	4.2
181.04999	2.0
189.12816	12.5
191.01959	7.2
191.05602	11.1
195.06633	3.2
207.13928	2.0
209.02983	3.3
221.06638	2.9
233.06763	2.2
251.07657	3.7
293.08734	5.1
301.07382	1.4
311.09622	1.4
327.12375	1.9
381.08356	1.3
387.10837	6.6
387.20200	7.7
417.15817	2.5
510.67661	1.5
519.24512	100.0
520.24780	4.2
563.34473	1.3
579.13629	2.0
579.22571	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80441	1.7
57.03448	2.9
58.00599	2.0
59.01379	88.6
61.51271	1.7
61.98540	3.0
61.98829	38.5
71.01379	53.8
71.05621	1.9
72.99300	3.5
73.02946	22.1
75.00884	2.2
85.02943	26.6
89.02441	100.0
96.96027	4.6
97.02938	2.0
99.00879	28.7
101.02447	48.3
108.02132	2.8
109.02957	2.0
113.02460	11.7
115.03966	2.0
119.03474	4.8
123.00845	3.1
123.04566	3.1
123.89560	1.6
125.02435	5.8
129.01906	2.3
131.03513	16.6
133.01324	1.8
137.02345	1.8
138.03227	3.0
143.03491	4.1
146.03709	2.0
147.02977	1.9
149.04552	83.4
150.03189	5.7
161.04552	5.8
165.05579	5.9
166.02730	4.0
175.03975	3.4
181.05029	9.7
191.01939	7.4
191.05611	20.7
195.06689	3.8
209.02969	9.3
221.06693	8.2
226.47388	2.4
247.02390	2.4
251.07735	10.3
262.04788	3.8
263.05515	4.0
293.08832	5.1
311.09961	9.1
312.10043	2.0
318.80688	1.7
327.12378	7.5
387.11026	2.6
417.10916	2.9
417.16223	8.2
519.24420	19.6
579.16608	2.9
579.29816	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01864	0.4
55.01879	2.6
57.03452	2.0
58.00594	1.0
59.01381	62.3
59.54936	0.4
61.98833	2.5
66.21120	0.4
69.08595	2.1
71.01383	43.8
72.99288	1.0
73.02941	8.4
75.00873	0.5
83.01382	4.6
83.18222	0.5
83.79917	0.3
85.02953	17.7
87.00874	1.9
87.04523	0.7
89.02447	30.3
95.01387	3.4
95.67626	0.4
96.96006	0.8
97.02943	1.0
97.11884	0.4
99.00871	3.0
101.02448	27.3
111.00885	0.9
113.02457	16.4
119.03503	11.7
125.02484	0.7
129.01945	2.2
131.03510	1.5
143.03488	2.6
149.04559	0.8
159.03023	1.1
161.04562	8.3
167.03491	0.5
168.08438	0.4
173.04570	0.8
175.04037	0.7
177.12939	0.4
179.05603	5.7
191.01964	0.9
191.05609	0.8
209.04646	0.5
297.20212	0.4
343.21057	0.5
399.23743	0.6
417.24936	25.7
418.25204	0.6
445.39642	0.4
479.30341	0.5
479.37222	0.5
579.30212	100.0
580.30505	4.8
594.68103	0.4
594.77850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22425	0.4
51.34735	0.3
52.63299	0.3
55.01873	2.0
57.03450	2.7
58.00597	0.8
59.01377	59.5
61.98833	1.8
67.52860	0.4
69.03458	0.5
69.21027	0.6
69.21438	1.2
70.26474	0.3
71.01379	42.0
72.99302	1.6
73.02945	8.3
75.00874	1.0
83.01383	4.4
85.02947	16.5
87.00866	2.3
87.75908	0.3
89.02442	26.2
93.03483	0.4
95.01392	3.2
96.96027	0.8
97.02968	0.7
99.00877	2.4
101.02441	28.6
109.02943	1.1
111.00879	1.4
113.02448	15.9
118.49447	0.3
119.03493	11.3
119.04314	0.7
121.02941	4.8
122.03789	0.6
123.04529	0.4
125.02510	0.6
129.01935	2.0
130.52539	0.3
131.03516	1.0
135.04498	0.6
136.01656	5.4
143.03502	2.5
147.04543	0.8
149.04570	1.0
151.04010	9.7
159.02998	1.8
159.04417	0.4
161.04558	9.3
161.05858	0.3
165.05582	2.6
179.05603	5.4
179.07117	1.1
191.01953	0.5
255.19748	0.8
281.07993	0.5
297.11310	0.5
317.17462	0.5
342.10999	1.0
343.21155	1.2
357.13422	15.0
358.13757	0.6
360.15936	1.6
375.18091	8.1
417.24918	22.1
418.25079	1.1
579.30188	100.0
580.30609	4.1
603.52747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66059	0.3
59.01387	2.8
61.98812	1.1
69.06989	2.5
71.01378	1.7
71.02512	3.7
72.00915	1.2
73.02947	0.4
74.02484	1.9
82.06642	0.7
85.02937	1.9
85.04078	1.1
89.02447	1.6
91.05538	1.8
93.03450	3.6
97.00425	0.6
98.01237	0.9
99.02010	0.4
101.02467	1.3
106.04240	1.5
107.05016	1.3
110.06119	1.8
111.01997	10.6
112.02824	0.4
112.07683	2.4
113.02428	0.5
116.05042	1.3
118.06628	0.6
119.03507	0.5
119.05015	5.9
121.02988	0.6
124.02779	0.6
127.08760	2.3
130.33086	0.4
132.04648	0.4
133.05347	1.0
134.06119	13.4
136.07686	5.7
137.95561	0.3
142.71431	0.3
146.05058	0.6
146.06125	6.8
149.07214	1.5
153.06709	2.1
154.07504	1.8
155.08255	1.6
157.13460	11.1
160.03969	0.4
160.07622	0.7
161.04617	0.5
162.05675	0.6
163.04013	4.7
163.08762	1.3
164.07196	0.9
167.08340	0.4
174.05583	0.5
180.06656	19.9
186.05536	0.4
189.06709	3.7
191.05605	1.0
191.08275	4.0
198.05623	0.6
203.08246	0.6
207.76105	0.4
213.13939	1.9
215.08124	0.8
218.06932	0.9
221.09305	1.4
225.19670	2.0
240.10254	1.0
241.06285	0.4
250.19414	0.8
257.12802	1.0
264.10321	1.2
266.11847	11.2
267.87436	0.3
268.20306	3.2
281.12912	0.6
283.14349	2.0
284.10364	0.4
309.12378	1.1
327.13538	10.0
354.25504	2.2
378.14609	7.2
394.21252	1.1
398.24527	4.6
399.71326	0.5
417.24802	1.1
421.20056	2.6
429.28726	0.4
438.20630	1.7
465.18903	1.7
466.19864	0.6
466.44891	0.4
535.32703	1.5
537.23590	0.7
579.31824	100.0
580.32135	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01381	6.7
61.98828	100.0
71.01381	4.1
73.02921	0.4
82.27162	0.3
85.02946	1.9
89.02441	5.5
93.03484	0.5
95.01406	0.4
96.59422	0.3
96.96034	0.4
101.02456	1.5
113.02482	2.2
113.71418	0.4
119.03497	1.6
119.05042	0.6
129.10306	2.0
134.06189	0.5
143.03575	0.4
143.11882	0.5
149.02455	0.8
149.04631	0.3
150.03209	0.5
155.08286	3.3
155.11874	0.3
161.04628	0.5
163.04037	0.9
164.04771	0.5
165.05614	0.6
166.02773	0.8
179.05618	2.5
180.06679	3.1
181.05055	0.8
182.05466	0.4
187.10915	0.4
191.02086	0.6
195.06802	0.3
249.16130	1.1
275.14218	0.4
293.15219	1.8
327.12607	0.5
335.31882	0.3
351.95380	0.3
388.10684	0.4
417.15604	0.7
418.15948	1.4
517.30316	16.8
518.30627	1.1
520.24951	0.7
581.22888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72359	0.3
61.98830	100.0
66.71542	0.3
70.70763	0.4
118.27884	0.3
125.87321	0.6
157.49223	0.4
181.12392	0.6
207.10341	1.0
215.45569	0.3
225.11324	5.6
291.19781	2.0
336.30701	0.4
393.31830	0.7
430.23819	0.5
437.30762	0.9
455.32092	0.7
481.30167	0.4
499.30664	21.5
500.31244	1.4
508.11520	0.4
517.31580	0.8
604.94891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83469	0.3
61.98827	100.0
71.01386	0.5
71.21060	0.4
78.95922	0.6
78.98622	0.4
79.95753	0.4
80.96516	3.9
85.02969	0.6
94.98096	1.1
96.96027	2.5
152.98561	0.5
155.62212	0.3
164.98651	1.0
225.00829	0.9
321.14612	0.3
371.24927	0.3
423.22043	0.3
470.25616	0.4
581.29803	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.9
69.10746	2.4
69.33118	2.4
69.76354	9.2
71.01340	2.2
75.27705	2.4
78.95899	100.0
79.95728	5.7
80.96518	13.7
94.98099	4.2
96.96004	67.4
98.95633	5.4
98.96329	2.3
99.92593	10.5
100.93353	14.5
103.24625	2.3
112.08172	2.5
115.92085	26.1
116.92854	29.5
150.65622	2.7
150.98000	5.2
152.99577	24.9
154.89876	3.0
160.82391	2.4
163.89775	3.2
164.90472	11.9
164.98550	3.2
171.00633	8.7
172.95425	4.4
178.88373	7.4
179.89243	24.6
180.90033	29.6
181.90782	12.0
196.89507	36.2
205.90765	8.9
206.91585	3.2
221.90327	4.5
234.91060	3.2
235.91878	11.0
236.92619	22.9
252.92239	3.7
253.92818	5.9
255.23244	8.0
278.93561	2.6
279.23312	8.3
280.62253	2.5
310.96191	3.6
339.12347	2.6
409.16928	3.3
409.66010	2.7
423.88364	2.7
473.13766	6.8
483.27142	5.0
490.14459	5.4
507.27710	6.6
533.16449	4.6
545.16138	11.0
563.17157	4.0
581.18237	93.4
581.29761	26.1
582.17810	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
61.98814	0.9
62.96412	0.9
66.17071	1.0
69.12470	4.7
71.01374	2.4
78.95900	100.0
79.95781	1.8
80.96513	12.7
94.98096	2.2
96.96007	25.7
96.96934	5.4
98.95576	2.8
99.92579	14.8
100.93362	20.5
109.86641	1.1
115.92075	32.8
116.92121	1.2
116.92854	33.1
120.96983	1.1
134.98480	1.4
138.97987	1.0
139.98579	0.8
142.94400	1.9
146.89215	0.9
148.91035	1.1
148.99150	1.5
150.98003	4.6
152.99596	28.7
155.95222	1.4
162.88910	1.3
163.89687	6.3
164.90477	9.8
164.98669	1.9
171.00658	9.7
172.95438	5.8
177.91237	1.0
178.88448	12.2
178.92082	1.3
179.89212	31.0
180.89993	30.6
181.90790	14.0
190.92107	1.1
194.87933	1.3
194.89928	1.2
196.89487	35.9
197.89523	1.2
203.75876	1.2
205.90733	12.5
206.91508	6.9
218.91524	1.5
219.92374	1.7
220.93121	1.6
221.90211	3.2
225.00710	3.5
234.90965	2.3
235.91855	10.1
236.92589	29.6
237.93253	2.2
252.92133	1.4
253.92833	5.9
255.23354	1.6
278.65405	1.1
278.93652	2.9
290.93628	1.7
292.95074	1.8
308.94525	1.6
310.96246	5.2
407.21741	1.3
409.16873	3.9
473.14151	6.1
483.27231	1.3
489.13565	1.3
490.14288	8.5
515.15015	1.8
533.16321	8.3
545.16187	11.1
563.17126	7.6
576.17523	1.0
581.18225	90.8
581.29761	17.9
582.18799	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03449	14.3
57.99770	0.6
59.01377	11.1
61.98822	1.2
69.71077	1.1
69.71463	0.9
71.01383	3.8
72.99297	1.2
74.70065	0.5
75.00874	2.0
83.01366	1.6
84.02181	1.2
85.02950	100.0
86.03291	1.1
87.00881	1.5
89.02454	2.9
93.03456	2.4
96.96014	2.5
99.00887	0.6
99.04526	0.6
101.02465	1.1
103.00365	1.3
103.39378	0.6
111.00883	3.2
111.04482	0.6
115.00387	0.8
125.02444	2.1
129.01942	11.0
133.02931	2.4
133.40590	0.6
134.03754	3.3
135.04471	1.1
137.02496	0.7
147.03000	14.9
149.04559	1.6
149.99562	0.9
167.03555	0.9
168.00594	1.1
173.00963	3.4
173.04565	5.0
177.01903	0.9
178.02736	1.3
191.01971	50.1
191.05547	4.7
193.05019	0.6
209.03026	1.6
211.13379	1.4
251.16527	3.5
293.08813	6.9
327.16144	0.9
329.06381	4.8
345.17126	2.0
371.15015	1.2
378.56699	0.6
389.15906	1.1
563.20868	2.7
570.52789	0.7
581.19568	3.9
581.24011	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03448	11.4
59.01384	58.4
61.98837	20.8
64.17999	1.6
65.53712	1.5
66.63643	1.4
71.01383	29.3
72.99305	2.0
73.02933	2.0
75.00871	3.2
78.96141	1.4
83.01390	1.9
84.87363	1.4
85.02953	100.0
86.03298	1.9
87.00884	4.0
89.02448	40.3
98.02768	1.5
98.21873	3.7
101.02442	11.8
103.00386	1.7
111.00806	2.4
113.02461	13.8
119.03515	18.0
127.32362	1.5
129.01936	11.1
132.87196	1.4
134.06134	1.9
140.43478	1.4
143.03517	5.7
147.02986	14.1
161.04526	4.0
165.02008	1.8
170.31146	1.7
173.00897	3.6
179.05624	15.6
187.04012	5.8
191.01991	53.7
191.05569	5.0
209.03052	23.2
224.04344	1.6
283.10022	10.2
283.12930	2.6
295.09796	2.0
311.09286	25.6
325.10754	2.2
326.11673	20.2
341.13968	25.6
345.17056	6.9
371.15192	3.8
441.39554	1.7
517.26123	2.1
545.33264	5.8
581.18488	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87664	0.6
55.01869	0.6
56.89792	0.5
57.03441	2.5
59.01382	100.0
61.98826	1.8
64.99275	0.7
69.12718	3.3
71.01392	4.2
73.02938	0.9
75.00869	0.7
75.65556	0.6
78.91330	0.5
78.91888	1.1
83.01397	0.7
85.02955	15.8
87.00881	1.0
89.02439	1.5
93.03489	2.2
101.02438	2.8
109.02945	2.9
111.00922	1.5
111.02035	2.4
113.02448	1.6
119.05093	1.1
121.02959	13.6
122.03764	2.6
126.60854	0.5
128.77687	0.6
129.02002	1.8
134.06146	2.2
136.07747	0.7
137.02505	0.6
140.33435	0.6
146.06194	0.9
147.03041	1.9
147.04546	2.2
149.07310	0.6
153.06693	0.6
157.13544	2.0
161.04633	2.5
163.04073	0.7
165.05566	14.1
173.04584	1.6
179.05791	0.7
179.07237	2.4
180.06718	2.4
181.07071	0.9
187.04114	0.6
191.01987	8.5
191.04033	1.1
191.05606	8.0
191.07065	0.8
209.03076	3.5
226.61511	0.7
266.12057	0.9
267.12204	1.1
283.13525	0.6
327.66455	0.8
328.13889	1.5
344.12671	9.8
344.16595	1.0
345.17276	1.8
359.14999	62.5
360.15533	2.0
371.15201	2.4
375.18393	1.4
376.18750	2.2
451.90372	0.7
536.34094	0.8
538.23871	4.4
563.21509	1.6
580.32208	9.7
581.23468	1.8
581.32434	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01377	100.0
60.01715	0.6
61.01773	0.6
61.93254	0.4
61.98821	4.4
69.36833	2.1
69.37204	0.8
71.01377	1.3
73.02973	0.7
85.02943	3.8
87.00883	0.6
89.02465	0.5
92.85160	0.4
98.44975	0.5
101.02455	0.5
116.60340	0.4
116.92878	2.9
121.02988	1.5
121.73505	0.6
128.90178	3.5
129.01974	1.3
129.05638	0.6
147.04538	0.6
149.02483	0.6
150.03238	1.9
151.00488	0.5
165.05515	2.3
175.04111	0.9
191.02043	2.0
195.06703	1.7
205.08621	0.7
208.07452	1.0
209.03070	1.1
223.06276	0.9
227.03624	1.9
228.03961	1.2
229.04012	1.1
255.02928	2.6
255.10223	0.6
256.03366	2.6
257.03775	2.0
269.08182	6.6
270.12643	0.6
281.08298	1.5
283.09793	3.0
284.03244	3.2
285.03668	3.9
286.03903	3.6
287.04620	1.3
295.09753	0.6
298.11954	0.8
299.09280	4.7
310.08551	0.6
311.09222	6.8
312.09946	0.7
314.11600	12.2
314.14987	0.9
315.12509	0.6
325.11298	0.5
326.11493	8.0
326.15128	0.5
327.12180	1.3
328.12906	0.8
329.13937	44.6
330.14355	1.7
339.12558	0.6
340.12814	1.1
341.13904	25.7
342.14413	0.7
345.22708	0.7
359.15140	0.9
389.16092	3.8
473.18552	0.7
533.21021	0.6
581.14050	11.2
581.22711	0.6
581.31476	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	46.8
61.98818	14.2
70.64612	22.8
80.49124	14.8
84.76840	12.3
85.02946	38.0
101.03080	14.2
124.52003	14.1
126.23369	13.1
187.45207	12.7
191.01984	16.3
239.27614	13.6
247.23102	13.2
253.09229	36.7
291.19485	17.1
309.20761	85.4
459.04825	13.9
489.15845	16.1
581.27203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87055	23.7
59.01377	48.8
61.31380	22.7
61.98831	33.7
66.94814	21.8
79.14429	25.2
82.68673	26.0
85.02952	43.4
89.02425	26.3
98.22594	60.3
152.42073	23.3
155.03644	24.6
188.64648	32.9
197.11780	35.0
253.09311	57.7
269.95718	23.3
291.19675	26.2
309.20633	98.8
445.81030	25.9
581.27448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11727	2.2
57.03433	3.5
59.01380	93.5
61.98548	1.8
61.98836	22.8
69.53252	3.4
69.53627	4.0
71.01014	3.6
71.01382	56.9
72.99308	1.9
73.02948	24.8
75.00899	2.3
80.73792	1.6
83.01366	3.9
83.30165	1.6
85.02940	23.6
89.02444	100.0
96.96001	7.9
97.02955	1.8
98.21926	4.0
99.00883	33.0
101.02445	42.3
113.02447	7.6
119.03466	4.1
121.02934	3.2
125.02441	6.7
129.01921	2.9
131.03494	11.7
143.03473	3.3
147.02962	3.2
149.02426	5.6
149.04555	73.3
150.03149	4.0
161.04494	4.4
162.62524	2.0
164.87997	1.8
165.05510	5.6
191.01920	6.5
191.05583	15.9
195.06595	3.7
201.11385	1.9
209.03004	3.9
221.06653	11.2
223.06236	2.4
251.07724	11.8
276.75021	2.0
293.08777	4.0
311.09814	7.9
329.13904	4.3
345.22931	2.5
359.14886	13.5
473.17960	4.7
491.19202	2.9
521.26178	59.6
522.26416	3.8
581.22095	7.3
581.31775	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2998
Annotation	Malyngamide R
Peak:m/z	Relative Intensity
59.01383	1.9
63.96241	0.6
69.39238	1.6
71.01376	5.0
73.02945	1.4
78.98591	4.2
79.95735	7.7
80.96513	46.1
81.03456	0.8
85.02926	2.3
87.00868	1.9
94.98085	11.1
96.96004	0.7
97.02933	1.2
101.02431	1.9
103.01488	0.6
106.98081	2.5
113.02506	0.4
113.34584	0.4
122.97589	2.8
125.02466	2.1
127.03976	0.7
134.97601	2.8
136.99129	0.8
146.97499	0.5
148.99129	4.2
152.98615	3.7
153.14995	0.3
164.98624	8.3
167.00177	0.4
206.99619	1.7
225.00722	11.3
225.02913	0.8
226.00896	0.3
233.87772	0.4
265.79538	0.3
281.24774	1.8
299.01233	0.5
299.04324	2.8
307.87540	0.4
308.49298	0.4
309.63193	0.4
317.58627	0.4
369.30215	0.4
581.29932	100.0
582.30334	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55477	0.4
61.98828	100.0
78.95915	1.9
79.22411	0.4
80.96508	0.9
82.96117	1.6
83.03554	0.4
85.02967	0.5
107.66350	0.5
108.65487	0.4
109.98903	0.4
115.21786	0.4
145.09283	0.4
152.99617	0.5
154.04237	0.4
170.47958	0.4
188.13457	0.5
204.74242	0.4
239.16304	0.5
279.23404	1.4
280.23660	1.0
504.31189	1.6
506.31638	0.8
507.32169	1.1
581.26923	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63173	1.0
57.03433	2.3
59.01380	17.4
61.98830	2.6
62.48170	1.0
69.03454	1.2
69.57376	1.8
69.57761	1.9
71.01387	2.2
73.02941	2.4
73.73853	0.9
73.76623	1.1
80.33269	1.2
82.95435	1.1
84.95079	1.4
85.02956	16.5
86.03297	2.6
87.00890	1.7
100.93319	1.1
101.02472	2.1
104.15026	1.0
107.79968	1.0
113.02437	1.6
115.92073	1.5
116.92869	8.4
129.01927	2.2
147.02988	2.2
150.03224	1.6
161.02509	1.5
165.05554	2.2
191.01997	6.4
192.02333	2.4
193.02414	3.0
194.89203	1.0
221.06166	2.6
233.06233	1.4
234.06808	1.8
235.04051	1.8
248.04749	6.7
249.05513	5.2
251.03445	2.3
263.03455	3.6
275.03525	2.8
276.04398	2.8
277.05069	9.7
278.05774	3.0
279.02972	1.8
291.03159	2.5
291.06668	3.1
292.03741	6.4
292.07355	3.7
293.04556	3.0
299.20029	1.3
304.03683	1.3
305.04520	5.1
306.05328	4.0
307.06146	1.9
313.10275	1.1
319.06027	1.5
320.03168	3.5
320.06836	2.2
321.04016	3.8
321.07718	2.6
334.04752	1.5
335.05658	15.1
336.06281	3.5
349.03531	5.5
350.07864	12.1
351.08844	5.9
363.05026	3.4
364.05823	2.2
379.08234	100.0
380.08478	2.6
418.28506	1.1
525.64948	1.3
548.64984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
59.01377	40.8
59.42825	1.5
60.12899	1.6
60.43237	1.3
61.98820	5.4
70.60287	3.0
71.01382	5.3
72.99306	2.0
73.02942	4.4
77.22218	1.4
83.01375	1.7
85.02956	16.8
86.03288	2.7
89.02465	3.1
93.03489	2.4
96.96006	5.8
99.92542	1.7
101.02454	3.0
111.00896	2.6
113.02441	4.1
115.92074	4.2
116.92862	21.3
131.03506	3.6
135.04491	2.5
147.03014	2.9
149.04617	1.8
150.03218	3.3
161.04601	2.9
165.05568	4.3
173.04472	1.8
173.76898	1.6
191.01970	4.8
191.05612	2.3
195.06671	2.9
211.13243	1.9
248.04797	2.9
249.05544	4.8
262.06128	1.7
277.05038	55.1
278.05325	2.0
291.06512	2.0
305.04547	73.7
306.04889	2.8
307.98175	1.3
319.05963	1.8
320.06891	44.4
321.07141	2.9
335.05444	7.7
335.09216	33.7
352.05780	6.7
367.18250	1.7
379.08206	100.0
380.08401	3.1
387.13843	2.4
497.20584	5.2
535.20221	2.3
583.14294	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15033	0.4
57.03456	0.7
59.01379	7.4
61.98830	16.0
69.87715	0.4
71.01388	2.3
71.07584	0.4
73.02956	1.4
75.00887	0.7
83.01366	0.6
85.02959	3.4
86.03295	0.8
86.41978	0.4
87.00876	0.7
89.02457	1.2
96.96017	2.1
101.02461	1.8
101.03957	0.6
113.02453	1.0
119.05054	0.7
129.03441	0.6
129.10342	1.5
134.06110	0.8
135.04532	0.4
136.07559	0.4
136.70142	0.5
143.03532	0.5
145.02965	6.8
147.04543	3.4
155.08272	1.0
157.13460	0.8
158.03796	1.1
159.04521	1.9
161.04539	0.5
171.04517	1.3
173.02443	32.4
174.03226	100.0
175.04007	24.9
176.04333	0.7
180.06685	2.5
185.06020	0.7
186.03192	0.9
187.03989	7.6
187.05511	0.7
191.01981	1.2
195.04533	0.5
199.03934	0.5
201.05440	0.6
209.02974	0.7
209.08141	0.6
211.03954	0.4
213.05557	0.5
217.04951	0.6
223.03937	0.4
229.05113	1.4
239.28073	0.4
249.16090	1.1
293.15002	0.8
319.08337	0.6
337.09247	1.7
360.22733	0.7
361.09241	0.9
379.10339	52.7
380.10776	2.4
421.11459	0.8
474.31998	0.5
541.15894	0.5
545.33417	9.5
546.33868	1.9
547.26837	0.6
547.34106	1.8
583.16620	17.9
584.17004	1.4
600.60004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25048	0.8
55.92795	1.0
59.01383	7.1
61.98829	0.9
63.06455	0.7
63.59637	0.9
63.96076	0.8
69.03429	1.1
69.35242	1.7
69.35603	4.6
71.01380	22.9
73.02930	4.0
81.03413	1.0
82.95415	2.3
83.01380	1.9
85.02937	2.9
88.04035	31.7
89.02431	3.5
96.96011	5.1
97.02956	1.2
99.00862	3.0
101.02431	7.9
113.02449	2.0
114.01975	1.2
115.00374	13.1
115.03977	1.3
125.02448	1.5
130.06618	15.1
131.03496	1.2
132.02071	1.7
132.03024	26.8
138.66136	1.0
143.03473	1.7
146.06111	2.4
156.04527	2.6
161.04507	1.6
173.07184	51.1
174.07568	1.0
185.41466	1.0
200.07130	1.1
211.36923	0.9
233.06554	1.8
245.09380	1.2
292.11856	2.6
335.12518	2.7
378.63614	1.1
396.62155	1.0
407.15045	1.2
424.15903	1.5
467.16641	12.1
468.15063	12.6
469.15063	1.3
565.16522	3.4
583.17792	100.0
584.18329	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	3.0
69.93129	4.6
71.01380	2.1
78.95901	98.4
79.95736	2.2
80.96513	10.3
82.96107	4.2
94.98093	2.9
96.92182	1.7
96.96004	17.1
96.96945	3.7
98.95580	3.0
99.92597	10.0
100.93382	14.0
115.83699	1.9
115.92081	28.7
116.92075	3.2
116.92854	30.6
130.08723	8.8
142.46304	2.1
148.90976	2.1
150.97995	5.2
152.99594	29.5
163.89728	7.6
164.90471	5.3
164.98639	2.3
167.01065	2.7
171.00510	2.2
172.95453	5.5
178.88431	10.4
179.89217	21.8
180.90013	23.8
181.90785	12.0
192.90077	2.1
196.87675	1.9
196.89470	36.6
205.90721	7.1
206.91568	4.5
221.90338	2.5
230.64496	1.9
234.17264	1.8
235.91760	8.3
236.92613	16.6
252.92102	2.7
253.92888	3.1
255.23260	9.0
279.23181	2.2
287.23834	4.9
331.22696	4.5
349.23889	2.6
411.18356	3.6
459.31070	3.7
475.15482	8.9
492.15802	7.0
529.68811	2.3
535.17627	7.5
547.10571	2.1
547.17725	10.6
582.30261	9.5
583.19720	100.0
583.29871	18.5
583.39996	7.3
584.19977	5.6
584.42749	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11847	1.9
60.80037	1.6
62.96414	1.8
68.93456	1.5
69.25101	8.6
78.95898	89.6
80.96519	4.6
82.96116	2.7
85.49459	1.9
94.98085	1.7
96.95994	13.3
96.96970	5.1
98.95612	3.1
99.92565	11.2
100.93365	17.5
103.76353	1.8
115.92066	28.1
116.92851	28.4
130.08781	3.9
134.98564	2.1
138.54518	1.8
150.97995	4.3
152.99591	28.6
163.89722	4.3
164.90535	8.6
171.00658	2.5
172.95486	6.7
178.88434	10.4
179.89203	23.1
180.89990	23.9
181.90822	10.8
196.89494	32.1
196.91205	2.9
197.67952	1.7
205.90718	8.7
206.91570	4.5
234.91150	2.4
235.91859	6.2
236.92534	13.4
252.92068	2.6
253.92931	4.0
255.23322	4.5
279.23373	4.5
313.24002	3.1
313.81970	1.7
327.30621	1.7
359.47137	2.1
409.23651	1.7
411.18362	4.4
435.12030	2.0
446.45013	1.6
447.25189	1.8
475.15317	7.5
492.15796	7.1
517.16650	1.8
535.17651	6.6
547.17889	6.0
565.39038	5.4
582.30438	3.3
582.42139	1.9
583.19897	100.0
583.29926	13.1
583.45819	3.2
584.20367	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
61.98831	1.9
67.95253	0.2
68.02049	0.2
71.01382	3.0
73.02962	1.2
73.03307	0.2
79.95730	5.7
85.02934	0.8
87.00869	0.4
89.02442	3.9
96.96011	100.0
99.00879	1.8
99.01416	0.3
101.02432	1.8
113.02460	0.8
119.03485	1.3
131.03473	0.2
149.04558	0.5
161.04507	0.5
167.03439	0.5
179.05612	0.9
179.07028	0.3
195.06633	0.4
206.92093	0.2
225.11302	0.6
252.19656	0.3
257.08145	1.4
258.08911	0.2
271.10056	1.4
273.11697	1.8
407.17133	0.3
420.14316	0.3
421.14780	0.4
421.68787	0.2
514.55762	0.3
583.20642	46.5
584.21155	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05550	0.3
59.01372	2.7
61.45298	0.3
61.98832	0.8
69.71503	0.6
69.71890	0.5
71.01379	2.3
73.02945	1.2
73.93563	0.3
79.95741	4.6
85.02956	0.8
89.02435	2.5
91.53318	0.3
96.96009	100.0
98.20476	0.3
98.21921	0.4
99.00880	2.1
101.02454	1.3
103.01735	0.3
106.04149	0.3
113.02459	0.7
121.02962	0.6
149.04575	0.5
153.05556	0.4
161.04512	0.5
165.01965	0.3
191.05585	0.6
195.06613	0.4
197.04515	1.5
269.10245	0.5
271.10117	1.3
273.11691	1.6
275.10611	0.3
415.16190	0.4
497.21973	0.3
547.20233	4.1
547.27533	0.4
548.20935	0.4
583.20630	38.7
584.21039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01377	4.5
61.98834	1.0
69.36543	2.9
71.01393	1.2
73.02953	0.9
82.95451	0.5
85.02943	5.4
85.28874	0.6
86.03333	0.5
89.02439	0.7
93.03439	4.2
95.05033	0.5
96.96042	0.8
101.02451	1.2
105.03498	0.7
113.02450	0.6
116.92863	1.0
121.02957	5.4
122.03743	14.2
123.04506	1.2
133.02971	1.5
134.03757	0.7
135.04538	1.2
136.01674	1.2
142.41356	0.6
147.03026	0.6
148.50317	0.6
149.02443	24.3
150.03223	93.0
151.03781	1.9
153.05533	0.7
160.01700	0.6
163.03996	0.8
164.04788	6.1
165.05562	100.0
165.45168	0.6
166.05956	1.0
175.03986	1.2
177.05582	1.6
178.09868	0.6
179.07132	0.7
180.04271	5.7
191.02008	1.6
195.06618	62.7
196.06908	0.6
197.66606	0.6
203.07057	0.8
224.06833	0.9
268.07391	2.6
280.07437	0.6
283.09753	1.7
295.09680	0.9
296.06934	0.9
297.07397	0.6
297.11304	0.9
307.06183	0.7
307.09592	1.3
308.06940	1.1
308.10370	1.1
309.07639	2.0
309.11044	0.7
310.08011	0.7
311.09525	0.6
312.06375	1.6
322.08337	1.0
322.59119	0.6
323.09149	2.3
324.06393	1.3
324.10141	1.6
325.10739	2.4
326.07916	0.8
326.11496	4.7
327.08731	5.7
327.12259	1.1
337.10529	0.9
339.08643	8.3
339.12399	1.6
341.13885	1.4
342.10956	5.1
354.11078	3.2
357.13397	22.5
358.13416	0.7
369.13434	26.7
419.16388	0.8
431.27521	0.7
461.16010	1.3
472.14923	0.8
487.17419	1.7
505.18661	6.1
517.18518	1.5
535.19708	43.7
536.20020	1.9
553.20447	1.1
583.20996	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2533
Annotation	Ananolignan M
Peak:m/z	Relative Intensity
57.03418	2.7
58.74684	2.4
59.01379	76.4
61.98829	15.7
62.37393	2.6
69.17036	12.6
71.01055	2.8
71.01385	27.0
73.02943	10.4
80.91666	3.4
82.95404	4.2
85.02966	12.2
89.02448	37.0
96.96031	2.8
99.00867	9.9
101.02446	21.1
102.44987	2.6
113.02464	8.8
119.03465	3.7
125.02404	2.8
129.01894	2.6
131.03487	7.8
141.01706	5.2
149.04565	46.9
161.04533	6.1
165.05663	3.4
179.05533	3.1
191.05595	9.1
203.35680	3.8
221.06670	3.9
251.07680	9.4
275.61655	2.7
293.08734	3.6
311.09988	3.3
360.15247	4.2
361.15549	3.8
375.18170	5.2
451.21353	2.6
537.23389	7.7
544.13727	3.0
547.27625	36.5
548.28082	3.8
583.25281	100.0
584.25049	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2527
Annotation	Ananolignan M
Peak:m/z	Relative Intensity
51.00063	2.3
51.08751	2.5
57.02292	2.8
57.32378	2.9
59.01380	54.9
61.98822	5.9
71.01378	24.9
71.44196	2.9
73.02945	13.1
82.95396	2.7
85.02977	15.2
87.00892	5.8
89.02448	34.0
93.03433	3.9
96.16723	3.1
96.96027	5.2
99.00885	12.9
101.02424	23.5
113.02446	8.7
116.92914	3.0
119.03566	3.2
121.02978	6.2
122.03741	6.5
126.90394	11.3
131.03461	8.6
135.04538	4.8
137.02480	3.5
141.01724	4.3
149.02498	7.6
149.04538	42.8
150.03223	25.7
151.03972	5.0
157.70644	2.6
161.04512	3.1
164.27307	2.6
165.01888	4.7
165.05563	22.3
175.04030	3.0
189.05618	3.5
191.05612	11.9
195.06694	16.8
221.06615	4.8
251.07840	9.2
293.08893	3.6
311.09955	4.8
345.13242	3.4
357.13486	3.0
367.11987	6.0
387.14444	5.9
535.19653	15.0
547.27710	41.1
583.25421	100.0
584.25873	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2596
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
55.01877	5.7
57.03445	4.8
58.00597	0.8
59.01377	64.2
61.98829	0.6
66.98598	0.4
69.03462	2.5
69.14967	2.3
71.01379	86.2
72.01721	0.4
72.99296	1.4
73.02943	27.9
75.00871	1.9
79.01923	0.4
81.03453	0.6
83.01379	13.8
85.02945	36.2
86.00097	0.5
86.03274	0.6
87.00872	5.9
89.02441	26.7
95.01380	6.8
96.96020	2.6
97.02938	5.8
98.21864	0.7
99.00881	9.8
101.02438	56.4
103.00372	0.5
104.95702	0.5
109.02943	0.4
111.00865	1.1
113.02444	33.9
115.03989	0.4
119.03493	6.7
125.02444	13.1
126.08470	0.4
127.11316	1.0
129.01962	2.3
131.03491	5.5
143.03500	4.0
149.04552	3.4
151.04054	0.4
153.84875	0.4
159.02979	5.4
161.04556	27.4
167.03519	0.4
169.12309	0.5
173.04561	0.5
179.05609	2.7
191.05624	0.7
221.06668	5.0
233.06622	0.6
262.09116	0.4
275.07614	0.6
289.16550	56.5
290.16949	1.3
293.08719	1.7
347.16238	0.5
410.90787	0.4
411.13120	0.5
421.20764	60.3
422.20886	1.9
433.20700	0.7
451.21811	59.0
452.22150	2.2
453.14294	1.1
539.13544	0.5
570.85071	0.4
583.26031	100.0
584.26508	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51901	1.8
66.13577	1.6
70.01850	3.0
70.02158	2.5
71.01379	2.1
79.95753	2.8
80.96519	16.4
94.98090	1.8
151.11293	2.4
163.11340	2.5
164.98654	4.3
165.12854	14.3
181.12354	2.2
182.99568	1.9
207.13824	1.7
222.46695	2.1
225.00668	5.4
247.20630	10.4
273.18619	5.3
291.19659	97.8
292.20154	2.3
305.17465	2.9
308.20059	1.8
309.20706	100.0
310.21017	3.2
318.20712	1.8
340.15356	2.3
397.31085	1.8
404.68616	1.8
529.18188	2.2
565.39087	13.0
583.31622	38.6
583.40210	7.2
584.32043	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74208	10.7
59.01371	19.5
61.98829	11.8
65.07883	11.0
69.09768	69.5
69.72828	10.5
71.01332	9.6
98.21878	21.0
106.12362	10.2
127.34093	9.4
166.22362	10.0
249.52737	10.7
310.78290	10.7
335.05652	12.4
350.07755	10.3
379.08209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
61.98809	1.1
69.47300	2.4
71.01384	1.0
73.02952	0.8
85.02950	1.3
97.03072	0.5
101.02451	0.9
116.92879	0.8
118.79676	0.6
247.03978	1.2
247.75432	0.6
248.08316	1.1
249.09200	1.5
258.03177	1.2
260.04849	1.3
261.05597	1.8
262.06232	1.3
273.05542	3.0
275.03473	4.3
276.04337	2.6
276.07852	0.8
277.05045	4.1
277.08307	1.0
289.05063	9.3
290.05826	8.7
291.06674	3.8
292.07095	1.3
302.05948	0.6
304.03778	8.4
304.07391	4.4
305.04547	9.9
305.08173	2.5
306.08606	1.0
308.06842	0.7
319.06110	19.9
320.06870	6.4
333.04175	1.0
334.08365	2.9
335.09253	2.2
338.08017	0.7
364.05878	3.2
366.07443	3.0
379.08206	100.0
380.08487	4.7
381.09634	1.0
608.43530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01375	1.1
61.98828	100.0
67.85310	0.2
71.01382	0.6
71.43246	0.2
73.02940	0.3
77.39605	0.2
77.91726	0.2
82.95442	0.3
85.02937	0.6
96.96043	0.4
101.02475	0.4
135.04478	0.3
150.03255	0.3
163.00862	0.2
165.05562	0.3
165.09325	0.2
209.08182	0.6
210.08687	0.4
249.87991	0.2
329.13992	0.4
359.15094	0.2
504.18265	0.3
524.22308	0.3
584.14160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73304	0.3
57.03441	0.3
59.01384	1.9
61.98832	100.0
65.14603	0.3
69.53214	1.2
70.64478	0.3
71.01376	0.5
82.95408	0.4
85.02962	0.9
89.02431	0.3
96.96021	0.4
101.02503	0.5
129.01930	0.5
135.04543	0.4
138.52580	0.3
150.03252	0.4
165.05615	0.5
165.09265	0.6
191.02071	0.3
191.05647	0.3
209.08270	1.1
210.08617	1.2
223.06041	0.5
238.57973	0.3
344.48007	0.4
425.34323	0.3
503.35333	0.3
504.18143	0.6
584.13770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42012	6.2
54.12776	6.9
59.01377	97.2
61.98827	16.4
71.01379	18.9
72.99294	54.5
73.02960	7.3
84.65088	6.1
85.02952	10.4
88.43163	7.0
96.95995	17.3
97.00151	6.5
101.02468	13.6
101.86127	6.5
107.05033	18.9
113.02448	8.3
114.19850	6.6
116.92870	31.7
120.69850	7.5
123.04537	58.3
133.02966	58.5
147.29858	6.1
151.03999	100.0
159.28096	6.5
175.04012	8.6
181.00339	6.6
183.11853	6.9
238.42789	7.4
255.40504	6.6
295.39395	7.0
299.65106	6.7
374.06189	9.2
381.80484	7.2
407.17337	9.4
541.20703	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98827	0.4
62.51427	0.3
69.48177	0.9
71.01376	1.0
73.02931	0.5
77.00961	0.2
82.32618	0.2
82.95415	0.7
85.02946	1.0
96.95994	0.6
97.02957	0.4
98.21808	0.4
99.92603	0.3
100.93337	0.3
101.02453	0.8
113.02455	0.3
115.92135	0.5
116.92862	0.8
141.34201	0.2
147.06613	1.5
179.77567	0.3
191.05589	0.5
221.06097	0.3
230.07304	0.4
233.06107	0.8
236.04799	0.7
247.07634	1.5
248.08119	0.3
249.05539	2.8
250.06329	2.2
251.07068	1.2
261.05524	1.1
262.06287	0.9
263.03467	1.3
263.07065	0.8
264.04242	2.6
275.07077	0.6
276.04550	0.4
276.07962	0.9
277.05029	2.4
277.08371	0.5
278.05774	4.6
279.06509	3.0
280.03952	0.3
289.05048	0.8
290.05823	1.0
291.02969	2.1
291.06635	1.1
291.09842	0.3
292.03766	11.1
292.07404	6.1
293.04901	0.5
293.08191	13.6
294.08945	5.6
304.07571	0.3
305.04663	0.6
305.08139	0.8
306.05319	3.9
306.08752	0.6
307.02594	0.6
307.06088	10.0
307.09750	9.7
308.03329	1.9
308.06436	0.5
308.10107	0.7
309.11343	1.4
318.01511	0.5
320.03128	0.5
321.04245	0.3
321.07620	4.7
322.08435	1.8
333.03986	0.6
335.02139	0.3
336.02682	4.0
336.06406	0.4
337.10760	2.4
351.05066	10.8
352.05402	0.5
354.06998	0.4
363.04877	0.3
365.06662	0.9
366.07422	21.9
367.07733	0.8
379.08203	0.7
380.08704	1.0
381.09760	100.0
382.10129	4.2
423.10748	0.4
525.14001	2.7
560.19897	0.3
585.16272	2.0
585.25635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36699	0.2
59.01383	2.9
64.31240	0.2
70.27744	0.5
71.01388	0.5
72.99335	0.4
73.02930	0.3
82.95432	0.4
83.01391	0.2
83.93102	0.2
84.00246	0.2
84.93882	1.3
84.95132	0.3
96.96029	2.0
98.95562	1.1
99.00875	0.6
99.92587	13.0
100.93363	13.8
101.02464	0.3
103.00373	0.5
111.00932	0.3
114.93423	0.4
115.92080	17.8
116.92862	100.0
117.92878	2.3
117.93645	0.4
126.94941	0.3
128.92819	0.4
133.02928	0.3
140.92888	0.5
141.93628	0.8
142.94452	1.7
143.95436	0.2
154.94473	0.3
156.92317	0.6
158.93925	0.6
167.95270	0.2
169.93134	0.3
170.93881	0.4
173.92633	0.4
184.91833	1.7
184.95660	0.3
196.95537	0.4
224.95007	0.3
242.96036	0.7
259.96320	0.4
296.06842	0.2
301.97568	0.3
345.96118	0.4
408.45779	0.3
411.14362	0.3
445.13245	0.8
463.14328	3.7
465.16089	0.6
481.15298	1.1
499.16483	3.3
505.15161	1.2
523.16406	0.9
541.17542	6.1
541.25726	0.3
549.13733	0.3
585.16394	16.7
586.16498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.8
61.98829	6.2
66.95905	2.5
70.10203	1.6
71.01373	6.9
73.02950	4.3
82.95413	100.0
83.01421	1.7
85.02947	3.5
89.02444	3.6
93.03465	3.0
98.21994	2.1
101.02431	4.7
109.02946	4.1
113.02443	3.6
119.03485	1.7
121.02979	7.8
122.03728	10.6
132.02199	1.4
133.02948	3.8
134.03699	1.8
135.04489	4.4
137.02391	2.0
147.04512	1.9
149.02444	21.4
149.06033	1.8
150.03224	73.4
151.03656	1.7
163.03996	3.9
164.04774	3.5
165.05574	67.8
166.05891	1.5
175.04007	4.8
176.04688	1.9
177.05510	2.3
179.03429	2.1
180.04315	6.1
190.06342	6.0
191.05649	1.6
191.07159	5.8
193.04976	1.4
194.05847	2.8
195.04802	2.0
195.06619	41.1
204.09900	1.2
205.08742	4.3
207.06546	3.1
208.07384	7.5
214.64764	1.5
222.08920	3.6
240.55325	1.4
257.84210	1.2
345.13306	2.8
359.10745	2.5
359.14987	34.8
367.44406	1.5
507.19635	2.4
537.21222	45.1
538.21600	3.5
585.24121	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50376	2.5
57.03445	2.9
59.01377	83.9
61.98824	13.8
69.71613	2.8
69.71960	8.3
71.01372	27.0
73.02952	22.8
76.73458	2.5
82.95411	100.0
83.01389	5.5
85.02943	16.0
86.42193	2.1
87.00888	2.7
89.02447	15.8
96.96032	5.9
97.62420	2.1
98.22619	4.3
99.00880	3.9
101.02428	22.5
109.02940	3.6
111.00877	2.5
113.01794	2.1
113.02452	15.8
116.92842	3.5
119.03481	3.9
119.05092	2.4
126.90395	19.7
131.03525	3.7
133.02927	8.6
135.04529	5.7
136.01624	3.5
142.84669	2.2
149.04539	3.6
161.02455	31.2
161.04521	7.4
165.05521	3.2
179.03470	3.8
179.05592	6.9
180.04129	2.6
191.05618	3.6
195.06548	6.5
225.07437	3.3
244.72420	2.4
328.58578	2.4
402.24429	2.7
481.27997	9.2
537.20081	3.8
547.21027	16.8
549.22668	7.1
567.61554	2.7
585.26892	14.6
597.95569	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57363	1.9
59.01381	100.0
61.98833	14.5
66.95930	2.9
69.23483	12.5
70.81017	1.9
71.01389	39.1
72.99304	2.2
73.02946	31.9
79.64282	2.2
82.95417	67.4
83.01387	7.5
85.02958	14.7
88.98845	2.8
89.02454	25.3
95.01363	3.5
96.96021	5.1
97.02917	3.0
98.22604	4.4
99.00919	2.8
99.92603	2.4
101.02450	26.4
113.02459	26.8
115.92098	2.6
116.92934	2.8
119.03517	9.7
126.90362	11.2
130.08705	2.5
133.02963	6.6
135.04553	4.5
143.03534	3.0
149.04573	5.9
151.03918	2.3
161.02466	24.8
161.04500	12.3
162.92393	1.8
165.05583	4.9
179.03510	2.7
179.05652	12.3
180.04283	2.5
191.05569	5.5
191.42969	2.3
195.06636	5.1
225.07732	2.2
320.65707	2.2
337.06985	2.7
481.27820	13.9
486.83112	2.5
499.29282	3.5
523.05353	2.5
541.29889	2.6
547.21033	12.2
547.28876	3.7
549.23193	6.8
585.26868	10.4
586.26007	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57363	1.9
59.01381	100.0
61.98833	14.5
66.95930	2.9
69.23483	12.5
70.81017	1.9
71.01389	39.1
72.99304	2.2
73.02946	31.9
79.64282	2.2
82.95417	67.4
83.01387	7.5
85.02958	14.7
88.98845	2.8
89.02454	25.3
95.01363	3.5
96.96021	5.1
97.02917	3.0
98.22604	4.4
99.00919	2.8
99.92603	2.4
101.02450	26.4
113.02459	26.8
115.92098	2.6
116.92934	2.8
119.03517	9.7
126.90362	11.2
130.08705	2.5
133.02963	6.6
135.04553	4.5
143.03534	3.0
149.04573	5.9
151.03918	2.3
161.02466	24.8
161.04500	12.3
162.92393	1.8
165.05583	4.9
179.03510	2.7
179.05652	12.3
180.04283	2.5
191.05569	5.5
191.42969	2.3
195.06636	5.1
225.07732	2.2
320.65707	2.2
337.06985	2.7
481.27820	13.9
486.83112	2.5
499.29282	3.5
523.05353	2.5
541.29889	2.6
547.21033	12.2
547.28876	3.7
549.23193	6.8
585.26868	10.4
586.26007	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46148	1.6
57.02003	1.5
57.03432	1.9
59.01376	3.0
61.30332	1.2
62.99487	1.3
69.35386	5.4
82.96120	1.4
94.11059	1.3
95.05048	1.9
96.68890	1.3
97.02948	2.0
98.74559	1.5
123.04535	1.9
123.08128	2.1
125.09724	4.9
135.08162	2.2
137.09651	3.0
141.05591	3.2
141.09221	1.6
141.12856	1.3
153.09186	8.2
163.11296	5.1
165.12808	2.1
167.95390	1.4
171.10269	9.2
185.11832	6.6
191.14401	8.5
207.10323	2.8
209.11833	4.9
225.11279	2.3
245.19098	18.5
261.03912	1.4
271.17065	2.0
275.20026	1.8
277.21713	38.7
289.18094	90.9
290.18414	4.3
307.19135	100.0
308.19482	3.4
325.20218	25.4
494.39511	1.5
549.39630	2.7
557.50775	1.5
567.40515	3.8
584.79584	1.6
585.31909	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01385	2.4
61.02124	1.7
70.39110	3.7
82.96112	2.0
84.08656	1.4
99.37891	1.6
115.75077	1.7
153.12837	2.9
159.70822	1.8
169.12253	2.1
179.14438	1.7
195.13858	2.9
197.11679	2.3
247.20558	4.6
271.09360	2.1
273.18555	2.5
291.19669	30.1
293.21213	40.4
309.20712	100.0
310.21045	3.0
381.07751	1.7
486.11667	1.8
567.40643	12.8
580.96960	1.8
581.31146	1.8
585.31598	6.5
585.41565	6.5
592.69067	2.1
609.86084	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30857	0.1
59.01374	0.5
61.72153	0.1
61.98828	100.0
62.98524	0.2
71.01386	0.2
72.58125	0.1
73.02946	0.1
82.95419	0.4
85.02962	0.2
93.03531	0.1
93.04210	0.1
101.61616	0.1
144.80713	0.1
165.05507	0.2
195.06587	0.2
221.57700	0.1
296.70114	0.2
422.49554	0.1
526.23053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83530	2.0
58.32468	2.0
59.01370	11.4
61.98832	6.7
71.01376	7.3
73.02966	2.0
74.64508	2.2
78.95924	2.2
83.01418	3.9
83.80928	1.9
85.03006	2.7
89.02456	4.9
97.06614	4.1
98.83749	1.9
101.02461	7.8
113.02473	3.5
123.83927	1.9
125.09716	5.0
137.09758	2.1
153.09520	2.3
161.04561	3.7
163.11250	3.8
173.25760	2.1
177.07974	2.0
179.07135	2.4
185.11812	5.9
191.14429	8.4
207.10225	2.8
209.11838	16.1
225.11256	2.6
237.11298	4.7
245.19139	12.9
253.09288	41.3
263.20087	5.2
276.96762	2.1
289.18103	100.0
290.18466	3.8
300.44296	2.5
307.19144	98.0
364.05701	2.9
445.20798	2.9
543.13330	4.1
543.28644	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
56.23959	0.5
56.29185	0.3
57.03428	1.0
59.01376	29.9
69.68217	0.7
69.68591	1.1
71.01377	18.8
71.05021	0.6
73.01766	0.4
73.02943	4.4
83.01377	2.1
85.02941	6.9
87.00854	1.2
88.43170	0.4
89.02442	11.1
95.01369	1.3
97.02967	0.4
97.06564	0.5
98.21907	0.5
99.00871	1.5
101.02433	13.4
113.02447	7.5
114.09281	0.4
115.07650	1.1
119.03503	3.2
129.01881	0.5
156.10249	2.1
158.11856	7.1
159.02988	0.9
161.04558	1.0
164.23973	0.3
165.12955	0.5
167.14407	7.3
203.64403	0.3
211.13359	8.5
223.16988	1.3
229.14413	5.1
237.18573	1.2
241.18073	0.7
253.09187	0.7
265.18109	4.5
265.21512	2.6
267.19522	0.7
272.18671	1.3
283.22678	0.4
290.21289	0.5
291.19656	2.9
308.22189	2.5
309.20618	2.1
320.17007	1.3
334.77667	0.4
353.40057	0.4
385.77640	0.4
406.29684	0.7
410.39807	0.5
432.25735	0.6
434.23965	1.6
488.28583	3.7
550.76678	0.4
568.35095	1.1
586.35913	100.0
587.36298	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07003	0.5
55.75312	0.5
58.39347	0.4
59.01371	5.1
69.24973	1.9
71.01380	1.7
72.99300	3.1
75.00869	100.0
85.02941	0.8
88.90362	0.5
88.98802	1.2
101.02449	0.7
153.77216	0.5
175.25883	0.5
176.71272	0.6
178.55518	0.6
183.43097	0.5
187.82068	0.5
223.10599	0.5
275.03604	0.6
277.08661	0.5
285.07898	0.6
289.05054	1.9
290.05838	2.6
291.06494	0.8
304.03726	1.6
305.04709	1.1
319.06158	4.3
334.08386	1.1
353.08704	0.5
364.05688	0.9
366.07089	0.6
367.08398	0.5
379.08160	22.5
379.12988	1.2
380.08640	0.7
448.41080	0.6
483.29950	0.8
501.30396	0.7
507.15112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67722	9.7
59.01374	100.0
69.82413	29.6
72.81654	9.6
73.02971	9.3
84.95110	16.3
85.02924	11.0
90.28871	9.1
113.02493	10.3
171.10277	34.2
211.63089	11.7
236.97746	9.6
259.43817	10.1
263.07053	13.1
312.89130	11.2
350.08054	21.3
365.06470	20.6
365.10284	81.3
491.42361	11.5
511.72687	9.6
587.22736	14.6
587.31592	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03447	1.8
58.00599	0.6
59.01377	100.0
61.98827	12.4
69.03458	1.4
71.01379	24.5
71.43348	0.4
72.99314	1.5
73.02940	16.1
75.00904	0.8
81.03456	0.5
82.00077	0.6
83.01376	4.6
83.01773	0.5
85.02946	15.2
86.00108	0.6
87.00869	7.4
87.04527	2.2
87.24840	0.5
87.25522	0.5
89.02441	13.6
91.62538	0.5
94.84824	0.5
95.01377	2.6
97.02970	1.4
98.19304	0.6
99.00870	3.4
99.04528	0.7
101.02442	23.8
101.85284	0.5
103.04005	5.8
111.00919	0.9
112.01651	1.3
113.02447	11.5
115.04005	4.8
116.92917	0.6
119.03500	7.0
125.02464	2.4
127.04028	2.1
130.08743	1.3
131.03502	5.3
143.03493	8.9
144.03926	0.6
145.05069	2.9
159.03023	0.8
161.04552	3.8
163.06123	18.8
179.05643	0.7
201.18074	0.5
205.07178	12.3
243.06645	8.6
247.08223	7.3
259.08182	0.6
307.10330	0.6
333.20615	3.6
345.20767	1.0
363.05042	1.1
365.05914	1.9
381.22632	2.3
399.23868	16.4
441.24866	1.1
527.28699	6.2
543.26666	0.5
545.29651	51.0
546.29669	2.9
587.31055	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44845	2.2
59.01370	7.4
61.98816	5.0
71.01389	3.1
71.42992	2.6
89.02434	5.1
97.02918	3.6
101.02418	6.2
113.02436	4.1
162.83905	3.4
165.12866	3.2
176.52289	2.5
179.40205	2.3
197.11809	8.6
217.11679	2.9
225.14937	3.5
253.09274	37.3
291.19626	34.4
309.20688	100.0
545.30347	3.7
588.31458	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04190	0.3
60.55955	0.3
69.08949	1.9
119.10276	0.3
122.80412	0.3
195.40698	0.3
232.05347	0.5
233.06020	0.6
247.04028	1.7
248.04677	0.4
248.08438	1.7
249.09180	1.8
258.03186	1.0
260.04834	1.8
261.05515	2.6
262.06360	1.3
263.07028	0.8
273.05551	2.2
274.06326	0.6
275.03543	4.7
275.07016	0.8
276.04245	2.7
276.07782	1.0
277.05057	1.6
277.08679	1.3
288.04227	0.6
289.05066	9.4
290.05820	9.3
291.06610	3.8
291.57379	0.3
292.07297	1.4
293.08182	0.3
302.06046	0.3
304.00323	0.3
304.03751	9.3
304.07413	4.0
305.04501	4.8
305.08173	2.9
306.05273	0.3
306.08875	0.6
308.06937	0.4
319.06107	23.7
320.06680	3.3
334.08502	3.1
335.09265	0.9
364.05859	4.7
366.07440	3.0
379.08200	100.0
380.08560	4.2
423.27655	0.3
590.00818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13237	3.5
59.01387	7.0
61.98833	7.4
68.92522	3.5
69.45885	13.3
69.46253	7.1
95.71255	4.1
191.58513	4.6
275.03528	6.0
289.05045	6.4
290.05679	7.1
304.03845	10.5
305.04681	5.2
306.75403	3.7
319.06119	15.6
379.08224	100.0
459.01105	4.0
617.66559	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75640	0.7
57.03450	1.1
59.01379	13.6
61.98829	1.9
67.01891	6.0
69.03458	1.1
71.01373	8.2
71.43432	0.9
72.99307	1.7
73.02947	1.4
81.03465	1.6
83.01379	2.1
83.05044	1.3
85.02954	11.2
87.00887	2.2
88.98817	1.7
89.02458	3.2
93.03455	32.1
94.49557	0.7
95.05013	1.7
99.00880	1.3
99.04469	0.7
101.02456	3.8
105.03443	5.4
109.02953	2.9
111.00879	36.1
111.04503	5.1
112.01202	0.8
113.02451	2.3
114.02251	0.7
123.04517	1.1
127.04018	1.2
129.01923	2.5
132.02180	1.1
133.02959	35.4
134.03804	4.3
135.04518	12.2
137.02498	4.1
139.03941	0.7
147.53951	0.7
149.04518	1.0
150.03226	1.2
151.03944	0.8
154.99843	4.8
155.03539	5.0
160.01666	3.7
161.02429	2.5
161.04543	0.9
171.10204	1.7
173.00948	11.8
173.04546	100.0
174.04834	1.0
177.01930	22.4
178.02663	3.9
179.03479	6.2
179.07066	0.8
187.61688	0.7
191.05605	53.3
192.05956	0.9
207.02965	10.3
208.03705	2.0
215.03667	1.1
215.05548	3.3
216.03763	0.8
222.05333	10.2
223.06099	2.6
237.07639	8.8
259.37177	0.7
297.11755	1.2
307.08435	0.9
308.09021	0.9
345.13345	1.5
351.07178	7.9
352.07932	0.8
383.07681	3.4
397.09406	3.8
415.10446	3.6
529.02679	0.9
529.26508	2.7
545.26306	1.5
547.27173	1.3
557.13098	3.3
589.15686	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
58.90617	0.4
59.01386	4.2
60.99282	0.5
61.98828	17.1
71.01382	2.6
71.44337	0.6
73.02946	0.8
77.03948	2.9
81.03452	0.9
83.05022	1.8
85.02972	1.4
85.48775	0.5
88.98809	0.8
89.02449	1.2
89.03979	1.6
93.03468	5.5
95.05034	5.2
99.00874	0.6
101.02440	1.1
105.03460	17.9
107.17407	0.4
111.04511	4.8
121.02956	0.6
123.04517	2.0
129.01997	0.6
131.25122	0.4
132.02150	1.0
133.02956	100.0
134.03783	5.4
135.04555	3.3
137.02437	2.6
147.00938	0.7
149.02576	0.5
150.03252	0.6
151.04013	1.3
155.03496	4.6
160.01578	0.5
161.02493	0.9
161.04503	0.4
171.10214	3.4
173.04558	12.7
177.01927	84.7
178.02675	6.4
179.03508	4.7
191.05606	4.3
193.05154	0.6
207.02974	17.8
208.03639	1.0
222.05327	17.7
223.06023	1.6
237.07666	22.4
238.08031	0.9
339.08713	0.5
351.07303	2.4
371.11115	0.5
383.07718	5.6
415.10342	11.5
425.08459	0.5
529.26166	0.9
545.16614	1.0
557.12836	0.6
589.15643	4.6
589.29285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01376	3.6
60.20138	0.5
60.99291	1.0
67.01891	6.9
69.03452	1.0
69.58942	1.7
69.73808	0.4
71.01380	3.8
77.03967	0.6
81.03457	1.2
83.01397	0.4
83.05030	1.3
85.02951	4.9
87.00872	3.1
89.02444	0.5
93.03460	38.2
95.05039	1.5
98.21851	0.8
99.04567	0.5
105.03451	3.9
109.02936	1.9
111.00882	4.3
111.04517	6.3
113.02448	0.4
123.04502	0.8
127.04019	0.7
129.01936	0.6
130.54642	0.4
132.02158	0.7
133.02959	26.4
134.03809	2.0
135.04527	8.5
136.05324	1.0
137.02444	5.5
150.03212	0.7
151.04060	0.6
154.99881	0.8
155.03529	5.7
160.01608	2.7
161.02461	0.9
173.04552	100.0
174.04865	1.5
177.01923	18.3
178.02785	2.3
179.03493	3.6
191.05618	46.9
192.06007	0.6
207.02986	7.0
208.03737	1.2
215.05678	3.4
222.05342	6.6
223.06091	4.1
237.07683	7.3
265.14368	0.6
307.08301	0.7
351.07202	6.5
352.07904	0.7
364.41815	0.5
366.09753	0.9
367.10269	0.9
383.07663	2.2
397.09262	3.1
415.10416	2.7
541.87506	0.5
545.16425	1.1
557.13171	2.5
589.15607	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39669	0.6
56.93864	0.6
57.03466	1.5
59.01379	13.9
59.01659	1.0
60.99322	1.9
61.98838	0.8
67.01892	6.5
67.02182	0.6
69.03463	2.0
69.54292	1.8
71.01377	7.1
73.02944	4.5
80.17133	0.6
81.03474	2.2
82.95405	0.6
83.01385	1.3
83.05040	1.7
84.95129	2.1
85.02950	10.4
87.00878	5.5
88.98802	1.8
89.02475	1.9
90.39420	0.6
93.03455	47.0
96.02223	0.8
96.96051	0.7
97.02954	0.6
98.22588	0.8
98.61671	0.6
99.00881	1.0
101.02417	3.4
101.22395	0.6
109.02979	1.9
111.00922	1.7
111.04506	6.4
113.02444	3.1
119.03513	0.8
127.04011	1.8
129.01991	0.6
130.08748	3.4
132.02138	0.7
137.02461	4.4
155.03502	5.1
161.04561	1.0
173.04544	93.9
174.04874	0.9
187.11311	1.1
191.05603	100.0
192.04254	0.7
192.05965	1.7
196.18817	0.6
205.12334	1.5
209.06122	1.0
223.07651	0.6
235.04080	1.3
237.05948	0.6
251.07104	0.9
253.05107	1.7
253.09315	0.7
263.03409	1.5
267.06628	1.6
268.07498	1.1
279.02914	2.6
281.04510	1.7
295.06119	3.4
296.06876	4.0
297.11752	1.8
307.02661	3.0
307.05496	0.7
308.02921	0.8
309.03854	1.9
323.05630	5.7
324.06406	3.4
325.06833	0.7
335.02026	4.2
339.08472	2.0
350.04404	4.6
351.04886	1.3
356.46436	0.7
365.06659	4.0
368.05298	3.1
371.11057	1.3
383.07666	16.7
397.04199	1.0
397.09259	17.7
398.09467	0.9
404.81995	0.8
409.86786	0.7
415.10339	18.2
416.10471	1.1
453.90762	0.8
529.26196	1.9
544.27380	1.2
545.27728	4.4
557.12842	3.5
589.15887	3.7
589.23914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12683	0.7
54.53596	0.9
59.01381	8.8
61.98822	1.0
67.01869	0.8
69.03448	0.8
71.01379	5.1
73.02939	2.9
81.03471	1.4
83.01389	1.2
83.05035	2.3
85.02949	6.7
87.00883	1.6
89.02457	2.3
93.03459	6.6
96.96017	2.8
98.21890	1.9
99.00861	1.3
101.02455	3.6
111.00900	3.8
111.04527	7.7
113.02432	1.5
127.04072	1.6
129.01949	1.4
137.02409	1.0
143.03455	0.7
149.02452	3.1
149.04491	1.0
155.03519	8.6
159.74486	0.8
161.02451	1.1
161.04581	1.0
173.00879	2.4
173.04561	13.1
174.03215	1.1
181.06697	1.2
191.05617	50.6
192.05997	0.8
209.06166	4.9
211.07660	1.1
223.07866	0.9
225.05539	2.3
237.05615	2.6
239.03561	1.4
239.07237	2.2
250.06401	0.9
251.03499	0.8
251.07259	3.5
253.05089	9.0
254.05730	1.0
263.03329	1.4
266.05737	0.9
267.06647	9.3
268.07428	5.0
270.09058	0.9
277.05133	0.9
278.05930	1.3
279.02856	0.9
279.06775	2.0
280.03809	1.4
281.04675	7.1
282.05377	1.2
284.06931	3.4
287.05777	1.1
291.03067	0.7
293.04620	1.1
295.06116	20.0
295.09387	1.5
296.06900	25.6
297.04150	2.4
297.07336	1.5
306.05283	2.2
307.05975	1.7
308.03284	2.0
309.04080	14.5
310.04730	2.6
312.06409	3.2
323.05609	33.8
324.06384	20.0
325.03540	1.9
325.06989	1.6
335.01974	2.7
339.08725	10.1
340.05746	1.0
350.04276	3.6
353.03113	1.9
365.06564	2.2
368.05386	22.5
369.06100	2.0
371.11404	6.1
383.07748	79.5
384.08051	3.9
397.09271	14.9
398.09332	1.0
415.10349	100.0
416.10428	4.5
529.26733	3.6
545.16797	2.2
557.12970	8.2
558.13867	1.0
589.15631	17.2
589.24451	0.6
589.29205	0.9
590.15845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53359	9.4
59.01375	33.1
61.98816	23.0
69.08012	18.3
69.08427	39.9
71.01388	11.9
76.52031	10.3
80.96552	11.0
88.05412	11.5
96.96010	11.6
116.33875	9.8
116.92854	100.0
125.64947	9.1
135.37444	11.5
240.04346	16.4
263.48541	12.3
265.58646	10.2
295.06100	11.3
298.08313	14.2
299.09366	15.1
310.08347	18.1
313.10760	16.1
317.74460	12.8
325.10898	19.3
361.12970	29.0
373.12933	44.7
589.17072	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77049	5.4
55.20521	5.1
58.26137	5.2
59.01368	29.4
61.98830	30.5
64.02236	4.9
71.01371	13.5
73.63183	6.0
96.93972	5.4
96.94766	5.6
101.02425	5.9
119.89397	5.7
126.38632	5.9
149.38196	5.5
153.01991	8.5
163.01306	5.6
171.10162	10.1
179.03378	7.0
198.57376	6.4
226.60291	5.2
235.17038	44.1
244.82251	5.4
252.60315	5.8
253.09235	39.2
275.20181	100.0
276.20526	7.1
293.21176	96.8
365.06683	9.5
379.08157	13.7
380.08917	11.2
396.79108	6.3
472.49640	6.0
505.52237	6.1
593.35168	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79286	0.3
61.73080	0.3
69.10085	1.5
72.99307	2.5
75.00871	100.0
76.01212	0.5
76.63298	0.2
81.51925	0.3
98.21878	0.6
101.51246	0.3
143.69890	0.3
154.18703	0.2
234.25745	0.2
259.36893	0.3
277.21475	0.4
365.25137	0.3
420.83701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80516	0.4
55.96607	0.3
61.11849	0.3
61.98829	100.0
67.55837	0.4
69.14273	1.6
69.14675	0.6
73.02956	0.3
79.95745	0.4
80.96532	0.9
90.77310	0.3
98.21861	0.6
101.49786	0.3
102.49102	0.3
225.00710	0.3
264.68555	0.4
297.59988	0.3
573.74762	0.4
591.25031	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
57.03432	0.8
59.01377	11.2
61.98823	1.5
69.03447	1.2
71.01383	5.7
73.02946	2.9
81.07087	0.8
83.01389	0.7
85.02963	3.5
87.00867	0.9
88.98803	1.0
89.02445	4.8
93.03455	0.6
95.01411	0.8
95.05001	0.5
97.02993	0.9
101.02455	4.4
103.23872	0.6
108.02160	0.6
109.02946	1.3
111.00926	0.5
113.02437	3.3
119.03500	2.3
121.02963	3.2
122.03726	1.7
123.00887	1.7
125.02439	2.4
132.02197	1.0
133.02966	0.8
134.03763	1.0
135.04521	0.6
135.11824	0.8
136.01660	37.0
137.02454	5.4
143.03479	0.8
149.02501	0.8
151.00389	9.8
151.04004	47.7
152.01176	0.6
152.04614	1.0
153.09178	1.5
159.04451	0.5
160.01669	1.4
160.05266	1.1
161.02449	0.9
161.04550	1.4
162.03221	0.9
163.04010	0.8
164.04730	0.6
166.02705	31.0
167.03378	1.2
168.36316	0.5
175.03911	3.3
175.07622	0.8
177.01971	1.9
177.05557	1.2
179.03523	0.8
179.05611	1.6
179.10785	5.4
181.05054	36.7
181.94173	0.6
182.05331	0.8
190.06360	1.0
191.03462	1.2
193.05110	1.1
195.02989	0.6
205.04958	0.7
205.08803	0.6
221.06670	1.0
263.07623	0.6
267.16003	35.4
268.16312	0.7
286.08560	0.5
311.09250	0.8
323.05856	1.0
323.09784	2.9
329.10361	1.8
339.08621	0.8
357.09756	11.3
369.09586	0.7
369.13708	0.8
372.12094	6.7
387.14471	100.0
388.14774	5.0
591.18353	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50196	1.2
57.03436	1.9
58.00597	1.9
59.01381	100.0
61.98821	1.2
69.03477	1.5
71.01381	54.2
72.99305	3.2
73.02950	3.6
75.00844	1.3
81.07089	2.6
83.01386	3.3
85.02955	9.6
85.04155	1.3
87.00875	4.2
89.02442	55.5
95.01379	4.6
95.05057	1.8
96.96044	1.4
99.04526	6.5
101.02449	29.5
107.05055	1.7
111.00861	2.1
113.02440	27.1
119.03501	23.3
120.05796	1.9
125.02456	1.6
131.03453	3.7
135.04491	1.9
143.03487	5.4
146.03700	1.4
148.09044	1.4
149.04550	1.9
157.06563	1.7
159.08101	1.4
159.11798	1.8
161.04555	10.7
161.13370	19.3
171.08134	1.6
172.08810	1.5
179.05614	24.9
185.09668	2.3
185.13356	3.3
187.11284	43.5
195.66476	1.6
201.11359	1.6
203.14316	2.1
205.12323	54.8
219.13968	1.7
223.13524	1.7
229.12265	14.5
231.10297	2.4
247.13387	4.9
249.11293	53.8
250.11656	1.8
259.13403	1.8
273.11307	1.7
283.13486	2.3
291.12265	4.1
351.14539	4.3
357.08871	1.5
367.12317	2.4
385.18671	22.6
391.17523	2.1
411.16653	20.2
429.17642	64.4
430.18051	1.5
457.24200	1.9
591.22760	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.96322	0.4
58.35538	0.3
60.86245	0.4
66.97260	0.4
70.56802	0.9
88.89185	0.4
251.66252	0.4
280.75604	0.4
443.22501	1.2
444.19431	0.6
445.19470	0.9
455.22369	0.6
456.23639	0.5
458.20917	0.8
459.21985	1.8
471.21414	1.6
471.25769	1.7
472.22549	0.8
473.23596	0.8
476.29761	0.4
482.21051	1.2
485.19739	1.2
486.20560	0.5
487.25562	2.4
489.23019	0.6
497.23511	2.7
498.22214	0.5
499.21390	3.3
500.22165	9.3
501.22449	0.5
512.93713	0.5
514.23755	0.6
515.24487	100.0
516.24939	6.6
518.23224	0.6
519.23871	0.4
547.27350	0.6
559.23584	4.2
567.60266	0.4
591.26410	0.5
619.28064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76908	0.8
55.79527	0.7
57.03432	2.3
59.01379	17.4
61.98818	0.9
71.01384	18.0
73.02938	8.9
73.67958	0.7
75.00915	0.8
79.40701	0.7
83.01366	2.1
83.05035	0.9
85.02943	9.6
86.44804	0.8
87.00874	9.0
89.02448	5.0
95.01363	1.5
96.96029	1.7
97.02901	1.0
98.03732	1.2
99.00877	1.5
101.02440	13.8
111.00848	1.3
113.02456	7.4
114.05592	0.9
116.92851	2.4
119.03471	2.7
121.02957	1.1
123.04502	0.9
131.03506	0.8
159.03004	1.0
161.04556	4.7
175.03928	0.8
179.05583	1.6
225.13043	1.1
243.13757	2.1
259.16785	1.1
284.03198	0.7
287.88525	0.9
295.19147	31.5
296.19464	1.3
301.03430	0.9
309.11841	1.0
310.12350	1.5
311.18649	1.3
342.16528	0.8
367.21295	1.2
387.14349	1.1
457.24426	100.0
458.24759	5.7
473.23953	8.6
531.28485	1.0
555.22784	3.3
591.20972	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48194	1.1
57.03461	1.5
58.00597	2.0
59.01382	21.3
61.98846	1.5
66.16599	1.0
69.69081	3.3
71.01385	17.8
73.02937	9.8
83.01374	3.1
85.02952	9.3
87.00874	10.3
89.02453	4.1
90.00055	1.2
95.01418	1.1
99.00890	2.3
101.02446	10.8
111.00912	1.0
113.02441	5.8
116.92835	1.5
119.03520	2.4
129.01962	1.5
129.27724	1.1
135.04518	6.1
143.56689	1.0
145.02652	1.1
159.03015	1.6
161.04567	3.9
163.00385	2.1
179.05659	1.1
239.03444	3.2
255.03023	2.1
256.03619	2.3
257.03903	1.1
267.02988	2.8
268.03598	3.9
269.04233	1.4
283.02429	2.5
284.03018	2.2
295.19135	38.9
296.03305	6.2
296.19260	1.3
297.03973	4.1
312.02817	8.2
313.03061	11.1
314.03488	1.2
327.04724	1.5
367.21158	1.2
380.78195	1.2
457.24417	100.0
458.24869	6.5
459.09311	9.4
475.08707	4.0
476.09021	16.8
489.10587	2.2
531.28186	2.1
591.14600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50163	0.2
59.01373	1.4
61.08418	0.2
61.98829	100.0
68.94760	0.2
69.62149	0.3
69.62531	0.3
71.01383	0.4
72.47182	0.2
85.02974	0.2
89.02444	0.6
90.02780	0.2
98.21877	0.2
105.54168	0.2
113.20130	0.2
229.25255	0.2
243.43896	0.2
274.63913	0.2
354.37799	0.2
354.49799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98829	100.0
62.45914	0.2
64.20966	0.2
69.97208	0.6
71.01398	0.5
85.02959	0.3
89.02423	0.9
93.03442	0.2
98.22582	0.4
101.02486	0.3
103.41164	0.2
135.04523	1.2
136.04843	0.3
173.04625	0.2
179.03513	0.8
238.90973	0.2
483.14352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96370	0.9
61.98830	100.0
66.60802	0.9
67.14423	0.9
70.95980	1.3
71.01391	1.8
71.43521	0.9
72.47339	0.9
79.95739	2.8
80.96518	13.1
84.99103	0.9
94.98098	2.6
112.53846	1.0
125.02552	1.2
164.98662	1.2
225.00789	2.8
348.49454	1.1
425.68463	1.0
593.26392	20.4
613.01880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.51072	0.2
63.44848	0.2
66.58796	0.2
69.99159	0.8
80.96529	0.7
98.21875	0.4
141.24130	0.2
166.29698	0.3
225.13780	0.3
260.83093	0.3
285.18002	0.3
303.38965	0.3
344.63293	0.2
380.96368	0.3
467.18692	0.3
592.25531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85690	0.5
61.98828	100.0
67.64792	0.5
69.11107	2.5
71.01391	1.2
78.98597	0.9
79.95757	2.0
80.96519	10.6
85.02943	1.1
94.98099	2.2
95.84249	0.5
96.96004	0.6
104.21981	0.6
121.02969	1.4
152.98636	0.6
160.50519	0.5
164.98630	1.1
165.01981	1.6
206.99846	0.7
213.82684	0.7
225.00754	1.3
294.58456	0.6
299.04312	0.6
349.75446	0.5
446.81091	0.5
454.01080	0.6
470.15036	0.5
592.25256	10.8
593.26379	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.44244	0.3
59.01380	22.4
61.98828	1.6
69.78733	1.0
71.01385	1.5
72.99318	0.4
73.02944	0.9
76.41005	0.3
79.95737	4.4
80.96518	2.0
82.95390	0.4
83.01369	0.4
85.02957	0.8
85.89375	0.4
87.00893	0.7
88.98782	1.8
89.02445	0.4
94.98105	0.6
95.95241	0.6
96.96013	100.0
101.02441	2.0
113.02458	1.3
122.97593	1.0
137.06068	0.8
138.97112	1.2
149.04645	0.4
150.97072	0.7
151.00314	0.4
152.98628	5.9
155.07077	0.3
161.04529	0.3
164.01181	0.8
180.98105	2.2
181.05116	1.3
241.00246	50.0
241.37193	0.3
242.00555	0.7
249.05557	1.0
268.08591	0.4
277.05057	1.8
285.07672	4.7
291.06570	0.5
293.04544	0.9
309.07471	0.4
320.03186	0.6
321.04013	1.2
335.05698	3.1
336.06436	2.6
343.10123	0.4
351.08716	8.4
352.08984	0.5
361.87872	0.4
402.45367	0.3
532.27936	0.5
593.09735	48.0
594.09985	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23909	0.3
61.98827	0.5
69.73704	0.7
71.01383	0.3
77.03947	0.3
79.95716	0.5
80.96532	2.4
94.98074	0.5
106.98080	0.3
120.02185	2.8
120.44838	0.3
121.02956	100.0
122.03307	1.3
131.85936	0.3
152.98714	0.3
158.78438	0.3
164.98608	0.3
165.01915	3.7
180.05728	0.4
181.06589	2.5
197.06094	1.6
207.04474	0.7
209.04543	60.9
210.04886	0.8
223.04164	0.3
225.00635	0.4
225.05551	1.8
251.07172	0.3
257.09848	0.4
313.07214	1.9
357.06021	1.0
365.06552	0.3
373.10590	0.4
383.07608	0.8
388.57178	0.3
401.08652	0.5
417.09625	1.2
417.15207	0.3
505.11389	3.4
505.89297	0.3
549.10364	7.5
550.10370	0.5
573.32245	0.3
592.24939	0.4
593.12885	13.8
593.26050	4.8
594.13251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Nicotiflorin
Peak:m/z	Relative Intensity
58.62980	0.2
59.01372	0.6
63.02401	0.4
65.00313	0.9
69.26868	1.3
83.01408	0.6
85.02943	0.4
89.02405	0.2
89.88818	0.2
91.01875	0.2
93.03455	0.9
97.58955	0.2
101.02434	0.3
107.01393	1.9
109.02931	0.4
117.03462	0.4
119.69057	0.2
121.03059	0.2
125.02439	0.5
132.02136	1.2
135.00874	0.9
138.25253	0.2
143.05022	0.4
151.00374	4.1
153.01932	0.4
157.06512	0.4
158.03725	0.4
159.04504	0.4
163.00314	1.8
164.01160	0.5
169.01416	0.3
169.06554	0.3
171.04477	0.2
173.75519	0.2
174.03236	0.3
175.03981	0.6
178.99785	0.3
183.04529	0.7
185.06110	1.2
185.07507	0.2
187.03970	1.6
189.05548	0.6
190.99794	0.4
195.04483	0.3
197.06017	0.5
197.49489	0.2
199.03928	0.9
200.04745	0.4
201.05605	0.3
209.08258	0.5
211.03989	2.6
212.05028	0.2
213.05554	0.9
227.03487	38.1
228.04007	0.9
229.05038	5.0
239.03551	1.3
240.04216	0.5
241.01399	0.3
241.05138	0.8
242.02196	0.3
250.61224	0.2
255.02968	69.9
256.03625	5.1
257.04486	3.3
267.02884	0.3
271.06155	0.3
283.02533	0.7
284.03247	92.3
285.04001	33.1
286.04352	0.9
299.01898	0.5
327.05133	1.2
371.13550	0.5
546.55005	0.3
593.15088	100.0
594.15430	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.08608	0.4
56.32605	0.6
59.01380	2.4
64.39552	0.5
65.00330	0.6
69.25418	2.7
83.01392	1.1
85.02970	1.4
87.00879	0.5
89.02448	1.0
93.03448	1.1
98.22605	1.1
101.02457	1.0
107.01411	1.4
109.02976	1.0
116.79153	0.5
132.02235	0.7
135.00925	2.1
145.06580	0.6
151.00398	2.5
153.02025	0.7
157.06648	0.9
159.04565	0.8
161.02501	1.3
161.04585	0.8
163.00362	2.8
167.05040	0.8
169.06648	0.8
171.04491	0.7
176.04802	1.4
178.99937	0.5
179.05571	0.7
183.04585	1.0
185.06111	3.0
187.03992	2.7
189.05644	0.7
190.06372	0.6
195.04546	0.7
197.06061	1.3
199.04015	0.9
201.05579	0.6
203.84572	0.5
211.03972	2.9
213.05579	1.9
221.08371	0.5
227.03503	33.1
228.03917	1.0
229.05054	11.6
239.03496	1.7
240.04144	0.9
241.05133	1.7
243.02855	0.6
255.02974	55.8
256.03650	5.3
257.04547	7.4
267.02954	1.0
284.03268	70.2
285.04037	91.2
286.04382	2.5
327.05011	1.3
339.08908	0.5
357.13489	3.1
358.95010	0.5
359.14978	0.6
372.12564	0.5
401.12350	1.5
413.12460	1.2
484.50818	0.5
533.25934	1.7
593.15106	100.0
594.15356	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
58.33052	0.6
59.01372	1.8
70.50822	0.9
71.01373	1.5
85.02950	1.5
89.02401	1.0
89.13396	0.5
93.03463	1.1
97.02950	0.7
117.03463	5.2
119.04989	1.2
121.02985	0.7
123.33798	0.5
135.04500	2.2
147.04510	0.6
149.02470	0.9
149.04555	0.6
149.06032	0.9
159.04529	0.8
161.02391	2.2
163.03955	1.8
165.05518	0.8
175.04015	1.8
177.05545	1.3
180.91583	0.5
185.02411	0.6
189.01918	0.6
189.05643	0.9
191.03522	1.3
203.03476	0.7
205.05046	1.1
221.04385	0.9
224.84741	0.5
225.05280	0.6
233.04416	0.8
242.17424	0.6
245.04620	1.0
251.07094	0.7
253.08827	0.8
267.06693	0.8
268.07483	0.9
282.05322	2.1
283.06104	2.4
295.06085	5.0
296.06870	4.4
297.07666	19.8
307.05936	1.7
309.07645	2.4
311.05630	2.9
323.05643	3.8
324.06433	1.4
325.07159	9.6
328.05737	1.6
335.05685	1.6
337.07043	3.0
341.06686	0.7
351.05029	1.7
353.06659	40.6
354.07010	0.8
355.08109	1.0
356.05286	0.9
365.06607	5.9
383.07727	25.3
395.07642	2.0
405.53778	0.6
413.08780	3.1
425.09061	0.8
473.10837	11.0
490.10541	1.3
503.12228	2.9
593.15112	100.0
594.15234	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1876
Annotation	Poncirin
Peak:m/z	Relative Intensity
59.01382	7.4
59.99733	0.2
61.98829	1.0
63.02399	0.9
63.09442	0.2
65.00327	1.9
66.91980	0.2
69.54022	0.4
69.54342	0.2
71.01381	0.7
73.02953	0.5
79.95716	0.4
80.02672	0.4
83.01382	2.2
85.02946	0.7
85.33466	0.2
87.00864	0.3
88.98817	0.8
89.02418	0.2
93.03442	0.4
94.98166	0.2
96.96011	12.3
101.02433	0.7
107.01385	3.8
108.02196	2.0
109.02950	0.3
111.00822	0.2
113.02440	0.4
119.05046	0.7
120.02155	0.2
121.02953	0.3
123.00874	0.6
124.01674	0.6
125.02466	0.5
131.01418	0.3
133.02975	0.5
136.01665	3.5
137.02402	0.2
137.06085	0.5
139.03947	0.2
149.02446	0.3
151.00368	8.0
152.98630	0.8
159.04462	0.4
160.05235	0.2
161.02357	0.2
163.00417	0.2
164.01155	12.5
165.01567	0.2
166.87289	0.2
173.04610	0.3
175.00339	0.8
175.07646	1.3
177.01959	0.5
180.98149	0.2
181.05043	1.9
183.04492	0.4
184.05241	0.5
186.03233	0.7
187.03957	0.5
187.11290	0.2
188.01146	0.3
191.05580	0.3
196.00160	1.4
197.06087	0.2
198.06833	1.2
199.07657	0.5
201.05592	1.6
203.07152	0.3
215.07108	0.4
217.08618	0.9
225.05521	0.5
226.06306	1.2
228.04227	0.6
241.00232	6.0
241.08673	2.8
243.06590	3.4
249.11258	0.2
255.06635	0.3
257.08206	0.4
269.04642	0.6
270.05356	4.3
271.05881	0.3
281.08313	0.2
283.06116	0.4
285.07675	100.0
286.08035	2.8
294.05219	0.4
299.09189	1.1
309.07675	5.2
310.08026	0.3
327.08728	2.9
335.05630	0.3
336.06137	0.4
343.10300	0.4
351.08600	1.2
353.19107	0.2
379.38977	0.2
452.00262	0.3
512.31683	0.2
593.09631	5.8
593.18927	10.1
594.10004	0.5
594.19080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09426	1.8
54.15719	1.7
57.03445	4.6
59.01379	38.9
69.33253	10.4
71.01380	50.2
73.02947	15.8
78.95905	2.4
83.01379	6.1
85.02953	21.3
87.00885	2.7
89.02448	20.9
97.02933	4.6
98.22581	4.4
99.00881	17.6
101.02441	34.1
113.02463	19.2
119.03538	3.5
125.02454	7.3
129.01932	3.3
131.03470	3.7
134.03813	2.6
143.03607	3.1
149.04561	10.4
150.03171	2.1
159.03023	4.3
161.04568	20.1
165.05560	3.0
167.84676	2.0
191.05562	5.6
193.05023	2.8
203.10803	2.1
204.59427	2.2
207.08011	4.8
269.10266	24.5
319.28043	2.3
333.16751	2.4
348.42480	2.0
401.14377	22.0
458.24545	2.3
533.18512	100.0
534.19250	3.9
593.14801	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85028	0.3
55.01849	0.3
56.19425	0.3
58.11213	0.3
59.01377	2.2
61.98834	1.7
67.91372	0.3
71.01376	1.4
71.43209	0.3
84.96440	0.3
85.02979	1.5
89.02460	0.8
96.96012	1.9
101.02434	0.9
111.00829	0.3
113.02443	0.6
119.03482	0.4
119.04999	0.6
121.02963	2.6
122.03750	0.7
122.59155	0.3
131.46498	0.3
135.04568	0.4
136.05292	0.4
137.02428	0.7
138.03192	0.5
145.02945	1.6
147.04491	1.4
152.04779	0.3
153.01875	0.4
158.03709	0.6
161.06082	0.5
162.03218	0.3
163.03998	5.1
165.01938	0.4
167.03459	0.3
167.06992	0.3
173.02382	0.7
174.03220	2.5
175.04005	13.0
176.04758	3.1
177.05556	1.3
179.03505	0.7
180.04297	3.5
181.04964	0.3
188.04779	2.4
189.05562	5.7
190.06355	17.2
191.03453	0.4
191.07127	12.3
192.04309	0.8
193.05042	4.1
194.05823	1.8
195.06631	0.5
203.07062	1.8
204.07919	0.4
205.08688	14.1
206.08907	0.4
207.06627	3.2
208.07394	18.5
209.07874	0.4
222.08965	4.6
223.09727	0.9
227.03471	0.4
255.02899	1.4
284.03223	0.9
285.04041	0.9
289.10959	0.4
344.12585	2.7
359.14978	100.0
360.15344	4.5
389.16052	3.1
401.15839	0.4
437.43103	0.3
448.54300	0.3
471.12918	0.6
549.29028	0.5
593.15228	2.1
593.23438	0.4
593.24982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90346	0.1
55.01862	0.3
57.03437	0.2
59.01377	100.0
60.01720	0.4
61.80234	0.1
61.98850	0.3
68.16312	0.1
71.01379	3.1
73.02934	1.0
75.00869	0.2
79.95744	0.6
80.96501	0.3
83.01397	0.5
85.02948	1.7
87.00882	0.2
89.02464	0.9
95.01419	0.2
96.96010	15.0
98.21819	0.3
99.00881	0.3
101.02438	1.6
113.02451	2.1
121.02947	0.2
122.97555	0.2
133.43839	0.1
138.97075	0.2
143.03487	0.3
151.95250	0.1
152.98662	0.9
159.02982	0.2
160.05403	0.2
161.04504	0.9
164.04771	0.2
166.96620	0.2
180.98120	0.3
184.21101	0.1
205.64500	0.1
221.02216	0.1
241.00220	6.8
241.02702	0.3
277.05005	0.3
284.92480	0.2
293.04691	0.2
311.12802	0.4
321.03992	0.3
326.15222	0.4
335.05499	0.6
336.06335	0.6
341.17548	0.3
351.08661	1.1
389.19644	1.0
432.05249	0.1
461.82712	0.1
533.23669	0.4
551.25000	0.2
593.09656	6.4
594.10468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
50.25548	0.4
59.00161	0.3
59.01373	0.9
61.98827	7.9
63.96238	0.8
69.03456	0.4
69.63146	0.8
69.63479	1.0
71.01379	5.6
73.02943	1.4
77.72913	0.4
78.29978	0.4
78.98592	4.4
79.95733	30.7
80.96514	49.5
81.03458	0.7
82.96118	0.4
85.02946	2.1
87.00873	2.3
94.98083	12.0
96.96007	1.3
97.02930	1.0
98.21871	0.5
99.00828	0.5
101.02430	1.2
106.98077	2.5
113.02454	0.6
122.97587	2.4
125.02460	2.4
127.04015	0.6
134.97591	4.2
136.99115	1.5
148.99144	4.2
152.98628	5.2
158.21759	0.4
161.04527	1.3
164.98625	8.9
178.41681	0.4
179.00328	0.5
182.99535	0.5
190.52643	0.4
206.99623	2.1
225.00745	14.3
241.00259	2.1
293.21057	0.6
299.04443	3.3
315.03735	1.2
341.05371	0.7
371.06522	2.6
385.08035	1.4
399.09509	2.1
413.11401	0.9
427.12634	0.8
441.14337	0.9
455.15820	2.1
481.17383	0.8
495.19073	1.4
523.18414	0.8
539.67224	0.4
572.47943	0.4
593.26331	100.0
594.26520	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01579	0.7
59.01347	0.7
66.91743	0.5
70.05702	1.2
74.30704	0.6
74.51597	0.5
78.95900	62.5
86.88879	0.5
96.96357	0.9
96.96958	14.1
116.76736	0.5
150.98051	0.6
152.99585	60.1
160.33299	0.6
171.00520	0.7
223.00111	2.8
241.01189	32.0
277.21707	53.9
278.21982	2.7
302.10580	0.5
315.04846	9.6
343.33804	0.5
413.20917	6.2
525.99219	0.6
593.27295	100.0
594.27771	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98827	10.1
63.28212	0.8
63.78505	0.9
69.24690	5.3
71.01381	1.1
72.00914	4.4
80.05054	1.1
82.01696	0.9
82.06592	2.4
83.02486	1.3
85.02923	1.1
85.06586	1.6
85.57529	1.0
89.02425	1.3
93.03471	10.6
95.02480	1.2
96.08185	3.6
96.95998	0.9
98.01197	1.0
98.21832	1.8
100.07676	2.0
106.04247	1.4
107.05022	2.1
111.02009	2.8
112.07683	1.0
116.05088	1.7
118.06607	5.4
119.05024	18.7
120.54424	0.9
127.08750	4.3
128.07173	5.8
130.08704	4.1
132.03290	1.6
133.05333	2.5
134.06125	15.4
137.03539	1.3
137.07225	8.0
139.08725	1.1
146.06107	5.5
153.06662	2.8
155.08244	6.7
160.03963	1.0
162.05623	1.4
163.04002	16.9
163.11246	1.1
173.07173	1.6
175.08757	33.2
180.06653	66.2
180.09148	2.7
181.07072	1.5
181.31332	0.8
185.07178	1.6
186.05609	6.5
189.06680	3.8
190.05145	2.8
191.08107	1.2
203.08310	3.2
205.13487	0.9
206.04652	0.9
218.14180	8.1
223.14500	36.4
224.12854	3.5
225.56882	0.9
229.13474	1.0
239.11917	1.5
241.13138	2.1
241.15569	37.9
248.10989	1.0
256.14505	1.2
257.13034	1.2
266.11819	6.1
292.09830	2.0
309.12329	1.4
309.16422	1.4
309.19720	18.8
310.10846	2.1
314.04312	1.2
343.20081	1.7
353.18698	100.0
354.19040	5.7
359.17603	2.6
370.21249	1.5
381.28369	1.1
387.16589	1.4
428.21762	2.6
448.18756	1.5
490.26987	5.1
506.26672	1.2
534.26093	37.3
535.26288	2.3
547.27667	0.9
593.14935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	65.5
60.97729	15.2
61.98829	51.5
69.10702	83.1
71.01381	100.0
73.02942	33.5
83.01379	18.0
85.02944	48.9
89.02457	30.6
99.00914	18.9
101.02442	96.8
103.17950	14.0
113.02421	55.9
119.03425	15.5
161.04547	94.0
216.21916	15.3
270.43655	14.9
551.24640	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.21104	1.1
69.21524	1.7
69.26417	0.4
78.91891	2.9
78.95914	0.9
81.69370	0.4
90.67811	0.5
94.04268	0.4
97.38030	0.4
103.46642	0.4
104.97285	0.4
120.94832	0.4
152.99567	0.7
184.75748	0.4
243.73589	0.4
462.54773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13797	0.3
59.01376	4.0
59.35779	0.3
61.98833	1.4
65.00330	0.9
69.35177	0.9
69.35571	0.8
71.01386	1.4
83.01397	0.6
89.02453	1.4
96.95978	0.4
101.02450	1.0
104.54324	0.4
107.01406	1.3
108.02161	1.6
111.52137	0.3
113.02489	0.6
119.03526	0.4
121.02917	0.9
135.00935	0.8
148.01692	1.5
151.00385	4.8
161.04495	0.4
162.03224	2.0
163.00459	0.8
164.01164	1.1
177.05583	3.5
178.99847	3.1
179.05542	0.4
182.24767	0.3
195.06664	0.4
199.03912	0.8
211.04124	0.4
215.03461	0.9
216.04330	0.4
226.02794	1.2
226.29753	0.4
227.03525	2.2
243.02960	9.6
244.03540	0.5
245.04346	0.4
254.02254	2.1
255.02980	24.8
256.03391	0.5
271.02478	53.3
272.02927	2.6
273.03909	0.8
299.02032	2.3
300.02740	100.0
301.03448	11.1
391.13461	0.3
445.08173	0.5
463.09164	0.5
475.09109	0.4
595.13043	66.8
596.13269	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1305
Annotation	Peltatoside
Peak:m/z	Relative Intensity
50.95168	0.4
53.52915	0.4
55.14486	0.4
55.20512	0.4
65.00355	0.4
67.72965	0.3
69.26661	0.3
69.38107	1.0
69.48803	0.4
70.79652	0.3
71.52643	0.4
83.01385	0.4
88.18192	0.4
95.09669	0.3
99.38836	0.3
107.01405	1.3
108.02189	1.1
109.02942	0.5
121.02951	1.0
135.00882	0.7
148.01685	1.1
151.00363	5.3
163.00371	0.8
178.99828	3.2
199.03979	0.9
211.04028	0.6
216.04134	0.4
226.02658	1.4
227.03517	2.4
239.96481	0.4
243.02977	8.4
254.02116	1.4
255.02974	23.1
255.56282	0.4
256.03326	0.6
271.02472	50.9
272.03079	2.7
276.08578	0.3
283.02405	0.5
299.02066	2.1
300.02734	100.0
301.03403	12.0
343.04782	0.4
595.13007	59.3
596.13568	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
56.24785	0.6
57.03447	15.8
59.01377	4.6
59.45599	0.6
61.18757	0.6
61.98820	1.5
67.01933	0.6
67.99231	0.6
70.15635	1.5
71.01385	3.2
73.02939	1.0
79.95733	2.6
83.01395	4.5
84.02159	1.4
85.02947	100.0
87.00876	1.4
89.00346	0.7
89.02456	2.2
90.25350	0.7
93.03453	0.8
95.01424	0.7
95.95216	1.0
96.96012	15.0
99.00937	0.8
101.02430	1.8
106.00634	1.3
111.00884	12.5
120.26878	0.7
121.02965	19.3
123.00890	1.3
125.02422	1.0
129.01938	46.2
137.02435	0.8
138.03229	1.8
139.00461	0.7
141.03693	0.7
145.01483	0.6
147.02992	11.3
149.02419	6.9
151.00311	1.0
152.01073	0.8
153.05574	11.6
164.04799	6.3
164.37062	0.7
167.00043	0.6
173.00908	13.1
173.04536	1.0
175.00380	2.1
177.01851	0.8
179.03392	0.7
179.07140	1.5
182.02194	2.6
190.02724	4.6
191.01981	9.0
193.01418	1.3
197.04543	27.6
205.05016	4.8
208.03714	1.8
209.02979	1.5
216.07364	0.7
223.06105	6.5
233.04611	1.3
237.07677	1.0
265.07089	4.0
291.08740	3.1
300.02771	1.2
307.82361	0.8
327.07242	2.3
353.08707	3.8
371.06287	3.8
389.07281	3.0
397.07422	1.3
447.57867	0.9
471.71793	0.9
500.10046	1.5
515.12292	16.7
516.12427	1.2
535.23810	1.3
594.62476	1.7
595.12280	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.167
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.39812	1.1
50.49038	1.4
51.65035	1.2
57.03441	4.6
59.01367	5.8
61.98822	5.6
62.06612	1.4
65.00302	1.2
71.01369	5.4
73.02948	2.2
79.95724	1.8
81.03464	3.7
83.01387	5.8
85.02946	34.4
89.02451	4.6
93.03466	8.0
96.96018	8.4
97.02948	5.1
99.00882	3.5
101.02431	4.7
107.01373	6.0
107.05044	1.9
109.02934	2.1
111.00871	3.8
111.04531	2.0
113.03582	2.1
114.01955	3.7
116.92847	3.9
119.05028	36.5
121.02969	9.5
123.00896	2.4
123.04514	2.4
125.02438	8.2
129.01950	16.2
131.04630	13.2
133.02994	1.6
135.04509	2.8
137.02446	7.0
139.03983	6.1
143.05017	4.0
143.15335	1.2
145.02965	4.6
147.02971	2.2
147.04526	2.3
149.02521	6.6
149.04631	3.0
150.03192	1.7
151.00365	5.6
151.04047	1.3
153.05576	4.2
161.02444	1.8
161.06120	2.8
163.00362	3.6
163.03979	3.4
164.04803	2.7
165.01909	8.1
165.05487	1.5
167.03506	9.1
173.00905	5.8
173.02193	1.3
175.03888	1.7
177.01944	5.7
177.05579	2.0
179.03465	3.5
187.03970	8.6
190.02904	1.7
191.01973	2.6
191.03526	3.8
191.05421	1.7
193.01413	11.7
193.05101	2.3
197.04518	13.4
199.07684	1.5
205.01428	6.5
205.05037	1.4
207.02959	3.5
209.04572	3.4
218.02286	1.6
219.03004	2.4
221.04578	1.8
223.02509	1.5
223.06122	2.5
227.07201	3.2
233.04445	2.3
235.02438	14.8
239.05475	1.9
243.06651	1.8
245.08101	1.4
247.02425	1.5
249.04082	1.6
250.11417	1.5
261.04135	1.7
265.03497	4.5
265.09012	1.6
271.06107	5.6
273.00082	1.4
273.03607	1.9
281.08337	1.2
283.06058	2.7
295.06052	1.2
313.07266	16.0
325.07217	7.8
327.08231	1.3
343.07968	6.1
355.08221	88.3
356.08664	3.0
367.08264	5.4
385.09280	71.2
386.09915	2.8
389.07233	1.9
397.09375	5.7
415.10242	20.4
457.11487	9.7
475.12448	36.1
476.12784	2.3
487.12463	6.2
505.13672	11.3
515.12292	8.8
535.23737	2.9
577.15576	5.2
595.16693	100.0
596.17010	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.8
60.96693	1.6
61.98820	3.4
69.03438	1.9
69.35747	3.4
69.36126	4.9
70.02969	1.9
71.01384	50.0
71.31742	1.4
73.02942	22.2
73.76955	1.6
81.03499	2.7
81.49104	1.4
83.01393	4.7
85.02947	17.2
87.71712	1.4
89.02449	70.5
93.03468	2.8
95.01375	2.2
96.95994	3.3
97.02943	6.1
99.00885	32.7
101.02447	40.5
107.01454	2.3
111.00860	2.5
113.02448	9.6
113.03568	6.7
114.01946	6.2
115.04010	2.5
116.92879	2.0
119.03574	2.2
119.05019	8.7
121.02926	2.1
125.02457	10.1
129.01961	3.3
131.03502	10.7
131.04620	29.2
137.02426	1.9
143.03503	2.7
145.02953	1.7
149.02553	2.1
149.04553	54.7
153.05608	1.8
159.98808	1.8
161.04568	6.0
167.03479	2.3
191.05630	24.9
193.01408	2.5
205.01459	1.7
205.12393	3.7
221.06535	8.4
233.06636	5.2
235.02606	3.4
251.07785	8.3
293.08829	4.6
311.09802	5.8
313.07135	2.9
343.08167	2.1
352.03595	1.5
355.08194	19.7
385.09283	16.7
403.19736	6.2
415.10361	4.7
433.14716	1.9
457.11566	2.6
475.12482	7.2
505.13464	2.3
535.23975	100.0
536.24567	4.4
595.16608	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.71528	0.7
54.50872	0.5
62.96395	0.5
69.36296	2.6
75.93008	0.5
78.95902	62.8
79.63834	0.6
82.29977	0.6
82.39632	0.6
96.96959	12.1
98.22640	1.2
134.98561	0.5
135.00110	0.5
148.94493	0.5
150.98030	0.7
152.99597	55.3
223.00124	2.1
241.01181	29.6
242.01418	0.8
279.23294	62.0
280.23541	2.4
315.04831	8.4
415.22485	5.2
433.23410	0.7
522.41650	0.6
535.23914	0.6
595.28882	100.0
596.29156	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22704	0.6
78.56238	0.5
78.95902	60.4
80.25528	0.5
85.23154	0.5
96.96969	12.1
133.62408	0.5
150.98010	0.9
152.99583	53.8
153.99936	0.7
161.60716	0.6
203.80336	0.6
209.62978	0.5
223.00084	2.0
241.01173	29.5
279.23285	61.6
280.23575	2.1
315.04868	8.2
415.22452	6.1
416.23245	0.7
485.49161	0.6
579.84119	0.6
595.28857	100.0
596.29138	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62472	1.3
69.62813	0.8
80.07139	0.4
100.61057	0.4
136.14500	0.5
143.11627	0.5
210.45419	0.5
219.04457	0.4
232.05650	0.4
233.06238	0.7
237.60135	0.5
240.77559	0.4
245.06104	0.6
246.06902	0.5
247.03975	2.1
247.07684	0.8
248.04642	0.7
248.08391	2.4
249.05653	0.7
249.09238	1.9
257.88074	0.4
258.03229	1.1
260.04794	2.2
261.05527	3.4
262.06360	1.6
263.07159	0.7
273.05548	3.6
274.06378	0.9
275.03516	7.3
275.06796	0.9
276.04251	4.6
276.07477	0.7
277.04987	2.3
277.08719	1.7
288.04276	1.0
289.05057	13.2
290.05817	12.3
291.06583	4.3
292.07416	2.1
293.08215	0.8
302.05746	0.5
304.03751	11.8
304.07401	5.6
305.04517	5.7
305.08136	3.1
306.05109	0.8
306.08914	1.3
308.06885	0.7
319.06100	27.6
320.06674	4.2
334.08359	4.0
335.08997	0.5
336.06454	0.7
364.05829	6.5
366.07422	4.0
379.08206	100.0
380.08548	4.6
406.06488	0.4
536.95740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08264	0.7
50.51265	0.7
56.26723	0.7
60.42005	0.8
61.98809	2.9
66.13087	0.7
69.08640	5.3
85.02945	1.1
187.94003	0.7
202.34364	0.9
234.31483	0.8
247.04074	1.6
248.08441	2.0
249.09253	1.1
258.03174	1.4
260.04886	1.0
261.05490	2.8
273.05600	3.2
275.03482	5.8
275.06082	0.8
276.04184	2.1
276.07767	1.2
277.05005	2.3
277.08502	1.4
289.05096	9.1
290.05814	9.9
291.06625	4.3
292.07404	1.0
304.03769	8.4
304.07391	4.6
305.04553	4.8
305.08185	2.2
319.06107	21.5
320.06784	2.8
328.77069	0.8
334.08466	3.2
364.06064	5.0
366.07364	3.5
379.08209	100.0
380.08545	6.3
484.17560	1.0
527.27179	0.9
556.94879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.6
61.66168	1.9
61.98827	3.9
62.53413	2.0
63.03223	2.1
69.14387	8.9
69.14809	5.3
71.01395	3.6
73.19688	1.7
84.04559	4.5
85.02940	5.8
87.95742	2.1
90.40643	2.1
103.27274	2.1
109.04025	3.9
113.02493	2.3
127.05137	12.1
128.03523	8.9
130.06537	2.6
131.04582	5.0
145.06194	36.9
146.06134	2.4
149.89735	1.9
156.04626	3.2
209.11819	4.5
219.06581	2.3
228.08510	1.9
240.04199	11.2
258.12485	5.1
266.05753	2.0
267.06604	7.0
279.06744	2.4
283.06110	5.3
295.06137	22.7
298.08426	12.8
307.88895	1.8
310.08487	25.6
313.10800	37.9
325.07275	2.9
325.10788	21.0
343.11633	5.6
353.48190	2.1
361.09207	1.7
361.12885	89.7
373.12903	100.0
391.14056	10.3
417.84274	2.5
450.14474	2.4
513.30145	2.3
521.01270	1.9
596.20947	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.3
61.98825	1.8
69.03453	0.7
69.54832	1.0
69.55193	1.7
69.88158	0.5
71.01377	9.0
72.99342	0.7
73.02949	3.3
74.02464	0.7
82.03012	0.6
83.01379	1.5
84.04539	2.3
85.02937	3.5
87.00873	1.5
89.02438	4.0
95.01410	0.9
96.95997	4.4
97.02942	0.7
99.00856	1.9
101.02435	9.4
102.05605	47.0
108.02180	0.7
109.02925	1.0
111.00863	1.1
113.02460	2.9
125.02428	0.6
128.03537	53.1
129.01932	0.9
130.05643	0.7
130.06628	12.2
131.04630	0.6
137.02457	1.3
137.03737	0.4
143.03445	0.7
146.04594	37.4
146.06039	2.7
147.04788	0.5
149.02490	0.6
150.03275	2.9
152.01102	0.8
155.03531	0.6
156.04552	4.8
161.04562	1.5
165.05505	3.2
166.02795	0.6
172.07645	0.6
181.01437	0.7
181.05008	0.8
191.05684	0.7
195.06618	1.8
199.08762	0.8
200.07181	1.9
214.08665	0.7
215.11908	1.8
241.09814	1.6
259.10855	3.2
292.11935	5.6
337.09271	0.8
357.13275	0.6
417.15424	0.8
421.15988	0.7
424.15417	0.8
468.15060	17.2
549.57184	0.6
553.21027	0.9
579.17737	2.6
597.19330	100.0
598.19690	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04589	0.7
59.01377	62.6
61.98829	10.4
69.57101	1.8
71.01385	2.9
73.02935	1.1
85.02953	2.2
89.02444	2.1
91.05585	0.8
93.03419	0.9
98.21909	1.2
101.02428	2.2
113.02460	1.3
121.02950	3.0
122.03748	5.4
130.77550	0.9
146.03754	7.6
149.02426	11.5
150.03221	50.8
151.03575	1.1
161.04593	1.2
161.06081	2.5
164.04822	9.9
165.05562	70.5
166.02736	1.8
166.05978	1.0
166.80553	0.8
179.07127	23.3
180.04294	4.5
181.05025	2.5
195.06619	100.0
196.06952	2.2
226.98528	0.8
255.06615	3.1
270.08939	1.7
312.10034	2.9
327.08762	1.4
327.12326	12.7
342.11221	1.8
345.13339	11.0
357.13403	11.0
375.09863	1.2
375.14487	23.4
376.14645	1.1
387.16794	1.4
417.15567	2.2
431.83691	0.8
477.28137	1.0
536.24207	1.4
537.24677	4.4
581.89789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92300	2.3
52.84348	2.3
56.68729	2.5
59.01377	100.0
61.98820	4.8
62.28294	2.3
69.15220	12.8
71.01376	53.0
72.99296	2.5
73.02921	2.7
76.83814	2.3
78.91875	6.6
85.02948	14.0
87.00873	2.9
89.02445	78.9
95.01360	4.0
101.02449	24.5
107.01344	2.5
113.02441	21.7
119.03491	28.5
143.03481	6.8
151.00302	4.3
158.03693	3.2
161.04494	8.0
166.02689	3.2
179.05612	35.5
191.05615	3.4
208.91734	2.4
223.09895	2.5
243.02895	5.9
244.03322	2.3
245.03458	2.8
251.07040	2.8
254.02213	2.6
255.02936	10.8
256.03262	7.7
257.03610	5.4
271.02451	19.6
272.02814	15.4
273.03018	21.5
281.08112	3.6
282.08893	4.5
297.11270	5.6
300.02740	39.8
301.03125	27.6
302.03320	36.5
303.03986	5.6
327.12387	18.0
334.33221	2.5
357.13480	4.3
434.26364	2.6
508.05826	2.9
597.13641	67.8
597.22290	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98826	2.4
63.09111	1.3
66.24701	1.3
71.01387	15.8
73.02940	2.3
85.02952	7.1
89.02444	21.0
93.03479	2.3
95.01354	1.6
101.02443	8.4
113.02433	6.9
115.07597	1.5
116.34596	1.3
119.03492	6.2
121.02948	6.2
122.03741	5.1
129.01927	1.5
131.03531	2.0
143.03549	2.9
145.03049	1.3
146.03752	11.2
149.02444	39.9
150.03217	46.8
159.06636	2.3
161.02429	2.0
161.04573	3.2
161.06046	2.8
164.04791	18.0
165.05566	75.0
166.02728	1.5
169.20929	1.3
179.05592	8.3
179.07146	25.2
180.04292	3.8
191.02040	1.8
195.06625	81.3
196.06961	2.0
209.02925	1.7
212.20212	1.3
266.35898	1.4
267.06601	2.8
283.09872	2.0
297.07703	1.5
312.06638	1.8
312.10040	21.7
313.10324	1.6
327.12354	94.1
328.12558	3.2
345.13373	5.7
357.13364	4.6
375.14435	39.6
376.14960	1.6
477.52313	1.3
512.73254	1.5
537.25433	3.2
557.06152	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.54180	2.7
60.92772	3.0
61.98825	11.4
70.13908	5.0
71.01383	60.6
78.91884	9.8
85.02952	12.8
87.00894	5.7
89.02448	79.3
95.01382	3.3
101.02441	22.4
109.02943	2.9
113.02432	24.3
119.03508	33.3
121.02987	6.7
121.92725	3.2
122.46401	3.4
131.03384	3.8
143.03499	9.4
151.00327	4.6
161.04552	10.0
164.46922	3.0
165.05513	6.0
166.69005	2.6
179.05617	35.2
191.05623	3.3
209.04584	3.8
255.02988	10.3
256.03302	6.5
257.03595	4.6
271.02444	24.1
272.02795	20.1
273.03098	16.4
300.02643	42.7
301.03186	37.8
302.03387	43.5
327.12503	14.2
357.13107	4.5
427.24597	2.7
597.13599	78.4
597.23999	4.1
597.27826	7.1
598.13422	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77678	1.7
55.01903	1.6
55.82357	1.8
57.03434	4.3
59.01374	70.4
61.70387	1.6
61.98829	8.7
68.44104	1.7
69.03464	2.2
69.45498	6.7
69.75162	2.0
71.01382	20.1
73.02948	9.7
75.00877	1.8
83.01398	3.6
85.02948	33.1
87.00869	2.2
89.02444	5.6
95.01391	2.7
96.96011	7.5
97.02951	1.8
99.00880	3.8
101.02451	20.0
109.02970	2.0
111.00881	2.3
113.02456	7.9
116.92918	2.0
119.03523	2.5
123.43005	1.8
129.01936	3.0
135.04515	3.3
140.03696	2.1
147.02989	3.5
161.04547	3.6
173.04617	2.3
191.02023	7.4
191.05598	6.4
209.03067	2.5
217.15918	1.7
275.16519	2.2
286.04883	1.6
331.19205	2.4
419.98474	1.6
493.24490	3.4
553.26563	100.0
554.26727	3.9
578.42908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01377	100.0
61.98833	1.9
69.22909	0.6
71.01377	6.2
73.02963	1.2
75.00882	1.1
81.27669	0.6
83.01384	1.2
85.02948	9.4
89.02446	3.3
93.03466	1.5
96.96011	5.1
101.02457	3.8
104.28469	0.7
109.02972	2.3
113.02467	2.0
116.92860	4.2
117.92901	1.4
118.92694	1.4
119.03527	0.8
121.02955	12.6
122.03745	1.8
129.01959	1.3
134.03763	1.8
135.04578	1.0
147.04570	1.5
149.06084	1.4
161.04555	1.7
161.06023	0.7
165.05565	10.1
173.04657	1.1
179.07112	3.5
191.01945	3.7
191.05675	1.0
209.02980	3.2
289.11234	1.3
314.04306	0.9
329.13876	1.2
360.15744	9.2
375.18106	58.9
376.18777	2.0
387.14557	0.8
393.18683	0.8
435.19852	0.9
464.18542	1.2
477.10358	1.0
535.21979	0.9
537.22455	3.6
553.23315	0.8
555.23657	0.9
597.35632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38504	1.5
57.03437	2.2
58.83564	1.3
59.01376	17.6
61.98816	1.8
69.03436	1.4
69.15069	8.2
71.01381	10.4
72.61880	1.3
73.02943	3.6
75.66440	1.5
78.92937	1.4
82.95415	3.0
84.00759	1.4
85.02944	17.0
89.02435	3.8
96.96011	1.7
99.00895	1.5
101.02431	5.8
113.02444	5.3
119.03490	1.7
125.02441	1.6
129.01901	1.7
134.03769	2.1
147.03026	1.8
191.01947	4.9
209.03052	1.7
254.72552	1.5
395.58774	1.7
399.23898	5.6
561.29108	100.0
562.29486	6.2
597.26898	46.1
598.27612	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3044
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
51.05137	0.8
51.10548	0.8
52.14780	0.9
60.67728	0.8
63.87538	0.8
70.59660	1.6
78.95903	71.1
92.92805	2.1
95.12920	0.8
96.96964	12.1
100.59992	0.8
100.65400	1.0
152.99593	65.9
171.00636	1.2
223.00078	3.9
241.01183	32.0
281.24857	72.3
282.25259	2.2
315.04907	9.3
351.74149	1.0
417.24149	3.6
481.25589	1.5
597.30396	100.0
598.30585	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81506	0.5
61.73633	0.7
61.98825	0.9
68.22934	0.7
69.17435	3.0
78.95904	65.4
79.77045	0.7
86.60965	0.6
92.92763	0.8
96.96964	15.4
146.14134	0.7
152.99590	55.8
171.00632	0.8
223.00102	1.9
241.01195	31.2
259.01971	0.7
281.24863	73.0
282.25192	2.9
315.04904	8.3
417.24185	5.0
494.22595	0.7
561.21387	1.1
597.30450	100.0
598.30872	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65079	0.5
68.38476	0.4
69.15108	2.6
69.28201	0.5
70.98913	0.4
72.36422	0.4
78.95901	64.5
84.69464	0.5
92.92780	0.9
93.63210	0.5
96.80331	0.5
96.96953	14.2
98.22652	0.9
100.34052	0.5
113.54995	0.5
150.97961	0.7
152.99588	52.1
171.00665	1.1
175.52831	0.5
202.88062	0.5
223.00116	1.7
229.03587	0.5
241.01187	32.0
259.02164	1.0
281.24860	63.9
282.25186	2.5
315.04837	7.3
341.51859	0.6
380.81683	0.5
417.23962	4.9
418.23944	0.7
597.30426	100.0
598.30969	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49007	0.4
57.03448	0.3
59.01381	4.9
61.98822	0.7
71.01384	2.9
73.02964	0.7
75.00890	0.7
81.03462	8.8
83.05026	32.1
85.02969	1.9
89.02443	2.3
92.78528	0.4
96.96011	10.2
100.07679	4.4
101.02447	1.6
104.06569	0.4
113.02457	0.4
119.03510	0.9
126.05639	0.6
129.01964	0.5
149.04489	0.4
179.05716	0.5
191.01947	1.6
199.13400	4.1
199.18156	5.5
207.14987	0.5
209.03111	0.9
225.16087	8.1
231.55180	0.4
235.08337	0.4
243.17120	17.4
258.42865	0.4
269.14981	1.3
287.09634	1.6
290.50900	0.4
297.49304	0.4
309.21747	1.1
349.78433	0.4
353.20801	7.1
375.14478	0.4
397.13504	1.6
415.14389	0.9
435.20236	0.5
451.32953	2.2
464.18118	1.0
469.27286	0.8
469.33929	14.7
470.34680	0.8
553.39587	0.5
579.37567	3.8
597.38672	100.0
598.39142	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00060	0.9
53.08551	1.0
53.65866	1.0
59.01378	71.2
61.98824	2.0
71.01382	6.2
72.99324	1.3
73.02953	1.1
79.83278	1.0
85.02943	4.3
87.00880	1.8
89.02467	5.2
93.03468	1.1
95.02587	1.0
99.00861	1.4
99.30828	1.1
101.02434	5.2
113.02445	2.5
121.02892	2.3
122.03764	2.4
125.02388	1.2
125.09710	1.7
127.11287	1.6
137.02434	1.0
149.02434	49.8
150.03218	18.4
151.11282	1.9
155.10814	1.1
164.04782	12.4
165.05563	23.2
166.06190	1.3
167.07159	1.9
180.04240	2.5
181.08749	1.2
191.01974	2.0
195.06602	16.0
199.09761	1.5
201.11316	52.5
213.07529	1.1
213.11272	2.9
235.08290	1.5
283.09747	1.8
294.64279	1.1
314.11572	22.2
315.11841	1.7
318.55655	1.1
329.13913	100.0
330.14200	3.3
377.16013	57.0
397.13345	4.4
415.14560	8.3
437.20413	1.4
502.37378	1.3
599.25909	2.3
599.34668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
55.01875	5.1
57.03441	5.1
59.01374	6.3
61.98814	0.8
67.48927	0.8
69.03453	100.0
69.11447	2.4
69.11864	1.6
70.03796	0.8
70.76606	0.5
71.01385	3.4
72.99298	2.2
73.02968	1.0
79.01880	4.8
82.95436	0.6
83.01398	0.8
85.02949	32.1
86.03304	0.7
86.33664	0.6
87.00879	0.7
89.02432	0.9
95.01397	1.4
96.96005	4.8
97.02940	18.2
99.00877	27.7
101.02428	2.0
109.02973	1.1
111.00833	1.0
112.67118	0.6
113.02424	0.9
114.93396	1.1
116.92898	1.3
123.00842	0.8
123.03104	0.6
124.13131	0.6
129.01921	3.3
141.01932	8.1
147.02995	5.7
185.00908	99.2
186.01260	1.5
191.01979	15.3
209.03070	1.2
275.91348	0.6
393.33081	0.6
413.21780	10.8
581.18512	2.0
599.23346	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01377	21.8
61.98819	2.2
69.06837	2.9
69.07243	1.5
71.01377	3.4
72.99303	0.7
73.02947	4.6
75.00899	0.8
83.01401	3.8
83.05017	0.7
85.02947	8.1
87.00881	1.9
89.02444	1.8
93.03479	2.0
96.96007	1.7
97.02947	1.3
99.04517	0.9
101.02450	2.7
104.44342	0.6
108.02176	1.5
109.02965	0.9
113.02423	1.9
119.08674	1.2
121.02959	1.9
122.03734	8.1
123.04512	1.9
125.02457	0.9
125.06074	1.2
135.04543	1.0
135.08174	1.4
136.01671	0.8
137.06140	0.7
137.09753	4.1
141.05595	1.4
147.02994	1.4
148.91901	0.6
149.02513	0.8
150.03226	54.5
151.04050	4.0
161.09744	3.8
163.07643	5.2
165.05563	100.0
166.05978	1.4
173.04535	0.6
177.09244	0.8
179.10753	2.7
181.08681	6.1
183.57181	0.7
191.01949	5.1
191.05644	0.9
197.11858	2.2
199.06042	0.7
203.10745	1.5
209.02904	0.7
213.07607	4.4
223.09714	5.5
241.10811	4.2
247.09700	1.4
265.10767	3.1
283.11932	0.9
307.11868	1.5
325.12970	1.4
385.15118	5.8
581.21887	1.8
599.23474	66.5
600.23987	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.255
Annotation	Ilicifolioside B
Peak:m/z	Relative Intensity
55.01881	3.8
57.03443	4.1
58.00603	0.7
59.01377	57.7
60.01721	0.4
61.98828	1.9
68.99827	0.5
69.03458	1.9
70.65418	0.6
71.01379	80.8
71.05019	1.5
72.01713	0.9
72.99306	1.6
73.02943	22.4
75.00877	1.2
81.03473	1.3
83.01384	11.2
85.02948	32.4
86.00089	0.5
87.00871	4.1
89.02441	29.2
90.02799	0.5
95.01387	6.1
96.96018	0.8
97.02946	6.4
99.00876	9.1
99.04527	0.5
101.02442	52.0
111.00872	1.1
113.02449	31.6
116.92885	0.6
119.03496	6.8
125.02448	14.2
129.01962	1.5
131.03508	5.5
132.03926	0.4
139.04053	0.4
143.03468	3.2
143.10762	4.5
149.02538	0.5
149.04561	4.2
152.01181	1.1
159.02986	4.5
161.04559	23.7
167.03500	2.4
173.04506	0.4
179.05669	3.3
191.03903	0.4
191.05659	1.0
201.11334	1.9
221.06641	4.0
227.12802	0.4
233.06609	0.7
248.52156	0.4
274.07837	0.4
275.07736	0.6
287.15005	0.6
293.08820	3.1
305.16037	53.6
306.16489	1.8
437.20248	64.5
438.20837	2.8
467.21304	39.4
468.21786	3.0
563.19598	0.7
599.25549	100.0
600.25873	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00401	4.8
61.98828	13.2
64.84231	4.4
69.75802	11.0
69.76197	9.4
78.95898	13.2
82.95412	7.1
84.00892	14.9
84.95120	45.4
85.00435	100.0
121.41055	4.9
152.99600	8.5
164.78979	4.6
178.45818	4.6
190.70880	4.3
222.39505	4.3
281.23895	6.5
334.16208	5.5
400.64780	4.9
437.48804	6.0
469.07220	6.1
497.14511	7.1
549.46698	4.8
599.21033	39.8
599.30292	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94439	3.5
58.96608	3.8
59.01363	4.4
60.03578	3.6
61.98819	8.2
69.78080	16.5
72.27920	3.9
83.01382	7.4
83.05038	4.7
92.68646	3.8
97.06570	5.6
97.76698	3.8
98.22591	6.4
109.06619	4.8
125.09700	18.2
135.04524	23.8
135.08130	7.4
137.09694	10.3
137.14725	4.5
147.57913	4.1
158.48512	3.8
163.11279	15.8
165.12787	14.5
179.03496	28.4
185.11797	12.8
191.14397	22.1
207.10213	6.8
209.11823	84.9
243.17139	4.2
245.19127	26.5
247.20633	5.8
263.20560	4.4
289.18118	100.0
291.19675	42.0
307.08325	7.3
307.19138	94.9
433.11865	4.4
530.27319	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
59.01378	4.5
66.94128	2.0
71.43805	2.3
78.95900	5.8
96.69479	2.4
97.02952	2.8
104.37206	2.5
105.66338	2.5
111.08142	2.3
123.08103	2.1
125.09718	6.1
135.08124	3.6
137.09723	4.2
141.05592	3.5
141.09250	2.7
152.99556	2.9
153.09225	9.4
163.11284	5.9
165.12866	24.2
171.10272	14.3
173.49690	2.6
185.11827	8.5
191.14442	7.0
197.11838	3.2
207.10361	4.4
209.11815	7.4
225.11298	4.3
245.19116	24.5
247.20609	10.2
271.17014	3.0
273.18567	6.6
289.18103	94.2
291.19690	55.8
307.19138	100.0
308.19559	4.2
309.20578	3.9
325.20148	29.9
561.52478	2.7
563.37360	4.7
581.38593	4.8
599.39722	6.3
600.42084	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.2
62.50555	1.0
68.49690	1.0
70.97761	1.7
86.96160	1.0
119.11095	1.0
123.53545	1.1
148.76425	0.9
151.92076	1.0
184.83221	1.3
219.20879	1.2
247.04070	2.4
248.08351	2.0
249.09048	2.1
260.04831	1.7
261.05460	2.9
262.06113	2.5
273.05600	3.2
275.03531	6.8
275.06134	1.4
276.04153	4.5
277.05127	2.1
277.08521	2.2
289.05072	14.0
290.05804	13.9
291.06598	5.8
292.07108	2.3
304.03717	10.4
304.07413	5.7
305.04361	7.2
305.07977	4.3
306.08804	1.3
308.06927	1.5
319.06107	26.5
320.06686	10.0
321.07092	1.3
334.08292	4.2
335.08789	1.4
345.01563	1.1
364.05862	8.3
365.05783	1.5
366.07425	4.1
367.07623	1.2
379.08191	100.0
380.08533	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67527	0.9
59.01377	100.0
63.72449	0.8
69.84433	2.2
69.84760	0.9
73.02945	1.5
86.51122	0.7
91.87108	0.8
115.02509	7.4
116.02573	1.1
117.00445	6.4
132.98244	1.2
156.99809	1.2
157.03564	2.5
159.01489	75.8
160.01544	2.4
174.99225	16.1
176.98091	18.6
187.00955	0.9
201.02527	26.6
217.00298	46.9
222.58511	0.9
232.98459	0.9
259.01620	3.4
274.99438	3.2
301.02646	48.4
302.02750	2.6
317.00385	37.1
332.98380	1.8
359.01492	18.5
374.99258	2.4
459.01630	14.5
541.00629	33.7
542.00623	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82080	0.4
59.01376	3.2
60.99305	15.3
71.01369	1.3
73.02945	0.5
76.43018	0.5
85.00420	0.5
85.02966	1.0
87.00868	2.1
88.98802	100.0
89.02440	38.3
96.56489	0.5
101.02452	1.0
113.02463	1.0
123.04531	1.1
133.02928	1.3
151.04018	1.7
160.87320	0.5
220.93192	0.7
255.76331	0.6
270.79922	0.5
290.05780	0.9
304.03833	0.7
305.04889	0.5
319.06143	1.6
334.08398	0.6
379.08167	7.7
380.08344	0.6
453.60352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61190	0.4
54.67110	0.3
56.12567	0.3
59.01379	12.7
61.98836	0.9
67.82362	0.4
69.12091	1.8
71.01361	0.5
98.21895	1.0
102.43343	0.4
116.92868	1.2
150.03207	1.2
150.58160	0.4
165.05548	1.1
180.39664	0.4
195.06619	1.1
219.04694	0.4
240.69136	0.5
247.03954	2.3
248.08461	1.6
249.05659	0.9
249.09171	2.2
258.03180	0.8
260.04752	1.7
261.05478	2.5
262.06256	1.3
263.06967	0.6
267.68918	0.5
273.05548	2.6
274.06348	0.8
275.03513	4.7
275.06906	0.7
276.04254	2.9
276.07483	0.8
277.05072	7.6
277.08493	1.1
288.04080	0.6
289.05063	10.0
290.05850	10.0
291.06631	3.8
292.07330	1.1
302.05792	0.7
304.03793	8.9
304.07458	4.5
305.04562	14.5
305.08185	2.9
306.04785	0.5
306.08255	0.4
308.06897	0.8
319.06104	23.1
320.06854	11.2
334.08517	3.4
335.09235	3.7
352.05826	0.5
364.05878	5.3
366.07623	3.1
379.08215	100.0
380.08505	4.4
405.19107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01701	0.4
61.98827	1.8
69.23407	1.5
71.01363	0.3
85.02972	0.3
95.08768	0.3
96.96014	3.0
114.93403	0.4
116.92842	0.4
192.74084	0.2
221.06029	0.3
233.06023	0.4
234.06841	0.5
235.03900	0.3
248.04752	1.0
249.05615	1.5
253.04970	0.2
263.03485	0.5
265.05276	0.3
275.03403	0.4
276.04291	0.5
277.05060	2.3
278.05942	0.6
291.03265	0.5
291.06656	1.3
292.03815	1.1
292.07379	0.8
293.04553	0.7
293.08109	0.6
305.04529	0.7
306.05338	1.0
307.05984	0.5
320.03226	1.0
320.06805	0.5
321.04065	1.2
321.07639	0.8
334.04800	0.4
335.05612	4.1
336.06189	1.5
349.03412	1.2
350.07922	3.8
351.08694	2.6
363.04935	0.7
364.05875	0.5
379.08206	39.4
380.08450	1.6
469.39642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64561	0.8
59.01375	100.0
60.99289	2.3
62.82080	0.8
69.03452	1.1
69.24317	4.0
71.01373	20.2
73.02941	53.9
75.00873	1.5
83.01378	13.5
85.02952	3.6
87.00864	1.4
88.98796	11.1
89.02445	8.2
95.01442	0.9
97.02982	1.2
99.00836	1.0
101.02435	33.1
107.91112	0.8
113.02446	7.0
119.03491	1.9
125.02441	2.5
129.03458	1.9
131.03465	2.1
143.03487	3.1
149.04549	2.9
161.04553	6.8
166.15080	0.9
203.05606	1.0
221.06689	1.0
233.08253	1.0
250.59773	0.9
255.10231	5.5
257.08157	6.7
279.06738	0.9
299.09229	16.6
305.17606	0.9
321.07660	2.6
335.05545	1.2
337.07111	8.8
341.10184	1.0
365.06250	1.1
379.08176	3.0
401.12390	9.0
461.14447	10.9
521.16705	2.3
541.13531	17.7
542.13776	1.0
601.12341	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63207	0.5
54.48647	0.5
55.01867	0.5
57.03445	3.3
59.01069	1.0
59.01377	16.7
61.98829	1.0
71.01375	4.7
73.02941	1.9
76.26011	0.5
84.93867	1.1
85.02951	5.6
87.00876	0.7
88.83375	0.5
88.98817	0.6
89.02462	1.9
96.96004	3.3
98.95573	1.5
99.00910	0.7
99.04514	2.9
99.92586	16.5
100.93365	13.0
101.02463	3.4
103.00363	1.0
110.47629	0.6
111.00867	0.7
113.02446	2.4
115.92079	22.5
116.92861	100.0
117.92868	2.0
119.03498	1.2
125.02454	2.3
126.94879	0.7
129.01921	0.9
142.94438	1.3
143.03534	0.6
158.93936	1.0
161.04503	0.8
169.93187	0.6
182.91400	0.5
184.91818	2.1
187.11247	1.3
191.01938	1.0
192.02460	0.6
193.02426	0.5
205.12366	1.2
259.96204	0.8
265.43762	0.5
270.21838	0.5
397.22223	0.7
438.24899	0.6
479.13638	3.7
497.14966	3.9
515.15955	3.0
521.14874	2.3
539.15778	2.3
541.26477	1.5
557.17108	6.1
559.27795	1.8
565.13916	1.8
601.15906	15.2
601.25067	0.5
601.30298	0.7
602.16296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.0
59.01381	26.4
61.98827	2.3
68.40448	0.6
71.01385	6.7
72.83312	0.7
72.99321	1.2
73.02948	2.9
76.69265	0.6
83.01389	1.0
84.93847	1.6
85.02948	7.8
86.03264	1.0
87.00886	1.1
89.02451	3.3
96.96020	3.5
98.95583	1.5
99.00878	0.7
99.04523	7.5
99.92586	17.5
100.93369	11.9
101.02454	5.6
103.00371	1.0
113.02461	4.1
115.92081	22.9
116.92864	100.0
117.92901	2.1
119.03521	0.9
125.02445	2.4
126.91321	0.6
129.01938	0.9
142.94452	2.1
143.03479	0.8
147.03012	0.8
147.06639	0.7
150.80190	0.7
156.92340	1.0
158.93910	0.8
161.04576	1.4
179.05650	0.9
184.91846	2.4
185.96278	0.9
187.11295	0.9
191.01930	2.3
193.02449	0.9
199.55016	0.7
205.12303	1.6
224.94928	0.8
247.44890	0.7
283.78757	0.7
379.07669	0.7
397.22437	1.7
439.23984	0.7
479.13818	3.6
481.15305	0.8
497.14633	2.9
515.16010	2.3
521.14990	1.8
539.16125	1.9
541.26678	1.8
543.37244	0.8
557.16980	5.7
559.27521	1.0
565.13965	1.2
601.15924	13.8
601.28839	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63207	0.5
54.48647	0.5
55.01867	0.5
57.03445	3.3
59.01069	1.0
59.01377	16.7
61.98829	1.0
71.01375	4.7
73.02941	1.9
76.26011	0.5
84.93867	1.1
85.02951	5.6
87.00876	0.7
88.83375	0.5
88.98817	0.6
89.02462	1.9
96.96004	3.3
98.95573	1.5
99.00910	0.7
99.04514	2.9
99.92586	16.5
100.93365	13.0
101.02463	3.4
103.00363	1.0
110.47629	0.6
111.00867	0.7
113.02446	2.4
115.92079	22.5
116.92861	100.0
117.92868	2.0
119.03498	1.2
125.02454	2.3
126.94879	0.7
129.01921	0.9
142.94438	1.3
143.03534	0.6
158.93936	1.0
161.04503	0.8
169.93187	0.6
182.91400	0.5
184.91818	2.1
187.11247	1.3
191.01938	1.0
192.02460	0.6
193.02426	0.5
205.12366	1.2
259.96204	0.8
265.43762	0.5
270.21838	0.5
397.22223	0.7
438.24899	0.6
479.13638	3.7
497.14966	3.9
515.15955	3.0
521.14874	2.3
539.15778	2.3
541.26477	1.5
557.17108	6.1
559.27795	1.8
565.13916	1.8
601.15906	15.2
601.25067	0.5
601.30298	0.7
602.16296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63207	0.5
54.48647	0.5
55.01867	0.5
57.03445	3.3
59.01069	1.0
59.01377	16.7
61.98829	1.0
71.01375	4.7
73.02941	1.9
76.26011	0.5
84.93867	1.1
85.02951	5.6
87.00876	0.7
88.83375	0.5
88.98817	0.6
89.02462	1.9
96.96004	3.3
98.95573	1.5
99.00910	0.7
99.04514	2.9
99.92586	16.5
100.93365	13.0
101.02463	3.4
103.00363	1.0
110.47629	0.6
111.00867	0.7
113.02446	2.4
115.92079	22.5
116.92861	100.0
117.92868	2.0
119.03498	1.2
125.02454	2.3
126.94879	0.7
129.01921	0.9
142.94438	1.3
143.03534	0.6
158.93936	1.0
161.04503	0.8
169.93187	0.6
182.91400	0.5
184.91818	2.1
187.11247	1.3
191.01938	1.0
192.02460	0.6
193.02426	0.5
205.12366	1.2
259.96204	0.8
265.43762	0.5
270.21838	0.5
397.22223	0.7
438.24899	0.6
479.13638	3.7
497.14966	3.9
515.15955	3.0
521.14874	2.3
539.15778	2.3
541.26477	1.5
557.17108	6.1
559.27795	1.8
565.13916	1.8
601.15906	15.2
601.25067	0.5
601.30298	0.7
602.16296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2866
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
57.03453	5.0
59.01378	100.0
61.98826	2.7
69.03442	2.3
69.24049	10.4
71.01378	32.1
72.01766	2.4
72.58487	2.1
72.99319	2.4
73.02950	21.8
75.00881	2.5
81.03430	2.5
82.95374	3.1
83.01385	7.1
83.05032	4.0
85.02947	29.9
87.00890	4.0
88.98794	3.4
89.02445	18.8
95.01398	3.8
96.96008	3.2
97.02949	2.7
97.59502	2.0
99.00885	4.8
99.92596	8.8
100.93383	7.7
101.02443	28.9
109.02998	2.3
113.02448	23.7
115.92059	14.4
116.92856	56.7
119.03499	8.6
128.98203	2.3
142.94397	1.8
143.03485	5.2
145.19284	2.3
147.02911	2.7
149.04546	2.8
152.01152	4.0
159.02966	2.0
161.04572	15.4
165.05486	2.4
167.03543	2.7
169.19142	2.1
175.51749	2.1
179.05583	4.2
185.35220	2.0
191.01971	3.5
205.12447	2.8
217.07111	4.9
224.70979	2.2
227.82069	2.2
235.08194	13.6
243.17468	4.3
254.21381	2.2
261.18597	7.3
335.22299	2.8
345.23523	2.1
353.23071	3.9
408.73795	2.4
415.22827	3.2
479.13828	7.0
479.26453	3.5
497.27557	59.6
498.27881	3.2
515.28436	22.4
516.30115	2.2
541.26721	8.5
557.16724	2.9
557.29572	13.4
559.27319	7.4
601.15839	9.6
601.28949	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16732	2.5
59.35603	2.5
70.92056	2.8
100.97167	2.7
101.00053	2.9
111.08143	4.0
141.29684	2.7
153.15388	2.9
176.43346	2.7
181.12375	3.7
197.11841	15.4
209.15535	3.7
233.43596	3.0
273.18417	3.8
291.19653	29.9
295.08609	2.9
307.19147	3.2
309.20700	100.0
372.94705	3.3
583.39886	6.4
601.40967	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98516	3.2
70.97852	5.4
71.94472	3.0
82.97086	3.8
96.96012	4.6
109.06597	4.2
113.05535	3.3
116.67619	3.5
123.08142	4.0
125.09695	4.9
135.08133	5.3
140.43347	3.3
146.64780	3.5
153.09167	9.9
163.11247	8.5
167.01054	3.9
171.10236	15.7
185.02213	4.0
185.11746	10.2
191.14412	9.2
195.13924	6.1
197.11798	5.4
209.11879	7.5
211.13399	3.6
223.13306	7.1
235.16858	3.5
245.19077	17.2
275.20020	6.9
289.14893	6.0
289.18057	74.6
291.19672	18.9
293.21204	56.0
307.19135	100.0
309.20734	27.8
313.27188	3.3
324.19333	6.0
325.20135	32.8
340.85309	3.6
565.38055	4.6
583.39691	11.8
601.40875	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87247	6.1
59.01378	100.0
61.98808	10.0
64.94025	5.7
66.37042	5.8
69.67693	5.0
70.33575	5.7
70.68097	5.4
71.01380	59.5
71.41706	6.3
84.11255	6.4
85.02958	14.4
87.00867	7.7
89.02443	35.9
99.04510	7.0
101.02449	37.0
113.02456	29.1
119.03518	17.2
143.39876	6.1
161.04567	8.9
165.12791	6.8
172.18343	5.9
179.05659	12.1
196.98515	6.0
264.07599	7.4
312.94058	5.9
317.10104	6.0
323.09103	11.8
324.09799	15.4
337.07059	7.6
351.08478	6.2
351.95355	6.6
352.09018	8.0
396.08432	10.4
397.09018	10.4
499.12439	90.4
555.13263	6.2
555.48956	6.8
602.16180	23.6
602.35736	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.7
59.01380	31.8
61.98831	9.9
71.01379	18.5
72.99302	1.2
73.02941	2.3
83.01360	1.8
85.02943	5.0
87.00806	1.4
88.96017	1.1
89.02437	12.2
95.01369	1.9
98.03692	1.1
101.02443	9.4
110.63857	1.3
113.02416	6.7
119.03495	4.1
136.41092	1.2
151.03969	1.4
161.04539	1.2
167.14404	9.9
209.11816	1.6
211.13431	12.6
227.13161	1.2
229.14435	10.6
254.17599	2.6
272.18701	14.4
281.21231	2.6
325.20172	2.9
417.06308	1.3
434.24023	12.1
602.35425	100.0
603.28607	2.6
603.35901	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33123	0.3
57.03438	0.5
59.01379	14.4
60.01717	0.3
61.98826	2.0
69.03449	0.3
69.11578	1.6
71.01382	4.8
72.99319	0.5
73.02952	1.4
75.00874	1.2
83.01396	0.5
84.93882	1.1
85.02952	2.5
87.00871	0.4
89.02444	1.8
89.11697	0.4
95.01383	0.5
96.95995	2.8
98.21891	0.8
98.95580	1.6
99.00885	1.0
99.92577	13.6
100.92655	0.7
100.93364	13.1
101.02438	3.0
103.00377	0.4
111.00861	0.6
113.02446	2.4
115.92076	14.9
116.92859	100.0
117.92859	2.4
117.93634	0.7
119.03508	0.9
125.02445	0.5
129.01860	0.5
140.92818	0.8
141.93620	0.7
142.13171	0.3
142.94403	1.3
143.03519	0.6
156.92328	0.8
158.93971	0.7
159.03000	0.5
161.04581	0.9
170.93861	0.4
184.91830	2.8
232.53639	0.3
253.05377	0.6
259.96231	0.4
305.11853	0.5
321.11572	1.2
334.48019	0.4
379.08032	0.7
381.08792	0.7
389.30759	0.3
399.24045	0.7
413.09338	0.5
428.11575	0.4
463.14175	0.6
470.12772	0.4
481.15244	2.3
482.16202	0.5
483.16907	0.6
499.16211	1.0
517.17340	2.5
523.16376	1.9
541.17383	0.6
543.28125	6.5
559.18665	7.1
560.18237	0.5
561.29047	5.3
603.17456	25.9
604.17828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50737	0.4
54.04851	0.4
54.46560	0.5
59.01376	7.6
61.62282	0.4
71.01382	2.6
72.99303	0.6
73.02937	1.0
84.93874	1.9
85.02933	1.1
89.02453	1.3
95.01311	0.4
96.96005	3.0
98.95579	2.0
98.96364	0.4
99.00896	0.5
99.92583	13.5
100.93361	16.8
101.02435	1.7
101.30051	0.4
103.00369	0.8
113.02459	1.8
115.92076	19.6
116.92860	100.0
117.92885	2.8
119.03496	0.6
120.50013	0.4
125.02415	0.6
126.94933	0.7
128.92857	0.5
135.04529	0.5
136.60762	0.4
140.92841	1.0
141.93654	1.0
142.94403	1.7
154.50291	0.4
154.94328	0.6
156.92427	0.5
158.93915	0.7
161.04576	0.5
167.95193	0.4
170.93913	0.8
183.94792	0.4
184.91818	1.8
184.95410	0.7
196.95500	0.7
214.15712	0.4
241.02139	0.4
259.96240	1.0
279.06885	0.5
301.97427	0.5
317.48325	0.4
321.11670	1.6
336.41742	0.4
368.11923	0.5
373.82336	0.5
437.08881	1.0
441.11957	1.0
463.13864	0.9
481.15363	2.7
482.25125	0.5
509.11136	1.4
517.17346	3.2
523.16577	2.8
543.27728	0.9
559.18463	8.3
560.18280	0.6
561.29059	0.8
603.17456	24.7
604.17560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01382	100.0
60.01723	0.7
68.41212	0.4
69.03463	0.9
70.21320	0.4
71.01385	23.2
72.99301	0.7
73.02949	8.7
81.03474	0.4
83.01398	0.7
85.02957	2.4
87.00954	0.5
89.02450	37.7
93.07112	0.5
96.96037	1.8
97.02958	1.6
99.00885	12.8
99.01527	0.8
101.02447	15.2
101.03092	0.8
102.18430	0.5
105.07156	0.4
111.00949	0.5
113.02477	2.8
115.04063	0.5
117.93924	0.4
119.03532	1.2
120.05840	0.7
122.06161	0.5
125.02457	7.5
131.03496	5.7
134.52557	0.4
143.03529	0.8
149.04559	21.8
150.06947	0.8
157.06671	0.5
159.08186	1.0
159.11803	0.6
160.43613	0.4
161.04596	1.0
161.13368	9.3
162.13751	0.4
165.05696	0.4
185.13512	0.6
187.11284	13.4
191.05614	4.5
201.10347	0.5
205.12341	30.7
206.12737	1.0
221.06721	1.6
223.13481	1.9
229.12265	2.6
231.10274	0.5
233.06712	2.3
247.11046	0.6
247.13521	1.5
249.11311	6.9
251.07854	1.2
259.13547	0.5
265.14438	4.9
265.16541	0.4
267.12415	0.7
267.90778	0.4
275.07947	1.2
291.12640	1.1
293.08759	6.2
309.13446	29.8
310.13882	1.1
311.09824	1.7
326.11697	0.6
341.13992	0.9
367.90225	0.5
499.29651	0.5
513.19604	0.5
525.12482	0.4
529.63885	0.5
543.20856	2.7
571.21838	0.7
603.23236	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.3
57.03446	3.1
58.00591	0.5
59.01381	100.0
63.97468	0.4
66.56682	0.4
69.03473	0.6
71.01384	49.6
71.53141	0.4
72.99335	1.6
73.02949	11.9
75.00895	0.7
83.01387	6.4
85.02953	24.5
86.00095	0.7
87.00870	2.6
89.02446	17.7
89.63242	0.5
95.01399	5.6
97.02972	2.0
99.00874	5.6
99.92573	0.6
101.02446	29.7
111.00902	1.9
112.01697	1.4
113.02457	28.1
115.04053	0.7
115.92042	0.8
116.92867	4.7
117.92858	1.1
118.92641	0.7
119.03502	7.4
124.01669	1.9
125.02467	3.6
125.28671	0.5
129.01973	1.9
131.03465	0.9
141.01938	0.6
143.03535	6.0
159.02998	2.2
161.04559	11.3
179.05647	2.6
179.58667	0.6
182.99980	0.5
190.78094	0.4
301.22034	0.5
379.32083	0.5
381.22891	4.7
399.23871	9.8
400.24411	0.6
441.24649	0.8
469.24268	1.1
504.44095	0.5
507.26022	1.9
513.27014	0.7
543.28125	83.7
544.28455	4.8
561.29132	70.5
562.29596	5.5
603.16809	1.2
603.30353	5.1
603.45575	0.5
604.31049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37556	0.7
60.99306	6.5
71.49866	0.7
87.00869	2.7
88.00403	1.4
88.98805	34.6
89.02444	100.0
115.82778	0.6
120.56930	0.6
142.34769	0.7
146.97075	0.7
168.18970	0.7
175.56163	0.8
221.66782	0.7
235.78751	0.8
357.14047	0.8
603.19635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.3
61.98808	5.5
69.08443	18.4
69.08865	15.5
71.86191	5.0
85.02962	7.5
87.74496	5.2
89.02414	6.4
101.02408	10.3
110.40145	6.1
110.93263	4.9
113.02370	5.2
125.34794	5.5
163.11337	8.3
185.11647	6.9
185.64503	5.8
191.14375	9.7
203.05278	5.2
209.11787	16.9
222.35771	5.7
245.19099	10.3
253.09218	44.9
263.20203	7.9
267.94839	5.7
289.18088	86.3
307.19116	100.0
383.58896	6.6
560.26355	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	10.6
61.98813	1.2
71.01376	1.0
87.00896	2.7
88.00407	1.4
88.98806	55.9
89.02444	100.0
96.96009	3.3
103.92032	1.1
106.25105	0.7
114.53948	0.9
138.72972	0.8
148.90999	1.4
247.14543	0.8
312.32123	0.7
441.95413	1.2
449.09344	0.8
603.20154	1.9
604.19379	1.2
606.86432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39563	0.3
60.99309	4.5
65.43046	0.3
65.75852	0.4
67.13847	0.4
71.01330	0.5
71.45106	0.3
72.18823	0.3
85.07848	0.4
87.00866	2.3
88.00423	0.6
88.01213	0.4
88.98803	28.6
89.02441	100.0
90.02783	0.4
277.21634	0.7
377.58698	0.4
401.68668	0.3
452.90063	0.5
603.20648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00293	9.7
53.75628	13.0
70.54863	19.6
85.27470	11.3
152.63538	10.9
155.85599	12.8
169.82712	10.4
219.01285	11.2
220.14731	52.9
221.15450	100.0
236.10542	69.8
293.17679	59.2
309.20459	11.1
546.54657	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01535	4.8
69.46856	22.4
83.04997	6.8
114.06868	4.7
114.37559	4.8
121.10188	5.9
137.09723	11.8
155.10756	10.6
156.14920	6.4
171.10213	30.4
209.11728	7.5
275.20197	30.9
291.19653	23.9
293.21210	40.3
309.20703	100.0
310.21130	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50856	0.1
56.23663	0.2
56.30863	0.2
59.01381	2.4
60.01688	0.2
61.98831	100.0
69.30882	0.8
70.56932	0.2
71.01377	0.2
101.02443	0.3
123.70741	0.1
172.09793	0.2
283.06491	0.2
291.36539	0.2
299.57761	0.2
305.04309	0.2
321.07022	0.2
340.37219	0.2
379.08389	0.3
380.08560	0.4
381.08981	0.4
382.09293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74117	0.2
57.45096	0.3
58.74445	0.3
59.01375	9.0
59.66655	0.3
60.01704	0.9
61.01807	0.5
61.98827	100.0
65.75448	0.3
69.13079	0.5
69.13480	1.5
71.01389	0.8
73.02901	0.3
73.22897	0.3
77.22614	0.2
85.02953	0.3
89.02437	0.5
99.92582	0.5
100.93424	0.3
101.02464	0.4
111.00834	0.3
113.02401	0.5
115.92088	0.5
116.92863	2.2
117.92902	0.9
121.58992	0.3
149.02458	0.6
184.91730	0.3
224.24796	0.3
320.31979	0.3
379.07953	0.5
380.08530	1.0
381.08896	1.2
382.09152	1.0
543.27631	0.3
544.27936	0.4
561.29309	0.4
604.17767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98826	8.9
69.97030	2.6
71.01373	1.1
82.95407	3.2
88.29169	0.9
88.98804	0.9
89.02450	1.2
114.05624	2.0
153.39108	0.9
163.00397	5.7
175.00439	2.1
181.05064	1.8
185.52962	0.9
193.04948	1.4
211.04008	2.0
211.05998	1.2
227.03525	2.7
230.14413	1.0
239.03461	2.6
240.04311	2.7
254.02249	1.2
255.02951	10.8
256.03772	2.8
267.03012	3.1
269.04523	2.8
283.02475	24.8
283.05661	1.5
284.03125	6.0
297.03989	1.3
298.04800	16.3
299.02261	1.5
299.05542	5.5
311.01935	8.4
312.02789	4.3
314.04135	1.9
315.05170	1.5
326.04312	25.9
327.05035	23.6
405.15552	1.6
406.15668	1.9
477.10294	3.2
489.10394	100.0
490.10675	5.5
604.16620	4.2
627.24860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16786	28.6
56.66138	23.9
59.50167	24.1
81.98673	26.3
82.37420	24.3
88.51473	21.3
92.57335	24.6
130.08734	61.8
144.46333	23.5
146.56810	29.3
294.71234	29.1
325.06619	25.2
368.54410	27.9
426.37781	30.2
442.56815	25.2
504.77081	26.0
568.43585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.6
61.98832	1.7
69.03439	1.9
71.01386	2.4
71.44722	1.0
82.95417	16.3
83.92651	1.0
84.95171	1.0
85.02938	2.2
88.98807	6.8
89.02427	3.0
93.03454	1.1
96.96025	2.9
101.02461	2.4
103.01454	1.6
112.79244	1.1
113.02440	1.2
118.85383	1.2
121.02962	5.3
123.04570	1.4
129.70322	1.0
135.04504	1.0
139.58487	0.9
145.03003	1.7
161.02449	1.6
163.04044	1.4
175.04025	6.7
181.69093	0.9
185.00920	1.6
190.06342	5.0
203.07161	2.1
209.76172	1.0
222.05418	2.4
223.07649	1.1
230.32884	1.1
233.06212	0.9
235.07646	2.6
239.07021	1.3
241.08760	2.8
249.05611	1.3
251.07124	3.2
253.08675	3.3
260.22537	1.1
261.05576	1.2
263.07025	4.8
267.06598	3.9
268.07507	1.1
269.08154	6.1
279.06583	5.2
281.08188	12.6
282.08862	1.4
283.09763	3.4
291.06671	3.8
292.07281	1.3
293.08139	3.3
294.08978	6.2
295.09683	2.0
296.07080	1.3
296.10471	2.5
297.07706	32.4
297.10831	1.6
298.08237	1.8
307.09518	1.8
308.10400	2.8
309.07666	41.7
309.11301	11.3
310.08173	2.7
311.09299	1.4
312.10013	28.7
313.10287	1.6
323.09302	3.4
324.10007	27.1
327.12378	100.0
328.12869	4.6
339.12350	80.7
340.12756	2.6
357.13483	1.3
375.76001	1.1
382.71283	1.0
545.19720	2.3
605.14526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54617	0.6
55.01886	0.9
57.03447	3.5
59.01378	42.5
61.98829	6.8
62.72212	0.7
71.01383	22.4
73.02942	10.3
75.00872	7.4
76.51334	0.7
83.01386	6.7
83.05059	1.0
85.02950	11.3
87.00871	2.8
89.02430	4.8
93.03474	0.8
95.01377	2.1
95.05029	0.7
96.96040	0.8
97.02929	1.9
99.00903	2.4
101.02438	14.8
106.04222	0.7
107.05036	2.3
111.00881	2.3
113.02435	9.5
116.92835	1.6
119.03549	1.3
120.05824	0.8
121.02918	1.0
125.02434	2.2
132.06664	2.3
133.02950	2.8
134.03737	58.6
135.04344	1.4
137.02449	6.7
139.03990	1.7
143.03502	2.1
149.06078	13.6
159.02963	1.5
161.04539	3.9
161.09686	3.5
161.13374	1.6
178.02701	33.5
179.03459	2.0
187.11279	7.3
189.09207	4.9
193.05051	100.0
194.05383	2.2
203.10805	1.6
205.12344	2.5
207.10275	1.9
223.13408	3.0
231.10187	2.6
247.13054	0.7
249.11241	3.9
267.12360	2.3
273.11252	0.8
283.01459	0.7
291.12430	2.3
309.13516	0.8
333.13342	2.6
341.24875	0.8
351.14175	1.2
355.10263	4.9
383.24356	2.3
401.25421	4.6
411.16611	14.4
412.16714	1.1
458.80722	0.7
501.30499	0.9
523.18518	0.8
543.63922	0.8
545.29639	38.3
546.30096	1.5
563.30713	29.7
564.30829	1.1
605.22296	26.9
605.31384	2.8
606.22247	2.1
613.20135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09204	1.4
60.99309	14.9
71.01396	2.2
78.95911	5.7
80.58784	1.5
80.96502	2.4
85.00410	3.0
87.00861	2.8
88.98804	100.0
89.02443	94.3
93.63256	2.1
96.96010	13.4
125.87318	8.2
152.99567	1.8
156.54662	1.8
169.63387	1.6
200.88116	3.6
204.83165	6.5
219.85559	5.5
236.84550	1.6
242.89305	2.7
249.86574	4.7
309.00006	1.8
570.10010	25.5
605.20764	2.4
605.30444	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
57.03442	2.1
58.19179	1.1
59.01379	74.8
61.98829	100.0
62.89398	1.1
62.98540	1.4
69.03436	1.5
69.14365	5.8
69.14767	2.5
71.01382	36.8
72.99305	2.3
73.02943	21.8
83.01394	8.7
85.02946	21.1
87.00878	4.4
87.04531	1.9
89.02441	15.5
95.01379	2.9
97.02941	1.7
98.21849	1.9
99.00877	4.5
101.02447	43.4
103.04024	7.9
113.02449	12.0
115.04000	4.7
118.90427	1.1
119.03488	5.9
119.78706	1.2
125.02466	3.2
131.03481	5.4
134.03751	2.7
143.03506	8.0
145.05064	3.2
159.02985	1.8
161.04536	5.5
163.06119	33.2
178.02632	1.6
186.48192	1.2
193.05028	5.4
203.98816	1.2
204.84618	1.4
205.07162	15.9
247.08253	4.7
249.32307	1.5
265.09210	2.1
273.78027	1.3
283.57037	1.2
328.73914	1.2
399.23825	30.3
400.24170	1.4
401.16248	2.7
443.23044	1.4
479.42758	1.5
497.04938	1.5
501.30750	1.6
517.62262	1.6
545.29663	74.0
546.30066	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62132	4.9
59.01377	28.6
61.98824	8.3
71.01382	7.6
75.58028	4.4
75.92138	4.7
85.02940	4.9
89.02470	8.1
93.03468	11.4
98.21828	6.7
101.02453	10.4
131.40387	5.0
138.03189	6.9
145.03020	5.8
153.05606	9.2
163.11250	5.9
165.12688	4.3
171.10251	7.1
173.04527	19.5
178.09933	4.6
183.39610	4.6
197.11774	9.6
208.24841	5.3
225.14799	5.8
247.20667	5.6
253.09268	38.4
291.19632	38.8
309.20718	100.0
315.05505	4.8
545.29218	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69513	0.3
58.22921	0.3
59.01371	0.6
62.50700	0.3
64.47187	0.4
65.85320	0.3
69.65005	1.2
86.55548	0.3
92.92654	0.3
93.03458	3.9
95.05048	0.7
97.06554	0.4
98.22668	0.4
125.06105	0.7
148.08946	1.5
148.62679	0.3
149.09753	0.4
150.10509	1.2
151.11258	0.7
163.11282	1.3
165.12842	29.9
166.13173	0.5
175.11296	0.5
176.12024	0.9
177.12793	0.6
187.03793	0.4
191.14441	0.9
217.16026	0.7
221.16154	0.3
244.10777	7.2
247.20668	15.3
248.21059	0.8
273.18604	9.1
291.19656	100.0
292.20023	3.7
313.17862	26.4
313.21683	0.5
314.18121	0.9
361.57336	0.4
475.01053	0.3
605.38190	45.8
606.38641	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25988	0.2
59.01372	1.2
59.04808	0.2
61.98830	100.0
62.56048	0.2
71.01384	0.7
73.02934	0.3
85.02938	0.2
89.02459	0.2
101.02451	0.4
107.05072	0.2
116.92882	0.2
176.23845	0.2
193.34879	0.2
264.04462	0.2
278.05960	0.6
279.06760	0.3
292.04007	0.3
292.07535	0.7
293.08212	2.0
294.09076	1.1
307.06317	0.3
307.09592	1.7
313.13770	0.2
336.02856	0.5
351.05066	1.0
366.07382	2.4
366.10907	0.2
381.09799	13.5
382.10416	0.6
400.24173	0.2
543.15082	4.0
543.23053	0.3
563.29645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41238	0.3
61.98829	100.0
62.90584	0.3
69.29997	1.2
69.30407	0.5
73.97038	0.3
78.60476	0.3
91.77592	0.3
98.22599	0.7
121.48711	0.4
142.72386	0.3
152.86069	0.3
607.38660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82539	12.5
59.01372	68.3
61.98838	87.1
69.38741	69.9
71.01376	32.6
73.02969	24.4
80.96509	58.5
85.02950	29.0
98.21828	29.8
103.19224	14.6
106.59199	17.5
147.06648	15.7
225.00723	17.2
248.04033	15.0
256.55954	16.6
360.70609	16.8
552.62299	17.6
557.12805	58.9
607.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93126	7.8
56.22971	8.5
59.01376	22.2
61.47227	8.7
80.96478	12.7
92.94160	7.9
96.96031	10.2
99.66991	7.7
192.51724	10.3
229.31506	8.3
279.06427	9.4
293.08325	14.2
294.09311	9.8
307.06061	13.7
308.10593	24.8
309.11371	23.8
335.09195	25.3
337.10834	100.0
345.51892	11.0
365.10187	87.1
395.07556	25.6
409.09222	69.9
509.68689	10.1
607.24402	39.8
607.33142	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03450	14.4
57.79593	0.4
58.00602	0.4
59.01381	12.0
61.98827	3.7
68.99814	0.4
71.01384	5.6
71.27764	0.5
72.99300	1.0
73.02953	1.1
75.00868	1.7
82.95435	0.4
83.01389	1.9
84.02166	1.9
85.02953	100.0
86.03298	1.0
87.00876	1.4
88.98803	0.8
89.02440	4.2
99.00887	1.6
101.02449	3.0
103.00375	1.7
105.03455	0.5
109.75840	0.4
111.00880	1.2
111.61385	0.4
113.02437	1.0
115.00366	1.1
117.64897	0.5
119.03564	0.5
129.01950	9.6
131.03590	0.7
133.02963	3.0
135.04501	0.7
147.03006	11.7
149.04585	2.9
160.01683	0.4
161.02449	0.7
164.65886	0.4
173.00932	1.5
173.04565	0.5
177.01930	1.5
187.97867	0.4
191.01981	38.8
191.05647	1.5
192.02362	0.8
193.04927	0.4
202.08507	0.4
207.03073	0.8
209.02969	1.8
221.06696	0.4
222.05324	0.9
237.07709	1.0
373.16599	1.3
415.10013	0.4
486.12018	0.4
547.27924	1.6
561.29279	0.5
591.58795	0.4
607.12982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03450	14.4
57.79593	0.4
58.00602	0.4
59.01381	12.0
61.98827	3.7
68.99814	0.4
71.01384	5.6
71.27764	0.5
72.99300	1.0
73.02953	1.1
75.00868	1.7
82.95435	0.4
83.01389	1.9
84.02166	1.9
85.02953	100.0
86.03298	1.0
87.00876	1.4
88.98803	0.8
89.02440	4.2
99.00887	1.6
101.02449	3.0
103.00375	1.7
105.03455	0.5
109.75840	0.4
111.00880	1.2
111.61385	0.4
113.02437	1.0
115.00366	1.1
117.64897	0.5
119.03564	0.5
129.01950	9.6
131.03590	0.7
133.02963	3.0
135.04501	0.7
147.03006	11.7
149.04585	2.9
160.01683	0.4
161.02449	0.7
164.65886	0.4
173.00932	1.5
173.04565	0.5
177.01930	1.5
187.97867	0.4
191.01981	38.8
191.05647	1.5
192.02362	0.8
193.04927	0.4
202.08507	0.4
207.03073	0.8
209.02969	1.8
221.06696	0.4
222.05324	0.9
237.07709	1.0
373.16599	1.3
415.10013	0.4
486.12018	0.4
547.27924	1.6
561.29279	0.5
591.58795	0.4
607.12982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.9
59.51175	1.7
59.61773	1.8
62.96408	1.7
69.39648	1.6
70.27263	4.2
73.46455	1.7
74.21106	1.8
78.95904	100.0
96.96012	3.5
96.96968	3.1
98.95592	3.5
99.92616	10.1
100.93365	15.8
102.02168	1.6
115.92077	25.6
116.92075	2.7
116.92851	23.0
119.21008	1.6
120.96918	1.8
150.98041	4.2
152.99591	28.5
153.32672	1.8
155.95082	2.0
163.89732	5.7
164.90483	6.6
171.00610	5.0
172.95459	4.1
178.88403	9.3
179.48203	1.6
179.89227	23.1
180.90018	20.9
181.90784	8.2
188.46376	1.7
196.89493	35.3
205.90761	7.3
206.91620	3.9
218.91571	2.0
234.90999	2.2
235.91849	8.7
236.92593	18.4
245.04292	4.0
252.92181	2.7
253.92818	4.3
278.93582	2.2
279.23279	7.9
349.13000	1.6
435.18286	3.2
481.25891	3.3
499.15497	8.5
516.15979	6.1
541.16846	2.2
559.17871	3.8
571.18457	9.7
572.11792	5.6
574.19843	1.9
589.18817	6.4
607.19836	74.8
608.19940	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01388	13.5
61.98837	3.1
62.40407	1.8
62.64920	1.3
65.76707	1.4
66.16755	1.7
68.48959	1.6
69.87023	4.6
71.01386	5.5
72.98717	1.4
72.99290	2.0
73.02949	2.3
73.45190	1.5
84.95127	3.4
85.00426	2.6
85.02951	46.7
89.02472	4.6
93.12643	1.5
96.96021	8.0
101.02426	2.0
111.00880	2.4
121.02934	4.8
129.01952	6.2
133.02951	3.2
135.04616	1.9
147.02994	5.6
147.04489	2.4
149.52283	1.7
152.01279	1.6
160.05278	4.1
175.07674	3.5
178.06328	1.7
179.76949	1.5
191.02003	19.7
191.05612	1.7
209.03061	7.3
209.11774	2.4
227.65106	1.7
230.75781	1.5
241.01462	2.4
242.02277	2.4
254.05875	1.9
255.10091	1.8
269.08173	20.6
271.02560	3.1
271.06149	1.7
281.08286	3.4
283.09607	8.6
289.11301	2.5
298.01044	1.9
298.12393	1.8
299.02026	4.9
299.09244	15.6
311.09277	19.5
314.11612	31.9
315.04901	2.2
326.11566	17.3
329.13916	100.0
330.14337	7.4
339.70566	1.7
341.13925	51.2
342.14139	2.9
441.16299	1.9
477.10385	2.9
547.27417	4.5
577.25287	1.6
591.53107	1.7
607.13037	3.6
607.27240	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.9
59.01376	69.4
61.98820	4.6
71.01382	23.7
71.43168	3.6
73.02930	11.3
82.00706	4.2
85.02940	38.9
87.00835	6.6
89.02434	8.7
94.16611	3.5
96.96001	5.9
101.02430	23.5
111.00859	5.0
113.02441	8.6
121.02887	4.4
129.02003	4.1
129.96574	4.6
134.03714	5.0
135.04520	8.5
161.02455	4.8
179.03415	7.2
191.01956	8.9
213.95268	4.9
269.08157	5.6
270.08868	4.8
281.08133	12.8
282.09094	4.2
283.09787	10.5
299.05627	4.4
299.09018	4.3
314.11554	9.9
326.11661	8.0
327.12164	6.2
329.13928	20.2
341.13925	8.8
347.33496	4.3
364.05783	4.6
377.74887	4.3
458.15677	7.7
470.15872	5.7
473.18283	26.9
476.16864	8.8
485.18134	27.6
488.16989	6.6
491.19214	43.8
503.19214	43.2
533.20264	100.0
534.20447	7.5
545.20233	52.6
546.20691	5.9
559.30798	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71933	0.7
59.01358	3.2
61.98817	4.4
67.42133	0.8
69.03439	2.0
71.01368	1.1
71.05009	1.6
71.43493	0.9
74.49154	0.7
76.39864	0.7
78.95911	3.4
79.95728	1.8
80.96505	9.4
85.06617	0.8
94.98066	2.2
95.05020	0.8
97.06543	0.9
100.04105	0.8
109.02963	0.8
117.03442	1.6
121.02893	1.3
152.99576	2.5
161.02348	1.2
167.10733	3.7
173.02422	0.8
179.10791	1.0
179.14400	3.6
189.01881	3.2
195.13878	11.8
205.12286	8.5
218.02275	4.9
223.13374	100.0
224.13724	3.0
225.00804	2.0
241.01111	1.5
241.59976	0.8
259.91211	0.7
279.49860	0.8
291.19687	2.2
325.07150	0.8
353.06613	10.2
365.06543	3.3
383.07672	3.3
521.53510	0.7
607.24530	19.8
607.38495	3.0
608.24170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
54.25306	0.8
58.27985	0.8
59.01357	1.0
61.98823	5.5
63.81591	0.7
63.96225	0.8
67.95015	0.8
70.32939	1.5
71.01379	5.3
71.05019	1.2
73.02932	1.9
78.95904	2.8
78.98580	5.4
79.95730	15.4
80.96513	62.3
85.02937	2.8
87.00871	3.3
94.98083	13.4
96.96023	1.2
97.03001	1.0
101.02427	2.5
106.98086	2.7
111.79701	0.9
122.97572	3.1
125.02435	2.6
127.03954	1.0
129.10284	1.1
134.97583	4.5
136.99203	1.4
148.99117	6.9
152.98541	5.1
152.99606	2.1
164.98619	8.6
186.12456	1.9
206.99692	2.3
225.00728	14.6
231.10361	0.8
291.19580	2.1
299.04453	2.9
311.22385	1.0
406.52710	1.0
505.43802	0.9
551.35748	2.0
607.24329	100.0
607.38245	12.8
608.24719	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28369	3.9
70.17799	9.4
112.72201	4.2
140.42247	3.8
258.08478	3.7
284.65622	3.9
311.82938	3.8
418.76401	4.0
420.22986	4.4
431.22324	17.2
445.23947	12.1
447.25455	8.7
452.08511	4.2
457.19894	4.3
459.26212	8.0
460.23428	25.1
472.22833	32.2
474.20596	16.0
475.21146	27.9
475.25381	15.6
487.25082	82.8
488.24789	6.0
502.19861	24.2
504.25449	8.2
513.22803	7.2
519.28430	21.2
531.23975	100.0
532.24176	11.1
534.22699	17.5
545.25232	7.1
547.23279	8.4
548.23975	15.4
563.26318	20.0
607.25537	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58508	1.9
58.44757	2.2
59.91015	2.0
68.85044	2.0
71.39323	2.3
116.77325	2.0
117.98386	1.8
119.54130	2.1
166.27650	2.2
182.78064	1.8
273.34979	2.5
292.81903	1.9
431.22540	16.1
445.23926	8.1
447.25385	7.8
459.18243	3.5
459.25259	7.8
460.22925	23.8
471.21768	13.6
472.22644	35.9
474.20233	11.6
475.20490	7.3
475.24988	18.3
476.24878	2.7
485.23660	3.1
487.25024	100.0
488.25125	8.0
502.20087	23.9
504.25354	8.0
513.23016	7.4
519.24054	9.8
519.27350	9.2
531.23969	98.8
532.24237	8.4
534.22394	4.8
545.25482	3.6
547.23846	3.8
548.24182	12.5
563.26593	18.3
575.22852	3.6
607.25677	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	92.9
61.98811	2.7
69.12026	15.9
71.01378	50.6
73.02938	21.4
85.02952	26.9
89.02446	100.0
91.26521	2.4
99.00880	38.5
101.02445	43.9
101.41570	2.2
113.02471	10.5
115.04053	2.7
119.03459	3.1
125.02454	5.0
129.01982	3.0
131.03484	18.6
143.03502	5.2
147.03012	5.3
149.04561	91.8
161.04591	4.9
179.05664	2.4
181.11803	2.6
191.02002	8.7
191.05608	18.0
221.06693	10.0
251.07739	11.5
272.35419	2.7
275.07660	2.5
293.08792	3.6
300.43973	2.4
311.09900	8.8
325.51770	2.5
326.31137	2.5
547.27509	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85755	1.8
51.38892	1.7
55.01870	4.2
55.69341	1.8
56.07299	1.8
57.03453	12.0
59.01380	50.1
61.98831	12.4
70.50321	3.3
71.01378	29.8
73.02936	12.1
85.02950	100.0
89.02445	50.3
99.00878	16.6
101.02438	24.2
103.00356	3.3
110.48966	1.8
113.02444	4.3
119.03497	2.9
129.01942	11.7
131.03496	6.2
133.02954	3.6
137.31535	1.8
147.03030	9.6
149.04558	45.2
161.04543	4.2
184.97685	1.9
191.01996	32.3
191.05626	7.4
209.02933	1.8
221.06654	3.6
251.07655	8.1
293.08679	2.5
311.09720	2.9
491.04443	1.9
547.27625	26.5
607.33716	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19940	0.4
60.50103	0.4
61.98830	100.0
69.11291	0.4
74.19094	0.4
109.95390	0.4
121.44141	0.4
128.17902	0.4
132.74115	0.5
250.24666	0.4
261.11111	0.7
304.62491	0.5
305.07538	0.4
522.29205	0.4
608.25024	1.0
609.26483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80338	0.3
55.40760	0.3
57.03444	0.4
59.01377	2.8
61.60296	0.3
61.98825	100.0
68.52744	0.3
70.45984	0.4
71.01382	1.2
73.02955	1.0
83.01385	0.3
85.02946	3.8
86.03311	0.7
87.00886	0.4
88.98822	1.2
89.02425	0.6
93.03438	0.5
96.96027	0.7
101.02438	1.1
105.83578	0.2
109.82536	0.3
113.02440	0.3
113.84278	0.3
119.05035	0.5
126.25134	0.3
129.01939	0.6
129.10324	1.4
131.03467	0.4
133.03014	0.3
134.06114	0.5
136.07581	0.4
137.09744	1.3
147.02969	0.5
155.08261	1.4
155.93991	0.4
161.76855	0.3
163.03970	0.8
167.11700	0.3
179.15474	0.4
180.06682	1.9
181.09848	0.4
191.01956	1.4
192.02386	0.3
204.55052	0.3
209.03090	0.8
223.14360	0.3
239.12883	1.7
243.02856	0.3
249.16089	0.8
277.90488	0.3
293.15067	1.0
300.02802	0.4
315.05264	0.4
360.23022	0.4
503.94537	0.3
545.33447	11.4
546.33954	0.8
570.03375	0.3
608.29474	0.4
609.14703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.7
70.73190	0.8
78.69798	0.5
83.01423	0.7
92.10364	0.5
106.17927	0.5
107.01385	2.6
108.02200	1.6
109.02934	0.9
114.17535	0.6
121.02968	1.3
135.00859	0.7
137.85254	0.5
148.01659	1.4
151.00378	10.4
161.22850	0.6
163.00420	1.4
164.01135	1.3
165.96350	0.6
178.99852	5.3
187.03918	0.7
193.01376	0.7
194.91179	0.6
203.03572	0.7
215.03503	0.8
226.02776	2.1
227.03500	3.2
243.02953	10.6
245.04558	1.3
254.02187	2.1
255.02979	28.9
256.03381	1.2
271.02475	61.2
272.03036	3.2
273.04120	1.4
284.03146	1.5
299.01974	1.4
300.02744	93.3
301.03503	24.0
302.03970	0.9
509.25644	0.7
609.14563	100.0
610.14532	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.0
63.02397	0.6
65.00314	0.6
69.12867	1.0
69.13262	2.5
70.51794	0.5
71.01385	0.7
82.32663	0.6
83.01400	1.0
89.02466	0.6
106.34134	0.5
107.01391	1.3
113.45383	0.6
113.55436	0.5
119.03234	0.5
145.02936	0.6
151.00371	5.9
163.00388	1.0
171.04561	0.9
175.04057	0.8
178.99863	1.8
183.04512	1.3
187.03923	0.9
199.03969	6.0
201.02052	0.6
203.03529	0.6
211.03929	0.7
215.03537	2.7
218.53383	0.6
226.02805	0.8
227.03503	6.9
242.02219	4.3
243.02962	27.5
244.03609	1.3
255.02971	14.8
256.03424	1.0
257.04529	4.4
270.01685	4.2
271.02469	41.5
272.03085	3.3
284.03427	1.0
285.04013	9.5
286.04910	2.6
287.05624	2.9
299.01965	64.0
300.02719	19.9
301.03146	0.7
313.03525	0.5
314.04324	69.7
315.05084	43.4
316.05396	1.5
327.08701	1.2
342.10965	1.2
354.10919	0.7
357.13495	3.4
369.13535	3.2
413.14938	0.7
477.10431	1.0
609.14575	100.0
610.14880	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Cyanin
Peak:m/z	Relative Intensity
59.01376	1.4
60.42254	0.7
61.98823	3.4
65.00352	1.1
67.80128	0.7
68.18153	0.8
68.69726	0.7
80.79486	0.6
83.01385	1.0
85.02936	0.8
85.30603	0.6
89.02458	1.1
93.03444	0.6
96.96088	0.7
101.02445	1.2
107.01411	1.0
108.02102	1.1
113.02464	1.4
119.04855	0.7
145.06270	1.1
151.00357	2.7
159.04495	1.3
169.06560	0.7
175.04018	1.9
183.04514	2.8
187.03993	0.8
211.04016	2.3
227.03490	11.1
229.04941	0.7
239.03392	0.8
241.04971	0.8
243.02969	1.4
244.23735	0.7
255.02974	53.4
256.03369	3.2
269.04697	1.2
271.02728	0.8
283.02469	94.3
284.03192	21.9
285.04037	49.5
286.04404	1.5
297.03906	1.3
299.01920	0.8
314.04242	1.2
326.04404	1.2
327.05069	2.3
429.20364	0.8
446.08478	17.0
447.09277	100.0
448.09702	4.3
461.11536	0.9
473.29407	0.8
489.10458	9.4
531.11572	1.0
563.19513	0.9
609.14502	45.3
610.14935	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10948	0.5
54.72325	0.5
59.01394	0.7
63.02391	1.1
65.00330	0.6
69.16680	3.2
83.01392	0.7
83.95575	0.5
89.02480	0.5
93.03461	1.1
97.03034	0.5
107.01382	2.4
108.99104	0.5
132.02167	1.4
135.00891	1.7
139.90741	0.5
151.00366	4.3
159.04520	1.0
163.00398	1.7
164.01219	0.7
171.04483	0.5
175.04066	0.6
178.99889	1.5
183.04520	1.6
185.06180	1.5
187.04034	2.3
195.04541	0.7
197.06017	0.6
199.04042	1.1
200.04898	0.9
211.03992	3.1
213.05553	1.2
227.03508	44.7
228.03996	1.2
229.05077	6.1
239.03477	1.6
240.04185	0.8
241.05006	0.6
255.02982	80.9
256.03622	6.4
257.04572	4.6
283.02505	1.8
284.03262	95.3
285.04019	48.1
285.07401	1.0
286.04266	1.1
429.08197	2.2
609.14569	100.0
610.14838	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87105	3.3
59.01381	56.8
61.98828	63.1
71.01388	25.4
79.79968	3.6
83.01402	6.6
85.02953	21.0
87.00935	4.0
89.02453	14.3
96.95995	8.3
101.02449	10.9
109.02959	5.7
111.00903	4.3
113.02445	11.2
119.03500	5.6
121.02963	14.9
122.03716	10.8
134.03784	4.8
147.04544	7.3
159.76045	3.7
165.05528	18.6
179.07109	8.1
205.25893	4.1
255.03009	5.0
284.03333	5.1
285.04028	7.7
313.14105	4.4
339.08792	6.9
343.15375	8.8
346.14270	8.5
361.16516	55.4
362.13190	4.0
369.13403	16.4
387.14343	6.7
505.20776	100.0
506.21100	12.9
523.21735	37.4
524.13007	4.0
524.21643	4.5
536.36865	3.8
565.22870	17.7
609.14783	9.5
609.23645	4.6
626.49823	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.98829	16.8
63.96215	0.7
69.03464	0.6
71.01381	5.8
71.43329	0.4
73.02948	1.7
73.48276	0.4
78.98582	4.4
79.95731	10.7
80.96514	57.7
85.02957	2.7
86.79781	0.4
87.00886	2.4
87.04544	0.4
94.98085	14.1
96.95996	1.1
97.02967	1.3
101.02449	1.7
106.98058	2.3
122.97565	3.1
125.02430	2.3
131.50272	0.4
134.97585	3.7
136.99132	1.1
146.97635	0.6
148.99124	4.3
152.98636	5.3
164.98628	10.6
167.00163	0.8
197.11800	0.9
206.99695	1.5
211.13486	0.7
225.00749	14.3
299.04419	2.4
424.25534	0.9
504.08008	0.6
609.25812	100.0
610.26111	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2677
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01360	2.0
61.98829	3.6
63.12905	2.0
74.75648	2.1
76.33600	1.9
78.95904	70.2
81.53987	1.9
96.96953	14.9
106.81438	2.1
113.09712	7.3
121.10213	2.8
129.14949	2.0
151.27344	1.8
151.71092	2.1
152.99579	54.4
171.10281	5.0
179.10876	1.9
241.01170	28.0
275.20087	5.0
293.21262	30.2
294.21652	2.2
315.04828	6.2
429.20422	7.6
609.26733	100.0
610.27240	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2677
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
55.11200	0.5
59.01359	1.6
61.98810	1.7
65.01369	0.6
71.01380	1.1
77.45638	0.6
78.91852	0.7
78.95902	55.9
80.96523	1.3
85.02920	1.0
90.46014	0.7
91.16273	0.6
93.43119	0.5
96.96964	10.8
121.10231	0.9
152.99585	40.8
153.52971	0.6
171.10255	0.8
183.10298	0.7
195.13872	6.8
196.14554	1.6
205.12410	1.0
223.00127	1.1
223.13365	5.4
241.01187	26.6
256.12994	0.7
259.02173	2.2
275.20120	2.6
293.21225	22.6
294.21640	1.2
299.01791	0.6
315.04846	5.9
429.20615	5.5
431.15881	0.7
464.06281	0.7
511.19479	1.0
609.26758	100.0
610.26965	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79097	0.7
55.20551	0.8
59.11813	0.8
65.98502	1.0
69.85291	1.7
69.85635	1.8
86.87926	0.9
87.76708	0.8
88.32640	0.9
95.05025	29.9
98.21959	0.9
105.60288	0.9
114.39683	0.8
150.02972	1.7
152.79976	0.8
170.86038	0.9
195.13885	10.8
196.14615	2.4
208.14651	0.9
214.20364	0.9
223.13425	7.5
224.13953	1.0
246.12350	30.3
256.13184	1.1
275.20145	4.4
278.11356	53.3
279.11581	1.0
293.21216	100.0
294.21533	4.4
298.86691	0.8
311.46274	0.9
315.19400	33.9
470.17960	0.9
497.52768	0.9
572.31592	1.3
576.42474	0.9
609.41376	17.0
610.41205	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01385	2.1
62.21835	1.5
69.15968	1.1
69.41997	5.7
78.95910	3.2
98.21864	2.3
111.08266	1.5
113.09730	10.4
125.87289	1.3
127.87037	2.8
163.10934	1.2
167.10791	1.5
179.10814	1.3
195.13988	1.9
206.82899	2.2
217.12071	4.4
235.13234	2.1
237.22444	1.5
247.09511	1.4
247.20796	1.7
272.13849	2.1
277.21698	2.1
293.21237	46.2
315.19388	100.0
316.19714	2.9
339.13174	1.5
549.17657	1.4
572.09998	4.0
573.10394	4.1
609.41058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17227	1.1
59.01386	3.0
64.31586	1.2
65.11489	1.2
69.60294	1.4
69.68244	3.3
71.01363	1.7
72.91263	1.2
85.73501	1.2
88.29980	1.2
95.05016	2.2
98.22648	2.6
109.06564	1.7
111.63007	1.7
117.60334	1.1
121.09358	1.4
121.10223	21.3
125.09727	1.2
152.99635	1.9
158.52890	1.2
171.10262	60.3
183.13884	3.9
185.11873	2.0
191.06731	1.4
207.10078	2.8
211.13306	1.6
220.86320	1.4
223.13071	1.4
228.80042	1.5
231.21190	4.2
233.83955	1.4
245.58707	1.2
246.12331	1.7
275.20135	64.9
276.20538	2.4
278.11319	9.2
293.21228	81.2
294.21475	3.5
297.18356	3.7
309.15231	1.2
315.19397	55.1
359.18338	5.3
609.41272	100.0
610.41516	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05923	3.8
53.12917	4.0
54.69381	3.5
59.01379	42.6
61.98829	100.0
63.99248	8.7
69.28019	6.9
69.28405	11.2
71.01366	9.6
73.02943	11.5
76.54055	4.3
85.02956	12.1
88.98786	11.0
89.02463	12.3
96.96012	10.5
101.02444	14.3
111.00875	5.6
131.03514	5.2
175.85001	4.6
185.38058	4.0
190.28033	4.2
239.12822	11.3
240.13277	9.8
269.01660	4.2
269.86444	4.3
405.19006	23.6
547.33673	10.4
567.31348	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.3
59.01374	7.8
61.98828	100.0
64.70934	0.2
67.86604	0.2
69.06221	1.8
71.01379	1.3
72.99361	0.3
73.02951	0.7
78.34241	0.2
83.01418	0.4
85.02959	1.0
89.02469	0.7
98.21868	0.6
101.02447	0.9
113.02468	0.4
121.02960	0.7
135.04539	0.7
147.04533	0.3
165.05655	0.7
195.06680	0.5
206.14456	0.3
342.14755	0.3
389.16043	1.2
390.16855	1.1
405.19229	4.2
406.19354	0.4
550.24011	0.5
567.24475	5.8
568.24872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
59.01380	7.8
59.92392	0.3
61.98831	100.0
69.46046	1.4
71.01379	2.0
73.02959	1.2
83.01378	0.6
85.02966	2.0
87.00935	0.3
89.02464	0.9
93.03477	0.5
95.01408	0.3
96.96058	0.5
99.00880	0.4
101.02467	1.5
109.39848	0.3
111.00875	0.5
113.02462	0.9
119.03471	0.4
120.26608	0.3
121.02989	0.8
133.02901	0.3
135.04559	1.4
136.04951	0.6
161.02522	0.5
165.05664	0.8
170.57669	0.3
173.04489	0.3
194.05925	0.4
230.04103	0.3
272.17014	0.3
285.04077	0.9
286.04361	0.5
342.15335	0.4
374.13828	0.4
378.92188	0.4
389.16052	1.6
390.17007	0.9
405.19211	4.9
406.19589	0.7
431.51093	0.4
547.22626	0.4
550.23633	1.6
567.24438	7.0
568.25165	1.0
610.13385	0.7
610.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01378	100.0
60.01714	1.2
61.98821	1.4
69.18047	2.1
71.01384	1.9
73.02949	0.6
85.02953	4.3
89.02452	1.3
95.99126	0.4
96.96027	1.3
98.22633	0.7
101.02441	0.8
113.02426	0.6
129.01945	0.7
139.74611	0.6
151.00343	1.1
161.04552	0.5
165.05441	0.6
172.05249	0.7
172.89410	0.5
191.01970	3.3
191.05600	0.8
209.03003	1.4
217.04333	0.7
227.03462	0.9
242.02124	0.6
243.02863	2.9
244.03232	1.8
245.03508	1.5
255.02922	1.1
256.03275	1.0
257.03690	0.7
270.01617	0.5
270.08948	0.7
271.02402	3.7
272.02786	2.5
273.03125	3.0
285.03998	0.7
285.11118	0.6
286.04449	0.6
287.05026	0.8
288.05289	0.6
299.01987	5.8
300.02374	5.1
301.02502	6.0
302.03183	1.2
314.04349	6.5
314.07709	0.8
315.04800	6.5
316.04974	7.9
317.05582	2.5
325.14191	1.1
326.11240	0.7
329.10440	3.1
341.10294	3.0
344.12582	3.6
356.12430	2.1
359.14944	16.3
360.15488	0.9
369.13129	0.5
371.14996	10.1
387.14386	1.4
389.16110	0.6
419.17175	2.6
491.68320	0.5
611.15009	22.0
612.15112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74950	0.4
55.01877	1.2
57.03445	1.0
59.01378	100.0
59.89911	0.4
69.11649	2.5
71.01379	20.1
73.02943	6.8
75.00864	0.5
83.01402	2.5
85.02946	8.9
87.00885	0.8
87.13168	0.4
89.02440	7.7
95.00861	0.4
95.01408	1.8
97.02939	0.6
98.22598	1.0
99.00861	2.7
101.02438	19.5
113.02442	10.5
119.03500	2.9
125.02486	0.6
129.01886	0.5
129.07866	0.4
138.77385	0.4
143.03514	1.8
149.11197	0.4
159.03003	3.2
161.04561	18.9
179.05640	0.9
281.08572	0.4
311.13098	0.9
326.15396	1.0
387.16721	0.5
389.19577	3.3
449.11987	0.5
551.25055	7.6
611.27448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55124	0.6
78.95907	3.8
79.95728	3.3
96.00925	1.8
96.96011	100.0
96.96895	4.3
99.22053	0.5
108.14843	0.6
118.96657	1.0
152.99660	0.7
179.34941	0.7
189.00858	0.8
253.09349	0.8
277.21732	4.5
291.03839	0.9
351.06012	2.6
629.22406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96511	1.2
58.36647	1.4
59.01358	2.1
62.17266	1.3
69.46544	5.0
73.40949	1.5
78.95900	56.6
80.91684	3.0
82.95387	4.6
96.96006	2.9
96.96944	10.7
99.95059	1.6
136.12941	1.4
152.99588	40.5
179.14445	1.4
195.13853	13.0
198.61299	1.4
241.01196	29.4
277.21719	10.8
295.22745	35.8
315.04800	4.9
345.02234	1.4
431.21902	4.2
525.25244	4.1
611.28320	100.0
612.28650	5.5
627.93433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.3
70.09438	2.0
70.09765	1.5
85.02973	1.4
89.20580	0.9
108.02169	2.7
137.53729	0.8
163.99286	1.0
170.60214	1.0
189.07103	2.8
191.01936	0.9
191.08788	1.0
193.06573	1.0
196.05284	1.4
203.08617	1.9
204.05800	1.8
205.06624	2.3
206.07240	1.4
207.08165	1.2
210.06898	1.0
217.06616	3.6
219.08176	2.1
221.06018	1.7
229.06656	1.5
231.08064	1.8
232.05287	9.8
233.06078	5.4
234.06746	4.3
235.07642	4.9
236.04796	2.4
237.09039	1.1
238.06746	0.8
245.06149	3.1
246.06796	2.6
247.07603	6.5
248.04770	1.2
248.08315	4.4
249.05623	4.5
249.09177	3.2
250.06343	2.9
251.07083	2.6
260.04852	2.8
261.05591	4.3
262.06256	2.2
263.03671	1.4
263.07126	3.8
264.04269	9.1
264.07104	1.1
275.07150	10.2
276.04160	1.3
276.07642	2.1
277.05045	4.9
277.08633	1.9
278.05734	8.0
279.03491	1.1
279.06601	21.6
280.07068	0.9
289.05072	3.3
290.05798	2.5
291.06714	2.3
292.03793	5.0
292.07169	1.9
293.08249	11.1
294.08966	12.6
297.11090	1.1
303.06436	1.2
304.07520	1.3
305.04605	2.6
305.08267	2.3
306.05261	3.1
307.06100	11.6
308.10556	21.7
309.07779	2.3
309.11261	24.4
310.11661	1.6
319.06091	1.4
320.07050	1.8
321.07745	7.2
322.08463	5.0
332.06824	1.6
335.05539	5.1
335.09238	19.5
336.06332	1.2
336.09860	4.3
337.10806	100.0
338.11139	7.8
350.07986	1.2
365.10275	44.8
366.10446	2.0
367.08173	1.3
378.96979	1.0
409.09326	13.0
548.81708	1.1
616.61865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35779	0.9
50.53993	0.9
51.69010	0.9
57.83149	1.1
59.01372	1.5
72.26407	1.0
85.11157	0.9
85.43499	1.0
98.22691	2.3
119.72016	1.1
234.06673	1.2
247.03949	2.3
248.08464	3.1
249.05673	1.0
249.09142	2.9
258.03137	2.0
260.04871	2.5
261.05658	3.5
262.06213	2.0
273.05640	4.2
275.03525	9.5
275.06870	1.6
276.04352	5.0
276.07468	1.3
277.05109	2.5
277.08646	2.0
288.04254	1.6
289.05060	16.3
290.05792	14.4
291.06522	6.0
302.05835	1.8
304.03748	16.7
304.07370	6.8
305.04437	6.0
305.08154	3.3
308.06741	1.8
319.06104	33.3
320.06674	4.3
334.08188	3.1
335.09216	1.0
342.39285	1.1
364.05911	6.1
366.07364	4.5
379.08212	100.0
380.08737	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12849	1.5
56.56240	1.4
59.01369	5.8
61.98827	3.0
99.99445	1.6
119.88210	1.7
191.43695	1.5
247.03851	2.7
248.08397	2.6
261.05576	4.6
263.07169	1.8
273.05609	2.9
275.03421	5.3
276.04150	2.6
277.05023	3.4
289.05057	9.8
290.05716	11.0
291.06619	4.5
304.03735	14.1
304.07401	5.6
305.04495	7.7
305.07962	3.5
319.06094	29.4
320.06668	4.3
334.08286	2.9
364.05725	4.9
365.86124	1.6
366.07275	3.9
379.08228	100.0
380.08353	5.4
439.94263	2.0
483.99014	1.8
526.01556	1.6
544.34985	1.6
613.27618	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
61.98837	1.1
69.14027	4.1
69.14446	1.1
71.01390	1.2
75.00899	0.7
76.64639	0.8
80.56660	0.7
82.95400	1.2
85.02957	2.5
87.00864	1.1
101.02473	0.9
116.92863	0.9
144.93048	0.8
170.60202	0.7
191.01971	1.1
220.05251	1.4
236.04752	2.2
239.03543	1.0
263.03415	2.3
264.04181	4.2
276.04138	0.9
277.05005	1.2
279.06680	1.0
289.05151	0.9
291.02957	6.5
292.03769	21.2
293.04129	1.5
304.03552	0.9
306.05429	5.1
307.06113	7.7
319.02322	1.1
320.03238	33.8
321.03885	0.9
321.07718	2.1
322.08466	3.4
335.05588	49.3
336.06030	3.3
349.07156	1.1
350.07864	2.2
364.02081	1.5
365.06635	6.1
366.07217	1.2
379.04510	4.8
381.09586	1.1
382.06619	0.9
393.06036	2.0
394.06924	24.3
395.07336	1.1
409.09259	100.0
410.09497	5.9
561.78888	0.8
613.30676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	5.7
59.01375	100.0
61.98809	14.2
69.47916	11.4
71.01380	46.6
73.03007	3.6
75.00879	7.2
77.99870	3.6
85.02969	10.7
89.02443	90.1
96.96024	11.8
97.02856	3.8
98.22376	12.9
101.02445	38.1
113.02449	21.4
115.65522	3.5
119.03522	35.9
143.03488	6.5
148.31050	4.0
149.02391	3.9
161.04546	13.0
179.05582	36.2
225.07590	4.4
239.07201	5.5
241.03038	4.7
252.14220	3.6
261.46390	3.7
267.06613	27.9
279.06476	5.7
295.06143	75.3
310.08438	61.6
325.10782	42.6
364.06073	4.1
373.12894	51.7
451.12073	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30828	1.7
59.01379	42.4
70.11509	4.1
78.37259	1.7
98.22493	1.9
215.03383	1.9
239.07288	3.1
240.04272	19.0
255.06512	5.4
265.04968	3.3
267.06595	6.4
270.08881	2.6
279.06598	2.3
283.06122	10.2
285.92471	2.0
295.06152	24.7
298.08450	22.1
310.08429	28.8
313.10815	41.6
325.06958	3.3
325.10712	27.2
340.09219	2.4
343.11823	6.2
361.12933	80.8
362.13208	4.2
373.12885	100.0
374.13293	7.9
391.14020	11.5
517.67261	1.9
585.10388	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51891	15.3
59.88498	20.4
61.98827	26.9
69.16354	35.7
69.16752	82.9
71.01385	21.5
78.95905	48.4
81.84799	16.5
82.95404	41.5
84.95111	17.0
85.00416	17.4
101.02406	20.7
117.59524	18.6
152.27959	16.0
152.99608	42.4
171.10332	19.5
178.60989	17.4
199.09866	35.0
207.10262	59.1
209.11819	49.2
225.11363	28.3
241.01244	27.9
253.09305	28.2
613.29047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.303
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
50.21072	0.5
51.78397	0.5
54.27055	0.5
59.01374	4.3
61.98827	3.6
69.00938	1.0
69.96425	0.8
69.96758	0.9
71.02497	5.6
72.00905	3.9
74.02457	1.7
75.00869	0.7
82.01720	1.1
83.24200	0.5
85.02940	1.8
85.04063	0.9
86.07835	0.6
91.05527	2.0
93.03461	4.8
96.96023	1.0
97.00434	1.0
98.01218	1.6
98.22561	0.7
99.01985	0.8
106.04236	1.5
107.05035	1.0
110.02482	0.6
111.01990	3.4
112.02796	0.9
112.07677	2.0
116.04346	0.7
116.05068	8.3
117.03445	1.3
118.06623	4.5
119.05024	8.7
120.04572	0.7
121.02937	0.8
131.03717	0.8
132.04561	0.8
133.05321	4.7
134.06120	15.8
136.07672	3.3
144.04573	1.3
146.06117	8.1
150.03210	0.6
153.07948	0.7
157.05383	1.1
157.13454	9.6
158.06116	1.0
158.11786	0.7
160.03981	1.8
160.07642	1.5
161.07196	2.1
162.05605	4.3
163.04037	5.9
163.08783	0.9
164.07146	1.1
165.05537	0.8
171.05746	0.5
173.07187	2.3
174.05611	1.0
175.08786	0.7
178.05852	0.5
180.06659	20.4
183.05626	1.6
185.07225	1.3
186.05643	0.7
187.05127	15.5
188.05840	1.1
189.06679	9.4
191.01973	1.1
191.08228	5.2
195.08162	1.4
197.07187	1.1
197.12985	1.7
199.05252	0.7
199.07382	0.6
200.05823	0.9
201.06770	1.0
203.08208	1.5
209.03027	0.7
218.06950	1.7
221.09500	3.0
222.09262	0.9
224.10805	1.2
232.16965	1.0
232.91779	0.5
241.13266	0.8
247.12442	6.0
248.10735	1.1
259.18036	3.5
264.10263	4.7
266.11801	6.1
267.12296	0.5
276.10144	0.9
281.13016	0.8
283.14505	1.9
284.17764	2.4
291.11349	1.4
292.09509	0.6
302.18674	1.5
303.87692	0.6
305.18701	2.0
309.12448	2.4
320.11685	0.8
327.13489	18.8
328.13699	0.8
335.12747	0.7
354.15186	0.8
368.16629	1.2
369.15726	0.8
388.23947	7.6
393.15909	0.6
411.17136	3.6
428.19678	0.7
432.22836	4.2
455.16010	7.0
472.19214	1.2
499.17471	2.4
500.17786	0.9
567.24005	0.7
569.31189	2.0
595.28735	0.8
613.30273	100.0
614.30457	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.303
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
59.01373	0.4
66.03474	0.7
70.70126	0.7
71.02505	5.5
72.00903	1.9
74.02472	2.4
81.42915	0.3
82.06632	2.2
84.53626	0.4
85.02946	0.5
85.04062	2.2
91.05547	3.7
93.03459	4.2
98.01234	1.2
99.01986	0.9
106.04217	1.8
107.05012	1.3
110.06095	1.5
111.02011	15.7
112.02785	0.6
116.05047	1.8
118.06593	1.0
119.05025	8.3
123.06930	0.5
124.02778	1.1
127.08775	3.1
128.07141	0.6
131.05019	0.4
132.04550	0.5
133.05321	1.6
134.06122	14.0
135.06430	0.4
136.07686	6.0
139.08711	0.7
146.06117	19.3
149.07182	0.5
153.06717	1.9
154.07452	1.5
155.08293	2.1
158.06114	0.6
160.04037	0.5
160.07706	1.0
161.07242	0.4
162.05592	1.0
163.04007	6.0
163.08781	0.7
164.07135	0.9
172.07751	0.5
173.07153	0.5
174.05550	0.5
180.06664	21.9
181.07016	0.4
185.07285	0.4
189.06712	4.2
191.08260	5.3
191.11874	1.2
198.05600	1.2
199.05151	0.4
202.07341	0.5
203.08275	1.2
213.13953	2.7
214.12326	3.4
215.08212	1.1
218.06937	1.1
221.09370	1.8
223.11328	0.4
231.11343	0.5
239.11989	0.9
240.10315	0.9
241.06302	0.7
241.38434	0.4
257.12967	3.0
259.14594	0.5
264.10242	1.1
266.11856	11.5
273.53381	0.4
282.15958	0.6
283.14438	2.8
284.17575	0.6
302.15698	0.5
302.18661	2.2
309.12350	1.0
310.10727	0.4
327.13480	14.7
328.13672	0.5
343.18042	1.3
378.14563	6.9
379.14761	0.6
388.23868	2.7
394.21289	1.8
421.20135	3.4
422.13565	0.6
422.20410	0.4
432.22873	7.3
438.20364	4.0
465.18970	4.0
466.19818	0.9
569.31042	1.6
613.30286	100.0
614.30615	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01376	0.8
69.55568	0.3
70.66397	0.5
82.49103	0.3
89.70793	0.3
95.05019	5.0
96.96008	0.4
97.06604	0.4
99.92548	0.3
100.93365	0.6
113.09724	2.7
115.92078	0.3
145.19794	0.4
150.02953	0.4
177.12848	0.6
179.14360	0.9
181.12392	0.5
195.13890	17.0
196.14264	0.4
215.10406	0.7
217.12093	2.1
223.19827	0.4
237.14604	1.5
246.12297	2.5
247.09294	0.4
249.22244	1.3
251.23885	0.4
277.21710	14.8
278.11328	5.2
278.22269	0.7
279.11835	0.4
295.22757	100.0
296.23108	4.0
299.19846	0.8
305.67886	0.4
315.19312	1.6
317.20944	50.9
318.21152	1.2
361.19958	3.2
455.17059	1.2
473.18103	0.9
512.13440	2.1
526.14941	0.8
613.19427	0.9
613.44385	25.1
614.20172	7.9
614.44531	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
69.03453	0.7
69.35928	3.4
71.69700	0.6
95.05042	1.0
125.09711	1.4
138.10347	0.6
141.12946	0.9
151.11246	0.8
171.10269	43.6
172.10724	0.9
182.45255	0.7
183.10254	1.4
189.98938	0.7
191.06972	1.6
195.13905	1.7
209.08002	0.7
212.48854	0.8
222.42178	0.7
233.22675	1.3
249.22214	2.0
277.21710	49.3
278.22058	2.6
295.22772	100.0
296.23145	4.7
299.19830	1.4
315.19318	0.9
317.20932	48.6
318.21310	1.7
361.19916	2.7
613.44427	77.5
614.20081	1.5
614.44745	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56393	9.4
54.05786	9.0
59.12811	7.0
60.42350	7.4
62.08176	6.8
65.06979	7.2
69.27485	40.5
71.63080	7.4
81.35328	8.4
93.11039	7.0
95.59293	7.3
107.83602	8.8
112.58887	8.2
117.87232	7.7
177.77463	8.5
232.05331	11.6
278.05762	13.9
279.06631	16.0
293.08063	11.4
294.09146	16.8
296.13550	8.0
307.05951	9.0
308.10486	24.8
309.11508	15.1
321.07639	12.0
335.09302	22.5
337.10767	93.3
342.69803	8.7
347.59637	8.9
356.18982	9.5
365.10284	100.0
400.46216	9.7
409.09320	93.3
497.89578	12.4
634.14325	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.59277	3.2
61.98851	4.6
65.36074	4.6
70.02284	3.3
71.01374	19.4
73.02946	62.3
77.83702	3.7
80.42616	3.5
83.01385	10.5
85.02974	4.1
88.36246	3.3
89.02441	7.8
101.02430	53.4
113.02479	11.3
143.03499	4.6
149.04533	7.2
149.63138	3.6
161.04591	19.5
257.17697	4.1
274.01080	3.8
324.28018	4.1
335.05811	7.8
371.31464	4.2
409.09247	27.2
424.42606	4.5
614.31134	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
59.01377	4.7
60.01725	0.4
61.98829	100.0
62.29145	0.3
71.01384	1.0
71.02517	0.6
73.02940	0.5
77.08721	0.3
85.02938	0.6
88.02502	0.3
89.02454	0.3
91.05525	0.4
93.03451	0.5
98.21890	0.7
101.02431	0.5
111.02023	1.2
111.95010	0.3
113.02463	0.4
118.09852	0.3
119.05042	0.5
134.06142	1.1
136.07654	0.6
146.06157	1.3
147.06525	0.5
158.06104	0.4
161.04631	0.4
163.04045	0.5
165.01947	0.7
180.04489	0.4
180.06638	1.8
195.06645	0.5
257.13083	0.4
266.12015	1.1
267.12247	0.5
327.13614	0.5
328.13950	0.4
337.38293	0.3
378.14700	0.4
379.14984	0.4
432.22745	0.3
433.24048	0.5
466.18784	0.3
523.58966	0.4
613.30499	0.7
614.30573	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57423	0.5
58.08000	0.5
59.01376	100.0
60.01706	0.6
71.14658	0.6
75.00885	1.5
87.46347	0.5
87.47010	0.5
89.24078	0.5
100.72818	0.5
103.00462	10.1
103.01491	75.9
115.50176	0.5
141.22856	0.5
158.78633	0.5
180.75249	0.5
227.63504	0.5
244.41025	0.6
379.08032	0.8
512.49371	0.5
520.60211	0.5
636.08643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36655	1.5
50.83852	2.0
59.01377	59.3
61.98841	8.8
71.01382	45.0
71.42714	2.2
72.78748	1.4
73.02947	9.0
73.78540	1.9
74.30339	1.7
82.95441	2.3
83.01379	4.5
85.02956	21.3
86.46999	1.5
87.00885	4.6
89.02440	50.2
91.18777	1.6
95.01377	2.7
96.96008	3.8
99.08189	3.5
101.02450	30.9
113.02451	15.5
116.92857	20.2
119.03508	11.0
125.02455	3.9
128.03526	2.3
129.01927	2.3
131.03491	9.5
143.03503	3.3
144.04642	1.7
145.08719	11.9
149.04567	13.3
159.85225	2.3
161.04561	9.7
179.05640	13.7
191.01997	5.3
191.05608	5.2
201.53561	1.6
221.06665	7.6
225.11308	3.3
279.25830	1.8
303.07684	2.3
307.10696	3.5
307.13931	32.4
345.01978	1.8
393.17548	14.7
423.18652	14.4
454.57101	1.8
461.09036	8.4
461.59094	2.4
555.22864	100.0
556.23328	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.39
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01744	5.3
59.01366	5.1
69.03434	4.5
71.10918	5.6
78.95930	7.5
95.05035	4.6
96.96024	8.6
98.22525	5.4
100.51435	5.3
109.06558	6.1
116.92875	5.1
125.09734	17.6
135.08185	8.9
141.05525	5.4
153.09189	8.1
163.11302	13.6
171.10262	17.8
185.11775	12.3
191.14511	9.6
207.10423	6.3
209.11836	38.3
245.19189	25.1
266.17679	4.8
289.18130	81.4
305.17599	11.4
307.19156	100.0
309.20602	8.6
314.11908	5.0
323.18533	6.7
325.20300	27.0
431.44470	5.1
534.60693	5.1
536.75690	5.2
555.28125	8.2
597.37866	6.6
615.39105	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.07587	0.9
73.87967	0.1
112.20413	0.1
132.76431	0.1
197.81259	0.2
325.90793	0.1
444.26776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45004	0.4
59.01370	0.4
61.16706	0.4
61.98827	100.0
83.92897	0.5
88.10826	0.5
99.15838	0.4
102.35373	0.5
107.86651	0.4
113.51369	0.4
114.17752	0.4
124.58241	0.4
269.33612	0.5
298.94315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98832	100.0
62.95940	0.3
71.01412	0.5
74.99103	0.4
85.02979	0.8
117.44035	0.3
126.77882	0.3
173.12334	0.3
191.01863	0.3
364.13968	0.3
452.62503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21003	0.4
59.01378	2.3
60.32656	0.4
61.98828	100.0
69.03422	0.6
70.31212	0.6
70.31515	0.5
71.01384	0.8
71.48440	0.4
72.87785	0.4
73.86958	0.4
85.02959	1.8
89.02454	0.7
96.96014	1.7
112.33466	0.4
116.92870	1.2
145.09837	1.5
160.71997	0.4
165.01941	0.7
165.05571	1.2
169.35796	0.4
181.16495	0.5
191.02023	0.6
195.06706	0.8
222.12544	1.5
223.12955	0.8
240.13481	1.1
282.05511	0.4
286.22836	0.5
294.88260	0.4
395.63364	0.4
601.00604	0.5
615.34985	2.1
616.35699	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79809	1.1
59.01381	11.1
61.98830	1.6
69.27944	2.8
69.28350	3.2
71.01371	2.4
73.02959	1.2
80.42659	1.1
82.95402	1.1
85.02942	5.8
87.81769	1.1
87.95653	1.1
93.03449	4.7
96.96027	7.4
101.02489	2.0
112.00302	1.3
113.02451	2.1
116.92858	4.5
121.02969	5.4
122.03757	15.4
124.01763	1.3
129.01904	1.7
133.02968	1.6
135.04555	2.1
136.01653	1.4
137.02499	2.2
147.04524	1.5
149.02451	19.5
150.03233	99.5
151.03911	1.8
161.02464	2.1
161.04642	1.5
161.09113	1.1
163.03949	2.2
164.01146	1.3
164.04782	5.6
165.05580	100.0
166.05856	2.1
174.88486	1.3
180.04285	7.4
181.78606	1.1
191.02023	1.9
195.06625	49.9
207.06528	2.0
241.05045	3.1
253.05348	1.4
254.05983	3.1
255.02759	2.2
267.06812	2.0
269.04477	1.4
270.05292	2.9
282.05121	1.6
284.06741	1.7
285.07693	2.6
294.05460	2.5
295.05859	2.4
297.04132	1.5
297.07654	1.9
298.04990	2.5
308.06790	2.0
309.07678	4.4
310.04956	2.6
310.08408	2.8
311.09174	2.8
313.07178	12.7
323.09378	2.6
324.09836	1.8
325.03516	2.1
325.07120	15.8
327.08847	3.5
328.09485	19.1
329.09998	2.6
340.09525	11.7
341.09778	1.5
342.11038	1.3
343.07938	2.1
343.11835	21.4
355.08115	2.1
355.11868	15.3
373.13007	1.9
390.67996	1.2
391.14038	34.1
395.11151	1.2
403.13977	42.6
404.14230	2.5
439.23181	1.4
476.14679	18.1
491.09857	2.2
491.17108	47.6
492.17429	2.7
497.20837	1.4
499.25046	1.3
516.53412	1.2
521.18103	2.7
530.72705	1.2
537.25311	1.2
539.19324	11.3
551.19049	2.1
569.20276	18.6
570.20349	2.1
617.22253	14.4
617.31036	1.9
618.23425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	19.3
60.19698	8.0
61.98830	50.6
66.82980	7.0
71.01382	12.8
85.02945	15.7
89.02447	9.4
95.97947	7.6
98.21915	21.9
99.04617	7.7
101.02431	10.8
137.02420	19.7
165.01904	100.0
179.03494	12.0
180.04263	68.9
183.04829	8.9
191.01851	8.0
195.06633	87.9
210.05347	12.0
225.07678	79.0
230.62798	8.0
352.31964	8.1
382.41605	9.2
391.17606	27.9
458.13611	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
59.01379	6.2
61.98830	1.9
69.28973	4.3
71.01384	3.0
73.02915	1.3
76.88906	0.9
84.26111	0.9
85.02949	5.3
86.53813	1.0
89.02439	1.3
90.18196	0.8
92.38344	0.8
93.03447	0.8
98.21913	1.7
101.02462	1.1
104.31013	0.9
105.34192	0.7
107.05090	0.8
108.02195	0.8
109.02958	4.1
119.01370	1.1
121.02970	5.9
122.03745	1.6
123.04538	1.2
125.02438	2.9
136.01642	2.6
137.01440	1.5
137.02444	25.2
138.03198	1.9
139.03979	2.0
142.97923	0.9
147.00851	1.5
147.04494	3.7
148.01633	2.0
149.02420	2.8
151.04013	3.7
152.04799	2.5
160.04092	1.2
161.02438	1.8
161.06024	2.1
162.03128	1.7
163.03992	3.6
164.01108	2.8
164.04800	7.1
165.01923	100.0
165.05522	7.7
166.02414	2.9
175.03963	3.9
176.04761	2.0
177.01920	2.8
177.05505	2.9
179.03493	20.8
179.07101	10.3
180.04276	59.2
181.05060	7.4
191.01921	2.4
191.07138	1.6
192.04297	1.9
193.05157	0.9
194.05890	5.5
194.07524	1.0
195.06615	80.4
196.07001	2.1
207.06592	2.8
207.46399	0.8
209.08147	4.7
210.05330	10.8
211.05981	1.2
225.07666	49.7
226.07922	1.3
254.36682	0.9
331.11862	2.8
343.11963	1.2
345.13190	2.7
359.14920	2.4
361.12866	5.7
362.13416	1.3
375.14230	1.3
376.15280	9.7
377.15988	4.4
390.16849	1.9
391.17606	56.5
392.17834	3.3
445.18518	3.6
553.16345	0.8
554.21613	1.2
569.23907	50.2
570.24243	5.6
581.23700	2.5
599.24677	4.9
600.25848	1.1
617.25812	6.0
618.35101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86487	0.8
59.01377	100.0
61.81857	0.6
69.23303	4.5
74.72086	0.7
75.00871	1.5
98.22624	1.3
99.46336	0.8
103.00366	3.0
103.01495	70.6
104.01801	0.8
153.34897	0.8
180.35381	0.7
206.18628	0.7
208.44008	0.8
224.70547	0.9
290.94647	0.8
307.19305	1.0
341.49805	0.8
381.64172	0.9
457.86816	0.9
538.32068	0.8
617.40601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98821	1.9
69.23037	1.9
69.23438	5.1
75.00877	2.2
78.95868	1.0
98.21865	2.1
103.00380	2.4
103.01495	73.6
124.15188	1.1
129.72203	0.9
130.08684	2.0
138.80956	0.9
250.19240	1.0
258.69907	1.0
309.20743	1.5
401.41504	1.2
562.11993	1.2
599.39337	1.9
612.46869	1.0
617.40985	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3845
Annotation	3-O-Caffeoyl oleanolic acid
Peak:m/z	Relative Intensity
59.67173	1.1
61.98803	1.1
71.13079	1.4
133.02960	12.9
134.03767	6.1
135.04512	4.8
137.02441	1.6
161.02446	30.8
178.02695	1.3
179.03482	2.6
181.26192	1.1
307.77136	1.2
340.55664	1.2
440.80560	1.2
492.32520	1.4
573.39429	30.5
574.40039	2.1
617.38409	100.0
618.38727	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69113	1.0
57.03442	2.6
59.01376	2.9
61.98813	1.9
64.33623	1.0
69.03432	1.8
69.11344	6.7
81.03445	1.7
81.28172	1.2
83.05006	2.1
93.03442	1.1
95.05049	1.1
97.02938	3.2
97.06593	2.1
98.21892	2.3
107.04986	1.3
109.06580	1.8
111.04577	1.0
111.08146	8.2
112.05328	1.3
116.92881	1.9
121.10288	1.1
123.04544	2.8
123.08201	1.8
125.09727	4.8
127.07658	1.8
132.28889	1.0
135.08177	4.0
137.09721	4.3
138.76723	1.1
141.05589	3.8
151.11304	1.3
153.09206	13.1
155.67079	1.2
163.11319	6.7
169.01433	1.3
169.12379	3.1
170.89220	1.2
171.10274	15.7
173.55487	1.3
177.12825	1.4
179.10719	1.3
181.12386	2.8
183.06636	1.1
183.13902	1.2
185.11792	6.1
191.14412	7.8
197.11815	31.9
199.13423	1.8
207.10258	2.9
209.11832	9.9
209.15524	2.6
210.12177	1.1
211.13333	5.1
223.16954	1.6
223.74619	1.2
225.11287	4.5
227.12849	1.6
245.04208	1.5
245.19061	17.8
246.19504	1.6
251.16425	2.9
263.20187	2.1
271.17081	1.9
279.19717	1.4
289.18100	71.7
290.18323	3.3
291.19638	9.6
305.17642	1.5
307.19122	100.0
308.19586	5.5
309.20694	32.4
310.21127	1.2
324.19608	1.8
325.20190	32.3
354.35303	1.0
364.66931	1.2
481.25632	1.4
581.38446	3.6
588.41058	1.2
599.39325	6.8
617.40857	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	7.9
61.98825	9.1
62.80402	5.6
69.66981	7.4
70.82858	5.8
73.55329	5.4
87.00883	6.1
91.81277	6.2
109.96808	5.4
121.10242	8.1
125.09792	10.6
163.11278	9.4
185.11844	16.4
191.14545	10.7
211.13405	53.7
245.19165	12.5
276.54398	5.6
286.46332	5.5
289.18109	66.7
291.19684	100.0
304.53687	6.4
307.19162	62.7
309.20657	25.2
315.11664	6.0
323.88608	6.2
469.36981	7.0
525.51154	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92387	100.0
78.44281	38.7
85.04148	30.4
104.08714	36.3
104.89707	33.7
139.82933	29.5
291.73358	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11988	1.6
55.65693	1.2
56.09662	1.3
57.03454	1.2
59.01077	1.5
59.01378	30.2
61.98825	2.2
65.00320	2.4
65.31237	1.1
65.54813	1.1
70.13555	2.7
71.01395	2.9
73.02950	1.8
76.85612	1.2
81.03455	7.0
83.01381	4.4
85.02951	2.3
93.03424	1.7
95.05003	1.3
96.96014	2.7
105.03458	5.8
107.01424	2.0
109.76975	1.2
113.02522	1.7
117.03494	1.7
118.58150	1.2
119.05041	6.6
121.02944	4.1
123.04520	9.5
125.02442	9.3
125.06084	1.7
129.03416	1.6
135.04524	4.8
137.02448	2.5
145.02968	1.3
147.04530	13.8
148.01660	3.0
149.02448	26.1
150.65919	1.2
161.02444	4.8
161.06142	1.6
161.09732	1.4
163.04048	8.8
164.01152	2.8
165.01894	1.8
165.05600	3.5
171.04494	1.6
174.03224	1.9
175.03963	3.5
177.01971	3.0
179.03502	11.1
181.05099	4.4
187.04024	2.7
187.11220	3.0
189.01906	1.8
189.05540	3.1
190.02657	3.5
191.03499	88.6
192.03944	3.1
203.03514	2.5
206.02168	1.6
215.03523	3.4
221.04591	1.8
223.13304	1.8
233.04503	12.3
267.12439	1.5
275.05670	1.4
293.06677	100.0
294.06955	3.6
300.61661	1.3
305.10269	3.8
317.10248	14.8
339.24658	1.4
347.11249	3.3
353.08765	14.8
369.15475	2.3
413.10831	7.8
419.08356	2.2
419.13507	21.2
429.17612	2.2
479.15573	81.3
480.15891	3.5
500.29523	1.6
539.17694	44.1
540.18042	2.9
569.57220	1.5
574.32806	1.6
619.13232	5.5
619.30890	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64197	1.4
59.01379	100.0
69.17636	8.0
75.00849	2.0
96.96026	2.0
103.00399	3.8
103.01498	79.9
122.61832	1.6
171.10225	6.3
174.18243	1.8
181.07736	1.5
183.13939	1.9
211.13521	2.5
289.17978	1.8
291.19528	4.9
309.20734	15.8
327.21713	14.7
397.81522	1.6
601.41205	1.8
619.42291	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86024	3.2
55.76144	3.6
56.05758	2.8
66.18178	2.7
69.96183	8.4
86.62450	3.2
97.02970	14.7
98.21909	4.0
108.76217	2.5
163.11366	3.3
165.12804	4.7
171.10258	5.4
184.55936	3.1
190.86839	2.8
247.20648	6.2
266.58173	3.1
291.19641	46.4
303.59018	2.9
309.20679	100.0
310.21051	3.5
508.29346	3.1
579.29755	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00829	17.4
81.96848	19.4
85.32983	17.0
88.74812	16.6
100.07794	17.0
104.42480	20.0
106.18755	17.3
134.03702	43.9
135.04451	27.2
139.68973	18.3
165.03999	27.7
179.03481	23.1
237.01860	18.0
253.95279	18.1
307.19241	32.5
309.20782	100.0
548.48145	21.3
607.37177	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19540	0.3
59.01377	0.7
60.99298	0.3
61.98827	100.0
67.73557	0.2
71.67816	0.2
85.02934	0.3
88.98816	1.0
89.02425	0.4
98.22660	0.5
98.81307	0.3
126.11470	0.2
135.01678	0.2
141.43748	0.3
379.08252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.8
59.01377	100.0
61.98833	1.0
69.03446	0.5
69.91161	1.5
71.01381	21.8
72.99299	0.6
73.02950	1.8
83.01398	1.2
84.12196	0.6
85.02955	5.6
87.00890	0.8
89.02443	28.6
91.01905	1.6
95.01392	1.4
96.96024	2.2
99.00900	0.8
101.02438	13.3
101.30576	0.6
109.02967	1.1
111.00915	1.1
113.02455	8.7
119.03503	9.7
129.01962	0.8
131.03496	1.4
143.03477	1.4
149.04575	1.4
155.05066	1.2
161.04579	1.8
179.05624	3.9
197.02432	1.1
199.04002	5.7
199.05421	0.5
200.62819	0.6
205.07401	0.6
227.03500	2.3
240.09665	0.6
246.06880	0.8
247.07651	1.2
249.16418	0.6
274.06415	0.8
275.07205	2.1
289.05203	1.0
334.04840	4.1
349.07159	39.0
350.07675	1.9
391.10452	0.5
413.21924	1.3
414.77991	0.6
451.10376	1.1
529.13818	1.7
626.33765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67974	0.5
59.01381	5.2
60.45928	0.6
64.54270	0.6
71.01394	3.0
73.02941	1.1
78.42003	0.5
85.02940	1.4
87.00880	0.6
89.02464	1.9
95.01383	0.9
98.21772	1.2
101.02437	1.9
109.02926	1.7
113.02449	1.6
119.03481	0.6
121.03006	0.7
123.00892	1.9
125.02448	0.9
130.08720	0.6
137.02443	7.0
139.03883	0.7
149.02451	1.0
150.03226	0.6
151.00378	14.9
151.03970	0.9
152.01047	1.7
152.04797	2.5
161.04543	0.9
164.04735	1.1
165.01964	1.0
166.02713	47.3
167.03322	2.5
177.01926	2.2
181.05061	61.2
182.05396	1.7
189.05566	0.6
189.07314	0.5
190.06323	0.8
191.03526	1.1
192.04385	0.8
193.05045	1.0
205.05069	0.9
205.08743	0.9
206.05685	0.5
207.06664	1.6
219.00426	0.5
223.63727	0.5
229.14494	0.6
263.42139	0.6
359.11365	1.4
387.10803	12.3
388.11343	1.0
402.13168	5.9
417.15543	100.0
418.15964	6.4
517.30328	1.3
561.29138	2.5
579.29785	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62674	2.3
58.90668	2.4
65.87090	2.4
69.95463	5.2
76.05407	2.6
78.95919	3.2
83.96303	2.4
92.64527	2.7
207.77036	2.4
289.97086	2.7
311.22284	11.0
313.67697	3.8
327.21707	3.5
344.54419	2.9
415.19611	3.8
428.16846	3.2
443.18372	4.6
444.19669	7.3
445.20105	9.3
446.21317	4.6
457.20313	8.2
458.21048	4.5
459.22556	15.0
461.23721	6.0
471.18134	10.7
473.23923	6.3
474.21176	17.4
475.21033	3.6
485.20062	12.9
486.20560	38.9
486.27121	4.6
487.20770	4.6
488.18423	10.3
489.18716	10.2
489.23096	15.5
499.21460	3.3
500.22406	4.1
501.22943	100.0
502.23334	10.5
503.20200	3.5
516.17865	8.1
518.23077	16.6
527.20752	7.3
533.25952	31.3
544.20746	5.9
545.21942	59.1
546.22070	6.6
548.20630	13.0
549.21667	4.6
559.23456	16.0
561.21503	8.0
562.22479	12.8
577.24445	24.7
621.23389	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52771	0.5
59.01368	0.6
66.78424	0.4
68.85702	0.6
71.41906	0.5
77.85249	0.6
77.95114	0.5
93.03472	2.5
97.06559	1.0
112.32941	0.5
121.85902	0.5
125.09818	0.6
131.95805	0.6
148.08908	0.8
150.10518	1.2
151.11324	0.6
163.11237	1.4
165.12831	19.4
166.13097	0.6
175.11197	0.8
176.12080	0.9
177.12796	0.8
185.11632	0.7
191.14481	1.1
209.11833	2.3
217.15869	1.0
231.10002	3.9
231.24355	0.6
238.81737	0.6
245.19119	1.0
247.20657	9.6
260.08188	1.7
273.18619	5.7
285.18231	1.3
289.18057	2.7
291.19641	100.0
292.20007	4.7
307.19168	2.8
313.17950	1.1
329.14963	5.4
355.12100	1.1
606.90552	0.6
621.35370	7.7
622.35736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01366	1.0
64.87068	0.3
69.70852	0.5
69.71195	1.1
71.06177	0.4
77.54927	0.3
80.02672	0.9
81.03455	0.5
83.01382	0.8
83.05051	0.5
93.03465	3.1
95.05029	0.7
97.02939	0.4
97.06583	1.3
98.22556	0.8
110.03712	0.3
119.74068	0.3
123.04520	0.9
123.08176	0.6
125.06094	0.4
125.09715	0.9
135.08083	0.4
137.09723	1.2
148.08916	1.4
149.09717	0.7
150.10486	1.0
151.11214	0.7
163.11299	2.3
165.12837	21.7
166.13142	0.5
175.07430	0.8
175.11276	0.7
177.12830	0.5
179.10851	0.4
185.11823	0.9
191.14346	1.9
202.10092	0.4
203.10521	0.4
207.10187	1.2
209.11812	7.3
217.15977	0.8
225.11386	0.7
231.10017	9.3
233.11632	0.8
244.10815	1.2
245.19107	2.7
247.20665	10.6
248.21094	0.4
260.08038	0.8
273.18600	5.5
285.18472	1.3
289.18082	9.0
291.19659	100.0
292.19980	5.6
307.19122	6.9
313.17834	3.4
317.17392	0.9
329.15161	3.1
329.17682	1.8
355.12042	0.6
476.27216	0.5
523.30341	1.1
591.47711	0.4
621.36963	10.6
622.37347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
59.01370	0.5
61.98827	0.7
62.68543	0.3
71.01373	0.6
72.99308	0.3
73.02937	0.8
79.95736	4.4
80.96532	1.9
85.02962	0.5
87.00890	0.5
94.90712	0.3
94.98073	0.5
96.96014	100.0
101.02470	0.9
113.02502	0.3
122.97558	0.7
124.63962	0.3
138.97089	1.2
142.66707	0.3
150.97050	0.6
152.98643	6.8
166.96510	0.4
180.98122	1.7
241.00241	48.6
242.00543	0.9
291.02716	0.4
292.03842	3.4
294.63461	0.3
305.08084	0.4
306.05316	1.3
307.06149	3.6
321.07611	1.6
366.07416	6.0
381.09885	1.7
402.34323	0.3
458.06158	0.3
475.20297	0.3
623.10767	47.1
624.11090	4.5
639.44373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50575	0.2
59.01378	0.8
61.98833	0.3
69.07482	1.7
71.01375	0.7
73.02948	0.9
79.95732	4.1
80.91702	0.7
80.96516	2.2
83.01388	0.5
87.00892	0.4
94.98071	0.5
95.95255	0.4
96.96014	100.0
98.21861	0.5
101.02450	1.5
104.68021	0.2
113.02487	0.2
122.97562	1.4
138.97083	1.0
150.97020	0.6
152.97418	0.5
152.98634	6.5
164.98637	0.3
165.08298	0.2
166.96475	0.3
170.04718	0.2
173.35994	0.3
180.98128	1.9
234.64609	0.3
241.00240	43.8
242.00638	0.6
264.04340	0.5
291.02780	0.4
292.03806	3.3
305.08002	0.4
306.05295	1.3
307.06140	3.6
321.07614	1.9
351.05246	0.4
366.07437	5.8
367.07840	0.3
381.09906	1.4
623.10779	38.5
624.11115	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1618
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
59.01377	0.5
63.02409	0.4
64.92315	0.3
65.00332	1.1
70.09201	0.5
74.15954	0.3
83.01385	0.7
89.02423	0.3
101.03989	0.4
107.01402	1.4
135.00951	0.4
139.48535	0.3
143.05009	0.4
145.02959	0.8
148.01617	0.4
151.00375	5.7
155.05054	0.3
157.02959	0.7
159.04501	0.4
163.00337	0.6
164.01047	0.4
167.05186	0.4
169.02888	0.3
171.04541	0.7
175.04065	0.5
178.99892	0.3
183.04494	2.0
187.04012	0.8
189.01912	0.3
199.04001	5.8
201.02011	0.8
203.03520	0.6
211.04050	0.7
215.03468	2.7
226.02693	0.4
227.03520	6.4
229.01442	0.6
242.02219	4.1
243.02975	27.9
244.03587	1.5
254.02234	0.5
255.02972	13.7
256.03470	1.0
257.04541	4.2
259.06329	0.4
270.01688	4.6
271.02481	39.6
272.02939	3.0
272.29932	0.3
285.04019	6.8
286.04886	2.1
287.05649	1.2
291.57327	0.3
299.01974	56.5
300.02713	21.2
300.06293	0.4
301.03360	0.9
313.03442	0.5
314.04327	43.9
315.05081	35.5
316.05383	1.6
357.06113	1.0
389.15985	0.4
623.16162	100.0
624.16467	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03441	0.3
59.01378	100.0
60.01704	0.6
61.98837	0.3
66.59063	0.1
69.03443	0.1
69.52505	0.1
71.01379	4.0
72.01711	0.1
72.99342	0.1
73.02944	1.1
83.01364	0.6
85.02946	2.0
87.00882	0.3
89.02448	1.3
93.30569	0.1
95.01406	0.4
96.96053	0.2
97.65137	0.1
99.00896	0.5
100.09396	0.1
101.02441	2.5
113.02443	3.0
119.03519	0.3
125.02467	0.2
143.03510	0.3
161.04579	1.3
169.26178	0.1
171.35060	0.1
175.03981	0.1
194.05902	0.1
215.63332	0.1
261.72919	0.1
272.21719	0.1
300.02682	0.2
314.04428	0.1
315.05347	0.2
326.11710	0.2
341.13852	0.6
356.16193	0.6
371.18887	0.2
373.79205	0.1
419.20947	0.8
460.31863	0.1
464.73346	0.1
563.25360	0.5
581.26672	0.4
623.14655	0.3
623.24249	0.2
634.82300	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50152	1.1
59.01377	7.3
61.98828	100.0
65.43335	1.4
71.01380	11.0
73.02934	3.4
83.01374	1.4
85.02935	4.3
89.02424	2.9
101.02438	7.8
113.02420	7.0
130.38187	1.0
161.04524	8.7
208.89117	1.2
419.20859	1.6
483.27621	1.3
581.25677	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08260	0.1
59.01376	0.9
59.25986	0.1
59.66381	0.1
61.98828	100.0
62.98523	0.1
71.01385	0.9
73.02946	0.5
80.96529	0.2
85.02982	0.2
88.76640	0.1
89.02462	0.4
89.90263	0.1
96.96023	0.2
101.02450	0.6
113.02479	0.4
161.04573	0.5
227.13164	0.1
319.45139	0.1
322.86282	0.2
341.14148	0.1
348.24741	0.1
454.87973	0.1
482.49649	0.2
504.96588	0.1
624.24579	0.1
625.25208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.141
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
52.18977	2.1
59.01374	3.6
59.54422	2.0
69.36945	7.9
71.01393	2.9
72.09886	1.8
95.97774	1.9
96.95991	2.4
101.02483	2.3
107.48412	1.9
110.34062	2.5
151.00342	5.9
170.93826	2.0
178.99908	2.1
182.06807	2.2
199.04021	3.2
203.88283	2.3
203.93326	2.3
206.71277	2.0
243.02866	2.8
271.02502	55.8
272.03110	2.9
299.01959	100.0
300.02649	16.1
301.03510	35.5
302.03751	2.6
327.66537	2.1
423.05719	2.0
436.52158	2.2
462.08206	19.3
463.08762	32.6
464.08820	2.2
625.14111	82.1
626.14496	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.1
57.03467	3.8
59.01077	4.8
59.01382	91.6
61.98842	6.8
68.13773	3.8
71.01380	37.0
71.44032	4.7
73.02945	14.8
82.65528	3.1
83.01387	9.4
83.31557	3.7
85.02954	31.2
87.00868	6.7
89.02454	10.7
89.11328	3.3
95.13549	3.0
96.95994	3.3
97.70661	3.5
99.00871	5.1
101.02468	24.8
102.44805	3.1
108.02202	4.3
113.02451	14.0
113.94425	3.5
115.72939	3.9
116.92876	8.5
121.02941	13.1
121.29191	3.8
122.03749	17.2
123.04551	4.0
125.02484	3.7
133.02962	17.0
134.03712	11.2
135.04523	3.8
137.02435	6.4
147.04408	4.1
149.02438	76.2
149.05997	6.0
150.02141	6.3
150.03247	97.5
151.03844	3.1
164.04758	15.0
165.05579	81.4
166.06334	8.7
180.04248	6.6
181.08707	12.3
193.05032	4.8
195.06601	28.2
199.13437	3.9
209.11839	28.6
227.12869	21.5
271.02667	4.2
300.02878	4.6
314.11597	8.1
325.12814	24.7
329.13864	26.3
343.14001	8.8
397.13339	14.4
403.13782	4.9
415.14111	5.5
421.18723	14.7
473.18152	100.0
474.18356	7.5
491.19247	45.1
492.19336	4.7
521.20355	8.7
533.20294	73.7
534.21057	5.5
539.21509	9.8
581.22449	47.9
625.26971	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07736	2.0
60.30346	2.0
61.98830	2.6
70.44381	5.0
96.28879	2.5
96.49094	2.5
99.19603	2.3
103.25904	2.5
213.10320	7.9
278.11118	3.2
291.19415	4.0
293.21240	4.0
296.90567	2.6
309.20557	3.4
418.11401	2.6
433.13168	6.3
447.14651	4.2
448.15173	9.9
449.16278	7.3
463.17645	18.8
477.20175	3.0
478.19934	5.4
479.20901	16.2
491.17270	33.5
492.17526	4.7
506.19330	7.9
507.20178	5.2
519.20441	3.8
526.82971	2.9
538.22211	29.1
539.22729	10.1
593.24316	8.1
625.26636	100.0
626.27271	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.6
59.80290	0.7
61.98822	2.2
69.82952	1.8
69.83302	1.3
71.01382	13.6
73.02942	4.0
73.45209	0.8
80.02689	1.6
81.03480	1.9
83.01365	1.6
83.05032	5.6
84.02192	0.9
85.02953	3.6
87.00880	3.4
89.02448	13.3
95.01398	1.0
97.02968	2.2
101.02441	11.7
113.02451	6.3
119.03510	5.2
125.02443	4.6
134.03703	0.9
136.01682	0.9
138.19424	0.6
143.03572	1.1
149.04587	1.0
161.02422	1.9
161.04544	3.7
163.11299	5.0
164.04776	1.0
165.12811	2.5
176.04752	1.3
179.03484	3.0
179.05632	3.8
179.07051	1.6
188.90634	0.8
191.05588	1.2
191.07220	1.0
191.10776	1.1
193.05074	2.0
194.05855	3.9
199.13361	1.7
209.08484	13.5
209.11827	100.0
210.12169	2.9
221.06653	1.8
224.91438	0.8
227.12891	21.4
235.08151	4.3
251.09042	0.7
253.09302	1.3
287.07562	1.0
305.08969	1.3
322.20737	0.8
341.13962	1.4
360.45340	0.8
377.12613	0.8
397.13492	37.2
398.14105	1.7
415.14554	21.2
416.15323	0.8
625.27490	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09187	2.3
58.03168	2.0
59.01381	59.8
71.01380	25.1
71.60397	2.0
73.02953	7.9
80.02644	2.1
81.03467	2.2
83.01395	3.5
83.05031	4.8
85.02956	7.7
87.00869	3.4
89.02446	27.7
95.01405	2.2
97.02942	5.8
99.00890	3.9
101.02458	22.3
103.01494	2.6
113.02457	9.8
119.03513	6.8
122.03773	2.0
125.02452	4.6
128.03551	5.4
131.03481	2.3
137.02481	2.2
141.32634	2.1
143.03549	2.3
143.04671	3.1
149.02467	2.5
149.04568	7.5
150.03249	11.4
161.04504	5.2
163.11366	4.9
165.05540	13.2
165.12904	2.0
177.02019	10.0
179.05637	5.1
181.05051	3.2
191.05653	2.7
192.04320	12.8
192.51463	2.7
195.06657	9.9
199.13423	5.8
207.06654	22.7
209.11826	100.0
209.71271	2.2
221.06693	2.7
227.12914	31.2
227.15097	3.3
235.08290	3.7
253.09241	3.5
306.07654	5.4
307.08026	3.2
361.16434	6.9
383.84982	2.5
397.13443	35.6
403.13605	2.5
415.14490	25.2
463.21802	2.5
465.05872	2.9
473.18127	5.3
533.20032	2.7
565.28143	3.5
581.22113	2.7
625.26495	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84519	2.7
52.70160	2.5
59.01379	100.0
59.29098	2.4
61.98815	7.3
69.30719	8.9
69.31115	5.6
71.01378	47.7
73.02937	19.2
79.43275	2.7
83.05030	3.6
85.02951	11.9
89.02442	97.6
94.35700	2.4
98.22666	3.4
99.00876	31.5
101.02439	47.9
113.02457	12.9
119.03488	5.6
121.02975	4.9
125.02447	5.7
131.03487	12.1
137.02423	3.4
143.03476	5.3
145.62141	3.1
149.02446	5.3
149.04550	66.9
150.03188	5.9
161.04552	7.9
165.05617	4.3
179.05618	3.4
187.95595	3.0
191.05618	14.3
209.11812	42.1
221.06694	9.4
227.12906	16.8
250.42763	2.8
251.07666	11.0
307.84479	2.9
311.09836	10.5
397.13428	16.3
403.13907	8.1
415.14661	9.4
473.18365	6.6
565.28864	40.3
625.27252	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13692	0.6
59.69567	0.6
63.29224	0.7
69.81216	0.6
70.09184	1.8
79.55222	0.6
86.15579	0.6
95.05018	2.7
108.69451	0.7
116.67616	0.7
122.34923	0.7
125.50164	0.8
129.35591	0.7
135.14455	0.7
165.12946	0.7
175.58575	0.7
179.14392	0.9
195.13867	6.6
196.14661	1.0
202.88789	0.8
223.13336	4.6
256.13168	1.5
275.20187	4.0
278.11328	1.1
293.21225	100.0
294.08752	2.3
294.21570	3.4
296.56155	0.7
309.20895	0.7
459.24091	1.2
487.23605	1.6
588.29803	9.4
625.39215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11046	24.5
54.43814	22.9
66.04107	23.3
66.06810	21.3
69.05479	100.0
69.05907	81.8
92.57250	23.5
98.21828	35.5
172.22801	21.0
173.65775	21.5
184.13934	25.0
230.93190	25.2
397.41745	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13386	1.2
59.01379	83.8
60.99300	5.0
61.98816	2.2
64.54321	1.2
69.31630	7.0
71.01385	9.1
73.11066	1.2
81.03480	1.3
85.02966	2.1
87.00880	3.3
88.98808	30.8
89.02444	15.7
93.03475	2.1
96.96004	2.9
101.02450	4.1
113.02469	2.4
119.03519	3.4
121.02950	3.4
122.03755	5.7
128.01025	1.5
128.70967	1.4
143.03461	1.5
149.02435	23.8
150.03223	56.0
151.03902	3.0
161.02451	5.6
164.04828	7.0
165.05566	70.4
166.05920	1.7
175.07628	2.2
176.04756	4.7
179.03488	12.1
179.05606	3.7
180.04329	4.2
184.83882	1.3
185.11819	12.4
191.07150	1.9
194.05843	13.1
195.06625	100.0
196.07079	2.5
209.08173	38.5
210.08649	1.4
229.14435	13.8
266.56967	1.5
273.62244	1.4
280.17499	1.7
313.10907	1.5
342.11017	5.9
357.13434	44.9
358.13550	1.5
397.13354	2.6
405.15549	40.4
415.14557	4.3
530.97308	1.8
573.97717	1.4
627.14783	2.4
627.24683	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.4
61.98832	0.6
70.51279	0.7
71.01389	0.6
80.91689	0.9
85.02951	0.8
93.03474	0.6
101.20177	0.3
108.02273	0.3
109.02994	1.1
121.02944	3.5
123.04540	0.4
123.44720	0.3
125.02451	0.8
137.02464	0.5
139.04022	0.8
147.04536	0.6
151.04085	0.6
152.04843	0.5
161.04565	0.5
164.04778	0.3
165.05548	2.2
179.07141	0.6
180.04272	0.8
191.05713	0.4
194.05930	0.8
195.06641	2.2
327.12119	0.3
330.63831	0.4
341.49835	0.4
345.13467	2.3
359.15295	0.4
375.14511	2.6
390.16800	4.9
405.19180	38.8
406.19565	3.0
545.33881	1.3
567.31915	0.6
627.26898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76211	1.6
59.01377	42.9
61.98824	5.0
71.01015	2.4
71.01385	29.1
73.02960	9.7
75.00891	3.5
78.91901	11.7
79.95746	2.0
80.96521	10.1
81.09126	1.8
83.01388	4.4
85.02956	15.0
87.00906	2.0
88.98809	12.8
89.02434	13.8
94.98049	1.9
96.96000	5.5
98.22693	4.2
99.00909	3.1
101.02439	17.7
109.02915	4.1
113.02454	7.8
119.03484	4.9
121.02967	18.7
122.03717	3.1
127.21729	1.8
147.04619	4.3
151.04013	2.9
165.05545	12.9
175.98535	1.9
179.07175	4.8
195.06688	2.5
345.13373	3.4
359.14697	2.2
372.15781	2.3
375.14590	2.8
390.16739	19.4
391.17627	3.6
405.19177	64.3
406.19263	4.5
416.77258	1.8
460.13461	2.0
467.08850	2.0
477.71002	2.1
478.65591	2.3
567.24445	100.0
568.24786	8.4
627.26886	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71980	2.4
59.01361	9.7
61.98805	3.2
65.60806	2.3
71.01369	5.3
74.53939	2.3
78.95903	60.8
80.91660	8.2
85.02934	3.4
89.02438	3.7
94.65894	2.7
96.27875	3.1
96.96950	14.1
101.02406	3.2
113.02400	3.2
129.09172	2.7
142.44293	2.5
152.99570	40.8
171.10217	4.0
197.11842	7.5
199.13377	3.1
211.13335	9.6
241.01135	31.7
248.77850	2.4
253.45070	3.0
272.77356	2.9
293.21136	5.7
311.22250	17.4
315.04926	5.6
350.27118	3.1
359.82410	2.6
362.32401	2.9
403.39157	2.9
447.21280	6.4
616.74536	2.8
627.27777	100.0
628.28387	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
50.92847	0.8
56.99819	0.8
58.02985	5.3
59.01357	1.5
61.98824	1.1
69.48915	1.8
69.49304	1.9
71.01373	1.1
71.02496	4.7
72.00925	1.3
74.02454	1.8
78.95903	4.9
80.91686	1.2
82.06600	1.7
85.02947	1.3
85.04079	1.4
89.02420	1.2
91.05510	1.1
92.29373	0.9
93.03458	2.8
95.02527	1.0
110.54206	1.1
111.02003	5.4
116.05045	1.1
118.06560	0.8
119.05019	7.3
127.08785	4.4
132.15727	0.9
134.06113	4.1
135.04530	1.0
136.07707	1.6
146.05061	1.2
146.06123	12.6
152.99550	4.3
155.08249	3.4
160.07651	1.0
162.05624	1.0
163.04028	5.4
164.07095	1.2
164.78278	0.9
171.10252	1.0
180.06647	16.3
185.07288	0.9
186.05617	1.5
188.07108	1.3
189.06670	2.2
191.08278	5.0
205.09795	1.5
213.14000	3.0
214.09982	0.8
214.12317	2.6
218.06987	1.0
239.11830	3.6
240.10303	1.6
241.01244	1.5
241.13431	1.3
257.12991	8.6
259.14746	1.0
260.10559	0.9
266.11829	8.1
274.62616	1.1
283.14429	1.9
293.21210	0.9
298.15656	1.1
309.12463	1.3
311.22198	1.6
327.13522	10.0
328.13754	1.1
343.18185	5.0
349.81735	1.0
378.14471	2.6
394.21512	1.1
402.21844	2.1
438.20349	2.6
446.20746	1.5
568.24915	1.4
595.63611	1.0
627.28125	100.0
628.28461	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01381	13.9
61.98819	1.3
65.12399	0.3
71.01384	8.9
73.02965	1.8
81.03457	0.4
83.01390	0.9
83.05021	0.7
85.02959	2.8
86.93857	0.4
87.00882	2.6
88.98822	0.8
89.02450	9.8
96.96036	0.6
97.02935	1.7
99.00858	0.4
99.04545	0.3
101.02452	8.0
110.75414	0.4
111.00913	0.5
111.57363	0.4
113.02451	3.6
118.97125	0.4
119.03524	2.6
120.17743	0.4
125.02440	2.1
125.09745	1.6
127.11268	2.1
131.03445	0.4
143.03511	1.4
146.28159	0.3
149.02425	0.5
150.03233	0.7
154.34834	0.4
155.14348	0.6
161.04568	1.2
163.11176	0.4
165.05571	0.7
167.03429	0.5
167.14421	1.3
171.10257	2.2
178.02933	0.4
179.05577	2.5
179.99756	0.4
181.04977	0.4
183.13937	0.9
185.11842	1.2
195.06596	1.1
209.11794	2.4
211.13374	6.2
221.06621	0.6
227.12868	0.4
229.14441	100.0
230.14786	2.6
235.08211	1.8
246.20596	0.4
253.09218	0.9
305.08865	0.5
323.09970	0.5
389.78961	0.5
397.13513	15.8
397.18747	0.9
398.13937	0.8
415.14572	19.5
416.14890	1.0
463.08832	0.9
570.94391	0.5
627.16077	0.4
627.27020	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62801	1.8
53.81467	2.2
56.98830	1.7
59.01375	8.1
61.98818	10.0
69.00906	1.9
69.67066	7.4
71.01382	10.1
71.02513	2.3
71.67036	1.9
72.00910	8.5
73.02936	3.5
74.08923	2.0
80.96535	2.3
82.01739	3.3
83.02495	10.6
85.02946	5.0
89.02448	1.9
91.05539	3.4
93.03461	18.4
95.02489	2.4
96.08203	2.5
98.01221	2.6
101.02441	6.5
106.04247	2.3
108.02120	2.2
111.02026	3.7
113.02490	4.4
116.05073	12.6
118.06618	14.1
119.02494	6.3
119.05019	32.9
123.04590	2.0
128.05067	4.3
130.08731	7.7
133.05383	3.4
134.06123	17.7
137.02437	15.9
143.06181	2.7
144.04539	2.5
146.06110	8.2
150.34964	1.8
157.05331	3.9
161.07190	7.8
162.05605	13.5
162.07971	3.9
163.04007	20.7
164.04230	2.0
167.08273	11.6
169.09854	2.1
171.05630	12.3
173.07216	5.1
180.06668	56.7
183.10280	2.6
185.07187	5.0
186.05615	13.7
187.05136	3.2
187.08704	2.5
189.06700	31.2
190.05060	2.9
199.07368	2.1
200.05876	8.2
201.06743	3.2
203.08250	2.9
209.07196	38.2
214.12384	6.9
239.67398	1.9
252.12711	11.3
253.13503	6.3
257.12936	70.8
258.11130	3.8
258.13525	4.4
266.11835	5.8
270.11606	2.8
273.10373	3.7
275.11185	4.4
275.14059	75.4
282.76575	1.9
291.11414	3.3
292.09653	2.4
297.12491	9.2
309.12381	2.1
310.10889	3.6
327.13586	2.4
343.18176	24.6
356.23145	1.9
387.17136	100.0
388.17242	4.6
393.15939	5.0
433.20190	2.0
435.22339	5.1
462.20486	3.7
472.19183	3.0
482.17416	3.2
524.25653	9.4
525.26117	2.0
567.26563	11.5
568.24432	36.4
569.24707	3.5
627.27167	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.8
66.03504	0.6
69.72162	2.8
71.01364	0.8
71.02503	2.6
72.00897	4.4
74.02462	1.7
80.96513	2.5
82.01725	0.9
82.06611	3.1
84.35393	0.6
91.05533	2.0
93.03470	5.5
96.08147	1.0
97.00452	1.1
98.01220	1.4
106.04285	1.2
107.05037	1.7
110.06104	1.0
111.01997	4.1
114.44734	0.7
116.05061	2.6
118.06647	2.3
119.05035	13.6
127.08784	1.5
128.05067	0.8
128.07202	3.2
130.06633	0.8
131.05031	1.5
133.05357	1.6
134.06126	11.5
136.07683	3.2
137.07181	2.5
138.07883	0.7
139.08759	1.9
139.25638	0.8
146.06123	12.9
147.04514	1.9
151.05159	1.6
153.06746	0.7
155.08250	2.2
157.05394	0.9
158.06108	2.5
160.07654	1.3
162.05627	1.6
163.04008	12.3
164.07172	1.3
166.07526	3.2
166.58147	0.7
167.08267	1.4
173.07188	0.8
180.06660	38.1
186.05606	3.0
187.11337	0.9
189.06703	6.6
190.05156	0.8
191.08266	3.1
203.08252	2.0
209.07196	17.8
210.07521	0.7
213.63109	0.8
214.07382	1.6
214.12357	3.9
218.06863	0.8
221.09314	1.4
225.00722	0.8
225.13878	0.7
229.13330	1.0
239.11850	3.8
240.10323	1.9
241.13826	1.0
252.12657	4.9
257.12964	20.1
258.13458	0.9
264.10236	2.0
266.11807	6.2
272.13272	0.8
275.14020	9.6
281.12897	1.2
292.09808	1.6
303.53448	0.7
309.12610	1.9
310.10910	2.0
327.13486	12.2
341.16541	0.8
343.18155	14.4
344.18481	1.0
353.11633	1.0
387.17136	45.9
388.17377	4.8
457.17068	0.7
462.20428	0.9
524.25659	3.2
568.24536	100.0
569.24854	12.6
620.67108	0.8
627.26715	5.1
658.02722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26783	0.1
59.01376	0.7
68.99574	0.1
70.74848	0.2
72.94982	0.1
73.02940	2.4
75.00864	1.4
85.02984	0.3
87.00887	0.3
89.02450	0.2
99.00873	1.8
99.92584	10.2
100.92571	0.2
107.08793	0.1
114.93393	0.3
116.92861	100.0
116.97201	0.7
117.01942	5.1
117.05597	0.1
117.92862	2.8
199.19221	0.1
241.01305	0.2
257.12912	0.2
290.05887	0.2
301.11813	0.2
304.03836	0.2
319.06250	0.3
379.08270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73386	0.4
59.01376	100.0
60.01730	0.5
61.98838	0.9
63.46472	0.5
69.51891	1.9
72.33730	0.5
82.95417	1.6
90.54382	0.5
109.86481	0.4
139.75230	0.4
171.04477	0.7
215.03503	1.0
219.06673	1.3
228.33444	0.5
240.07980	0.6
241.05089	0.6
243.06693	1.0
255.06665	0.9
256.07513	1.8
257.08206	0.6
275.96066	0.5
281.08353	0.5
283.09927	1.7
284.06879	16.2
284.09805	1.1
285.07617	1.9
298.08630	0.7
309.07605	1.1
326.08038	1.0
327.08728	31.5
328.09152	1.3
331.89334	0.5
369.09833	1.0
386.10126	1.0
387.11310	0.6
396.73117	0.5
404.85175	0.5
429.11884	11.6
429.17474	0.7
430.12000	0.6
489.13998	20.6
490.14655	1.1
549.16016	9.4
550.16779	0.8
554.23999	0.5
629.11963	4.5
629.29285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98833	1.2
62.40962	0.6
70.31135	0.7
71.01365	0.9
84.95109	0.8
85.02938	1.0
96.96062	0.8
102.27502	1.0
116.92912	1.0
168.22670	0.7
225.10403	0.7
228.74321	0.7
241.04938	1.0
241.08836	2.5
243.06622	5.8
256.07510	2.7
257.08191	1.7
283.09875	1.2
284.06873	13.6
285.07681	6.7
299.09375	2.0
304.08115	0.7
309.07861	1.3
327.08701	25.9
328.09137	1.4
369.09824	2.0
429.11911	2.2
489.13971	63.4
490.14218	4.6
549.16107	20.5
550.16431	1.3
580.55792	0.9
629.11847	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96814	0.4
57.75346	0.4
59.01381	39.9
61.98832	1.1
62.37829	0.4
65.74520	0.4
69.26324	2.4
70.02989	0.6
71.01379	9.3
72.99312	0.8
73.02976	0.5
75.00868	0.9
81.39426	0.5
81.50867	0.5
82.02960	3.1
83.01377	0.5
85.02946	1.8
88.89112	0.4
89.02445	10.1
89.11944	0.5
96.96017	1.2
97.33418	0.5
99.00868	0.7
101.02428	6.9
112.04053	1.3
113.02448	3.6
119.03500	3.9
127.05191	0.8
130.08737	1.4
131.22385	0.5
138.52722	0.5
141.10326	3.2
150.07361	0.5
163.11287	4.0
169.13417	0.5
179.05559	0.5
191.05673	1.3
195.06714	0.7
197.12950	10.8
199.80882	0.5
207.10254	6.8
225.11386	0.6
241.11938	20.5
241.14417	1.0
242.12289	0.8
265.50021	0.5
282.21497	0.5
285.71097	0.5
324.31375	0.5
368.16705	0.5
387.16595	100.0
388.16852	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67598	0.4
61.98829	100.0
69.57209	1.5
75.48228	0.4
81.89669	0.5
92.56915	0.4
98.21888	0.5
102.36069	0.5
130.08736	5.1
142.67245	0.4
176.86351	0.5
211.15446	0.4
212.29472	0.5
213.79675	0.4
279.98679	0.6
566.42084	7.3
566.49915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03438	0.5
58.00592	0.3
59.01378	100.0
60.01706	0.5
61.98834	1.3
69.03468	1.0
70.36317	0.1
71.01381	16.0
72.99309	0.5
73.02943	39.0
74.03271	0.3
75.00876	0.7
81.03459	0.3
83.01387	10.3
85.02948	3.2
85.79447	0.1
87.00864	0.8
87.86686	0.1
88.98795	0.1
89.02441	5.3
93.03457	0.3
95.01389	2.0
96.96031	0.2
97.02943	0.8
99.00877	0.5
99.04513	0.3
99.92580	0.7
100.93382	0.2
101.02441	31.5
102.02783	0.3
109.02950	0.6
111.04523	0.2
113.02450	10.5
113.34015	0.1
115.03930	0.2
115.23157	0.1
115.92068	0.5
116.92860	3.2
119.03499	3.0
121.02980	0.2
125.02448	1.6
129.02043	0.2
131.03508	3.1
136.01663	0.2
137.02431	0.3
143.03494	3.1
145.01402	0.2
146.29991	0.1
149.04547	4.7
155.03510	1.3
159.04466	0.2
161.04555	8.4
162.04913	0.2
168.61206	0.1
172.05225	0.2
173.06000	0.1
179.05583	0.1
187.02477	0.3
190.10117	0.2
191.05608	0.4
203.05577	1.1
212.04712	0.3
213.05559	0.3
221.06595	1.3
235.07561	0.2
241.05095	0.9
249.09070	0.2
250.06396	0.2
263.06952	0.3
264.07681	0.2
265.08640	0.5
293.08151	0.6
294.08975	0.2
309.07758	0.2
320.03061	0.4
321.07410	0.3
323.09320	1.1
335.05435	0.5
337.07166	1.3
351.08499	0.6
366.95142	0.2
367.08078	0.9
394.06702	0.3
399.23462	0.3
409.09241	1.5
469.15842	0.5
517.13342	0.5
545.29858	1.2
559.14612	1.2
631.02966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
73.02970	0.5
81.68040	0.5
98.22741	0.8
98.23067	0.4
105.98656	0.5
108.02148	2.7
136.65857	0.5
187.08049	0.6
189.07097	1.4
191.08794	1.1
203.08672	1.3
204.05780	1.0
205.06641	1.8
207.08159	1.3
210.06921	0.9
217.06627	2.1
218.07339	0.8
219.08202	2.3
221.06119	0.9
229.06573	0.6
231.08202	1.8
232.05292	5.6
233.06070	3.4
234.06802	3.6
235.07622	3.8
236.04665	1.3
237.09003	0.8
238.06319	1.0
245.06052	1.0
246.06909	2.0
247.07619	5.6
248.08316	4.3
249.05504	1.8
249.09213	3.2
250.06291	1.3
251.07106	2.2
252.07779	0.6
257.06140	0.7
259.07581	1.3
260.04907	0.9
261.05481	3.1
262.06354	2.5
263.07150	3.3
264.04306	5.9
264.07465	1.1
265.08615	1.0
274.03146	0.5
274.06332	1.2
275.07150	11.9
276.07819	1.9
277.05038	2.6
277.08694	2.7
278.05823	6.6
278.09067	1.2
279.06631	19.4
279.09793	0.9
289.05197	1.8
290.05890	1.2
291.06586	2.1
292.03748	2.9
292.07132	1.0
293.04889	1.3
293.08188	11.2
294.08990	16.7
295.09323	1.5
297.11191	1.2
303.06445	0.7
304.07367	1.9
305.04575	1.7
305.08179	2.1
306.05365	2.6
307.06155	10.3
307.09549	1.1
308.10535	28.2
309.08011	1.0
309.11292	23.1
310.11597	1.2
317.04492	0.6
319.06204	1.0
320.06873	2.4
321.07718	8.2
322.08301	5.4
332.06870	2.0
335.05521	4.0
335.09177	22.2
336.09866	6.6
337.10803	76.5
338.11136	4.8
349.07251	1.0
350.07779	2.2
365.10281	74.6
366.10626	4.8
367.08026	2.6
379.08398	0.8
409.09259	78.6
410.09619	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.53064	0.3
57.90863	0.3
59.01376	3.1
61.98814	0.3
69.20251	1.1
69.20657	0.6
71.01360	0.3
72.99275	0.4
73.02944	4.3
75.00872	17.0
76.11708	0.3
81.87888	0.3
83.19078	0.3
89.02441	0.4
99.00882	6.3
99.92580	9.7
100.92568	0.3
110.62756	0.3
115.99918	0.4
116.03564	0.4
116.92860	100.0
116.97254	3.6
117.01940	17.1
117.05562	1.8
117.92872	2.2
127.19535	0.3
161.46645	0.3
168.91566	0.3
174.20386	0.3
251.65257	0.4
277.21780	1.8
307.19571	0.3
347.10287	0.3
437.38104	0.3
589.05450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.37403	1.0
57.03439	1.8
59.01377	100.0
61.98826	4.5
69.03446	1.6
69.66258	2.1
69.66650	2.1
71.01373	22.3
72.99316	1.7
73.02944	16.1
74.40890	0.9
83.01390	4.0
85.00436	1.2
85.02943	14.1
87.00880	5.7
87.04507	1.5
89.02432	10.8
93.48374	1.0
93.87838	0.9
95.01398	1.6
96.95966	1.5
98.21926	2.3
99.00890	2.9
101.02446	26.8
102.02831	1.0
103.01495	1.6
103.03990	5.7
104.48579	1.0
112.01683	1.9
113.02462	9.4
115.04003	4.6
116.92819	1.8
119.03494	6.6
124.01721	1.2
125.02495	2.5
127.04011	1.8
131.03523	4.7
136.07686	2.8
143.03493	8.7
145.05090	1.2
161.04572	4.7
163.06117	17.1
171.10199	1.5
183.15034	1.2
205.07161	10.7
229.09869	1.2
232.05304	1.1
247.08185	7.9
264.04327	1.4
279.06552	1.9
293.04517	1.5
293.24109	1.3
294.08893	1.7
303.31833	1.1
308.07007	1.8
308.10364	2.1
309.11188	1.6
317.95963	1.1
321.07962	1.3
323.09094	1.2
333.20654	2.6
335.09109	1.8
337.10699	7.5
339.13232	1.6
350.43155	1.0
350.47626	1.0
365.10284	8.8
367.08099	4.7
381.22812	2.6
399.23914	11.3
409.09253	11.1
527.28632	11.6
545.29639	57.9
546.29797	5.8
546.54761	1.1
549.14349	1.3
587.30957	5.7
615.29395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61917	0.3
52.53197	0.2
61.98829	100.0
63.04523	0.3
69.11305	0.7
69.11713	1.2
80.05102	0.2
80.88290	0.3
87.61195	0.2
128.10809	0.6
130.08739	15.6
194.16855	0.3
235.65474	0.3
272.75092	0.3
365.44931	0.3
394.19101	0.3
440.38776	0.3
471.91177	0.3
478.32254	0.3
568.43634	13.8
569.44391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.1
59.01378	6.8
59.79862	1.0
61.56680	0.9
61.98825	5.7
64.44518	1.0
71.01379	4.1
72.99288	2.0
73.02929	1.2
74.00928	1.1
74.02458	2.7
76.11005	1.0
84.00900	1.7
85.02940	2.5
87.00867	1.2
89.02383	1.6
93.03414	1.2
96.04528	1.4
96.96035	1.3
99.00881	1.5
99.01997	2.1
101.02432	2.8
108.94090	1.1
111.02011	4.2
112.04054	1.7
113.02434	2.0
113.07214	13.7
114.05621	41.7
116.03613	1.3
116.92855	2.0
119.03481	1.0
125.07204	1.5
128.03551	5.3
129.10330	2.3
130.08672	1.2
143.04567	6.6
149.04489	0.9
153.06712	6.9
165.06689	1.7
167.04697	1.3
169.06190	2.4
171.07738	18.5
181.06169	4.1
191.05608	1.5
195.08145	17.5
197.09746	3.4
206.07455	1.0
207.07997	2.1
209.09811	2.8
209.13071	1.2
210.08850	1.7
210.73576	1.0
211.14482	1.1
219.08099	3.1
226.15584	7.7
234.09274	1.6
235.11253	1.4
244.07631	2.1
245.08310	1.3
246.09285	3.0
248.11093	1.3
250.08769	2.0
262.08609	1.1
266.15155	1.7
268.19131	1.2
272.08792	2.0
290.08212	4.7
306.07706	17.6
307.10971	1.6
321.15662	9.5
361.15558	10.6
405.14569	4.9
422.17313	1.1
458.14014	2.2
460.22464	4.9
472.16135	1.7
473.25540	5.0
490.16638	1.7
517.24622	7.7
614.31238	1.3
632.30914	100.0
633.31018	8.2
661.51428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60312	0.9
57.02070	1.2
58.02974	10.3
59.01368	4.4
66.03471	1.9
71.01369	1.6
71.42068	1.3
74.02466	21.8
81.04602	1.5
82.02982	2.1
82.95396	1.7
85.02927	3.1
86.02475	7.1
86.06122	2.4
87.05622	4.5
96.96011	16.6
97.01144	1.3
97.04085	3.0
98.22406	1.1
99.05634	21.4
101.07184	3.1
101.17091	1.0
102.05613	3.6
105.04906	1.0
107.06265	1.3
109.04058	3.5
109.07689	1.6
111.05663	1.3
112.04025	2.5
118.52039	1.0
121.02945	3.8
123.05597	1.4
124.04048	1.3
125.00687	3.0
125.03526	2.8
126.02064	1.1
127.05116	3.7
128.03534	60.0
129.01942	1.4
135.05638	6.0
137.07208	1.7
141.06694	2.7
143.04620	71.3
144.04893	1.6
145.06163	3.1
146.04573	6.6
153.00153	43.5
153.06689	4.5
154.00948	13.4
166.09840	4.6
167.04579	3.2
167.08234	3.9
168.02507	5.9
169.06256	1.7
170.03328	1.5
171.04131	1.9
179.04607	17.8
181.06256	2.3
183.04849	1.4
185.05661	3.4
185.99973	1.8
191.01956	1.8
192.07724	1.6
197.05722	2.2
200.01480	2.9
210.08844	16.5
228.09946	2.1
232.89740	1.1
254.07813	53.0
272.08856	100.0
273.09140	3.1
319.04892	1.5
360.12598	5.8
504.17996	4.8
573.95581	1.3
615.21381	10.4
616.21088	1.3
633.11853	2.8
633.22302	54.4
634.22473	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45993	1.7
59.01371	7.1
61.98838	4.0
66.66057	1.7
69.50694	4.9
73.02968	1.6
78.91910	2.7
82.35451	1.5
86.94460	1.7
98.21928	4.0
101.02427	2.6
103.01498	3.0
108.02179	2.9
140.41290	1.7
165.06984	2.4
189.07028	4.7
205.06624	2.6
207.08267	2.1
223.13492	5.8
232.05272	7.1
233.06018	5.1
234.06897	3.0
235.07706	4.1
246.06931	3.1
247.07642	3.4
248.08353	4.9
249.05420	3.1
249.09203	3.6
250.06082	2.1
251.07079	2.4
259.07516	1.8
261.05542	6.6
262.06439	3.2
263.07062	3.1
264.04276	9.6
275.07156	11.4
277.05066	2.8
278.05865	6.8
279.06625	17.3
289.05191	3.2
290.05701	2.9
292.03665	5.7
293.08249	9.8
294.08969	7.9
303.06531	2.9
306.05301	3.8
307.06198	12.9
308.10468	25.2
309.11319	23.6
318.05325	2.8
321.07666	7.5
322.08438	5.1
332.06979	2.3
335.05579	4.9
335.09253	19.3
336.09946	4.8
337.10791	100.0
338.11099	5.1
349.07178	2.6
350.07935	2.0
365.10281	44.6
366.10535	3.8
367.08270	3.4
400.51462	2.3
409.09222	14.9
635.88495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36343	0.4
59.01364	0.7
59.32056	0.4
61.50716	0.4
61.98817	0.7
62.77759	0.4
69.10054	2.7
73.02943	1.1
75.00860	1.8
75.78176	0.4
78.95905	0.6
98.22618	1.0
99.00865	0.9
99.92579	12.2
100.55907	0.4
116.92858	100.0
116.97250	5.7
117.01913	2.8
117.05543	0.5
117.92880	2.4
131.39661	0.5
142.47704	0.4
160.67169	0.4
171.10201	0.6
209.11797	0.4
221.79608	0.5
280.55411	0.5
307.19296	0.4
309.20728	2.0
370.16656	0.4
459.88812	0.4
633.38824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01374	11.7
61.98827	3.3
65.12694	1.8
67.22105	1.7
70.04079	1.8
71.01389	2.7
71.05011	2.3
73.22657	1.6
78.95911	4.9
80.02689	1.9
83.05040	2.6
95.05023	2.2
96.96022	5.3
97.06577	3.5
99.92563	4.9
103.01492	4.9
108.02113	1.8
111.41717	1.7
115.92102	1.7
116.92869	16.4
117.03476	5.4
117.92860	8.5
118.92692	6.8
118.96960	5.4
119.04993	2.9
125.09712	5.6
127.07638	7.5
135.08156	2.7
137.09741	1.9
141.05580	2.9
141.09225	1.9
145.02957	18.7
153.09213	8.2
155.10774	2.1
160.84222	4.3
162.83910	4.5
163.11320	3.7
165.12886	3.2
171.10268	13.0
181.12312	3.2
185.11871	9.3
191.14441	3.8
196.89676	2.0
197.11789	12.3
207.10298	4.8
209.11839	39.6
238.12070	3.6
245.19083	6.7
279.19385	2.0
289.18097	36.9
290.18472	2.6
291.19739	3.2
305.17474	5.4
307.19138	100.0
308.19446	6.7
309.20602	8.5
325.20203	75.0
326.20572	4.1
418.18835	1.9
471.34967	3.3
597.37982	3.7
615.39001	5.3
633.21204	3.7
633.38013	28.3
634.18817	2.9
634.38342	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07418	0.2
59.01374	1.2
60.01730	0.2
61.01795	0.2
61.98830	100.0
65.69166	0.2
65.83553	0.2
68.50652	0.2
121.96576	0.2
130.22855	0.2
170.39503	0.2
336.09912	0.2
337.10571	0.2
338.11166	0.5
340.11710	0.2
366.10837	0.6
367.11017	0.4
410.09503	0.4
411.10291	0.2
412.10056	0.2
634.33575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85999	0.2
59.01377	4.5
60.01704	0.5
61.01790	0.5
61.98828	100.0
69.37148	0.5
69.37527	0.4
71.01382	0.3
85.02956	0.2
95.56642	0.2
98.22647	0.3
101.02505	0.2
102.37338	0.2
103.14023	0.2
125.52321	0.2
146.90755	0.2
174.24403	0.2
176.17506	0.2
271.09964	0.2
279.24026	0.2
306.95929	0.2
410.09732	0.5
411.10144	0.7
412.10330	0.7
578.18567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61672	0.2
51.81211	0.2
52.98476	0.2
56.97537	0.2
59.01374	1.6
61.98822	0.7
71.01390	0.7
73.02943	0.3
74.02483	0.4
75.00856	0.2
78.44428	0.2
85.02949	0.4
86.55548	0.2
89.02448	0.4
96.01993	0.2
96.96002	0.2
99.05654	0.2
99.98386	0.2
101.02465	0.3
113.02448	0.3
114.05589	0.3
116.13353	0.2
119.03448	0.2
122.06090	0.2
125.02290	0.2
128.03532	0.3
132.33470	0.2
141.18324	0.3
143.03615	0.2
143.04675	0.6
148.01472	0.2
151.00308	0.2
191.05560	0.3
239.03516	0.8
240.04239	0.9
267.02933	0.5
268.03760	52.0
269.04019	1.5
281.04575	0.3
283.06107	100.0
284.06439	3.0
306.07721	0.5
307.08014	0.5
533.22382	0.2
534.22797	0.5
598.60742	0.2
633.31299	0.8
634.30231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88784	0.1
52.00661	0.1
55.04896	0.2
59.01382	1.0
60.99258	0.2
61.88750	0.1
65.93461	0.1
71.01377	0.3
73.02945	0.2
74.32471	0.1
79.95739	1.4
85.02959	0.4
88.98788	0.5
93.24548	0.1
96.96013	100.0
97.96454	0.1
99.00915	0.2
101.02446	0.4
105.01971	0.2
116.92864	0.4
135.04523	0.2
147.06622	0.2
163.11485	0.1
173.04700	0.1
176.69598	0.1
179.03499	0.2
269.04510	0.2
287.09595	18.3
288.10004	0.6
413.01517	0.2
472.02255	0.2
505.22617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2507
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.95336	2.8
78.60723	0.9
115.20689	0.9
132.82635	0.9
225.61409	1.0
335.17480	4.0
415.15497	2.8
419.18442	2.4
429.17471	1.7
430.13953	1.8
431.19510	6.7
434.20673	1.3
444.15350	1.2
445.16565	3.4
458.17505	5.2
459.14148	1.8
459.18896	1.8
459.69104	1.1
471.18018	1.2
472.18646	1.1
473.20117	2.9
474.16425	9.7
475.17578	2.6
487.17728	4.2
488.18228	6.5
489.19186	5.0
490.20169	9.6
501.19388	2.2
504.21582	1.5
505.22739	6.4
516.18146	1.5
548.20624	1.2
559.23407	1.6
560.20782	2.4
575.22839	10.9
576.23743	7.0
603.22180	2.0
635.25085	100.0
636.25305	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22660	0.8
57.03453	5.9
59.01379	52.6
60.01686	1.0
61.98818	4.4
63.22581	0.9
66.82899	0.9
69.03446	6.4
70.40461	1.5
70.53844	0.8
71.01381	33.6
71.04997	2.2
72.01662	0.8
72.99315	1.3
73.02943	6.1
78.26194	0.9
81.03476	1.1
82.05627	0.8
82.95422	1.7
83.01390	1.4
85.02951	11.0
87.00854	2.3
89.02445	37.9
90.75071	1.0
93.03456	7.8
94.37591	1.0
95.01373	2.6
96.96005	1.4
97.02942	3.3
98.21903	1.1
99.00902	1.1
99.04520	8.7
101.02441	24.8
103.00346	1.2
103.04031	1.7
106.58411	0.9
111.00860	1.1
113.02447	13.0
116.92839	2.3
118.02826	0.9
119.03497	18.8
125.02438	17.4
131.03506	5.0
133.02928	4.1
135.04510	1.5
137.02425	10.5
139.04013	2.0
143.03505	5.7
147.06627	12.8
149.04539	2.4
158.59622	1.0
159.02887	0.9
161.04555	7.9
167.03476	1.0
177.01918	2.1
179.03421	1.5
179.05612	19.3
181.12421	1.2
190.84810	1.0
191.05583	1.5
221.06683	12.0
222.49672	0.9
251.16515	100.0
252.16829	4.2
263.07690	4.1
323.09808	47.4
324.09964	1.3
357.13776	1.1
591.32532	1.2
594.96002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89182	5.4
53.71145	6.0
59.01373	14.1
70.65935	11.0
71.01375	50.8
73.02963	5.0
75.29903	7.2
78.95887	12.3
79.95722	7.0
80.96511	40.8
81.03469	5.5
83.05022	7.7
85.02940	5.9
97.02936	12.6
97.06602	11.3
109.06593	60.3
121.10220	9.3
122.97388	5.9
135.08128	9.1
163.11302	35.5
164.98695	7.1
171.10249	32.2
181.12387	6.5
183.13861	7.5
199.09761	11.2
207.10255	97.3
208.10658	6.8
211.13377	26.0
225.00693	11.7
225.11320	35.4
275.20178	53.8
286.73291	5.9
293.21265	100.0
307.19028	7.8
327.21686	27.2
566.63129	6.5
577.26862	79.2
589.19232	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36631	1.7
59.01379	100.0
61.98820	7.9
65.59548	1.8
69.70530	6.4
71.01389	9.5
73.02947	2.6
78.74166	2.0
79.64398	1.7
83.01420	2.7
85.02950	6.1
89.02428	2.8
93.03452	1.9
101.02470	5.1
113.02473	6.1
115.04129	1.8
116.92833	2.1
137.02441	3.8
147.03482	1.9
161.04608	4.6
201.05069	1.7
351.08694	5.8
352.08926	4.0
357.13275	2.3
358.13773	5.5
551.24841	2.6
566.07349	2.2
592.33374	2.3
637.26953	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58573	0.8
59.01379	10.1
60.84790	0.8
60.99315	1.2
61.67284	0.8
61.98837	2.1
64.34743	0.9
70.17142	0.8
71.01381	3.2
73.02956	1.4
83.01329	0.9
85.02943	3.4
85.70643	0.8
88.98815	5.6
89.02428	2.4
93.03455	1.2
95.01350	0.9
96.96023	1.4
97.02953	0.8
99.45186	1.0
101.02426	2.3
105.83481	0.8
107.29809	0.8
109.02996	1.3
111.00864	1.5
111.04520	1.0
112.69955	0.8
113.02437	1.2
113.21657	0.8
113.73226	0.8
116.92850	2.0
124.01643	1.1
125.02428	4.2
126.90078	0.8
136.01743	1.2
137.02505	4.0
139.04018	2.7
150.03223	1.4
151.03992	3.8
152.04778	2.8
164.04756	2.1
165.05562	3.0
173.04507	1.1
177.05548	2.4
180.04237	3.7
186.12914	0.9
194.05867	9.8
195.06631	16.5
206.05879	1.3
209.08206	3.0
261.12274	1.0
299.09125	1.1
312.85611	0.9
329.06772	1.3
329.10330	18.3
341.10120	1.2
343.11841	2.9
359.11307	17.9
374.13687	17.3
389.16061	100.0
390.16348	5.0
577.27625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
56.76740	0.9
57.03422	1.5
59.01375	58.3
61.98824	2.0
69.99699	2.1
70.00014	1.5
70.33931	1.2
71.01379	56.6
72.99292	1.7
73.02943	17.8
75.60142	0.9
83.01363	7.0
85.02953	19.1
87.00877	6.1
88.98794	4.0
89.02441	56.8
95.01396	1.5
96.96016	7.2
97.02953	2.4
98.22408	2.7
99.00885	4.4
99.92590	2.7
101.02434	37.7
111.00832	1.1
113.02452	18.8
116.92858	21.9
117.01843	1.1
119.03493	11.5
125.02437	5.3
129.01857	1.6
131.03499	21.2
134.03734	2.2
143.03470	3.8
149.04530	22.0
150.03159	1.4
159.02972	1.9
161.04541	12.2
178.02661	1.3
179.05602	31.1
190.99939	1.1
191.01903	1.1
191.05626	8.2
193.05057	2.5
199.96896	1.0
206.08136	1.8
209.03018	1.9
210.38191	1.1
216.80858	1.1
221.06651	13.2
263.07776	5.2
269.10492	1.1
293.08984	1.3
337.17444	1.3
351.66135	1.1
415.16162	12.6
445.17371	8.5
475.12134	1.3
577.21338	100.0
578.21106	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84566	0.7
52.77171	0.5
59.01376	0.6
73.19793	0.6
84.93854	1.2
99.92582	100.0
100.92596	3.2
100.93363	4.6
112.18728	0.5
115.92075	9.1
116.92870	4.4
123.72686	0.5
141.93633	0.6
275.20364	0.8
277.21710	8.4
287.84213	0.5
308.05774	0.6
316.14981	0.7
342.12869	4.5
360.13968	32.8
361.14471	5.5
374.11752	0.7
375.12463	1.2
378.15018	0.7
393.13678	6.9
394.14066	0.7
487.27905	0.5
638.36395	52.1
639.36798	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1565
Annotation	Madreselvin A
Peak:m/z	Relative Intensity
59.01378	14.8
61.98802	0.8
62.34315	0.8
65.00330	1.2
71.43023	0.8
73.02947	1.1
73.69215	0.8
83.01372	1.1
85.02911	1.2
88.01772	0.8
89.02439	2.5
96.95950	1.1
101.02429	3.2
107.01369	1.8
113.02455	2.2
116.92853	4.0
148.01727	1.1
151.00366	6.3
154.30331	0.9
165.85780	0.9
167.05135	0.9
171.04506	1.1
175.03931	1.2
178.99890	1.3
183.04485	1.5
197.11833	2.2
199.04019	7.1
199.05594	1.2
211.13387	7.9
213.14951	1.5
215.03494	3.6
226.02721	1.7
227.03529	6.9
241.14438	4.2
242.02148	5.4
243.02975	36.5
244.03252	2.3
253.09200	1.4
253.14317	1.2
255.03004	12.3
257.04535	7.0
263.58356	1.0
269.10147	1.0
270.01740	7.2
270.13354	0.9
271.02475	44.5
272.03012	3.7
285.04047	11.9
286.04645	4.5
287.05569	1.7
299.01950	74.2
300.02649	19.8
313.03537	3.2
314.04309	83.7
315.05054	34.5
316.05582	1.9
447.22430	2.2
459.09488	2.1
477.23416	3.3
639.15656	100.0
640.15741	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15380	0.5
53.09527	0.4
55.01862	1.0
57.03435	1.7
59.01379	45.8
61.98824	1.5
71.01383	28.5
72.99284	0.8
73.02937	6.2
75.00866	0.7
83.01395	3.8
85.02949	11.5
85.69902	0.6
87.00876	1.6
88.98769	1.5
89.02448	20.1
91.02750	0.6
93.03493	0.6
95.01388	2.1
96.96014	1.6
97.02917	0.6
99.00874	2.7
101.01783	1.1
101.02441	19.4
107.62180	0.5
109.02967	0.6
109.58768	0.5
111.00883	0.8
113.02454	10.7
119.03517	7.6
125.02432	0.9
128.03499	0.6
129.01950	0.9
132.83691	0.6
143.03467	0.9
159.03032	1.5
161.04559	4.3
179.05669	2.4
179.07065	0.7
202.63092	0.5
212.32993	0.6
223.06108	0.5
317.52063	0.6
417.24960	8.1
579.30200	100.0
580.21729	0.4
580.30493	8.1
600.49719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25053	1.8
59.01384	10.0
61.98827	5.9
67.23106	1.6
70.95808	2.9
71.01361	2.9
82.95398	6.8
84.00911	6.9
85.02933	2.8
87.05647	6.2
96.96033	5.0
101.07128	1.9
109.04079	4.5
117.85283	1.5
122.04839	2.6
124.04032	6.3
126.90450	9.3
127.05150	29.4
128.03526	7.0
129.10368	10.0
130.08719	2.1
130.14598	1.9
136.11330	2.3
140.07188	5.4
140.44591	1.7
151.08789	3.4
154.96890	1.7
155.08311	2.2
155.11859	3.4
164.09549	2.4
165.10350	13.1
166.06189	5.4
167.04654	2.8
169.09892	2.8
179.11926	2.7
180.10243	3.0
182.12993	7.1
184.07275	16.0
186.12407	3.2
195.11348	3.8
196.14426	1.7
198.08896	4.0
198.10693	1.7
200.14034	21.3
207.15045	7.0
222.12477	29.4
223.10881	7.1
224.17795	3.0
225.16022	2.6
226.11996	3.5
240.13510	38.8
242.18732	4.7
257.16125	2.2
268.20319	3.0
292.20477	3.3
295.21503	6.2
353.21768	4.3
368.19241	8.6
379.08176	8.0
406.53250	1.8
410.24084	42.4
424.25656	57.2
425.25983	3.0
492.31891	4.3
577.33612	36.5
578.34235	3.0
595.34644	71.5
596.35028	7.1
621.36548	4.0
639.37274	100.0
640.37469	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.6
59.01379	14.8
67.01888	0.7
69.03452	0.7
71.01381	9.4
72.99287	0.8
73.02949	2.1
74.02475	1.8
81.03456	2.2
83.01387	1.6
85.02941	2.8
87.00859	1.1
89.02457	4.7
91.01850	1.0
93.03497	0.8
95.01393	1.2
96.95974	1.0
97.02931	1.2
99.00880	0.8
99.05630	1.2
101.02444	7.0
103.01479	1.4
105.90733	0.6
107.01387	3.5
108.02173	24.4
108.63982	0.6
109.02962	7.4
109.06613	0.9
111.00864	1.1
113.02456	4.1
119.03518	1.3
121.02950	1.5
123.00877	1.7
123.04529	16.9
125.02423	2.9
130.26622	0.6
136.01686	0.6
143.03539	1.2
143.04623	5.2
150.03232	0.8
151.00406	5.6
151.11259	0.6
152.01151	47.3
153.01936	20.6
161.04588	0.7
162.53374	0.6
163.11273	0.9
163.29137	0.5
165.05609	1.2
166.02711	8.4
167.03491	75.4
168.03885	1.2
171.10251	7.7
173.38046	0.6
177.01881	0.6
177.03371	10.9
179.03441	0.7
179.05736	1.0
181.05086	5.1
181.12354	0.6
194.02277	1.0
195.02971	1.0
195.10298	1.3
197.11815	0.8
201.11354	2.3
207.10274	3.2
209.02815	0.9
209.04550	4.9
214.01909	0.6
221.04578	0.8
225.11316	10.4
235.08464	0.7
235.56918	0.6
237.04103	0.7
239.09221	4.9
243.12340	1.4
296.05252	2.8
297.06143	14.4
311.07715	16.1
354.47339	0.6
362.74167	0.6
397.13419	8.9
411.83661	0.7
415.14511	6.1
479.11923	100.0
480.12274	6.4
499.11435	1.1
521.13037	4.2
569.24438	0.9
581.24353	1.0
597.22870	0.7
599.25787	0.9
623.25964	3.3
641.17090	4.3
641.26074	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.1
61.98815	6.4
63.30227	1.8
68.80104	1.7
71.01365	2.2
79.95769	3.4
80.05059	8.7
80.29757	1.8
80.96518	7.1
94.98095	2.0
104.05081	3.3
106.06607	3.1
107.03759	6.4
120.08176	2.8
121.05338	2.4
122.06122	32.4
124.07668	2.1
134.06100	11.5
148.04086	2.9
152.07172	40.9
160.06416	7.9
164.07002	2.1
174.05589	5.5
191.05576	5.9
213.10330	32.2
225.00731	2.0
226.11147	4.2
239.11974	19.1
241.13467	16.9
245.12920	8.4
251.11826	2.6
265.09683	4.4
285.12436	57.6
286.12653	2.3
293.12912	8.2
295.10782	5.0
301.11844	2.4
313.11914	4.5
316.14429	3.7
323.10202	10.7
325.11880	2.6
328.10867	3.5
342.12500	3.6
343.13104	2.7
355.12866	8.1
357.14700	4.5
358.15524	14.1
370.11877	2.6
384.13480	6.3
400.16605	19.0
412.16516	7.2
471.15378	7.1
497.25525	2.3
523.23389	14.4
565.24567	88.7
566.24933	9.9
591.22827	3.2
597.27161	2.5
609.23529	100.0
610.23877	7.7
641.25751	30.8
641.37305	2.9
642.26550	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76526	0.7
57.03438	1.0
59.01380	20.5
61.57275	0.7
61.98826	1.1
70.09406	2.0
71.01378	13.1
71.05011	1.5
73.02929	3.4
78.95914	1.1
83.01396	1.3
83.04990	0.9
85.02932	4.9
87.00855	2.8
89.02438	9.8
93.03448	1.2
97.02937	5.2
97.06575	1.2
99.00880	11.9
101.02442	8.5
110.03691	1.7
113.02446	2.9
119.03487	3.7
125.02428	1.9
125.09690	2.9
127.11291	1.6
133.02959	2.3
137.02408	1.1
161.04591	1.2
163.11305	7.8
165.05544	0.9
171.10243	2.5
175.03990	1.2
177.01880	1.8
179.05542	1.2
181.12350	15.3
190.06337	1.4
197.11874	1.9
199.13380	17.4
200.13669	1.2
205.08669	1.4
207.10255	30.0
208.07408	1.5
221.06575	1.1
225.11314	57.0
226.11743	1.9
235.08224	1.5
238.69177	0.8
243.12372	20.3
315.38528	0.9
389.16095	7.0
397.13394	3.4
415.14755	3.7
419.17169	1.3
437.29977	0.9
569.24280	1.2
623.25696	13.4
624.26727	1.4
641.26581	100.0
642.27136	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76526	0.7
57.03438	1.0
59.01380	20.5
61.57275	0.7
61.98826	1.1
70.09406	2.0
71.01378	13.1
71.05011	1.5
73.02929	3.4
78.95914	1.1
83.01396	1.3
83.04990	0.9
85.02932	4.9
87.00855	2.8
89.02438	9.8
93.03448	1.2
97.02937	5.2
97.06575	1.2
99.00880	11.9
101.02442	8.5
110.03691	1.7
113.02446	2.9
119.03487	3.7
125.02428	1.9
125.09690	2.9
127.11291	1.6
133.02959	2.3
137.02408	1.1
161.04591	1.2
163.11305	7.8
165.05544	0.9
171.10243	2.5
175.03990	1.2
177.01880	1.8
179.05542	1.2
181.12350	15.3
190.06337	1.4
197.11874	1.9
199.13380	17.4
200.13669	1.2
205.08669	1.4
207.10255	30.0
208.07408	1.5
221.06575	1.1
225.11314	57.0
226.11743	1.9
235.08224	1.5
238.69177	0.8
243.12372	20.3
315.38528	0.9
389.16095	7.0
397.13394	3.4
415.14755	3.7
419.17169	1.3
437.29977	0.9
569.24280	1.2
623.25696	13.4
624.26727	1.4
641.26581	100.0
642.27136	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96297	0.2
52.12191	0.2
52.56006	0.2
52.63901	0.2
55.01878	1.8
56.99817	0.2
57.03447	1.0
58.00587	0.4
59.01379	100.0
60.01714	0.5
60.99303	0.5
61.03798	0.2
69.07331	1.8
69.07648	0.5
71.01381	26.6
72.99306	0.5
73.02946	8.5
78.91904	0.5
83.01392	3.1
85.02948	11.2
87.00877	1.4
88.98808	3.2
89.02447	8.3
95.01395	1.2
97.02950	0.7
99.00878	3.3
101.02443	21.5
102.02768	0.3
105.19304	0.3
106.43512	0.3
113.02450	12.6
114.02785	0.4
115.59778	0.3
119.03508	3.3
125.02474	0.8
129.01912	0.4
131.03535	0.4
143.03520	1.9
149.04553	0.3
159.02995	4.4
159.04218	0.3
161.04555	19.8
164.28786	0.3
175.03951	0.3
179.05692	0.9
184.37563	0.3
225.76137	0.2
326.11603	0.4
341.14066	1.1
356.16254	1.4
371.18826	0.4
405.19440	0.4
419.20703	4.3
419.25763	0.3
486.71930	0.3
527.73456	0.3
581.26105	7.7
582.26782	0.6
601.70148	0.3
641.25867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01379	9.0
61.98833	9.5
63.68703	0.6
71.01389	2.8
73.02933	1.4
75.00892	0.8
78.95910	1.5
79.95740	0.8
80.96524	1.1
82.33350	0.7
84.02155	0.7
85.02956	2.4
87.00868	1.2
88.98807	1.2
89.02443	0.9
93.03413	0.8
95.01392	0.8
96.96009	15.7
96.96955	0.8
98.95583	7.1
98.96167	0.7
98.96465	0.8
99.00875	2.0
99.92562	0.8
100.93340	2.4
101.02438	2.0
103.01495	2.9
113.02448	1.8
115.92082	3.9
116.92849	2.3
121.06602	1.2
123.08207	0.7
131.36435	0.6
135.04526	1.5
136.05296	25.9
149.06050	4.7
150.06857	2.9
152.07158	0.8
161.04433	1.2
163.07645	0.8
164.08409	2.5
165.09204	24.5
166.09457	1.2
169.07443	0.7
191.05646	1.4
227.12872	0.8
229.10847	1.2
242.96004	1.0
278.18942	0.7
306.18207	0.8
321.07349	1.0
321.20654	2.7
343.21225	6.2
350.21106	3.2
364.02298	0.7
427.28748	2.0
445.29572	2.0
463.30643	5.5
491.30145	2.9
493.95911	0.7
500.67789	0.8
508.30511	1.9
509.23434	1.2
509.31161	34.4
510.31143	3.7
641.35437	100.0
642.35834	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.1
67.01903	1.6
69.03447	8.0
69.09669	9.2
83.05012	1.7
85.02951	2.1
88.42258	1.6
97.02942	61.5
97.06565	1.6
98.21822	2.8
119.08626	1.5
122.76071	1.5
137.09700	15.7
171.10251	17.4
177.12706	1.7
193.08421	19.8
194.08925	1.6
195.13876	2.8
205.15903	3.8
207.10011	4.5
209.00247	1.7
211.13402	2.1
215.10649	4.1
217.12158	1.9
221.11720	2.6
239.12927	2.4
245.11517	8.4
251.16484	4.3
255.13644	2.0
262.11816	3.8
273.14706	29.1
273.17905	1.9
273.18893	1.7
287.16220	2.5
291.19650	11.5
294.10507	2.4
309.20691	100.0
310.21152	2.9
313.17792	8.4
331.18866	26.4
348.95041	1.6
538.09778	2.5
641.40210	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78564	0.7
54.14857	0.6
57.03431	2.2
59.01376	1.1
61.98838	3.9
69.03442	1.4
69.85009	1.0
69.85350	1.7
71.05016	1.4
77.71745	0.7
91.81424	0.7
95.05041	1.2
97.02915	1.5
97.06575	1.5
98.22528	0.8
111.08165	17.0
116.07273	0.6
127.07645	1.8
137.09686	0.9
147.11806	5.2
151.11250	1.1
153.12807	2.0
165.12825	5.2
169.12340	8.2
179.10687	0.8
181.12268	1.2
187.11118	0.8
191.10770	1.2
193.12360	0.8
197.11829	73.4
198.12184	1.8
199.13382	2.4
205.12175	1.3
209.11732	0.7
209.15506	2.8
211.13431	4.7
215.10524	8.8
219.10030	4.5
223.17006	2.0
227.12886	2.2
233.11581	74.8
234.11909	3.0
251.16548	2.7
263.20151	2.7
265.18085	1.9
273.14645	1.5
273.18564	1.4
291.19687	15.5
292.19757	0.8
309.20715	100.0
310.20999	4.2
313.17877	8.0
320.12674	0.8
331.18924	13.9
389.06064	0.8
445.24518	1.6
641.40247	17.7
642.40314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.7
69.03446	1.5
69.60452	2.1
70.72449	0.6
78.82296	0.8
79.72752	0.6
83.05010	1.3
97.06583	0.9
102.16673	0.6
109.06583	1.3
110.92910	0.8
111.08153	22.8
127.07652	1.2
147.11786	1.1
149.09663	0.6
151.11313	4.0
153.12823	1.3
165.12761	3.2
169.12332	5.8
181.12444	1.1
181.60236	0.6
183.13879	1.1
191.10532	1.0
197.11813	62.2
198.12054	0.9
199.13359	2.6
205.12259	1.0
205.15770	0.7
211.13382	6.0
215.10489	2.6
217.08490	1.6
219.10001	41.9
221.11655	0.9
231.09955	0.8
233.11559	19.3
248.97281	0.6
261.03571	0.6
263.20221	3.4
265.18228	0.8
273.18729	0.9
287.16159	0.9
291.19614	11.7
292.20093	0.8
309.20688	100.0
310.21097	3.5
313.17776	1.2
331.18878	29.7
332.18924	1.1
375.17709	1.3
445.24417	0.8
522.47430	0.6
576.53009	0.7
641.40155	14.2
642.40570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.6
59.16686	1.5
69.03455	3.8
73.40459	1.4
97.02950	25.3
125.09735	1.6
139.11255	2.3
145.34982	1.5
152.65273	1.7
178.02524	4.1
188.43176	1.4
191.03271	3.4
209.07999	1.8
211.13306	2.0
219.06404	3.1
233.11566	2.5
247.20471	1.7
260.10315	1.9
261.11038	11.6
262.11850	98.7
263.12283	3.2
271.16895	1.4
291.19571	5.1
293.21109	1.9
294.10971	1.8
307.19241	12.0
309.20618	13.5
311.22110	8.0
329.17371	13.4
331.18896	100.0
332.19122	4.2
333.20389	6.1
468.61563	1.5
641.26831	1.8
641.39728	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51503	1.3
71.28938	1.5
78.80057	1.3
84.93897	1.3
90.98909	1.3
99.92587	100.0
100.92624	1.9
100.93353	4.6
112.03986	1.3
115.92084	10.2
116.92850	3.9
133.53229	1.2
135.24741	1.2
140.14854	1.4
192.30214	1.4
279.23264	11.2
339.49030	1.5
352.00882	1.6
362.15521	28.2
363.15845	4.1
363.27173	1.5
395.14923	2.8
642.39508	52.4
643.39862	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	10.6
67.01878	9.6
70.28197	10.1
71.01353	5.4
81.05077	4.3
87.00886	15.2
93.03458	100.0
96.95979	5.4
98.21863	4.3
111.04514	10.4
121.02944	5.8
134.03731	10.2
135.04509	10.0
155.03487	4.7
173.04541	61.1
191.05594	7.4
231.76834	4.9
291.19690	6.9
331.18924	50.9
332.19278	69.9
333.19446	10.6
469.22177	6.3
642.26886	8.1
642.39203	17.2
643.27637	75.4
643.38342	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00146	0.6
59.01376	100.0
60.01725	0.8
60.99299	7.3
87.00874	1.8
88.98798	47.4
89.02439	26.5
89.03002	1.0
96.96052	0.6
180.06250	0.6
191.05611	1.1
215.03477	0.8
232.96669	0.6
233.08263	0.9
257.08270	1.0
270.09134	1.6
297.11407	1.3
298.08420	15.7
298.11520	0.9
299.09085	2.1
313.11041	1.0
323.09222	1.0
340.09576	0.7
341.10263	37.4
342.10608	1.9
379.08301	3.4
383.11459	1.2
400.11157	0.9
443.13452	15.8
444.14209	1.5
503.15567	19.9
504.15939	1.2
563.17596	10.9
564.17896	0.9
643.13190	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09834	0.4
59.01378	100.0
59.03741	0.4
60.01712	0.5
60.89583	0.4
70.29679	0.9
70.30022	0.6
79.69485	0.4
84.84293	0.4
98.22057	0.4
116.33160	0.4
170.44611	0.4
171.04527	0.7
215.03606	0.7
216.00632	0.6
220.36288	0.5
233.08151	1.0
254.09450	0.4
257.08298	2.0
267.10214	0.5
269.08151	0.6
270.09079	1.4
271.09866	1.0
283.06110	1.0
295.10040	0.7
297.11218	1.9
298.08453	15.6
299.09027	2.0
309.11081	0.5
312.10083	0.6
313.10788	1.1
323.09372	0.7
340.09415	0.8
341.10281	34.1
342.10617	2.8
383.11288	1.2
400.11777	1.1
401.12393	0.6
443.13437	14.2
444.13919	1.1
503.15582	19.4
504.16257	1.5
563.17621	10.6
564.18506	1.1
643.13483	4.7
644.13239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34359	0.4
56.04569	0.4
57.03484	0.4
59.01378	100.0
60.01727	0.8
61.98836	0.5
69.84915	1.3
96.92559	0.5
98.21997	0.5
110.70950	0.4
123.00745	0.4
124.07121	0.4
128.85072	0.4
226.06326	1.0
227.03452	0.4
228.04352	0.7
233.08214	0.6
241.05025	0.6
255.10324	2.0
257.08145	5.3
269.04605	0.8
269.08130	0.7
270.08994	2.5
271.09787	1.6
281.08289	0.5
283.05991	0.7
297.11374	0.9
298.08459	13.7
299.09219	8.2
313.10864	2.3
323.09186	1.9
341.10263	23.8
342.10568	1.5
383.11258	1.7
401.12335	0.7
443.13412	2.7
503.15604	58.6
504.15863	3.3
563.17694	18.6
564.18164	1.3
643.13342	5.5
644.13843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08441	0.2
61.86670	0.3
104.13649	0.3
219.04521	0.9
232.05376	0.5
233.06006	0.6
234.06737	0.8
245.06052	0.4
247.03981	3.0
247.07742	0.7
248.04604	0.6
248.08440	2.6
249.05536	0.7
249.09213	2.4
258.03162	0.9
260.04831	2.2
261.05585	3.9
262.06232	1.6
263.07202	0.7
264.08038	0.3
273.05594	3.9
274.06259	0.9
275.03537	7.5
275.07111	1.3
276.04239	5.2
276.07840	1.8
277.04999	2.9
277.08655	1.7
288.04315	1.0
289.05075	15.8
290.05838	13.4
291.06607	4.6
292.07355	1.8
293.08215	0.8
302.05658	0.5
303.06696	0.3
304.03769	14.8
304.07416	6.7
305.04517	6.8
305.08176	3.7
306.05344	0.3
306.08902	0.7
308.06860	0.7
319.06104	31.4
320.06717	4.8
334.08441	4.2
335.09094	0.8
336.06406	0.6
338.07846	0.4
350.94324	0.3
364.05884	6.8
365.06039	0.4
366.07425	4.4
379.08212	100.0
380.08597	7.0
456.40668	0.3
580.26147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1666
Annotation	Majidine
Peak:m/z	Relative Intensity
59.01382	0.8
69.52394	0.4
71.01352	0.1
74.24007	0.1
83.03043	0.1
99.00874	0.1
101.02370	0.1
131.03537	0.3
132.89070	0.1
205.06651	0.2
211.13367	0.1
219.04503	0.8
219.08032	0.1
221.06125	0.2
232.05272	0.5
233.06113	0.9
234.06877	0.7
235.04118	0.1
237.05473	0.1
245.06033	0.5
246.06839	0.3
247.03972	2.8
247.07719	0.4
248.04738	0.5
248.08408	2.2
249.05525	0.9
249.09206	1.9
253.05014	0.3
258.03146	1.1
259.03775	0.2
260.04776	2.3
261.05521	4.1
262.06314	1.9
263.07080	0.8
264.04514	0.1
264.07666	0.2
273.05536	3.0
274.02856	0.1
274.06180	0.7
275.03506	7.0
275.07010	0.9
276.04260	4.7
276.07834	0.9
277.05048	2.6
277.08643	1.2
287.03296	0.1
288.04312	0.9
289.05066	12.8
290.05804	10.4
291.06567	5.2
292.07376	1.6
293.04779	0.2
293.08157	0.4
302.05908	0.5
303.06656	0.1
304.03763	14.1
304.07410	5.1
305.04483	5.8
305.08148	3.1
306.05075	0.3
306.08859	0.5
307.09818	0.1
308.07062	0.6
308.09854	0.1
319.06097	26.4
320.06702	4.1
321.03983	0.4
321.07385	0.2
322.04849	0.1
334.08435	3.2
335.09119	0.9
336.06277	0.5
338.07956	0.4
364.05893	5.4
365.06192	0.5
366.02802	0.2
366.07443	3.5
367.07736	0.2
379.08203	100.0
380.08539	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04818	0.5
61.98801	1.0
69.91731	1.1
73.02933	1.2
76.02145	0.5
77.78988	0.5
86.49684	0.5
98.16592	0.5
109.93790	0.6
299.04346	0.8
346.03638	0.7
437.15631	0.6
452.11142	1.3
453.11789	0.9
455.17215	1.0
464.15100	0.8
465.15796	0.8
467.13428	1.3
468.14133	0.7
473.18304	0.8
479.17249	0.8
480.18320	1.1
481.11343	1.5
481.18854	1.3
495.16919	1.1
496.13379	5.2
497.14807	2.5
507.16699	2.3
508.17551	4.1
510.15201	5.8
511.15869	10.4
512.16962	2.5
513.17987	1.4
523.20142	2.9
528.15814	0.6
538.14655	2.8
539.15698	0.8
540.16296	0.7
544.16681	2.9
549.17999	0.7
553.16870	1.8
567.18292	0.7
570.17560	1.9
571.18359	4.4
572.18616	0.7
583.18359	1.6
599.21027	0.8
643.20459	100.0
644.20544	14.7
649.72650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72350	3.1
59.01374	4.2
61.98827	3.8
69.03424	4.4
69.69365	10.0
69.76947	3.6
71.01391	3.2
79.95693	3.6
80.96516	7.7
85.02927	5.3
93.03452	9.4
97.02927	13.8
111.00909	3.4
135.04453	7.8
137.09689	5.9
148.03717	3.0
171.10222	7.3
173.04526	6.9
191.05606	34.6
203.18188	3.5
207.09991	9.9
223.13319	8.5
225.00644	4.8
233.11555	7.7
247.20627	6.5
263.12604	6.8
291.19644	9.5
292.19946	7.2
293.20871	13.1
309.20569	17.7
310.20959	11.9
311.22168	29.0
315.19345	100.0
333.20453	21.4
451.21011	4.7
471.15344	7.3
603.18469	4.1
643.26648	14.9
643.40289	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.37
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69783	0.4
57.03451	0.4
59.01382	6.6
61.29745	0.3
61.98837	2.4
69.03453	0.4
71.01383	3.0
71.44248	0.4
73.02949	0.8
78.95914	1.1
80.02682	1.3
81.03468	1.5
82.04144	0.4
83.01404	0.8
83.05034	5.7
83.70792	0.4
84.02167	1.6
85.02960	2.0
87.00892	0.5
88.55655	0.4
89.02455	1.5
93.03419	0.5
95.05019	0.8
96.96017	1.0
97.89870	0.4
101.02435	2.2
108.02167	0.4
113.02435	0.6
116.60922	0.4
117.08184	0.4
119.03495	1.2
128.03519	0.4
134.03802	0.4
135.04547	0.5
135.08171	0.7
136.05309	0.8
137.02483	0.4
145.67819	0.4
150.03270	0.5
161.02461	0.5
161.04625	0.6
163.11319	4.2
165.09204	0.8
165.12846	3.1
171.10355	0.4
179.05646	0.8
181.12370	0.5
191.10786	1.1
195.06656	0.6
209.11839	100.0
210.12190	3.0
227.12903	41.6
228.13304	0.6
349.07303	1.1
421.21304	0.5
433.20786	0.6
481.31702	2.0
583.25983	4.1
636.95679	0.4
643.27502	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36123	1.3
52.43227	1.3
57.03439	1.7
58.07425	1.5
59.01374	99.2
61.98822	7.6
63.89082	1.4
69.03465	2.3
71.01383	33.5
73.02942	82.3
75.00859	2.6
78.44696	1.4
83.01378	14.7
85.02950	6.2
87.00855	1.7
88.98796	1.3
89.02428	6.0
96.95972	2.1
97.02929	2.0
99.00859	1.7
101.02440	46.0
113.02451	14.0
115.15935	1.5
119.03485	3.4
125.02438	3.3
130.25726	1.4
131.03496	4.0
143.03448	3.6
149.04536	6.0
155.03539	2.9
161.04576	14.8
191.05641	1.9
203.05620	2.2
321.07825	2.4
335.05423	2.0
337.07193	11.9
364.08875	1.6
365.06488	3.5
452.21402	2.3
487.80298	1.8
541.13452	100.0
542.13861	6.1
644.36414	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94703	0.1
59.01378	2.4
60.01698	0.3
61.01802	0.2
61.98828	100.0
69.29884	0.5
71.01383	0.6
72.01714	0.1
73.02953	0.3
82.95405	0.2
85.02947	0.3
89.02441	0.3
101.02467	0.4
102.02784	0.2
113.02474	0.3
161.04533	0.3
162.04921	0.2
209.11829	0.3
405.07471	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99753	0.5
59.01389	2.0
61.98830	1.2
65.00326	0.7
69.65491	1.0
69.65872	1.2
77.86953	0.6
83.01391	0.8
84.67532	0.6
85.02953	1.1
96.95987	0.7
107.01410	1.5
115.98775	0.5
129.11482	0.5
132.02151	1.0
135.00925	1.0
142.87424	0.6
151.00394	3.0
163.00369	0.9
178.80894	0.6
178.99841	1.0
183.04622	0.7
185.06114	1.2
187.03932	0.9
197.93401	0.7
199.03932	0.8
200.69533	0.7
211.04007	1.8
213.05583	1.0
213.08806	0.6
227.03499	32.3
228.03981	1.5
229.05025	5.6
239.03410	1.1
241.05042	1.1
255.02980	58.6
256.03586	5.0
257.04517	4.0
267.02737	0.7
283.02472	1.8
284.03275	92.9
285.04028	40.9
285.07242	1.3
286.04425	2.6
429.08154	0.9
447.15042	0.8
560.52679	0.7
609.14575	100.0
610.15033	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20557	2.2
58.64662	2.2
59.77927	2.4
67.80180	1.9
69.12405	4.4
69.12697	14.5
69.56567	2.4
75.00469	4.1
75.00869	56.4
78.95897	5.8
89.07001	2.4
89.07643	2.4
96.94257	2.1
98.22596	5.5
103.00369	74.6
106.60628	2.3
128.90143	12.1
152.99561	3.3
158.30507	2.5
441.19241	6.4
453.58640	2.4
454.19955	3.3
469.22433	50.4
470.22980	7.0
479.21161	6.1
481.19431	2.8
481.25775	5.9
482.20200	13.0
483.19858	2.9
486.19019	21.3
487.19321	7.2
496.17471	10.2
497.22043	79.3
498.15494	9.8
498.22516	9.7
502.18817	2.5
510.18967	9.1
512.17114	21.1
513.17407	15.3
514.18427	13.5
525.21643	7.8
528.16284	2.7
529.21570	3.5
530.21606	5.5
541.20795	18.1
542.21161	5.4
569.20416	21.5
573.23749	21.5
585.19934	36.5
586.20422	29.7
587.20837	3.7
601.23029	67.4
602.23315	10.0
613.19226	15.4
618.19904	5.5
645.22028	100.0
646.22266	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01376	1.5
60.01553	0.4
60.99292	0.9
67.01889	2.0
69.03458	0.7
70.25735	0.4
70.26062	0.4
71.01388	2.0
81.03458	0.7
83.04999	0.4
85.02951	6.9
87.00867	3.2
93.03458	15.7
99.04481	0.4
108.02162	1.5
109.02954	1.5
111.00906	0.4
111.04518	2.9
121.02867	0.4
122.03762	0.6
124.01709	0.8
125.02467	0.5
127.04002	1.6
133.02963	2.2
134.03746	2.2
135.04524	30.7
136.05350	3.4
137.02426	0.9
150.03189	0.9
151.04022	1.3
152.60327	0.4
155.03473	1.2
160.01691	0.6
161.02458	4.3
171.02937	0.4
173.04553	15.0
174.03163	0.5
178.02724	0.8
179.03488	13.6
180.04135	0.8
191.05609	100.0
192.05914	1.4
216.45715	0.4
307.08182	1.1
308.08939	3.0
331.19089	0.5
351.07138	0.5
352.07892	2.5
353.08755	7.6
375.06467	0.4
384.15585	0.6
409.23804	2.1
427.24820	1.3
447.91519	0.4
453.22876	5.8
471.23712	2.2
480.54520	0.4
645.29144	32.4
646.29340	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
61.98831	2.7
71.01385	2.1
85.02948	11.9
87.00882	1.9
90.95029	1.3
93.03457	5.2
97.60673	1.3
108.02173	2.2
109.10303	1.4
113.02608	1.3
121.02985	1.9
124.01680	3.1
125.02451	2.1
125.69631	1.3
126.03259	1.6
127.04005	1.9
132.02133	3.2
134.03740	5.8
135.04523	72.4
136.05287	5.7
137.02425	1.9
150.03229	1.7
151.04047	7.5
157.29416	1.4
160.01663	4.5
161.02455	2.8
173.04533	3.5
178.26103	1.4
179.03479	16.5
180.04358	3.1
191.05611	100.0
192.05989	3.9
197.06041	1.7
211.07800	3.6
307.08243	4.7
308.08975	16.5
352.07971	11.6
384.15921	1.6
395.18488	4.0
409.23755	5.6
427.24698	1.8
435.21646	2.6
439.54868	1.5
453.22824	35.4
454.23029	3.1
645.29193	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.387
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95535	0.3
64.24485	0.3
69.15489	0.6
69.15890	1.1
71.01385	0.4
81.03464	0.3
83.05035	1.0
85.02937	0.4
89.03982	3.0
96.96001	0.5
106.04216	0.5
117.03468	8.9
129.32736	0.3
129.67285	0.3
134.03745	91.1
135.04068	2.2
137.02438	0.4
149.06093	6.5
149.09773	0.4
161.78212	0.3
178.02724	1.2
179.02232	0.3
193.05058	100.0
194.05396	3.6
225.16141	0.9
233.57140	0.3
321.66968	0.3
390.42239	0.3
433.31763	0.6
451.32904	16.4
452.33047	1.4
645.38867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37959	0.3
61.98827	100.0
67.73886	0.2
69.04756	1.2
82.70004	0.2
144.46992	0.2
153.51367	0.2
172.18802	0.2
196.83032	0.3
200.23772	0.3
494.27823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66505	0.9
59.01380	37.2
68.81631	1.0
70.98365	1.3
81.03478	1.2
85.02966	2.3
95.05055	1.2
96.96007	3.0
99.00850	1.1
105.03455	1.1
109.03035	1.1
115.05478	1.4
119.05044	2.9
121.02961	1.4
123.04536	4.3
125.02417	5.1
133.02986	1.5
135.04495	1.8
143.04988	5.2
145.02934	3.7
145.06528	1.5
146.03731	1.5
147.04526	8.1
149.02443	16.8
151.03992	2.3
159.04498	4.5
161.02432	3.1
161.06013	2.1
163.00282	1.5
163.03970	4.0
164.01180	2.4
165.01740	1.0
165.05559	3.7
171.04489	4.2
173.02458	2.9
174.03218	7.7
175.03984	13.0
179.03505	2.9
185.02408	1.0
187.04010	42.4
188.04565	2.0
188.55904	1.1
189.05524	5.8
190.02710	23.0
191.03503	16.2
202.02702	2.6
203.03419	1.3
205.05031	3.6
214.02698	2.3
215.03506	27.6
219.02893	1.4
231.06612	2.3
232.03748	2.0
233.04547	60.6
234.04878	2.3
247.06177	2.1
257.04520	2.8
259.02399	1.5
260.03271	1.3
275.05600	42.1
276.05920	2.0
293.06696	4.7
320.05405	2.0
327.08652	2.6
335.07733	49.9
336.07916	2.8
345.09778	12.9
355.55267	1.3
387.10910	10.2
395.09811	11.2
396.09738	1.2
447.12933	29.4
448.12958	1.5
455.11899	7.9
507.15045	100.0
508.15378	8.4
525.17145	1.2
567.17175	45.5
568.17456	4.6
647.13165	7.3
674.43011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	64.6
61.98824	2.2
64.40830	0.8
67.57152	0.8
69.03460	1.1
70.29442	1.8
71.01386	11.4
73.02946	4.8
85.02947	2.5
89.02451	21.5
96.96016	100.0
97.02897	1.0
98.95583	0.9
99.00866	5.1
101.02448	8.0
113.02448	1.5
116.92846	1.5
122.13342	0.8
125.02444	4.4
131.03477	3.3
147.92337	0.9
147.98428	0.8
149.04550	10.7
161.13388	5.9
167.03433	1.4
187.11261	7.5
191.05591	2.6
205.12335	26.5
209.78958	0.9
221.06711	1.0
223.13353	2.0
229.12346	1.8
233.06711	1.2
249.11345	10.4
265.14450	2.4
267.12466	1.3
273.05838	0.9
275.07632	0.9
287.09601	21.7
288.09885	1.0
291.12576	0.8
293.08804	3.8
309.13461	30.9
309.42596	0.8
310.13794	1.5
543.20496	3.2
561.05328	0.9
603.23047	2.6
611.20782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.9
59.15758	0.4
69.12785	2.9
71.01378	8.7
73.02934	3.4
79.95741	1.4
85.02936	1.2
89.02445	14.8
96.96009	100.0
98.21916	0.9
99.00872	4.8
101.02447	5.5
103.00390	0.5
113.02431	1.2
120.05744	0.5
125.02450	2.8
126.05727	0.5
131.03499	1.9
141.66933	0.4
143.03481	0.7
149.04553	8.2
161.13367	3.6
167.79626	0.6
187.11256	7.1
191.05531	2.4
204.98117	0.4
205.12334	12.0
221.06651	1.1
223.13400	1.1
229.12222	1.1
233.06654	0.8
239.69998	0.5
249.11340	2.9
251.07602	0.8
265.14343	2.3
267.12479	0.6
275.07648	0.6
287.09598	25.2
291.12570	0.6
293.08786	2.8
297.35638	0.5
309.13422	14.7
311.09933	0.7
466.07693	0.6
543.20789	1.6
603.22968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69940	0.9
59.01377	100.0
60.01689	1.0
69.03445	1.2
69.20776	5.4
71.01374	18.5
73.02941	8.7
85.02940	3.3
88.02547	0.9
89.02441	29.7
91.13811	0.9
97.02955	1.5
99.00872	10.7
99.04499	1.2
101.02448	10.4
103.00389	1.4
107.04995	1.0
113.02446	1.9
114.58724	0.9
120.32144	1.1
125.02448	5.3
131.03503	3.8
143.03336	1.3
149.04544	13.5
161.13345	9.5
184.92665	1.0
187.11292	6.9
191.05609	4.5
205.12320	43.0
206.12683	1.3
223.13339	3.3
249.11340	12.3
251.07645	1.5
265.14417	2.9
267.12277	2.1
293.08777	5.0
309.13416	62.4
310.13754	1.5
311.09827	1.4
537.92963	0.9
543.20758	3.9
544.20868	1.5
561.21643	1.6
603.22955	5.5
631.61127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
57.03439	3.0
59.01380	88.5
61.98828	5.4
67.92091	2.1
69.03429	2.1
71.01379	42.1
73.02941	18.3
73.37535	1.6
75.00886	4.6
82.95413	3.9
83.01392	7.2
85.02956	22.4
87.00890	4.6
89.02446	23.5
93.03442	4.2
93.05496	2.0
95.01414	4.3
96.96028	3.9
98.21815	4.2
99.00883	7.3
99.92585	11.2
101.02451	34.5
106.43409	1.9
113.02457	23.4
116.92863	100.0
116.97236	1.8
117.01923	2.7
117.92892	3.8
119.03505	7.1
124.41442	1.9
125.02453	4.1
131.03531	2.5
133.02965	2.0
135.04562	2.2
143.03496	4.0
159.02914	2.1
161.04565	10.9
173.04526	12.5
176.64589	1.9
179.05624	7.2
191.05571	4.3
209.11900	2.0
221.06602	4.3
251.11343	3.0
293.43268	1.7
328.27991	2.0
333.20627	2.2
381.22800	5.9
399.23715	9.1
413.21091	2.1
424.38052	2.1
543.28156	17.5
545.29767	6.8
545.57831	2.0
561.29126	49.1
562.29993	3.3
587.30908	2.6
597.43713	2.4
603.30206	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.6
57.03434	4.3
57.83944	1.4
59.01379	93.6
61.98857	1.7
66.17806	1.4
69.06084	9.7
71.01384	49.2
71.88324	1.6
73.02949	14.8
80.06534	1.7
83.01404	4.1
85.02947	24.0
87.00879	2.0
89.02441	18.3
95.01368	7.1
97.02952	4.1
98.21795	2.8
99.00875	4.2
101.02446	28.0
111.00891	1.9
113.02444	22.5
119.03506	6.5
120.63094	1.5
124.01635	1.5
125.02478	3.7
129.01881	1.5
140.93756	1.4
143.03497	4.8
152.33768	1.4
161.04588	8.2
164.56171	1.6
179.05676	2.1
345.26254	1.8
360.92758	1.6
381.22934	2.0
399.23862	6.9
543.28113	100.0
544.28540	11.3
561.29126	72.8
562.29852	7.0
603.30328	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03446	3.3
59.01382	100.0
60.99314	10.9
61.98833	4.8
63.22546	2.6
69.03452	2.7
71.01383	40.5
73.02578	4.0
73.02929	18.1
82.95418	4.0
83.01392	9.5
85.02956	25.4
86.78722	2.4
87.00858	6.2
88.98813	60.4
89.02463	16.0
93.03461	4.2
95.01396	3.3
96.96008	3.0
97.02937	3.7
99.00893	6.5
99.92590	11.1
101.02451	31.1
109.44311	2.2
113.02438	19.4
116.92871	70.3
117.01938	2.8
119.03519	7.2
125.02453	3.9
131.36528	2.5
134.03757	6.9
143.03535	6.0
161.04565	12.8
173.04546	7.9
179.05634	9.4
191.02020	2.9
191.05701	3.0
193.05107	8.2
209.11862	3.5
217.94139	2.5
333.20914	3.4
381.22583	3.1
399.23932	9.8
413.21332	3.8
441.24704	4.7
527.28772	8.4
543.28064	15.6
545.29584	27.9
561.29108	45.3
563.30469	6.5
586.84473	3.7
587.30835	4.9
603.30408	14.6
605.32141	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20659	1.2
51.46444	1.3
52.78307	1.3
57.03444	2.1
57.52160	1.3
59.01380	100.0
61.98804	4.2
67.49188	1.4
69.21972	7.9
71.01382	43.0
72.99290	1.9
73.02946	9.5
74.69651	1.5
83.01379	3.3
85.02946	17.3
89.02447	39.6
95.01387	5.1
95.50056	1.4
99.00892	2.5
101.02445	26.8
113.02452	27.9
115.14388	1.4
119.03510	16.8
125.02451	4.0
131.03482	1.8
143.03467	5.3
149.04567	3.5
161.04568	9.4
161.05670	1.4
176.89726	1.4
179.05664	6.9
181.73772	1.3
191.05597	2.3
209.11859	3.4
210.12134	1.4
230.14749	1.5
235.41017	1.4
316.40582	1.3
441.23999	1.6
497.07910	1.5
527.70789	1.5
543.28082	47.9
544.28253	3.8
548.96869	1.4
561.29163	35.4
562.29370	2.4
603.30493	6.9
611.40314	1.8
647.24573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00281	0.6
50.69534	0.7
51.13257	0.6
54.08019	0.7
59.65469	0.7
61.98831	100.0
64.62600	0.6
67.93765	0.7
70.53403	1.3
98.29541	0.7
104.37782	0.7
123.69678	0.6
128.57797	0.7
141.68942	0.7
168.97437	0.6
184.47881	0.7
259.27139	0.7
304.11142	0.7
407.60059	0.7
619.90961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44604	1.3
55.01874	2.6
57.03431	4.0
59.01377	79.5
61.98814	4.7
69.72309	2.5
69.72702	3.3
69.76736	1.1
71.01379	44.9
73.02946	15.9
74.00639	1.1
75.00873	2.3
80.05535	1.2
83.01385	7.3
85.02950	26.3
85.99096	1.2
87.00872	4.8
89.02449	9.2
93.03476	1.4
95.01391	6.3
96.95967	3.0
97.02974	2.5
99.00884	8.5
101.02441	31.7
111.00910	2.2
112.01610	1.3
113.02442	23.1
116.92862	1.8
119.03529	1.6
121.02948	7.3
124.01620	1.6
124.54272	1.2
125.02440	5.0
129.01917	3.8
134.06046	1.4
143.03487	5.1
159.02986	2.9
161.04549	7.7
186.93871	1.3
220.58083	1.3
251.90073	1.3
259.38837	1.2
340.09399	7.5
355.11859	13.4
383.24258	2.4
386.81143	1.5
401.25510	6.7
545.29669	100.0
546.29742	7.2
563.30743	73.0
564.31055	6.0
605.31787	12.6
613.30481	4.2
649.21356	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.7
57.03434	4.9
59.01381	98.5
61.98815	7.4
71.00079	3.7
71.01377	42.4
72.99273	3.0
73.02956	17.6
75.00880	3.5
81.03439	2.4
82.58652	2.1
82.95401	8.8
83.01398	10.9
85.02949	25.9
87.00884	5.3
89.02432	14.7
91.49965	2.2
95.01392	4.0
96.95970	2.6
97.02940	3.0
99.00888	8.4
101.02442	31.5
111.00852	3.9
113.02451	24.6
116.92861	10.7
117.92889	2.4
119.03465	2.7
121.97372	2.3
129.01967	3.9
135.04482	4.8
137.02443	2.4
143.03497	5.4
151.89041	2.4
161.04515	9.0
176.04826	3.1
176.21866	3.2
191.05540	5.7
195.06653	23.7
205.08820	2.9
223.06181	3.3
279.06717	2.8
307.06223	5.0
308.06683	3.3
310.73010	2.2
330.65094	2.2
337.11017	3.7
357.11826	3.1
401.25485	6.4
473.74896	2.6
545.29633	100.0
546.29834	7.5
563.30823	67.6
564.30731	7.6
605.31793	11.9
613.19067	15.4
613.29816	6.2
614.19678	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73144	16.3
54.02564	14.9
61.98807	15.3
69.15792	100.0
78.95902	39.6
79.18072	15.5
149.27797	16.2
152.99570	67.7
241.01038	21.4
258.91537	16.6
277.21652	37.9
307.19058	23.4
593.27606	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
59.01380	100.0
60.01709	0.9
69.03442	1.4
69.64982	2.5
70.84568	0.9
71.01382	24.8
72.99304	0.9
73.02947	64.6
75.00865	1.1
78.91878	1.5
83.01388	14.8
84.53603	1.0
85.02953	3.3
87.00892	1.6
88.98825	0.9
89.02452	7.5
95.01400	1.4
97.02945	1.8
101.02444	45.3
113.02456	15.7
119.03488	5.1
125.02471	2.0
131.03511	5.2
143.03511	4.0
149.04550	6.9
155.03447	1.8
161.04573	16.2
203.05608	2.1
221.06734	4.1
348.39560	1.0
678.68781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1563
Annotation	Ricinitin
Peak:m/z	Relative Intensity
52.42557	0.7
59.01378	9.2
63.02396	1.3
65.00335	1.2
66.09036	0.7
69.28372	2.8
71.01369	3.3
73.02953	1.7
77.28124	0.7
83.01388	1.1
85.02978	1.7
86.96836	0.7
87.28629	0.6
89.02439	4.4
91.46338	0.7
95.01459	0.9
96.95994	4.0
98.21947	1.4
99.00895	1.1
101.02448	1.7
107.01407	1.9
109.02979	1.0
112.69969	0.6
113.02446	0.7
113.21299	0.6
116.92822	0.9
121.02997	0.9
126.90408	2.0
131.03552	0.9
133.02957	4.7
134.03732	1.1
135.04512	0.9
136.01678	1.1
149.02486	1.9
149.04541	1.4
151.00404	4.2
151.04037	4.1
154.21956	0.7
161.02397	1.8
161.04576	0.8
164.04790	0.9
175.04007	2.1
176.04826	1.5
177.01958	0.9
179.03487	3.2
179.07141	1.2
185.55501	0.7
191.05659	0.9
191.07184	1.1
193.05078	1.4
194.05913	4.2
199.03931	2.3
201.01788	0.7
209.08188	8.7
213.05566	0.7
215.03619	0.9
217.05090	1.4
243.02939	1.0
252.99213	0.7
255.03131	0.9
256.03821	2.5
257.04578	0.8
284.03268	38.7
285.04031	100.0
286.04401	4.3
289.11224	1.4
309.04239	0.9
327.05157	1.6
331.11838	0.9
356.14371	0.7
357.13376	2.3
403.14059	2.3
429.21039	0.8
447.09409	1.9
451.38681	0.7
607.20392	0.9
607.33179	1.4
609.14594	14.0
610.14935	1.0
651.15533	72.7
652.15790	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2462
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
56.03278	0.6
59.01356	1.1
60.27555	0.7
61.98823	1.5
67.58001	0.7
71.42616	0.8
77.99677	0.7
80.96501	2.2
93.88413	0.7
95.94363	0.8
105.74391	0.7
125.09617	1.0
134.78279	0.7
137.02431	1.3
138.01849	0.8
171.10251	1.0
209.11777	1.4
225.00826	1.3
237.10663	0.8
282.22073	0.9
291.19696	0.8
372.41766	0.7
449.19534	1.0
461.15878	1.2
474.16806	1.0
489.15543	10.4
490.15982	1.4
491.17157	9.9
503.17517	1.5
504.17764	2.0
505.18591	5.4
506.19437	1.8
521.21448	1.0
545.18292	3.2
577.27051	6.0
591.22479	17.3
592.23230	2.1
619.21497	1.7
651.24573	100.0
652.25128	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.7
59.01382	5.0
69.23543	1.0
69.23949	2.0
71.01376	2.9
72.99302	0.7
73.02938	0.8
81.03442	0.6
85.02955	2.3
88.98782	0.7
89.02444	1.4
93.03456	1.1
95.05052	0.9
96.96008	14.5
97.02949	1.5
98.19125	0.6
101.02418	1.0
109.02977	1.6
113.02459	2.1
116.92852	0.8
121.02955	3.0
124.01701	1.5
125.02447	5.4
135.04533	1.1
137.02440	2.7
138.03214	0.7
139.04021	3.5
147.04456	0.7
151.04015	5.7
152.04799	2.3
154.63867	0.7
161.02405	0.8
161.04578	1.4
162.03259	1.4
163.04024	1.8
164.04753	3.0
165.05574	2.7
175.04030	0.8
176.04823	0.9
177.05562	2.3
179.03543	1.4
179.07132	1.4
180.04263	5.9
193.04948	0.9
194.05840	8.2
195.06607	12.6
206.05908	0.9
208.07359	0.8
209.08157	3.2
237.11356	1.0
287.09610	1.9
315.12424	1.2
332.52936	0.6
344.12503	1.3
345.13345	16.6
346.13812	0.9
357.13220	1.0
359.14920	6.0
368.51834	0.7
375.14401	18.3
390.16843	15.9
391.17346	1.3
405.19168	100.0
406.19513	6.1
447.20245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58486	1.2
59.01362	1.5
61.63091	1.2
61.98832	4.0
70.08389	3.9
78.95901	46.2
96.96954	8.3
98.22668	1.8
103.11523	1.3
108.17812	1.3
147.84459	1.2
149.29730	1.2
152.99580	45.9
179.45441	1.4
223.00090	1.6
241.01187	25.3
255.23381	3.6
259.17340	1.2
279.23270	59.0
280.23807	2.7
315.04904	6.0
335.28265	1.4
397.13574	3.6
415.22470	1.6
473.18802	1.4
563.89075	1.3
571.29614	2.3
587.53192	1.5
595.28827	100.0
596.29199	4.6
653.24451	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15103	0.3
62.96395	0.7
69.93721	1.0
78.95901	100.0
98.22571	0.5
110.17114	0.3
117.68948	0.3
130.77377	0.3
149.00099	4.6
169.17404	0.3
179.01164	0.5
196.96228	0.3
205.15971	2.7
209.96056	0.4
277.21671	0.3
285.12595	4.1
355.16653	1.9
385.17865	1.0
417.12265	0.6
427.22073	0.3
447.13498	5.6
448.13818	0.5
477.62305	0.3
653.30145	51.7
654.30432	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.12558	0.3
56.65952	0.3
57.03451	1.2
58.00601	0.6
59.01379	46.9
61.13409	0.3
61.98853	0.3
67.01881	0.3
67.04051	0.3
69.03442	2.0
69.64861	0.9
69.65269	0.6
71.01382	30.7
72.01729	0.5
72.72255	0.3
72.99310	1.2
73.02943	6.1
74.14578	0.3
75.00887	0.7
78.95911	2.4
80.35551	0.3
81.03442	1.6
83.01385	3.6
83.05044	0.3
85.02952	6.7
87.00337	0.4
87.00867	7.7
87.04518	0.4
89.02444	28.6
91.03976	0.8
93.03462	0.5
95.01408	2.0
96.96955	0.7
97.02951	5.1
99.00885	1.9
99.54927	0.3
101.02441	26.8
103.04036	0.4
109.02961	0.5
111.00882	0.7
111.04523	1.1
113.02448	12.8
113.11826	0.3
115.03979	0.7
117.01875	0.4
117.64690	0.3
119.03503	10.1
119.04319	0.6
123.00900	0.3
123.04550	0.4
125.02445	11.3
127.04013	0.4
129.92393	0.3
131.03500	1.9
133.05075	0.8
139.04028	1.0
140.79582	0.3
141.01894	0.9
143.03499	5.4
149.04578	1.0
152.99583	2.6
161.04549	6.4
167.03452	0.5
169.05055	0.3
171.03035	0.6
179.05600	6.5
185.04439	0.6
199.06152	0.5
203.05646	0.5
217.07237	0.8
221.06691	2.1
235.08226	12.6
241.01161	1.2
245.06657	0.8
253.09302	2.9
254.03145	0.3
255.23286	93.1
256.23627	3.6
259.08130	0.5
263.07724	1.0
264.87787	0.4
269.24869	0.9
277.09357	1.0
279.23322	2.7
287.07706	3.4
295.10571	0.4
305.08768	4.6
314.46729	0.4
323.09796	2.1
330.80994	0.4
334.00589	0.3
361.11551	0.4
379.12488	1.4
397.13483	100.0
398.13849	4.9
405.57141	0.3
415.14557	35.4
416.14911	1.0
484.17520	0.3
595.28870	4.4
653.26184	0.7
653.37610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42739	1.2
58.22419	1.1
59.01371	4.8
62.74154	1.3
67.78625	1.6
73.04043	2.4
74.02489	1.5
87.05620	5.8
95.05009	2.7
98.06085	1.6
109.06559	2.3
113.03591	1.7
129.10345	7.5
133.06639	1.3
134.42787	1.2
137.07140	3.6
139.08786	2.7
140.07141	2.2
141.06683	5.1
141.10448	1.6
142.05081	5.8
151.08755	1.9
153.10289	1.3
155.08234	10.9
155.11909	2.1
158.53360	1.6
159.07765	2.8
164.85818	1.4
165.10330	5.1
169.09805	3.2
171.10234	8.9
182.12926	5.9
183.11377	2.9
184.76044	1.4
186.12486	3.6
193.13519	2.6
198.08795	1.7
200.13991	8.6
207.15079	2.0
211.13245	8.2
216.09926	1.9
225.16058	3.1
229.14461	5.3
236.14009	2.9
242.18642	4.2
250.15665	2.2
254.15125	5.3
268.16608	5.7
272.16116	1.6
276.47650	1.4
287.16489	4.3
295.21375	3.0
305.17584	6.5
313.22443	2.3
323.18448	4.8
329.23334	41.1
330.23514	2.4
339.20233	3.9
370.24609	2.3
400.21988	2.8
424.25543	2.6
438.27142	4.9
452.29022	1.6
466.30170	1.8
493.31241	2.2
590.83978	1.4
591.35016	5.2
609.36139	100.0
610.27820	1.4
610.36322	9.2
653.38751	70.3
654.39087	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
61.98823	3.7
67.00745	1.9
71.43360	1.7
71.59290	1.4
84.95110	1.6
85.00469	2.7
122.68469	1.5
240.13023	2.0
302.48004	1.9
653.44183	100.0
654.45093	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	0.8
61.98820	0.9
85.00474	0.6
96.99306	5.2
98.22668	1.6
104.74497	0.6
109.33717	0.7
141.01697	61.6
142.02055	0.7
152.99648	0.9
199.47917	0.5
224.90446	0.7
273.06561	0.6
275.06387	1.0
277.21783	1.8
359.22079	1.2
369.65753	0.7
381.90521	0.7
452.51660	0.6
541.20551	0.7
650.30042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89695	0.4
56.67746	0.4
59.01377	100.0
60.01698	0.7
64.85671	0.5
69.11312	0.8
69.11714	2.3
71.01409	0.8
78.95889	0.5
80.96963	0.5
81.01791	0.4
86.09624	0.4
96.99306	8.9
98.99403	0.4
139.97525	0.6
141.01697	69.4
142.02017	0.7
142.05078	1.1
142.87135	0.4
147.57034	0.4
173.02992	0.5
234.20985	0.4
275.06174	2.0
277.21606	1.9
317.07214	0.9
359.21478	1.9
389.34167	0.6
535.27692	3.2
587.66553	0.5
595.29114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43887	1.8
59.01370	2.5
68.66442	2.1
69.37409	4.0
69.37807	6.4
71.69021	2.0
85.02952	4.8
92.73795	1.9
97.06593	2.2
109.34126	1.7
136.05305	20.4
137.05629	3.0
149.06088	2.7
164.56323	2.4
165.09203	12.3
171.10222	4.4
183.13972	5.1
207.77548	2.2
211.13364	11.1
229.14372	5.4
247.07660	2.5
255.69173	2.3
279.06616	3.9
291.19751	2.6
294.08807	2.9
306.38281	2.4
308.10577	6.1
309.11292	4.0
327.21725	100.0
328.22079	20.9
337.10901	14.0
365.10284	13.1
392.22034	2.8
409.09241	7.3
429.29880	2.9
447.31058	5.8
448.31467	2.9
493.31732	14.7
494.31897	6.0
573.39484	2.4
655.36945	30.9
656.37292	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.3
61.98824	18.1
62.56932	5.6
65.50742	6.6
65.69781	5.4
65.78432	6.2
68.89320	6.0
69.61821	9.2
69.62164	20.8
71.01387	7.9
85.02943	12.8
89.02446	9.2
89.41644	6.1
121.20074	6.0
132.32169	5.8
136.05275	38.4
150.06816	7.2
165.09158	22.5
169.02618	5.9
223.98099	6.6
232.05371	8.3
247.07669	7.1
248.08347	9.3
264.04211	8.9
279.06580	22.4
282.17548	6.1
292.22485	6.5
293.08075	14.8
293.99628	6.6
294.08997	11.7
307.06009	10.7
308.10468	27.2
309.11362	21.5
317.11392	6.9
321.07629	9.2
322.08435	8.7
327.21564	8.2
335.09195	23.7
337.10791	94.4
338.10809	9.6
347.82047	6.8
365.10345	90.5
365.65433	7.1
367.08408	6.7
409.09186	100.0
449.32205	11.9
493.31601	11.1
495.33237	38.2
496.33691	16.9
655.36786	41.0
656.36871	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.3
61.98824	18.1
62.56932	5.6
65.50742	6.6
65.69781	5.4
65.78432	6.2
68.89320	6.0
69.61821	9.2
69.62164	20.8
71.01387	7.9
85.02943	12.8
89.02446	9.2
89.41644	6.1
121.20074	6.0
132.32169	5.8
136.05275	38.4
150.06816	7.2
165.09158	22.5
169.02618	5.9
223.98099	6.6
232.05371	8.3
247.07669	7.1
248.08347	9.3
264.04211	8.9
279.06580	22.4
282.17548	6.1
292.22485	6.5
293.08075	14.8
293.99628	6.6
294.08997	11.7
307.06009	10.7
308.10468	27.2
309.11362	21.5
317.11392	6.9
321.07629	9.2
322.08435	8.7
327.21564	8.2
335.09195	23.7
337.10791	94.4
338.10809	9.6
347.82047	6.8
365.10345	90.5
365.65433	7.1
367.08408	6.7
409.09186	100.0
449.32205	11.9
493.31601	11.1
495.33237	38.2
496.33691	16.9
655.36786	41.0
656.36871	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.5
75.00867	0.6
79.66483	0.4
98.21842	1.6
103.00368	4.1
103.01492	74.2
104.01842	0.3
222.72998	0.3
327.21713	0.8
331.18546	0.7
349.19836	0.8
379.08115	0.6
422.61188	0.4
454.30075	0.4
587.92114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.9
67.65288	0.6
71.01379	3.0
73.02940	1.1
85.02982	1.8
89.02461	1.3
95.24914	0.6
96.96010	2.1
101.02448	2.5
109.02934	1.9
112.01527	0.7
113.02419	0.9
118.92189	0.7
119.03482	0.8
123.00788	0.8
124.01687	1.9
129.01968	0.9
137.02467	1.4
138.03062	0.7
139.04019	4.2
143.83328	0.6
145.02985	1.5
146.01154	0.7
147.04518	1.8
151.00365	10.7
153.01944	2.8
153.05550	1.2
160.01649	1.4
163.04024	1.9
166.02719	33.3
167.03458	1.4
173.02441	2.3
173.04568	1.7
174.03197	1.2
175.03976	6.1
177.05656	0.8
178.06346	0.9
181.05072	58.9
182.05339	2.1
188.04793	2.5
189.05493	1.4
190.06366	4.0
190.07787	0.7
191.03375	0.7
191.05624	1.1
191.07175	1.3
193.05127	4.1
205.08691	7.0
207.06648	1.4
208.07437	4.7
223.06319	0.8
223.09764	14.6
269.04636	2.3
284.07101	1.2
294.05460	0.7
297.04050	8.9
298.04480	1.0
299.09201	0.9
305.16037	1.2
312.06390	13.2
313.06683	1.5
327.08749	21.4
328.09030	1.2
342.11090	36.3
343.11459	2.3
357.13428	65.0
358.13724	4.3
375.14551	13.8
376.15204	0.8
405.15552	100.0
406.15961	6.9
417.15518	7.9
420.87601	0.7
428.51987	0.8
435.16586	13.5
437.20218	2.2
524.47632	0.7
567.20813	2.8
601.32874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53093	0.7
59.01379	100.0
59.09750	0.7
61.55908	0.7
61.98828	3.3
71.01386	11.1
71.42620	1.1
75.07904	0.8
78.74139	0.8
85.02954	3.3
87.00875	0.9
88.14108	0.8
88.98820	3.2
89.02444	13.7
93.03458	1.0
96.96008	1.7
99.92604	1.0
101.02445	4.8
106.59772	0.8
107.57047	0.8
109.02962	0.9
109.05784	0.9
113.02458	4.4
116.92859	14.7
119.03490	6.0
129.01958	1.1
137.02425	2.1
143.03564	1.4
151.00330	1.3
151.04047	1.3
161.02446	3.5
161.04575	1.2
165.00496	1.2
165.01924	24.6
166.02608	2.9
173.71890	0.9
176.04811	2.8
179.03514	15.2
179.05525	3.9
180.04277	20.6
181.05058	4.3
191.05621	1.6
191.07213	1.4
194.05833	7.1
195.06610	32.5
196.06862	1.1
209.08182	19.7
210.05304	5.6
225.07675	65.5
226.08104	1.5
243.02824	0.9
255.03001	1.1
271.02457	3.2
300.02670	4.5
334.65662	0.9
357.09790	2.6
372.12146	5.0
387.14542	22.2
388.14697	1.5
388.48282	0.9
417.15613	3.0
435.16550	23.3
435.22510	1.3
436.16901	2.6
595.12823	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08854	0.3
59.01373	2.7
69.26342	0.5
69.26754	0.9
71.01369	1.1
79.95743	1.5
80.37452	0.2
85.02955	0.3
89.02471	0.6
96.96011	100.0
97.03036	0.3
97.95985	0.3
101.02457	0.5
108.02181	1.1
108.10351	0.2
113.02448	0.3
119.03518	0.3
119.75625	0.2
123.04514	0.6
123.92937	0.3
125.59311	0.2
152.01118	1.8
161.04515	0.3
167.03494	4.3
170.68932	0.3
197.11743	0.3
199.13362	0.4
217.21944	0.2
241.10799	0.4
245.06573	0.3
287.09586	17.5
288.09927	1.0
288.16705	0.2
397.13156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60028	1.6
58.27098	1.5
59.01161	1.4
59.01386	16.5
60.47692	1.5
61.98812	6.3
71.01385	4.9
83.01365	2.0
83.05018	2.6
85.02952	2.7
89.02460	2.8
93.03459	2.6
95.05072	1.9
96.96020	2.0
97.06562	4.0
101.02489	2.1
107.87583	1.8
111.08122	1.5
113.02471	1.8
123.08124	1.9
125.09732	4.6
144.52904	1.5
151.57521	1.5
171.10291	16.1
182.24023	1.5
187.14955	2.3
191.05617	1.9
205.15945	3.0
209.11887	3.6
211.13402	8.8
221.15536	2.7
233.15472	24.2
249.15015	8.9
331.26193	2.9
341.24835	5.1
385.23767	8.8
403.25079	14.7
421.25766	8.9
639.33746	29.1
640.34375	3.1
657.34955	100.0
658.35168	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	2.0
62.06923	1.3
71.01385	1.6
81.38974	1.5
107.07004	1.4
111.08154	12.5
153.12790	1.6
169.12325	5.9
171.10146	1.9
181.12291	1.8
197.11824	61.2
198.12141	3.5
199.13402	2.2
209.15549	2.2
211.13385	8.2
249.08893	4.7
251.16446	2.7
263.20145	3.0
265.18195	1.8
291.19696	17.6
309.20715	100.0
310.20929	4.5
403.17520	2.0
447.20081	2.2
461.22314	11.4
462.21936	1.4
499.23938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24000	0.3
55.17459	0.3
57.03451	0.7
59.01372	1.3
71.01390	0.5
74.38565	0.3
77.80457	0.3
85.02935	0.5
87.00872	0.6
89.02448	0.4
100.28640	0.3
121.06595	1.3
122.03751	1.3
127.11281	0.6
133.96629	0.3
135.04533	2.8
136.05298	44.0
137.05890	0.9
137.09718	0.7
147.08183	0.8
148.05286	0.7
149.06081	9.4
150.06870	3.5
155.10764	0.4
162.06845	3.3
163.07629	1.3
164.08426	5.3
165.09201	20.8
166.09526	0.9
171.10294	0.4
185.63725	0.3
214.12410	0.5
241.09865	0.3
242.10612	1.0
257.12958	3.8
265.21741	1.0
275.19986	0.3
301.11951	5.4
302.12088	0.5
327.25455	0.5
329.23294	8.0
330.23608	0.5
416.29257	1.3
417.29510	0.4
431.31561	1.5
432.32336	0.4
433.33194	0.4
434.30307	4.5
448.31924	1.2
449.32718	17.3
450.33060	1.7
476.31339	1.3
477.32043	3.3
494.32495	3.8
495.33273	33.8
496.33566	3.6
657.38519	100.0
658.38898	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98829	0.3
66.29072	0.1
69.52892	0.5
71.01377	0.2
72.00191	0.1
75.64240	0.1
79.95724	1.8
79.96130	0.2
85.02927	0.2
88.04047	0.1
96.96011	100.0
97.95326	0.1
97.95975	0.3
101.02449	0.2
120.01242	1.1
133.06488	0.1
152.16811	0.1
269.04419	0.2
289.11148	47.4
290.11469	2.6
397.13354	0.2
565.00616	0.1
623.15839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98840	0.5
62.64771	0.3
65.00304	0.3
69.25874	1.9
71.01400	0.8
77.03963	3.6
85.02949	1.0
88.98812	1.0
89.02465	0.4
89.03995	1.6
93.03449	2.2
93.22349	0.3
95.05029	8.2
96.97865	0.4
99.94683	0.3
101.02402	0.6
103.46873	0.4
105.03458	21.1
106.03815	0.4
111.00891	0.5
123.04552	2.1
132.02202	1.3
133.02954	100.0
134.03273	2.3
137.02432	1.3
142.06342	0.3
151.03983	0.9
177.01924	51.4
178.02245	1.4
180.04338	0.5
191.02118	0.3
195.06616	0.8
205.05125	1.9
225.07657	1.5
239.76300	0.4
243.77225	0.3
319.08420	0.5
437.17981	0.5
481.13406	1.6
512.49646	0.4
659.24451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29612	0.6
55.01849	0.6
57.37988	0.7
59.01379	8.8
61.98818	1.9
69.24052	1.8
69.24458	1.8
71.01369	4.5
73.02945	2.4
78.95885	0.7
82.95406	4.4
83.01395	1.1
85.02959	3.0
89.02438	3.1
95.16422	0.7
96.96008	8.8
98.22589	1.4
101.02451	4.6
105.20232	0.7
111.00907	0.6
113.02454	1.5
118.96635	0.8
119.03484	1.0
120.01221	0.7
161.04588	1.0
165.09184	1.2
179.05824	0.7
191.05647	1.9
221.06151	1.6
225.11212	1.1
233.05911	0.7
235.03935	2.2
237.05521	1.3
248.04755	1.9
249.05499	4.8
250.06232	2.4
251.03496	0.9
261.05701	0.7
263.03369	0.7
263.07047	1.6
264.04300	2.7
264.07852	1.2
265.04987	6.8
266.05579	0.7
275.03714	0.9
276.04376	1.0
277.05075	4.3
278.05777	1.6
279.06534	1.2
280.07333	0.8
280.92557	0.5
289.04980	1.0
290.05801	1.2
291.06516	1.2
291.18109	1.3
292.03775	12.8
293.04523	9.7
302.06381	0.9
305.04568	2.9
306.05460	3.1
307.06119	14.7
307.09601	1.4
308.06854	10.8
311.09595	0.9
320.03336	1.4
321.03992	3.0
321.07495	1.1
322.08463	15.8
323.09161	12.4
324.09537	0.8
335.05600	4.2
336.06509	3.6
350.04300	3.7
351.08704	33.3
352.09122	2.6
365.06635	11.5
366.07251	1.1
380.05466	1.3
395.07684	100.0
396.07965	6.5
437.23849	2.5
453.21439	1.5
481.24323	1.0
482.86685	0.9
495.19037	1.9
542.75403	0.8
599.29272	5.6
658.35126	1.3
659.15656	1.5
659.35376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16924	2.2
56.41390	2.1
59.01368	6.3
68.83109	2.1
69.94185	3.2
69.94527	4.8
70.00349	2.2
70.42400	2.1
75.00867	18.4
78.95903	11.8
80.43077	2.2
82.84824	2.6
90.28687	1.7
94.01343	2.5
103.00371	12.5
125.86789	2.2
141.01715	4.9
144.47777	2.2
152.99586	7.1
171.00659	4.2
237.74919	2.4
261.80386	2.2
267.08609	2.0
291.19690	7.3
292.20398	2.1
344.58459	2.0
347.16318	2.2
371.19330	2.6
452.11172	5.8
453.15735	7.2
455.17200	6.8
456.18286	2.5
457.18631	2.4
467.17813	2.7
468.11710	3.9
468.18069	31.7
469.11472	3.3
469.18524	7.1
473.18372	7.9
479.16629	3.1
480.17490	3.4
481.14761	3.3
483.13455	2.5
483.20328	42.3
484.20886	6.7
488.17047	3.5
494.65674	2.2
495.17029	4.9
496.17648	34.7
497.18365	4.4
500.16980	16.2
501.17322	10.9
504.43338	2.5
510.14850	16.4
511.19904	57.7
512.13214	8.3
512.20117	9.8
513.21381	3.1
521.18243	3.0
524.17163	9.0
526.14838	19.6
527.15839	9.5
528.16351	7.0
539.19342	3.8
543.22162	7.9
544.19781	6.6
555.18964	22.0
556.19666	4.0
561.19934	4.0
571.19226	3.6
573.19836	4.6
583.18597	16.6
587.21423	18.1
589.19128	3.1
599.17682	33.5
600.18427	14.7
601.18823	2.3
615.20990	57.6
616.21094	6.4
627.17395	15.0
632.17114	4.0
658.37140	4.2
659.19958	100.0
659.37506	4.6
660.20313	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.5
66.52142	1.4
67.09850	1.2
73.02960	2.1
81.53997	1.3
100.74335	1.5
102.32108	1.6
107.87510	1.3
113.51624	1.3
115.48219	1.3
201.52928	1.4
231.30702	1.5
270.47888	1.4
284.68713	1.3
441.19641	1.8
469.22299	3.1
481.15283	2.4
493.19016	1.7
496.17145	8.5
507.20407	2.1
509.18301	3.0
511.19662	1.6
512.02209	1.5
512.17047	14.1
513.17395	2.4
523.19519	1.8
524.20752	1.9
528.16815	2.9
536.17230	3.9
551.19025	1.9
555.19073	8.3
627.20862	4.4
659.23645	100.0
660.23853	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36996	0.2
55.61271	0.2
59.01361	0.7
61.64900	0.2
61.97886	0.2
67.07661	0.2
70.30470	0.3
70.30805	0.3
71.01395	0.3
73.02885	0.2
79.95716	2.0
84.57231	0.2
96.96009	100.0
97.95956	0.3
98.21995	0.2
113.02471	0.2
125.77199	0.2
134.57268	0.2
141.53543	0.2
289.11154	47.3
290.11450	2.8
298.06683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.3
67.10168	1.2
70.20261	2.8
72.12828	1.3
80.05060	8.1
85.02976	2.2
93.03420	1.4
94.02976	3.3
104.05057	1.9
108.04551	1.8
108.08193	3.4
116.92870	4.6
120.08134	1.8
121.05328	6.2
122.02351	1.3
122.06128	3.0
124.04008	3.1
131.14426	1.3
132.04518	2.4
134.06088	2.0
136.04070	6.8
136.07684	54.6
138.05682	3.0
142.65573	1.3
147.05693	2.3
148.04060	2.7
150.05617	7.1
160.04034	2.6
161.80705	1.5
165.71992	1.4
173.04590	1.9
174.05518	2.4
175.05130	1.9
189.54401	1.5
190.05020	1.9
191.05699	1.8
201.08513	2.2
201.10298	14.9
211.08798	2.3
213.10287	5.0
223.08752	2.1
227.11951	4.5
229.09846	17.5
229.13390	12.3
239.11838	6.7
241.09834	1.7
247.10924	3.3
255.11401	6.0
257.12906	5.0
263.07959	1.4
267.11353	2.4
273.12500	5.2
279.11417	2.0
283.10919	1.4
289.11938	5.3
297.12482	7.6
301.11871	16.2
307.10904	4.0
309.12494	4.9
319.12970	74.9
320.13486	2.6
327.13571	3.9
339.13483	4.2
344.10516	1.9
346.11807	1.9
358.11765	2.8
360.13489	3.5
374.15109	10.1
391.15436	3.2
392.16156	9.4
416.15872	6.8
434.17081	5.2
446.17087	2.2
523.23700	3.0
523.32764	1.7
532.09131	1.5
541.24518	15.6
542.24799	2.2
559.25800	2.0
565.24384	4.7
567.22089	1.8
579.35242	11.4
583.25592	58.2
584.26263	6.7
586.24152	3.3
597.23511	1.6
627.24554	100.0
628.24860	10.0
638.44397	1.7
659.27081	26.0
659.37122	2.5
660.27271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.0
61.98814	6.3
63.85259	2.0
65.28264	1.8
80.96548	2.3
85.02930	5.4
93.03455	7.8
96.96015	2.2
102.60864	2.0
104.22385	2.4
111.00913	2.6
129.10362	5.2
130.06186	3.0
131.85495	2.0
135.04599	1.9
165.10266	2.7
173.04590	10.8
182.13005	2.0
183.11385	1.9
183.44875	2.1
186.12558	2.0
191.05562	13.1
200.14044	3.4
209.12070	2.2
242.18675	3.1
281.19800	2.2
293.81326	2.1
314.18481	3.2
338.65363	2.3
370.24472	4.0
388.04968	2.2
467.20697	2.3
471.15323	2.9
523.32239	6.9
579.35071	100.0
580.35413	11.4
623.37671	4.0
659.26465	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13151	0.9
59.01380	37.7
69.77509	1.1
69.77840	2.7
83.01385	2.3
85.02914	1.2
93.03500	1.8
93.12155	1.2
96.13156	1.0
96.96004	1.5
98.22667	1.2
99.00871	1.0
105.03437	1.1
108.02135	1.1
109.02961	2.2
116.92885	0.9
117.03443	0.9
118.00600	1.0
119.05040	3.0
121.02966	2.8
123.04530	4.7
125.02447	5.3
125.06077	1.7
133.02913	1.1
135.04506	2.2
137.02466	1.3
143.05029	5.8
145.02962	2.6
145.06631	1.7
147.04498	8.7
148.01682	1.1
149.02449	18.8
151.03995	1.6
152.62970	1.2
159.04498	3.9
161.02438	2.5
161.06105	2.3
162.99129	1.0
163.00397	2.2
163.04008	2.5
164.01155	1.7
165.05530	2.7
171.04497	4.8
173.02444	3.2
173.04503	1.6
174.03244	6.9
175.03958	11.9
177.01883	1.7
179.03503	4.7
181.05003	1.7
187.03998	48.7
188.04526	1.8
189.01991	1.2
189.05518	5.2
190.02701	24.3
191.03470	18.6
191.05234	1.2
202.02681	2.7
203.03447	1.9
205.05038	5.4
213.05496	1.3
214.02690	3.0
215.03490	27.4
216.03839	1.3
231.06630	2.2
232.03764	2.2
233.04530	61.3
234.04883	3.7
247.06111	1.9
257.04553	3.6
260.03244	1.4
275.05609	48.3
276.05923	1.8
293.06677	4.5
307.08441	1.2
320.05301	3.0
335.07712	61.2
336.08084	4.1
341.10159	1.5
359.11304	13.5
375.29755	1.1
395.09717	16.2
401.12338	11.8
455.11777	9.8
461.14529	33.1
462.14923	3.2
521.16626	100.0
522.16864	10.0
581.18738	43.0
582.18939	5.2
661.14185	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57361	0.6
55.01878	4.0
57.03445	3.3
58.00596	1.9
59.01377	100.0
60.01717	0.7
61.98822	0.7
69.03452	1.0
69.10466	0.5
70.25323	1.1
71.01380	86.4
72.01722	0.9
72.99300	1.6
73.02946	13.9
75.02539	0.5
77.20801	0.5
81.03419	0.6
83.01390	9.3
84.95109	0.6
85.02947	26.7
86.00098	0.9
87.00872	5.1
89.02443	85.3
90.02784	0.5
93.03431	0.5
95.01373	2.4
95.01911	0.5
96.96053	1.1
97.02962	0.8
99.00874	4.8
101.02442	55.3
101.70973	0.5
102.02779	1.0
113.02448	20.8
115.04069	0.5
119.03508	12.3
125.02439	0.7
125.47297	0.5
131.03503	42.5
136.01668	1.0
143.03464	1.8
149.04553	70.5
150.04852	1.3
161.04541	4.4
181.43823	0.5
191.05609	57.3
192.05882	1.5
215.05681	0.6
223.13330	1.8
227.88925	0.5
233.06651	86.0
234.06950	2.6
263.07123	0.7
267.12448	4.3
293.08640	2.3
311.09894	2.2
323.09109	2.9
348.47968	0.6
351.08701	0.7
367.08221	1.1
413.21628	1.5
455.22760	4.6
467.53864	0.6
561.21802	1.5
593.68158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.56736	1.3
69.48987	3.5
69.49371	2.7
70.38620	1.3
71.01382	30.5
72.99305	1.6
73.02949	71.9
75.00874	3.8
79.90329	1.3
83.01391	16.3
85.02950	13.4
87.00874	2.3
89.02444	6.9
93.03455	2.6
93.22044	1.8
96.96021	5.5
99.00902	2.3
101.01785	2.5
101.02448	41.7
113.02440	11.4
114.04438	1.3
125.02445	2.5
131.03488	4.6
135.04614	1.3
143.03493	5.1
149.04549	4.4
155.03523	1.9
155.32048	1.3
161.04591	11.0
172.05272	1.4
173.04593	1.8
179.59651	1.4
191.02005	3.5
191.05626	15.3
201.84499	1.4
203.05772	1.7
204.98141	1.6
209.02997	3.7
221.06676	2.1
233.45760	1.5
268.77444	1.4
299.87653	1.3
307.06183	1.7
321.07629	3.8
337.07230	11.7
365.06699	2.1
379.08032	4.1
443.24500	2.5
469.22391	10.2
509.11188	1.7
541.13525	76.4
542.13898	8.4
579.35095	6.2
580.35468	3.0
625.32135	10.9
661.29834	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
56.84447	0.4
57.03436	0.9
59.01377	31.4
61.98828	0.7
69.03437	0.7
69.14565	0.9
69.14981	1.8
71.01380	15.6
72.99297	0.6
73.02945	7.6
77.20416	0.4
79.06069	0.4
83.01392	2.8
84.47771	0.4
85.02947	8.3
87.00857	0.9
89.02444	4.6
95.01378	2.0
96.96008	1.6
97.02943	0.7
99.00884	2.7
99.04524	1.1
101.02436	9.8
111.82549	0.4
113.02445	7.3
119.03492	1.2
125.02426	1.1
129.01904	0.5
143.03482	1.0
149.06076	0.4
159.02969	0.5
161.04555	1.9
187.11151	0.4
201.10310	0.5
233.15433	0.6
235.17021	10.4
246.02861	0.5
251.16478	3.0
267.12384	0.6
301.11813	0.6
319.12769	1.5
395.20694	3.1
413.21793	12.6
414.22226	0.6
437.21735	1.1
455.22842	100.0
456.23138	8.4
497.24258	0.8
585.23621	0.9
614.54797	0.5
629.22528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
56.75643	0.5
57.03434	2.3
58.00587	0.7
59.01380	26.6
60.86004	0.6
61.98827	3.4
64.59006	0.5
69.03461	1.1
71.01382	20.7
73.02944	8.9
75.00869	0.9
83.01391	3.8
85.02954	10.3
87.00874	1.2
87.83950	0.6
89.02448	8.0
92.96021	0.5
95.01399	1.8
96.96005	3.3
97.02954	0.7
99.00887	5.1
99.04511	0.9
99.92627	0.7
101.02441	16.9
110.14022	0.6
113.02452	7.7
116.92825	1.0
119.03506	2.0
125.02460	1.4
129.01909	1.4
131.03519	1.5
143.03473	1.3
146.92941	0.8
147.02936	0.5
149.04590	2.8
157.43396	0.7
158.93864	0.7
159.28670	0.6
161.02444	1.3
161.04556	1.6
180.43147	0.6
191.05589	1.4
233.15503	0.7
235.17030	7.5
235.89702	0.7
251.16528	5.7
261.08704	0.6
277.17981	0.8
351.08807	3.4
354.50568	0.7
395.20578	3.7
413.21780	100.0
414.22156	7.0
447.86844	0.6
455.22839	19.2
456.23233	0.9
661.34161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12624	0.4
56.08812	0.3
61.98829	100.0
79.71997	0.3
119.20995	0.3
240.16095	0.3
264.67145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.2
60.64106	0.6
65.10319	0.6
69.91471	0.6
69.91798	1.4
71.01013	1.0
71.01384	17.0
73.02947	1.4
77.27219	0.6
83.01369	0.9
85.02958	3.0
87.00880	0.9
89.02448	12.5
95.01379	1.4
97.02923	0.9
101.02443	10.5
109.02952	9.3
113.02438	6.7
115.05518	2.2
119.03519	7.4
119.04951	0.9
121.02933	3.1
121.06584	1.0
123.04523	0.8
130.04250	1.1
131.03539	0.8
131.05028	9.2
134.06099	0.9
137.02446	12.2
139.04034	2.8
143.05046	1.8
146.06146	1.3
148.01672	1.9
149.02431	3.9
158.03722	2.7
159.04514	50.0
160.05296	65.1
161.04510	1.1
161.05997	6.2
173.06076	0.8
179.05606	1.3
180.06650	2.5
188.04770	1.1
191.03542	1.2
191.08369	0.6
198.98637	0.7
203.03503	11.9
204.04279	19.4
205.04741	1.1
217.05017	3.4
221.06836	0.8
223.76746	0.6
234.40698	0.6
256.14285	0.6
257.12973	0.9
295.09671	1.0
301.11896	0.8
319.12906	2.4
335.12634	1.5
338.08069	4.5
339.08716	60.2
340.09119	3.0
361.53714	0.7
387.17102	1.5
394.00513	0.7
483.12976	2.0
501.13824	2.4
532.34705	0.8
543.28204	1.0
568.24585	11.4
587.24744	1.5
613.30426	2.2
631.24298	0.9
663.19226	100.0
664.19531	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16592	1.0
59.01380	35.8
61.98817	3.3
66.59566	0.8
67.65412	0.8
69.21441	3.7
71.01380	16.3
72.99337	1.3
73.02953	1.8
75.25172	0.9
79.19829	0.8
83.01387	1.1
85.02958	6.4
87.00880	1.6
89.02441	16.1
93.03432	1.4
95.01398	0.9
96.96011	4.1
98.22616	2.0
99.00925	1.4
101.02445	11.3
108.02145	1.0
109.02959	9.6
111.00877	2.4
111.83761	1.0
113.02449	5.9
115.05519	1.9
116.92869	3.7
119.03495	6.9
121.02962	2.7
125.02506	0.9
128.00340	0.8
130.04204	1.4
131.05046	9.0
133.01451	1.4
137.02457	16.7
138.02757	1.0
139.04018	4.3
143.03499	1.3
143.05000	1.9
148.01656	2.3
149.02448	4.4
158.03735	3.0
159.04510	50.2
160.05299	53.5
161.04564	1.1
161.06007	5.6
165.01932	1.4
165.05548	3.8
173.06094	1.3
175.04004	1.9
179.05736	1.4
191.03572	1.2
191.05562	1.4
203.03493	12.6
204.04251	19.9
217.05034	4.2
221.06740	1.0
249.11665	1.1
295.09787	1.4
338.07971	3.5
339.08716	58.2
340.09024	4.0
369.09448	1.0
381.09930	1.3
483.13098	1.6
501.14178	3.2
663.19275	100.0
663.37372	3.0
664.19550	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
57.03449	11.4
59.01376	7.7
61.98832	0.7
63.25142	0.7
67.98219	0.6
70.17619	0.7
70.64912	1.4
71.01375	2.9
72.99308	1.3
75.00893	1.6
83.01393	1.4
84.02184	1.8
85.02950	100.0
86.03300	1.8
87.00851	0.7
93.03433	0.6
96.96004	0.8
103.00365	0.9
115.00371	0.8
117.08723	0.6
129.01953	9.6
133.01505	0.7
133.02913	1.7
134.03743	1.7
135.04510	3.2
137.02370	0.7
147.02994	15.3
164.17313	0.6
173.00903	2.0
173.04602	1.0
173.92786	0.7
181.26938	0.7
191.01971	52.8
192.02318	1.1
209.02991	11.5
276.84042	0.7
427.25076	1.3
566.90033	0.7
630.94543	0.6
661.70581	0.7
663.26929	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02119	1.3
55.01858	2.9
55.36980	1.1
57.03454	2.6
59.01380	100.0
61.98829	3.3
68.49043	1.5
71.01383	49.7
73.02940	17.6
82.95412	1.5
83.01392	6.5
85.02943	22.9
87.00867	3.8
89.02441	34.6
95.01398	6.0
96.95995	3.7
97.02920	2.3
99.00871	3.1
99.04505	3.4
99.92597	1.7
101.02444	27.6
113.01699	2.3
113.02448	33.1
116.92876	5.7
119.03510	15.4
125.02430	2.9
131.03490	1.8
143.03506	6.5
149.04568	1.8
159.02924	1.1
161.04594	10.3
179.05537	6.0
187.67467	1.3
201.90195	1.1
202.04343	1.2
224.84677	1.1
258.18677	1.2
300.02505	1.2
314.04022	1.3
315.04865	1.7
316.05127	1.9
397.22208	3.2
415.23343	3.7
559.27612	61.2
560.27722	5.5
577.28564	46.7
578.29034	4.9
619.29761	9.9
623.63092	1.5
625.16626	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26941	1.8
50.81057	1.9
55.01867	2.1
57.03452	2.0
59.01379	100.0
61.98815	2.7
69.37988	8.7
71.01377	51.5
72.99301	2.2
73.02944	22.8
75.00839	2.0
83.01387	6.8
85.02953	14.5
87.00862	4.7
89.02447	45.3
95.01377	5.6
96.96018	2.8
98.17062	2.0
98.21824	3.1
99.00867	2.0
101.02449	34.4
106.80257	1.9
109.42294	1.9
113.02451	32.4
116.22108	1.7
119.03510	19.3
131.03519	2.3
134.85854	2.0
137.02419	2.1
143.03474	7.6
149.04550	3.8
150.03195	1.9
159.04500	3.0
160.05289	7.4
161.04562	9.8
166.02621	1.9
179.05627	15.8
181.05025	2.5
229.14435	35.7
258.61169	2.1
261.83130	2.1
277.42343	2.1
327.12753	2.4
339.08661	13.3
371.16788	2.1
415.23489	4.9
417.15515	6.7
417.75134	1.9
422.28534	2.2
501.14188	5.1
522.89032	1.9
559.27692	36.6
560.27747	3.5
577.28595	42.1
578.28705	2.4
619.29498	10.8
693.04510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03430	2.7
59.01382	100.0
60.01722	1.9
61.98832	2.9
66.26600	1.3
69.03493	1.3
71.01385	40.7
71.41776	1.5
71.89559	1.3
73.02957	11.9
80.83424	1.5
83.01395	4.7
85.02961	17.1
87.00905	2.4
89.02454	18.9
95.01388	5.4
96.96029	2.1
99.00906	5.0
101.02452	22.3
109.14630	1.2
111.00867	3.1
113.02466	20.9
115.92089	1.4
116.92879	1.9
119.03516	5.5
125.02458	2.9
129.01964	3.0
131.03625	1.5
131.04585	1.5
135.04507	1.9
141.01842	1.6
143.03506	1.8
159.03033	2.5
161.04576	4.7
162.83926	1.4
171.13828	1.6
179.34752	1.5
199.13498	1.8
209.02937	1.7
209.11806	2.3
227.12967	1.8
235.16925	2.0
333.91959	1.4
349.07059	3.9
399.23904	4.7
413.21872	9.3
414.22211	10.1
415.22464	15.6
423.77377	1.5
455.22864	2.7
457.23767	3.8
468.14410	2.1
543.28125	52.5
544.28534	3.5
561.29156	36.5
562.29742	2.9
563.23645	2.1
568.24408	3.4
603.30090	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05448	0.8
52.69144	0.9
59.01380	26.6
59.68348	0.7
71.01384	3.9
73.02948	1.6
81.03462	0.8
83.01375	1.8
84.87554	0.9
85.02954	3.9
89.02438	1.8
96.13982	0.9
96.95995	2.1
101.02457	4.0
108.02178	20.4
113.02452	2.3
114.02853	0.8
119.03526	1.2
122.03768	1.5
123.04549	10.7
133.02921	1.0
147.06610	1.2
152.01154	40.8
153.01468	0.9
161.13321	1.3
163.02522	0.9
165.05504	0.9
167.03502	100.0
168.03839	2.1
171.16563	0.8
177.01930	1.0
187.11301	3.8
205.12384	1.9
211.13396	2.2
221.15656	0.9
305.17273	0.9
349.16504	0.9
378.66934	0.8
453.17538	1.9
503.33859	1.2
517.20599	4.0
544.29437	1.0
545.28522	2.0
561.19482	1.3
562.28937	1.2
563.30090	1.4
621.21991	4.5
665.36700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2143
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
53.24117	2.1
57.03445	2.1
57.72408	2.1
59.01377	100.0
59.28622	2.0
60.52319	2.5
71.01376	74.2
72.99292	2.8
73.02938	14.0
73.07952	2.2
83.01389	2.8
85.02950	14.3
87.00871	29.4
89.02436	70.6
95.01383	5.4
97.02945	4.6
101.02438	65.9
113.02441	27.2
119.03488	18.0
125.02419	10.1
131.03497	5.3
143.03508	15.3
149.04547	2.7
161.04568	13.1
179.05605	50.8
184.56064	2.3
194.09715	2.0
203.05603	6.8
221.06627	20.2
239.50848	2.2
263.07672	2.7
281.08698	2.7
323.09787	5.5
341.10852	44.6
383.11899	90.3
384.12259	4.5
443.14014	21.7
485.14905	20.6
503.16180	4.3
626.16180	3.0
665.21460	95.9
666.21594	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17059	1.4
59.01374	4.8
61.98833	1.7
64.35983	1.3
66.51801	1.2
71.01367	1.9
80.75381	1.3
85.02947	4.2
101.02429	2.1
114.37409	1.5
175.47514	1.2
187.03920	1.3
191.05553	1.5
215.05046	2.7
217.06630	6.4
233.06119	2.8
235.07681	2.3
243.04498	7.4
245.06090	12.7
246.06648	1.7
248.04770	2.0
261.05515	4.2
262.06268	5.9
263.07104	8.7
273.05438	2.5
274.06271	4.9
290.05759	5.0
291.06638	36.0
292.06985	3.5
329.23380	9.6
335.05618	100.0
336.05887	6.0
337.06293	1.6
344.17892	1.4
472.00143	1.3
483.94724	1.6
552.94171	1.5
665.36523	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01359	0.6
55.01877	3.3
57.03459	4.0
58.00586	1.0
59.01381	100.0
60.01699	0.8
71.01384	60.5
72.01721	0.9
72.99309	2.4
73.02947	16.0
75.00886	1.3
77.05062	0.6
81.03472	0.9
83.01393	7.7
85.02950	25.7
87.00883	4.3
87.04530	2.0
88.85945	0.6
89.02445	27.4
95.01385	7.6
96.96014	4.5
97.02946	1.8
97.70547	0.6
98.95596	0.7
99.00883	5.5
101.02444	36.5
109.02991	0.8
111.00916	2.5
112.01633	0.8
113.02456	30.7
119.03496	10.6
124.01688	1.4
125.02485	5.5
126.90448	0.7
129.01956	1.8
131.03503	1.1
133.25426	0.6
135.88071	0.6
138.39960	0.6
140.60847	0.6
143.03517	6.1
159.03014	2.0
161.04567	9.2
165.19090	0.6
168.46304	0.6
179.05574	3.1
181.05124	0.8
251.12527	0.7
287.09509	1.0
299.05554	0.7
333.19409	0.8
399.23877	5.7
417.24963	8.1
459.25970	1.2
513.26984	1.0
525.27020	1.0
561.29138	99.8
562.29492	10.8
579.30219	74.4
579.39905	1.2
580.30640	7.1
621.31293	21.3
621.41553	1.0
622.31415	2.6
665.27856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
57.03437	4.0
59.01377	79.4
60.01712	0.8
69.21166	4.5
71.01379	52.8
72.99312	1.5
73.02946	12.3
75.00895	0.9
78.06558	0.7
80.96512	0.9
81.03402	0.8
83.01389	7.2
84.87185	0.8
85.02947	22.6
87.00885	4.5
87.04523	1.4
89.02444	27.6
95.01385	5.7
96.96004	3.2
97.02934	2.0
99.00887	4.0
99.92596	0.9
101.02446	26.4
102.02863	0.8
113.02448	28.0
116.92839	5.0
119.03501	8.8
125.02417	5.2
129.01918	1.3
139.08234	0.8
143.03525	4.4
159.02950	1.5
161.04567	9.7
179.05600	2.7
249.07999	1.2
261.93286	0.9
284.03308	4.7
299.05505	3.9
355.58313	0.8
399.23682	7.2
414.76520	0.9
417.24915	8.2
418.25311	0.9
561.29132	100.0
562.29468	12.3
579.30182	64.6
579.37231	1.6
580.30408	6.9
621.31201	19.8
622.31659	2.6
623.16077	1.8
669.64478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98827	1.4
70.83344	0.8
75.18788	0.7
78.95897	2.6
82.75735	0.8
90.64245	0.8
105.85848	0.7
112.79402	0.8
116.76660	0.8
152.99574	2.3
171.71307	0.8
171.72784	0.7
198.18137	0.8
211.13460	1.5
277.21826	1.3
464.57080	0.8
561.27332	0.9
593.27130	3.1
621.15906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01378	100.0
60.01712	0.8
69.43990	2.0
71.01377	5.7
73.02954	1.9
74.19177	0.5
83.01383	1.0
85.02944	3.1
89.02459	1.6
95.01408	0.9
101.02442	3.9
113.02461	4.1
116.92883	0.9
125.02445	1.3
147.06697	0.7
161.04604	2.3
170.09927	0.6
200.96672	0.5
203.07590	0.6
262.74005	0.6
276.42212	0.6
350.71274	0.5
356.16269	1.1
365.06598	1.2
371.18869	0.6
419.20917	1.0
475.57864	0.5
522.06647	0.6
563.24792	1.1
564.25537	0.6
581.26501	1.0
623.20697	0.6
692.71802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01376	2.8
60.06717	0.5
61.71277	0.6
61.98817	0.6
65.03957	1.1
71.01356	0.8
73.02946	0.7
77.41914	0.4
83.05019	4.7
85.02972	1.3
87.00883	6.0
87.11655	0.4
89.02390	0.4
93.03465	1.0
95.05020	1.4
96.96025	1.2
99.00856	0.7
105.01956	2.9
109.02964	1.0
111.04491	2.6
111.08160	1.4
112.13919	0.5
119.08676	0.8
121.06569	2.6
123.08163	14.2
124.05328	1.1
134.03752	3.1
137.02507	0.5
137.09720	1.4
138.06827	0.8
139.07635	2.3
145.01425	1.5
145.10216	2.0
149.06078	1.3
151.07634	1.7
153.09201	1.1
160.01608	0.7
162.03192	0.6
163.02446	1.5
167.03529	0.5
169.10207	1.1
171.11783	16.2
175.04002	0.6
178.02687	1.0
189.12834	5.0
193.05029	5.2
201.12819	5.8
207.13826	3.9
219.13930	2.9
237.14946	19.9
281.13922	100.0
282.14288	3.8
311.07834	0.8
330.41339	0.5
365.15753	0.5
450.28867	0.6
505.13412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	6.2
59.17126	2.9
68.99568	98.3
69.79850	7.9
71.01379	3.3
84.00888	9.7
85.02926	7.0
85.14768	3.6
112.98568	100.0
113.02489	3.2
127.05133	27.0
128.03506	5.7
129.10373	4.9
133.00897	5.8
133.46831	3.6
136.59669	3.0
140.07178	7.9
155.08282	5.5
156.15729	3.2
166.06229	5.0
173.00354	10.2
183.15070	4.1
184.07338	17.1
186.12457	4.7
186.98303	11.9
191.05394	4.3
193.13445	13.3
207.14909	6.7
210.16104	5.9
222.12424	42.8
223.10876	3.2
224.17670	4.4
226.97807	27.9
228.17128	22.6
240.13530	46.7
242.18718	5.8
254.14960	5.5
286.99905	4.5
292.20163	4.6
310.06296	3.6
323.24490	6.7
381.25208	5.0
397.55103	3.9
410.24020	37.3
452.28757	51.7
605.36609	38.7
623.37817	66.4
649.39386	4.1
667.08844	14.2
667.40320	81.1
668.40411	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03433	1.7
59.01382	20.7
62.94075	0.7
69.03466	4.5
69.25433	3.4
71.01382	22.0
72.99288	0.9
73.02946	13.0
83.01388	3.4
85.02950	17.1
86.00076	0.6
86.03204	0.7
87.00867	2.1
89.02450	3.0
95.01392	2.3
96.95979	0.6
97.02949	1.2
99.00893	2.4
99.88713	0.7
101.02448	16.7
103.03995	1.0
110.20969	0.7
113.02445	10.3
115.04031	1.3
125.02383	0.7
129.01938	0.7
131.03464	0.9
143.03519	1.3
145.05083	0.9
157.26225	0.6
159.02972	1.8
161.04587	4.2
162.75311	0.6
163.06165	0.8
202.89622	0.7
263.91388	0.8
317.21182	16.4
318.21506	1.5
479.26450	22.9
480.26834	1.6
537.06396	0.7
625.32294	100.0
626.32593	12.5
669.38898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98021	4.5
70.28928	11.3
77.31219	4.1
84.93866	8.4
88.27100	4.9
98.06377	4.6
99.92592	61.8
100.93371	45.7
112.68513	5.4
115.92084	100.0
116.92864	18.0
129.05565	7.6
130.08728	8.2
187.62192	4.6
221.01865	4.7
241.28322	4.9
248.51439	4.6
280.28802	5.0
292.89584	4.6
309.74072	4.5
457.91296	5.1
620.34302	9.5
632.34558	11.2
650.35254	57.0
668.36499	52.8
669.37012	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94653	0.7
55.50509	0.6
59.01381	20.0
61.98829	0.9
62.87605	0.7
70.10085	1.8
71.01382	1.6
73.02955	1.2
76.97021	0.7
79.95683	0.7
85.02972	0.6
85.68602	0.5
89.02423	1.6
96.96023	2.3
98.21941	0.8
101.02422	0.8
116.92844	1.3
121.02984	0.8
122.38326	0.7
124.01698	1.2
125.02438	2.4
134.03746	1.4
149.02347	0.7
149.99622	2.6
152.01115	0.6
165.05629	0.9
167.03525	1.1
168.00633	2.4
171.04622	1.3
175.04012	0.8
182.03761	3.4
191.11134	1.3
195.04521	1.4
197.02440	0.8
197.09737	1.6
199.02223	0.6
199.04089	0.8
207.08133	22.8
208.08446	1.0
209.06087	1.6
210.06883	4.7
214.02698	1.0
215.10802	1.1
216.04297	0.7
221.06018	0.6
222.06883	0.6
224.08391	0.7
225.09224	19.9
226.02745	2.5
229.05049	22.3
229.61264	0.7
230.05586	1.4
235.09979	0.9
237.05626	1.9
241.05064	14.1
242.05513	0.7
243.10236	0.8
258.05289	1.8
267.10284	5.0
269.08160	4.0
269.11584	1.0
284.10547	96.6
285.10898	6.1
295.09891	1.4
312.12378	1.0
378.09503	19.7
379.09979	1.1
415.13934	2.7
447.16583	100.0
448.16885	8.9
469.84787	0.6
501.14890	0.7
507.21915	0.7
508.19434	0.7
569.56989	0.6
669.16589	4.7
670.17511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
57.03447	4.1
59.01379	62.1
68.39521	1.7
69.03473	2.4
69.19053	7.7
71.01384	60.8
73.02944	29.2
75.00879	3.1
83.01379	9.7
85.02954	31.2
87.00890	6.2
88.98814	12.7
89.02460	20.2
95.01385	5.1
96.96030	1.9
97.02969	7.3
99.00890	8.3
101.02448	40.3
111.00889	1.8
113.02448	28.9
116.92857	3.0
119.03515	2.8
125.02444	16.7
129.01949	1.9
131.03503	6.4
143.03473	6.9
149.04588	4.6
159.02950	3.6
161.04562	18.8
168.96120	1.7
191.05722	1.8
221.06744	2.6
289.16559	24.3
302.26642	1.6
331.17474	2.0
335.04047	1.5
355.16891	1.8
419.44949	1.6
421.20865	24.2
433.20776	33.0
451.21844	13.4
493.23022	9.3
565.25043	48.7
566.25281	3.9
583.26111	100.0
584.26703	6.8
609.27502	2.1
625.27057	26.9
626.27716	2.5
683.66071	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.0
61.98825	0.7
69.52283	0.3
71.01390	1.6
73.02965	0.4
75.00864	0.5
75.73809	0.4
82.95458	0.4
85.02955	1.2
88.98825	0.6
89.02454	0.9
96.96043	0.5
99.00894	0.5
99.92581	0.5
101.02473	1.1
107.15231	0.4
108.02190	1.2
109.02994	1.1
111.00955	0.5
113.02449	0.7
116.92854	2.4
123.61514	0.4
126.17289	0.4
136.05370	0.8
149.06096	0.5
151.04027	0.5
152.01195	2.0
166.80550	0.4
206.05841	0.8
247.73550	0.4
327.12433	0.6
339.08923	0.5
357.13525	1.1
387.18240	0.5
405.19193	0.5
408.39575	0.4
417.15677	1.3
432.18066	1.1
447.20197	20.9
448.20572	2.2
561.14471	3.4
576.86041	0.4
633.35083	0.6
669.35034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48548	0.4
59.01379	0.9
61.98829	100.0
68.88196	0.4
69.68622	0.7
69.69014	0.8
70.37977	0.5
79.91694	0.5
91.59543	0.4
96.69079	0.4
96.85226	0.4
96.96033	0.5
165.12825	0.6
196.43019	0.4
244.10916	0.5
291.19571	2.0
313.17975	1.8
605.39105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
70.55251	0.7
72.10748	0.4
73.02946	1.2
75.00854	1.1
77.66346	0.3
79.28768	0.3
79.72414	0.3
80.74789	0.3
81.02033	0.3
98.21989	0.5
99.00887	1.4
99.92585	12.4
100.92632	0.4
114.93433	0.4
116.92859	100.0
117.01945	2.9
117.92886	2.7
181.86551	0.3
184.77126	0.4
379.08221	0.9
583.58716	0.4
589.53107	0.4
593.56110	0.5
639.25311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.65598	0.4
60.01703	0.8
61.98831	7.7
64.92821	0.5
70.99004	0.6
71.01382	7.8
73.02948	3.9
83.01395	2.2
85.02950	5.6
87.00896	0.7
89.02447	0.9
96.96043	0.7
97.02971	0.4
99.00885	1.8
101.02443	9.9
105.45712	0.5
113.02458	2.9
116.92875	1.0
121.02898	0.5
123.65137	0.4
131.04597	0.4
143.03607	0.6
159.03044	0.7
161.04576	2.4
165.05583	0.5
167.03471	1.0
191.05695	0.8
211.95038	0.5
216.35547	0.5
243.02975	1.2
249.13414	19.1
250.13834	1.1
271.02518	2.2
291.14505	8.9
292.15097	0.7
299.02200	2.2
299.05240	0.5
300.02917	0.5
311.07721	0.8
314.04376	2.9
315.05191	1.4
609.14630	6.1
671.15906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01372	1.3
62.56787	0.2
67.03654	0.2
68.06042	0.2
68.07587	0.3
69.04520	1.9
71.01376	0.4
71.05036	0.3
87.00859	0.5
89.02466	0.3
97.06587	0.9
99.04498	0.4
101.02442	0.3
103.67149	0.2
111.04510	0.6
113.02408	0.3
117.54865	0.3
121.06588	1.0
122.03744	0.3
123.08173	1.7
135.04480	0.6
136.05301	25.9
137.06029	0.6
137.09712	0.4
141.09167	0.4
145.66151	0.3
147.08141	0.6
148.05333	0.6
149.06094	4.2
150.06862	2.6
151.07605	0.3
157.08728	0.5
162.06845	1.0
163.07645	1.4
164.08423	2.5
165.09210	23.3
166.09572	0.6
176.70589	0.3
187.09680	0.4
200.75073	0.3
229.10802	1.6
261.18649	0.4
278.18793	0.6
291.07040	0.2
303.19638	0.4
306.18436	1.6
321.20715	3.2
332.20029	0.3
341.23306	0.4
343.21219	5.3
350.20993	3.3
412.25925	0.3
425.26947	0.5
427.28522	2.3
430.27258	0.4
445.29578	2.4
448.28442	0.4
462.30182	0.3
463.30679	7.2
464.30774	0.6
490.29391	0.4
491.30038	2.4
493.43600	0.3
508.30478	2.2
509.31219	26.9
510.31583	1.9
531.98785	0.3
671.36481	100.0
672.36823	9.7
701.21228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01362	1.3
61.94600	0.5
61.98810	1.2
69.33889	2.3
85.02922	0.8
87.00874	1.1
102.57604	0.6
121.06594	1.0
122.03709	0.9
123.08155	1.4
135.04507	0.9
136.05298	23.7
137.06065	0.7
137.09766	0.9
144.68333	0.7
147.08092	0.8
149.06067	4.4
150.06819	2.6
162.06812	1.0
163.07652	1.3
164.08417	2.2
165.09204	23.7
166.09578	0.7
181.13060	0.7
184.11031	0.9
270.97198	0.8
307.18954	3.1
321.20728	0.8
336.19446	0.9
343.21262	5.3
350.21057	1.2
427.28470	1.0
429.31998	0.6
445.29559	1.1
448.28015	0.7
463.30658	8.4
470.28528	0.7
490.29172	0.7
491.30179	2.1
508.30298	1.8
509.31122	25.5
510.31601	3.4
621.06915	0.7
671.36450	100.0
672.36768	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.67720	0.1
63.51225	0.1
105.60995	0.1
115.80157	0.1
142.06340	0.1
175.02863	0.1
209.11926	0.2
219.04472	0.9
219.08147	0.3
232.05241	0.7
233.06079	0.8
234.06866	0.7
235.03954	0.2
235.07535	0.2
245.06136	0.5
246.06805	0.3
247.03972	2.8
247.07523	0.7
248.04787	0.6
248.08397	2.5
249.05545	0.9
249.09218	1.9
253.04956	0.2
258.03217	1.4
260.04791	2.8
261.05573	3.9
262.06320	2.1
263.07007	0.8
264.07849	0.3
273.05563	2.9
274.03384	0.2
274.06274	1.0
275.03534	6.3
275.07062	1.1
276.04257	4.6
276.07849	1.0
277.05063	2.7
277.08633	1.5
278.05490	0.2
287.21402	0.1
288.04260	0.6
289.05075	13.7
290.05838	11.8
291.06583	5.4
292.07431	1.5
293.04962	0.3
293.08261	0.5
302.05933	0.6
303.06729	0.2
304.03784	13.5
304.07416	5.7
305.04514	6.5
305.08185	3.3
306.05255	0.2
306.08923	0.5
308.06921	0.7
319.06116	29.1
320.06750	3.9
321.03992	0.2
321.07370	0.2
334.08456	3.5
335.09262	1.0
336.06598	0.6
338.07904	0.3
364.05881	5.8
365.06445	0.3
366.07446	3.8
367.07886	0.2
379.08224	100.0
380.08551	5.8
654.83734	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57965	0.1
57.03445	0.1
59.01376	1.8
61.98856	0.1
69.25117	0.6
71.01377	1.0
80.68425	0.1
85.02977	0.3
86.30936	0.1
89.02447	1.4
96.96016	0.2
101.02454	0.1
104.48283	0.1
107.21488	0.1
113.02451	0.2
131.03481	0.1
136.05295	1.2
137.05743	0.2
149.04648	0.1
149.06110	0.1
150.06787	0.1
165.09218	0.9
166.09563	0.4
219.04608	0.5
219.08095	0.2
221.06110	0.1
232.05214	0.2
233.05946	0.6
234.06987	0.6
237.05559	0.1
245.06151	0.4
247.03986	2.0
247.07660	0.5
248.04770	0.4
248.08405	1.9
249.05556	0.6
249.09177	1.9
253.05121	0.3
258.03214	0.8
260.04758	2.0
261.05530	3.6
262.06290	1.9
263.07071	0.7
264.07996	0.3
273.05527	3.0
274.03387	0.2
274.06348	0.9
275.01266	0.1
275.03546	5.1
275.07089	0.8
276.04291	3.0
276.07889	1.1
277.05048	2.2
277.08694	1.4
288.04285	0.6
289.05066	11.2
290.05826	10.8
291.06601	4.1
292.07349	1.6
293.04971	0.2
293.08182	0.6
302.05878	0.6
303.06461	0.2
304.03784	11.8
304.07428	5.3
305.04523	5.9
305.08185	3.3
306.05069	0.3
306.08963	0.8
308.06793	0.7
319.06110	25.0
320.06741	3.9
321.03958	0.2
334.08456	3.6
335.09152	0.8
336.06396	0.5
338.07895	0.5
364.05875	6.0
365.06161	0.4
366.07431	3.7
367.07919	0.3
379.08203	100.0
380.08563	5.5
463.10251	0.2
463.30542	0.2
465.31784	0.2
481.31729	0.3
509.31323	0.2
510.31552	0.6
511.32465	0.4
555.55438	0.1
672.36914	2.3
673.17889	0.8
673.37622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60229	2.0
59.01378	100.0
60.75546	2.0
61.98816	7.4
69.98685	2.5
71.01385	6.2
85.02976	3.8
108.02262	2.9
108.82448	2.0
111.00861	2.8
128.27002	2.3
131.35747	2.2
135.12505	2.4
146.80466	2.2
161.05988	2.1
168.39638	1.8
174.17981	1.9
189.07045	3.4
191.05608	2.1
209.11818	23.5
227.12898	4.1
247.07600	3.2
261.05563	2.8
264.04175	4.5
275.07104	4.1
277.83453	2.0
278.05826	3.7
279.06604	12.6
293.08188	5.6
294.09024	6.8
300.02533	2.9
307.05914	6.6
308.10526	14.0
309.11270	11.6
321.07669	3.0
322.08542	4.2
335.05536	3.4
335.09216	9.1
337.10797	48.1
365.10245	50.0
367.08148	2.8
371.46091	2.5
379.08170	2.9
409.09274	41.8
410.09509	4.2
650.99481	2.3
655.33038	5.7
673.32684	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01941	0.9
59.01377	100.0
61.98826	2.9
70.28656	1.1
70.28980	0.9
71.01383	1.0
79.59465	0.8
79.80062	1.0
89.02412	1.0
108.02169	1.3
189.07144	1.5
195.09843	0.8
205.06664	1.1
209.11838	6.5
211.19098	0.8
217.06564	2.2
218.07520	0.8
219.08183	0.9
220.89706	0.7
232.05247	4.5
233.06265	1.3
235.07643	2.0
236.04666	0.9
245.05983	1.2
247.07675	2.7
248.08287	1.9
249.05638	1.0
249.09299	1.0
250.06450	1.0
260.04828	1.0
261.05545	1.9
262.06354	2.1
263.07034	1.7
264.04303	4.4
271.06262	0.8
275.07144	4.9
276.07947	1.7
277.05359	1.9
277.08661	1.3
278.05847	2.3
279.06644	10.9
289.05081	1.5
290.05893	0.9
292.03885	1.4
292.07184	1.1
293.08157	5.7
294.08978	7.6
299.01892	0.9
305.08041	1.3
306.05310	2.1
307.06201	5.2
308.10513	11.9
309.07813	1.5
309.11230	10.9
310.11581	1.1
319.06137	1.1
321.07635	3.4
322.08435	2.5
332.06946	1.4
335.05441	1.8
335.09232	12.8
336.09930	2.8
337.10803	49.8
338.11407	2.1
365.10260	39.8
366.10681	2.8
367.08148	2.3
379.08090	1.7
409.09283	36.1
410.09570	2.3
474.22736	0.9
515.64227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73377	1.0
59.65873	1.1
83.22111	1.1
96.96001	1.4
103.00358	1.3
111.32140	1.0
125.88668	1.1
275.36832	1.3
308.37210	1.2
324.23859	1.5
360.14185	1.2
430.37589	1.3
466.16681	2.5
467.13168	2.1
470.70801	1.2
479.17307	2.6
480.42734	1.3
483.20242	3.5
493.18765	2.3
510.15045	10.8
511.16235	2.8
521.18176	2.9
523.16351	3.1
525.17999	2.8
526.14746	14.6
527.15228	1.9
537.18146	2.3
538.18311	1.9
539.19470	1.9
550.14929	3.2
565.17792	2.0
569.16632	11.2
570.18042	1.7
597.18890	1.5
641.19336	7.9
673.21490	100.0
674.21661	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73208	1.1
59.01365	2.9
71.01380	1.9
71.44164	1.1
89.02440	1.4
90.48818	1.1
94.06615	7.5
96.95986	1.3
106.06541	1.3
107.03767	24.6
108.04530	2.0
116.92802	1.3
120.04542	2.5
121.05331	1.7
122.02444	1.6
122.06120	75.9
123.06472	2.0
124.04026	2.8
134.06105	7.7
136.04027	3.7
137.94514	1.1
138.05600	1.5
139.02727	3.1
145.22226	1.2
150.05608	3.8
152.07166	100.0
153.07524	3.0
224.28178	1.2
234.35500	1.1
235.08788	2.3
242.10359	1.2
247.03996	1.7
247.53287	1.3
249.10266	1.2
260.04782	1.9
261.05490	1.8
262.06769	1.3
263.08142	2.5
264.08945	1.4
268.74142	1.1
273.05527	1.7
275.03406	4.8
275.07874	1.3
276.04236	1.9
277.04913	2.4
277.09705	3.8
282.91498	1.2
289.05023	7.2
289.09827	1.5
290.05743	6.3
291.06534	2.5
301.60675	1.3
304.03769	7.6
304.07269	2.5
305.04419	3.1
305.08060	1.0
317.11472	1.5
319.06097	15.1
320.06662	3.2
330.12695	1.3
334.08423	2.4
335.09280	1.3
341.88409	1.1
344.14032	1.4
354.12488	1.2
356.10330	2.9
356.14221	1.3
357.11261	2.2
358.11786	2.6
364.06018	3.2
366.07419	3.1
368.10168	1.3
370.11938	2.7
371.13263	1.2
372.13498	4.7
379.08203	70.1
380.08612	7.2
382.12589	1.3
383.13089	1.5
384.13367	2.2
386.10657	5.4
386.15140	5.0
388.16449	1.8
390.14639	1.2
398.11105	1.9
399.12216	2.6
401.13779	2.7
402.14566	3.8
404.16122	5.9
406.17361	1.5
414.14410	7.2
417.13284	4.7
426.14755	2.3
429.13644	1.3
430.14316	3.3
431.14749	1.4
432.15622	30.4
432.21832	1.4
433.15863	4.8
442.17389	1.8
444.15616	11.1
445.16452	2.5
463.17587	2.7
464.18149	4.5
475.25485	1.2
537.21771	1.7
538.22235	1.3
555.22430	1.9
556.23407	2.0
569.24023	5.0
597.23523	85.2
598.23712	11.7
629.26160	49.9
630.26825	7.7
641.22498	49.8
642.22571	6.3
673.25159	62.8
673.36798	3.7
674.25629	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01383	2.3
61.98810	1.2
67.20597	0.4
69.37169	0.8
69.37556	1.4
71.01382	1.2
73.02934	0.7
74.27094	0.4
83.21081	0.5
85.02953	1.2
85.43307	0.5
87.00876	0.6
87.76152	0.4
88.98758	0.5
89.75404	0.4
96.96009	0.7
101.02439	0.7
109.06583	1.0
111.04479	0.5
113.02425	0.7
118.46089	0.5
121.06641	1.1
122.03767	0.8
123.08156	1.5
134.03664	0.5
135.04478	1.3
135.08125	0.8
136.05299	30.4
137.06050	0.8
138.45923	0.5
147.08122	0.8
149.06088	5.8
150.03113	0.5
150.06891	4.2
152.07193	0.8
153.09207	0.5
162.06900	0.9
163.07649	1.6
164.08446	3.0
165.09210	24.4
166.09494	0.5
293.21176	0.7
345.22794	4.6
350.20996	0.6
351.21683	0.6
410.63736	0.5
412.29190	0.5
425.60645	0.6
445.29739	0.7
447.30936	0.9
450.29590	0.9
463.30612	0.8
464.31393	0.6
465.32181	12.5
466.32339	1.2
492.30713	1.0
493.31683	2.4
510.31827	3.3
511.32727	29.8
512.33185	4.1
543.24445	0.5
591.26379	0.5
655.39673	0.5
673.38013	100.0
674.38300	10.7
674.49432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.38
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
53.43533	0.5
57.03436	0.9
59.01359	0.7
69.33601	2.3
69.33971	1.1
71.01387	0.7
96.95998	1.2
111.04517	0.8
121.06615	1.5
122.03728	1.5
135.04523	1.6
136.05295	33.3
137.05872	0.7
143.20720	0.5
145.86974	0.5
148.05304	0.7
149.06081	5.7
150.06828	3.6
162.06883	1.5
163.07684	0.9
164.08456	2.8
165.09204	27.2
166.09549	0.9
211.77515	0.5
252.82738	0.5
299.10397	1.6
317.11465	4.0
328.03171	0.6
345.22760	6.7
371.75827	0.5
405.71045	0.6
447.30942	1.2
450.29980	1.3
465.25931	0.9
465.32178	12.0
466.32910	1.1
492.30939	1.3
493.31857	2.3
510.31891	3.2
511.32690	28.5
511.40350	1.4
512.33197	3.7
614.21295	0.7
673.37994	100.0
674.38275	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11335	0.9
57.03447	1.8
59.01377	3.1
65.94942	1.1
69.03410	1.0
69.28140	2.4
69.28541	3.7
71.01381	20.5
71.04996	1.1
81.03476	1.0
83.05030	2.2
84.02191	1.5
85.02937	2.7
86.56673	1.1
93.03468	1.3
95.01404	1.0
95.05019	5.6
97.06611	1.0
97.39117	1.0
99.04522	1.6
99.08144	2.0
109.02915	1.1
109.06596	1.6
111.08144	1.0
113.02454	1.7
113.06082	1.9
115.07647	1.4
121.02930	1.3
123.04519	8.6
125.09705	2.8
125.99308	2.2
127.07650	8.5
129.10405	1.1
135.08131	1.7
137.09743	1.0
139.07626	2.2
141.09193	1.5
153.09233	6.8
155.10849	1.2
163.11252	1.7
165.10210	1.5
165.12843	2.4
171.10255	6.8
173.04623	1.4
179.10704	1.5
183.10320	1.2
185.11838	5.5
191.05513	1.5
191.14392	1.6
193.08430	2.0
195.06393	1.1
197.11830	8.6
207.09998	16.2
208.10318	1.1
209.11813	26.3
219.10049	5.3
221.07930	10.0
227.12756	1.3
231.09978	2.5
232.10741	1.6
233.11720	1.6
235.09448	2.5
238.12234	2.0
245.19148	1.9
248.77652	1.1
249.10983	1.5
259.09406	1.1
259.12991	1.3
260.10275	38.2
261.10477	1.3
264.09802	3.0
278.11359	100.0
279.11700	3.6
279.19644	1.0
289.18054	5.1
299.01907	1.4
301.18008	1.6
307.19131	44.5
308.19489	2.7
319.18820	1.7
325.20193	54.8
326.20523	4.2
329.17337	87.1
330.17776	5.7
343.10849	1.1
347.18384	55.9
348.18393	3.4
465.55078	1.2
503.38632	1.0
593.36584	12.3
594.37463	1.4
604.30975	1.6
673.39508	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81149	0.6
59.01377	7.3
61.98544	0.8
61.98830	12.5
69.32160	3.2
69.73843	0.7
71.01345	0.6
80.05051	6.8
80.67453	0.6
81.11988	0.6
83.16607	0.6
85.02949	0.8
92.64008	0.6
93.03437	0.6
94.02986	3.3
94.06615	2.9
96.85767	0.7
104.05030	2.6
106.06611	2.6
107.03782	4.4
108.04543	2.3
120.04553	1.4
120.08154	1.6
121.05285	1.6
122.06117	23.8
124.04021	2.8
124.07640	1.0
130.06570	1.0
132.04521	1.5
134.06123	5.2
136.04036	5.7
137.04814	1.3
138.05672	4.6
147.05586	2.4
148.03993	1.9
148.07788	0.6
150.05624	10.3
152.07169	39.2
153.07523	0.9
160.04079	1.3
161.03517	0.9
162.05585	0.9
164.07143	0.6
168.06628	1.1
170.09795	1.0
174.05582	3.0
174.26282	0.5
175.05128	1.1
176.05907	2.1
186.05583	0.8
186.12889	1.3
190.05045	2.5
192.06633	1.1
201.10335	14.7
202.10594	0.9
202.12395	0.7
211.08731	1.3
213.10326	7.8
214.10907	0.7
215.11902	1.0
217.09854	1.0
223.08731	1.8
224.09488	1.4
225.10335	0.9
226.07361	0.8
227.11850	6.1
228.12502	0.6
229.09814	16.8
229.13338	8.2
230.10150	0.8
237.10329	1.8
239.11891	7.3
240.67693	0.6
241.09808	1.8
243.11263	0.7
245.12924	10.5
247.10831	3.0
249.06631	0.8
249.10153	0.8
255.11401	6.5
257.12921	5.7
265.09753	2.5
267.11343	2.0
273.12500	5.6
279.11691	0.8
281.12839	1.5
285.12454	1.1
287.10391	1.7
289.11862	5.1
295.10889	4.3
296.11423	0.8
297.12424	1.4
301.11890	15.3
304.11224	0.7
309.12515	2.0
313.11963	5.2
316.10983	0.8
318.12265	0.9
319.12952	79.1
320.13254	3.5
323.10254	7.0
324.10849	1.0
325.11926	2.2
327.13388	4.8
330.12436	1.8
331.13141	0.8
332.13943	1.5
339.13559	0.7
344.10245	1.2
344.13992	1.5
351.21716	3.2
355.12970	5.0
358.12042	1.5
359.12540	1.5
360.13266	0.9
362.15268	0.8
372.13275	1.3
372.17416	1.0
373.14322	1.1
374.15076	9.1
386.11209	1.6
391.15375	2.7
392.16101	9.8
400.12610	1.5
403.15042	1.8
404.16040	1.2
416.16132	6.4
418.13962	2.5
428.16498	0.9
433.16010	0.8
434.17209	5.6
446.17059	2.3
484.90088	0.7
531.26239	1.9
539.23047	2.5
557.24036	16.6
558.24670	1.7
575.25531	1.6
581.23700	4.3
583.21808	1.6
599.25085	70.5
600.25555	8.1
601.23602	0.8
602.23938	2.5
613.30695	1.3
615.24957	1.3
625.23132	1.3
643.24048	100.0
644.24371	13.4
674.37885	2.1
675.26733	37.5
675.37762	1.6
676.27301	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.8
61.98832	2.7
66.00945	1.4
69.21388	6.5
70.49831	1.4
71.01359	2.7
78.22346	1.2
80.05065	11.1
85.02926	2.6
88.98816	1.3
89.02417	1.6
94.02962	3.0
94.06610	3.9
96.96021	3.4
98.35194	1.4
104.05055	4.1
106.06631	4.4
107.03758	8.1
108.04541	4.4
113.93475	1.5
114.72077	1.3
116.92825	2.7
120.04623	1.6
120.08196	2.0
122.06115	45.8
124.04073	6.7
132.04558	2.5
134.06096	6.9
136.04025	8.9
136.07716	1.7
137.04820	2.7
138.05603	5.2
146.06107	2.4
147.05644	2.1
148.04070	4.9
150.05585	16.4
152.07170	71.5
160.03992	2.8
168.06627	2.6
174.05617	6.7
175.05104	1.6
176.05795	2.2
185.00737	1.9
186.05719	1.6
186.12817	2.2
190.05159	3.5
191.02095	1.4
194.15295	1.5
201.10324	12.7
202.12370	3.6
211.08694	2.3
213.10368	7.9
223.08733	1.7
224.09489	1.6
227.08496	1.7
227.11934	6.0
229.09808	18.9
229.13321	8.5
237.10281	2.4
239.11874	7.6
241.09845	2.3
245.12985	13.5
247.10789	3.9
255.11369	10.2
257.09406	1.8
257.12866	7.2
259.10904	1.7
265.09915	2.4
267.11340	2.8
269.12839	2.3
273.12418	8.8
275.14072	3.9
279.11295	1.5
281.12885	2.2
285.12408	3.1
287.10300	1.9
289.11951	5.2
295.10703	5.7
297.12335	2.0
301.11908	20.0
309.12430	1.7
313.11780	10.7
316.10797	2.3
317.11765	1.7
319.09872	3.4
319.12955	99.0
320.13248	4.3
323.10413	7.3
325.12024	3.6
327.13541	5.0
330.12576	2.3
331.13156	2.4
344.10120	1.9
344.13870	2.0
355.13000	7.0
356.13821	2.5
358.11984	2.3
359.12708	4.2
360.13498	2.3
362.15186	3.7
372.13556	2.2
372.17691	1.8
374.15128	15.7
391.15359	5.0
392.16113	16.9
400.12799	2.6
403.14603	2.0
416.16101	9.1
418.14151	4.0
428.16119	2.3
431.87994	1.8
434.17270	8.4
446.17038	2.2
531.26178	3.8
539.22949	2.3
543.22321	2.2
555.26373	1.9
556.24023	3.6
557.24011	28.3
558.24579	4.5
575.25140	1.9
581.24097	6.2
599.25043	66.0
600.25391	8.1
601.23291	3.5
602.23981	9.9
603.23462	1.7
615.24799	2.3
625.22949	2.2
631.27960	3.4
643.24042	100.0
644.24280	9.7
675.26617	86.8
676.26733	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	0.5
59.01381	5.3
61.98814	0.7
63.13110	0.3
65.04375	0.3
69.03477	0.3
70.50890	0.5
71.01376	0.6
83.01367	0.4
83.05018	1.0
85.02946	0.7
89.02465	0.3
94.02978	2.0
98.02523	0.4
100.20096	0.3
103.01487	1.8
108.04559	2.5
110.06110	0.3
113.02395	0.3
114.60927	0.3
120.04529	0.9
122.06115	9.3
123.06392	0.4
124.04051	1.5
132.04518	0.3
132.80811	0.3
133.04076	0.4
134.06120	1.4
135.06963	0.5
136.04027	4.1
136.07675	11.4
137.04822	0.6
138.05609	2.9
147.05692	0.4
148.04018	0.5
150.04411	0.5
150.05603	9.5
152.07214	2.0
158.06160	0.4
162.05547	0.5
163.08844	0.3
171.06783	0.4
171.33945	0.3
172.07617	0.4
173.04552	0.3
174.09232	0.8
175.05141	0.6
176.03558	0.9
177.01923	2.1
185.09715	0.3
186.04384	0.5
186.09238	3.2
187.11339	0.6
190.05104	0.6
191.02026	0.4
191.05539	0.6
200.10739	0.3
201.06584	2.5
201.08246	0.4
202.07463	1.6
202.08865	1.1
202.12370	2.4
205.09775	0.4
209.11810	0.4
212.10782	1.5
213.06624	0.6
214.07445	1.3
214.09026	0.6
215.08148	2.7
216.08997	0.6
228.10301	3.7
229.09805	13.7
230.12021	8.1
231.11749	0.6
239.08217	0.4
240.09013	1.3
243.07684	0.4
244.08517	1.1
245.09303	5.7
245.13017	0.8
255.11365	3.4
257.09314	8.0
258.09915	1.8
259.10779	0.8
267.23138	0.3
273.12433	20.0
274.10413	0.4
274.13013	0.6
275.10318	1.6
291.13602	0.5
299.10541	0.5
317.11420	14.7
318.11673	1.2
334.11630	1.1
335.12479	100.0
336.12805	6.1
339.13477	1.3
485.98602	0.3
506.31244	0.3
643.24487	0.4
675.24908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23668	0.2
55.01876	1.3
57.03447	1.5
58.00589	0.9
59.01378	63.9
60.01697	0.3
60.46844	0.2
68.99812	0.5
69.03450	2.6
71.01380	40.3
72.01717	0.4
72.99300	1.4
73.02946	7.6
75.00859	1.0
79.01879	0.2
81.03455	1.8
83.01385	4.9
83.05015	0.6
85.02949	8.9
86.00092	0.6
87.00875	8.8
87.04512	0.5
89.02444	36.6
90.02760	0.3
91.04005	0.7
91.11082	0.2
92.02831	0.2
93.03446	0.5
95.01385	3.0
95.05043	0.4
97.02945	6.7
99.00877	2.3
99.04527	0.6
101.02441	32.4
102.02814	0.2
103.00364	0.3
103.04017	0.5
109.02972	0.7
111.00876	0.7
111.04538	0.9
113.02447	16.7
114.02764	0.3
115.03995	0.6
119.03499	10.7
121.02953	0.7
123.00903	0.3
123.04512	0.2
124.01678	0.4
125.02446	14.4
127.04002	0.4
127.07735	0.2
131.03525	1.9
133.05077	1.3
137.02481	0.4
139.04015	0.9
141.01956	0.8
142.02777	0.2
143.03502	6.1
149.04604	1.1
151.04021	0.2
155.03441	0.2
157.05058	0.4
161.04561	7.9
167.03500	0.8
169.05029	0.7
171.03003	0.3
179.05608	6.7
181.05069	0.5
185.04585	1.0
199.06148	0.6
203.05595	0.6
217.07018	0.9
219.05084	0.4
221.06668	3.1
233.22760	0.4
235.08217	15.5
236.08656	0.3
245.06602	1.0
253.09294	3.7
258.94803	0.2
259.20618	0.5
263.07660	1.7
275.19995	0.2
277.09705	1.0
277.21707	100.0
278.22025	4.7
283.08240	0.2
286.09128	0.2
287.07721	3.7
291.23187	0.4
305.08774	4.5
323.09732	1.8
333.01990	0.2
361.11401	0.8
379.12436	1.1
397.13486	93.9
398.13760	4.1
415.14548	37.5
416.14685	1.7
651.83057	0.2
675.35870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57705	0.2
51.97685	0.2
52.53507	0.2
55.01881	1.9
56.15912	0.2
57.03452	1.2
58.00594	0.8
58.48740	0.3
59.01380	65.7
60.01701	0.6
67.01907	0.4
68.99826	0.4
69.03458	3.1
71.01382	39.6
72.99319	1.3
73.02946	7.0
74.25096	0.2
75.00897	0.7
81.03455	1.9
83.01385	5.0
85.02950	9.1
86.00108	0.4
87.00878	10.9
87.04497	0.3
89.02445	36.0
91.04042	0.5
93.03440	0.3
95.01388	3.3
95.05028	0.4
97.02953	7.2
99.00878	2.1
99.04494	0.5
100.86090	0.2
101.02445	33.5
102.02786	0.6
103.04035	0.8
109.02951	1.0
111.00871	0.7
111.04502	1.4
112.01681	0.3
113.02451	18.0
114.02777	0.4
115.04018	1.0
119.03504	11.6
121.02955	0.7
124.01663	0.4
125.02451	14.3
127.04007	0.6
127.07669	0.4
131.03529	2.0
133.05092	1.5
139.04027	1.1
141.01939	1.0
141.05597	0.3
143.03500	6.0
144.03821	0.3
149.02458	0.3
149.04546	1.0
151.04033	0.3
157.05145	0.3
161.04576	8.0
163.52573	0.3
167.03503	1.1
169.05022	0.5
171.03006	0.5
179.05611	7.0
185.04553	1.1
199.06059	0.4
203.05688	0.3
217.07181	1.0
219.04967	0.4
221.06641	2.4
233.22946	0.3
235.08223	15.7
236.08652	0.4
245.06676	0.9
253.09270	3.9
259.08362	0.3
259.20581	0.4
260.10257	0.2
263.07681	1.5
275.20251	0.7
277.09323	1.1
277.21722	100.0
278.22034	4.8
287.07724	3.1
291.23337	0.3
305.08823	4.0
323.09793	1.8
361.11349	0.5
379.12491	1.3
383.38815	0.3
391.48721	0.3
397.13489	93.9
398.13739	3.9
415.14557	37.5
416.14722	1.7
494.48071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
56.16164	0.9
57.03444	13.6
59.01374	8.2
61.82091	0.8
61.98832	3.2
66.74808	0.9
71.01375	3.6
72.99314	1.8
75.00872	3.3
82.99467	0.7
83.01390	1.6
84.02161	1.4
85.02945	100.0
86.03321	1.2
87.00880	1.8
93.03453	1.9
96.96001	1.5
101.02426	1.2
103.00359	2.1
108.02177	1.2
109.02934	2.1
111.00924	1.6
115.00357	1.3
117.26402	0.8
129.01939	16.1
135.04504	1.1
147.02991	31.3
147.04324	1.8
173.00914	2.7
191.01968	58.0
191.05626	3.4
192.02371	1.8
210.61395	0.8
223.61862	0.8
327.21677	0.9
372.19400	1.5
409.23795	2.5
441.26559	1.3
485.25507	13.1
486.26196	1.2
492.53592	0.9
499.69269	1.0
658.69562	1.1
659.27185	1.5
677.27679	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88438	0.4
52.12304	0.4
55.01879	2.2
57.03447	14.0
59.01377	8.9
61.98824	4.0
63.90674	0.4
68.99814	0.5
69.29472	0.9
69.29850	1.1
71.01378	2.5
72.99314	2.5
73.02945	0.9
75.00871	1.2
79.94453	0.4
83.01392	1.4
84.02171	1.9
85.02948	100.0
86.03265	1.0
87.00893	1.5
98.40904	0.5
99.00907	0.7
101.02430	0.9
103.00336	2.1
111.00883	0.8
115.00356	1.2
119.05053	1.0
121.02972	0.6
125.94902	0.4
127.28545	0.4
129.01939	11.5
134.03722	1.1
136.01688	0.8
147.03000	16.1
147.04420	1.1
149.02467	0.5
149.06093	0.7
157.63123	0.4
163.02509	0.6
173.00908	2.3
175.04124	0.6
178.02760	0.5
191.01974	64.5
192.02542	0.8
192.04288	2.0
193.05038	1.0
209.03000	2.6
321.07349	0.4
340.07993	2.2
366.05811	0.5
367.15344	1.4
384.06985	5.5
441.26584	1.6
485.25354	1.2
677.28259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2824
Annotation	1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin
Peak:m/z	Relative Intensity
59.01373	3.7
69.35829	2.9
69.36228	2.4
70.90093	1.1
80.05043	3.3
82.02975	2.6
85.02958	1.9
86.61189	0.9
94.02981	36.7
94.06603	3.9
96.04543	2.4
96.96011	1.9
98.22678	1.2
101.02431	1.9
103.07710	1.0
104.05047	1.7
105.05874	1.4
106.06627	1.2
107.03768	8.4
113.02368	1.0
117.37212	1.0
120.04539	1.3
120.08193	29.2
122.06123	38.0
123.06514	1.2
123.93475	0.9
124.07661	1.9
132.04543	3.6
134.06157	7.8
136.04039	1.4
138.05612	13.0
148.04010	1.2
152.07167	81.5
153.07506	2.0
158.02357	1.3
160.03952	1.2
164.07198	2.6
174.05670	1.4
177.05591	1.5
185.13766	1.3
187.08798	1.2
190.05151	4.7
191.02013	1.3
209.07225	1.3
211.12395	1.2
213.13997	1.1
223.08798	5.3
224.09521	2.7
225.10269	3.0
235.08730	1.3
235.12384	1.4
236.09494	1.8
237.10347	9.2
238.11044	4.5
239.11923	10.3
245.12912	3.6
249.06761	1.4
249.10446	1.3
250.07484	1.3
251.08177	3.4
251.11942	6.0
263.08228	3.9
263.11972	2.2
264.09003	8.6
265.09772	6.0
266.10327	1.3
267.11133	3.1
276.08862	1.7
277.09747	4.9
278.10587	3.8
279.11374	27.7
280.11996	3.3
281.12805	2.9
283.10852	1.5
291.11615	6.9
292.08691	1.1
292.12170	3.9
293.09641	1.1
293.12970	2.3
295.10822	5.1
297.12616	1.8
303.13400	1.9
305.09418	1.6
313.11893	1.7
319.13107	1.8
323.10400	8.1
324.10950	3.0
325.11844	3.5
355.12933	3.9
372.17108	1.7
376.16592	2.3
388.16718	1.9
389.17307	1.7
402.18286	7.1
403.18893	1.2
417.20972	2.3
443.18564	1.4
444.19540	8.1
445.19873	3.0
448.18692	4.8
460.42313	1.1
461.19501	4.5
462.20102	2.5
471.17844	1.8
488.18124	10.7
489.19052	10.6
520.20825	21.8
521.21368	2.0
541.24634	8.5
542.24463	2.0
583.25275	9.5
585.23438	21.3
586.24042	4.3
601.26532	8.3
617.26056	30.1
618.26282	4.1
627.24469	21.8
628.24902	3.6
645.25610	100.0
646.25879	14.7
659.27277	16.4
660.27228	3.0
677.28180	42.8
678.28363	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
59.51346	0.9
61.98814	2.1
63.91750	0.8
68.99152	0.8
69.56276	0.9
70.34235	0.7
70.68804	1.4
78.95903	51.8
96.96952	10.8
152.99594	46.4
178.96049	1.0
204.68082	1.0
241.01181	25.4
279.23282	56.4
280.23608	4.2
315.04855	6.3
337.01346	1.1
355.02878	2.6
393.12360	1.1
415.22952	1.9
434.60690	1.0
534.59131	1.2
579.28741	1.1
595.28870	100.0
596.29340	11.2
617.25916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38665	0.8
54.96743	0.9
59.01378	1.6
69.23907	3.1
69.24311	1.8
71.01366	1.0
75.42406	0.9
75.42828	0.8
78.95903	48.0
80.29150	0.8
80.96529	1.3
81.15848	0.8
82.14536	0.9
96.96963	8.6
100.70094	0.9
152.99585	45.0
153.99966	0.8
184.83415	0.9
223.00067	1.8
241.01164	22.8
279.23273	46.1
280.00842	1.0
280.23602	3.9
280.99100	1.2
315.04919	7.9
355.03195	1.4
415.22647	1.3
575.02582	1.1
579.28296	1.7
595.28870	100.0
595.77631	1.2
596.29083	12.1
617.26154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41214	0.5
52.89962	0.5
55.01868	0.9
57.03434	1.0
59.01379	47.2
61.98816	1.0
67.95937	0.5
69.03445	2.1
70.46492	0.7
70.46828	1.0
71.01379	33.0
72.99312	1.0
73.02949	6.8
75.00866	1.3
78.95903	1.2
80.96515	1.0
81.03458	1.7
83.01378	4.3
85.02950	7.5
87.00867	7.8
89.02440	30.9
91.04004	0.5
95.01385	2.5
97.02938	6.0
99.00875	1.9
101.02442	28.1
111.04533	1.1
113.02444	15.4
116.92819	0.8
119.03499	9.1
125.02438	10.4
127.04073	0.5
131.03497	1.2
133.05064	1.2
139.03976	0.9
143.03496	5.2
149.04520	0.7
151.86775	0.5
152.99554	0.9
161.04559	8.0
167.03589	0.9
169.05125	0.8
179.05566	6.2
185.04581	0.6
199.06189	0.8
217.07088	1.3
219.04779	0.6
221.06665	2.4
235.08220	11.6
241.01274	0.7
253.09300	2.8
263.07687	1.0
277.09204	1.0
277.21634	0.7
279.23279	100.0
280.23648	7.1
287.07620	3.0
305.08734	4.5
323.09869	1.1
348.43802	0.5
379.12573	1.0
397.13467	94.3
398.13840	6.1
415.14539	34.7
416.14954	2.3
507.50510	0.7
562.25671	0.6
577.27417	1.1
593.27362	1.5
696.66974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03442	1.1
58.00595	0.6
59.01378	50.5
60.01724	0.3
61.98830	0.4
68.99809	0.5
69.03458	1.9
69.50844	0.9
71.01379	33.4
72.01710	0.4
72.99305	1.3
73.02945	5.7
75.00884	1.0
78.95922	0.3
80.96534	0.4
81.03466	1.4
83.01382	4.3
83.01828	0.5
83.05081	0.3
85.02944	8.0
87.00878	7.8
87.04504	0.4
89.02441	29.7
90.02785	0.2
91.04010	0.7
93.03465	0.4
95.01391	2.5
97.02945	5.9
98.22615	0.4
99.00890	1.7
99.04522	0.6
101.02441	27.9
102.02760	0.3
103.04030	0.3
109.02941	0.5
111.00837	0.5
111.04509	1.2
112.57606	0.2
113.02446	13.9
114.02763	0.3
115.04024	0.7
115.33961	0.2
116.92828	0.3
119.02645	0.5
119.03503	9.2
120.03844	0.3
121.03024	0.4
123.00867	0.3
124.01663	0.5
125.02447	10.8
127.04011	0.5
129.01907	0.4
131.03506	1.7
133.05077	1.0
135.04491	0.3
139.04044	1.2
141.01942	0.5
143.03491	5.6
149.02473	0.3
149.04535	1.1
152.99599	0.4
157.05080	0.3
161.04543	6.4
167.03528	0.5
169.05070	0.7
171.02948	0.2
179.03297	0.3
179.05620	5.6
185.04543	0.5
199.06070	0.7
200.72037	0.3
203.05641	0.3
210.72095	0.2
217.07219	1.0
219.05086	0.6
221.06616	2.1
225.55521	0.2
235.08220	12.3
236.08437	0.4
245.06654	0.7
253.09279	3.4
259.08292	0.2
263.07596	1.2
271.60489	0.3
277.09229	0.9
279.23279	100.0
280.23639	6.7
287.07724	3.5
293.24808	0.5
297.09924	0.2
297.74106	0.2
305.08749	4.5
323.09900	1.5
361.11456	0.5
379.12500	1.0
397.13470	87.2
398.13849	4.4
415.14539	34.1
416.15103	1.7
579.26904	0.3
595.28815	0.8
603.19519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48602	0.5
55.52692	0.7
57.03436	2.0
59.01379	3.7
69.03441	1.5
71.01380	1.7
71.05000	0.9
81.39053	0.5
83.05041	0.9
84.02182	0.7
85.02953	7.3
89.92177	0.5
92.35489	0.5
93.03426	0.8
95.05014	1.2
97.02965	2.1
97.06573	3.3
101.02446	0.6
122.75539	0.5
125.09738	1.4
127.11278	1.1
129.01913	0.7
135.04497	0.8
137.09723	2.5
139.11292	0.8
147.03014	0.7
153.12817	0.9
162.10426	0.7
163.11270	1.4
165.09117	0.9
165.12839	12.7
166.13133	0.7
171.10271	8.4
179.10587	1.8
183.10071	0.7
183.13895	2.0
185.11819	1.6
187.11166	1.1
191.01978	1.3
191.05522	1.0
191.07021	1.0
193.08456	10.5
193.12209	2.2
197.11908	1.3
203.10640	2.3
205.08611	0.6
205.12129	4.5
207.10027	11.3
209.02974	1.0
209.11826	1.5
211.13385	13.0
212.13840	0.7
215.10532	1.7
219.10022	4.2
221.11674	9.7
229.14389	9.7
231.10036	8.1
233.11583	67.1
234.11893	2.8
239.12872	1.9
243.10063	2.5
247.09456	1.3
248.10324	1.7
249.11177	10.3
251.13008	11.9
261.11078	15.7
262.11646	1.1
291.19717	2.0
301.91074	0.7
313.17798	3.7
327.21756	70.3
328.22141	4.3
331.18961	6.1
332.19205	0.9
349.19940	100.0
350.20297	6.5
479.62155	0.8
677.30774	0.6
677.41998	12.3
678.42188	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74405	0.1
53.06693	0.1
57.03429	0.1
58.02956	0.2
59.01375	0.8
64.17410	0.1
68.47049	0.1
69.40392	0.5
71.01369	0.4
73.02948	0.2
73.73058	0.1
80.05038	0.3
81.03456	7.0
82.06624	0.5
83.05025	20.4
84.05353	0.4
85.02979	0.3
89.02435	0.2
96.95975	0.3
100.07667	0.3
101.02452	0.3
107.06133	0.4
108.04560	0.5
113.02455	0.2
125.07200	1.0
126.05611	0.3
139.72350	0.1
143.08258	0.6
191.05669	0.1
205.12305	0.3
207.15007	1.2
208.13411	0.2
224.17680	2.8
225.16071	13.2
226.16437	0.6
242.18684	0.7
243.17140	0.1
245.16002	0.1
250.15503	0.2
251.14091	0.2
290.22311	0.3
291.20731	0.2
306.37201	0.1
309.21866	0.8
324.26584	0.6
333.22888	0.8
335.12436	0.2
339.27576	0.2
341.29257	1.0
351.24084	0.2
367.27063	1.1
385.28049	0.2
407.33701	0.3
433.31845	1.6
434.32071	0.2
450.34460	1.4
451.32880	6.4
452.32828	0.5
461.27780	0.1
461.89584	0.1
476.32910	0.2
550.43475	0.9
559.39655	0.4
565.44324	0.3
567.45923	0.2
593.43848	0.6
659.48651	1.4
677.49640	100.0
678.49939	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41826	0.6
56.55101	0.6
57.03425	0.6
57.45800	0.6
59.01377	100.0
61.98828	65.0
69.03454	1.7
70.25664	0.7
70.25990	1.1
71.01380	25.4
72.99287	0.9
73.02945	66.7
75.00866	1.0
83.01388	13.7
85.02946	6.5
85.92522	0.6
87.00923	0.7
89.02444	7.1
97.02937	0.7
101.02440	46.7
113.02448	16.3
119.03509	5.1
122.26023	0.8
125.02479	1.8
131.03506	4.9
135.04518	0.7
143.03500	6.8
147.03090	0.9
149.04556	8.3
155.03520	1.5
161.02548	0.8
161.04570	16.6
161.05847	1.1
191.02037	0.8
203.05701	2.1
209.02997	1.0
221.06752	2.4
264.61945	0.6
307.95520	0.6
314.05008	0.6
346.00970	0.8
546.46356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47656	0.3
56.30576	0.3
59.01353	0.3
85.02950	0.5
98.22610	0.7
98.51385	0.3
130.96381	0.3
228.83472	0.3
234.06947	0.3
245.06253	0.3
247.03990	1.3
247.07768	0.4
248.08482	1.4
249.09186	1.4
258.03226	0.4
260.04733	1.6
261.05563	2.1
262.06326	1.0
263.07162	0.7
271.73648	0.3
273.05542	2.8
273.39099	0.3
274.06320	0.9
275.03513	4.0
275.06866	0.5
276.04199	1.8
276.07742	0.8
277.05066	1.6
277.08609	1.3
288.04276	0.4
289.05084	8.6
289.08218	0.7
290.05835	9.3
291.06534	3.5
292.07382	1.4
293.07916	0.4
302.05923	0.4
304.03775	7.2
304.07404	5.6
305.04495	4.0
305.08115	3.1
306.05099	0.4
306.08759	0.8
308.06949	0.5
319.06113	20.2
320.06747	3.7
334.08435	3.7
335.08942	0.9
364.05872	4.7
366.07458	3.6
379.08228	100.0
380.08578	8.9
414.84918	0.3
434.96860	0.4
490.12723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
59.52251	0.2
59.94877	0.2
65.54053	0.3
84.36388	0.3
85.02956	1.2
191.01988	0.7
209.03003	0.4
233.05792	0.2
234.06789	0.3
245.06151	0.3
247.04022	0.9
248.08379	0.9
249.09178	0.8
258.03235	0.5
260.04803	0.7
261.05579	1.5
262.06354	0.9
263.07047	0.4
267.14096	0.3
273.05554	2.0
274.06348	0.4
275.03537	3.0
275.06818	0.5
276.04227	1.5
276.07886	0.8
277.04999	1.5
277.08609	0.8
288.04153	0.5
289.05081	6.9
290.05832	7.0
291.06555	2.4
292.07425	1.0
293.08310	0.3
302.05920	0.4
304.03778	5.3
304.07425	4.4
305.04526	3.2
305.08157	2.8
306.05090	0.4
306.08765	0.6
308.06888	0.4
319.06107	15.1
320.06754	3.4
334.08466	2.8
335.09045	0.6
338.07687	0.3
364.05850	4.8
365.06372	0.7
366.07346	3.4
367.07855	0.3
379.08212	100.0
380.08533	8.4
643.16821	1.3
643.27600	0.3
679.14441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45867	0.4
58.35458	0.3
59.01378	3.3
69.53971	1.5
71.01387	0.8
73.02938	0.4
83.05018	0.6
89.02459	0.5
91.09383	0.4
94.03015	2.0
95.05014	0.4
95.60426	0.4
98.21903	0.6
102.87215	0.3
108.03881	0.3
108.04532	1.9
108.73992	0.4
110.06105	0.6
113.02444	0.6
120.04572	0.9
122.06129	8.3
124.04034	1.0
133.04129	0.5
134.06146	1.4
136.04068	3.0
136.07684	7.9
136.31738	0.4
138.05614	2.1
148.07765	0.4
150.05609	7.2
152.07152	1.3
161.04684	0.4
163.08813	0.5
174.05710	0.5
174.09230	0.7
176.03564	0.5
186.09270	2.3
201.06590	2.2
202.07420	1.5
202.08955	0.9
202.12364	1.9
203.05923	0.5
212.10854	1.1
213.06732	0.5
214.07330	0.8
215.08305	1.9
228.10320	2.5
229.09795	11.9
230.12003	7.7
231.11203	0.4
239.08296	0.4
240.09125	0.7
244.08667	0.4
245.09297	3.7
245.12874	0.8
246.43654	0.3
255.11375	3.6
257.09317	6.2
258.09949	1.5
259.10898	0.6
273.12448	17.5
274.10815	0.5
275.10355	1.3
291.13541	0.4
317.11435	13.6
318.11868	0.6
334.11786	0.6
335.12488	100.0
336.12759	4.4
337.08340	0.4
342.02756	0.4
343.12967	1.3
517.13470	0.7
619.24249	0.7
679.25671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
60.41743	0.4
71.01384	0.8
72.14310	0.5
77.33429	0.4
82.11253	0.5
83.05031	0.7
84.86601	0.5
85.02976	1.0
86.36185	0.4
89.02454	0.5
94.02975	1.9
95.05009	0.4
96.90546	0.5
96.96017	0.9
98.02496	0.5
101.02419	0.6
108.04546	2.4
120.04546	0.6
122.05302	0.9
122.06123	9.8
124.04048	1.2
132.04546	0.7
134.06113	1.2
135.06921	0.7
136.04027	4.1
136.07672	10.6
138.05597	2.6
145.21855	0.5
150.05597	9.0
152.07169	1.8
155.59116	0.5
159.10286	1.0
174.09259	0.7
176.03532	0.7
186.09258	3.3
188.10773	0.5
201.06544	2.6
201.11336	2.6
202.07278	2.5
202.12372	2.2
203.05899	0.7
207.83673	0.5
209.11894	1.5
212.10773	1.1
214.07510	1.5
215.08292	1.9
225.11221	0.9
227.03712	0.5
227.12988	0.8
228.10240	2.8
229.09814	12.4
230.12021	8.0
231.11488	0.5
240.09059	0.9
243.11368	0.6
244.08356	0.9
245.09326	5.7
245.13705	1.6
255.11378	3.7
257.09314	6.8
258.10037	1.6
259.10794	0.9
267.65698	0.5
273.12460	20.7
274.13000	0.5
275.10431	1.3
307.06201	0.6
317.07675	0.9
317.11401	16.1
318.11606	0.5
325.11755	0.6
334.11713	0.6
335.12476	100.0
336.12860	3.0
341.11490	0.5
343.13034	1.5
374.07892	0.5
408.64496	0.5
464.14719	0.5
550.43341	0.5
679.26025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84836	0.6
55.01855	0.6
57.03432	1.0
59.01379	0.8
61.98790	1.0
62.12355	0.6
69.47012	2.4
71.01398	0.7
71.04983	0.8
72.67876	0.7
84.02173	1.4
85.02923	1.8
95.05013	0.9
99.08174	3.1
113.05988	0.6
115.29890	0.6
125.09684	1.4
127.11262	1.7
139.11314	3.5
141.09204	0.5
153.12860	1.2
162.10487	1.1
163.11217	1.7
165.08983	1.6
165.12828	18.8
166.13136	0.7
167.10625	0.9
167.14394	0.7
171.10272	6.5
181.12355	1.0
183.13904	3.4
191.06989	1.4
193.08459	12.8
193.12158	3.0
194.08891	0.6
199.13426	0.9
201.08990	1.0
203.10472	1.8
205.12109	6.2
207.10048	1.4
209.03044	0.7
209.07849	0.8
209.11870	1.8
211.13391	22.3
212.13803	0.8
215.10431	1.3
219.09995	1.4
221.11620	10.4
229.14423	12.2
231.09991	8.4
232.10576	0.8
233.11580	86.2
234.11905	4.5
249.11131	13.7
251.12840	21.2
252.13034	0.8
311.22241	1.1
326.69443	0.6
329.23303	87.1
330.23642	7.3
351.21497	100.0
352.21945	5.7
395.20441	0.7
440.50861	0.7
527.12439	0.6
681.45221	16.0
682.45782	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04346	0.7
57.03437	2.5
58.57913	0.6
59.01380	84.8
60.23639	0.6
70.88313	0.7
71.01380	2.2
71.05017	2.2
73.02901	0.7
75.00872	1.4
83.05007	1.6
84.63493	0.7
85.02959	2.4
87.00868	1.6
96.96004	2.5
97.63899	0.7
101.02461	2.0
105.79043	0.8
111.00893	0.7
113.02431	1.1
116.92909	0.8
134.03751	5.1
135.04527	1.1
135.52783	0.8
149.06142	1.6
161.13333	2.6
163.11230	1.6
178.02727	2.9
187.11243	1.1
191.05670	1.0
193.05048	7.0
207.10274	3.2
209.11798	1.1
210.12120	0.9
221.90541	0.8
223.13397	100.0
224.13745	1.7
267.12375	45.6
268.12839	1.5
315.92715	0.7
339.12268	1.2
579.33441	0.9
683.25568	2.2
683.38171	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64685	0.4
55.01865	1.6
57.03437	1.6
59.01381	23.0
69.03429	1.1
71.01384	23.7
72.99290	1.3
73.02943	11.7
75.00870	0.8
82.30915	0.4
83.01383	4.8
85.02951	15.4
86.00085	1.0
87.00886	2.0
89.02428	3.2
95.01380	1.8
96.96008	5.4
97.02933	1.1
97.06611	0.6
98.95612	0.6
99.00870	3.5
101.02446	17.4
103.04005	1.9
103.70229	0.4
109.02929	0.5
111.00891	0.5
113.02451	9.2
115.03989	1.0
119.03480	0.4
125.02412	0.7
131.03468	1.0
143.03503	1.6
145.05093	0.4
147.06654	0.4
159.02986	1.3
161.04568	2.4
163.06108	0.8
168.02795	0.4
170.75659	0.4
179.05667	0.4
191.05585	0.5
196.87585	0.4
221.15303	0.7
235.16942	0.9
267.31345	0.5
269.19061	1.2
271.20648	2.8
287.09558	1.3
287.20081	0.9
289.21704	3.5
333.20700	11.4
340.01651	0.5
389.38980	0.5
429.50742	0.4
477.25000	1.2
495.26001	19.2
496.26321	2.0
558.45483	0.4
610.82080	0.5
641.31763	100.0
642.32062	12.9
684.25677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03436	3.0
59.01379	41.9
63.48655	0.9
66.75894	0.9
69.03458	2.1
71.01378	43.0
72.99301	1.7
73.02947	12.3
75.00890	1.1
80.00095	0.8
81.03452	1.0
82.37939	0.9
83.00941	1.0
83.01360	5.6
84.18308	0.8
85.02952	21.7
87.00874	4.3
89.02445	16.8
89.43540	0.9
95.01379	4.1
97.02931	4.7
98.69923	1.0
99.00878	5.9
101.02437	24.8
103.40170	1.0
111.00876	1.8
113.02444	19.0
116.92856	2.1
119.03493	2.5
123.42387	0.9
124.01654	1.6
125.02432	5.9
131.03473	3.2
143.03473	3.7
143.10722	2.4
149.04665	1.7
159.03029	2.4
161.04570	7.3
163.56708	0.9
173.04604	2.0
191.05495	1.3
217.17107	0.9
233.06636	0.9
287.14981	2.1
305.15988	7.1
330.14410	0.9
361.16367	1.7
437.20178	2.2
449.20325	22.6
450.20908	1.1
467.21292	7.7
523.14709	1.3
539.30365	1.0
547.86804	1.1
581.24469	100.0
582.24823	7.8
599.25543	36.0
600.25940	1.8
641.26263	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42973	0.1
59.01369	0.5
69.24555	0.1
69.81573	0.4
71.01381	0.7
73.02940	0.2
84.14883	0.1
85.02943	0.4
87.00867	0.1
93.03455	0.7
96.72584	0.1
101.02452	0.4
108.02137	0.2
109.02950	2.4
111.04530	0.2
113.02467	0.3
121.02951	6.8
122.03740	8.8
123.04546	0.9
124.01628	0.3
129.03465	0.3
134.03737	0.4
135.04549	0.9
136.05264	0.7
137.02406	0.5
146.03737	0.3
147.04515	2.9
148.05241	0.2
149.06081	0.6
153.69615	0.1
154.02692	0.3
160.05312	0.2
161.04549	0.6
161.06082	1.0
162.06895	0.3
163.03963	0.2
164.04778	0.3
165.05565	13.3
166.05894	0.2
168.04195	0.2
173.04556	0.2
175.07709	0.2
176.08469	0.1
178.06384	0.5
179.07127	4.5
180.07542	0.2
191.07069	0.2
193.08759	0.2
208.07507	0.1
209.08194	0.5
223.05931	0.2
223.09712	0.6
283.09781	0.2
285.11264	0.3
298.12219	0.5
313.14471	0.7
315.12430	1.3
316.13165	0.3
331.15472	0.3
337.09116	0.1
343.15472	0.3
346.14203	7.2
347.14627	0.4
361.16553	100.0
362.16879	5.4
449.20001	0.2
523.21844	6.1
524.22113	0.4
537.52673	0.1
581.24475	0.4
599.25983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
59.01376	7.9
60.01698	0.5
61.98820	1.7
65.96739	0.4
67.90358	0.3
69.27888	1.0
69.28303	1.4
71.01373	3.0
72.99312	0.4
73.02936	1.6
74.94183	0.4
75.00868	0.6
85.02943	1.9
87.00859	1.5
89.02443	1.8
95.04991	0.4
96.95995	1.2
97.06592	0.8
99.04506	1.1
101.02444	1.5
103.74444	0.5
111.04513	0.6
111.08113	0.6
113.02440	1.9
113.09702	0.5
123.08148	1.6
135.08217	0.6
136.05241	0.7
137.06100	0.5
141.09190	0.7
143.03458	0.6
147.06601	0.7
149.06056	2.2
150.06860	35.1
151.07343	1.3
155.10843	0.5
156.34735	0.4
157.08690	0.7
159.89456	0.5
161.02341	0.4
161.04626	0.6
161.09717	0.6
162.06844	1.0
163.07626	7.2
164.08412	6.4
176.08360	0.7
177.09143	0.9
178.09972	1.3
179.10764	19.6
180.11122	0.5
187.09612	0.7
201.11340	0.6
229.10832	1.2
256.10358	0.5
262.10202	0.4
268.54498	0.4
292.20581	0.7
302.18848	0.8
310.92828	0.4
320.19812	2.1
335.22379	1.2
340.09396	0.6
341.23245	1.4
343.21259	4.6
344.21500	0.5
351.21927	0.5
353.23727	0.5
355.11847	1.1
364.22458	1.8
441.29846	1.4
447.30994	0.5
459.30994	1.5
460.30862	0.5
462.29956	2.0
477.32129	5.7
478.32236	0.9
504.31039	1.7
505.31329	2.3
506.32535	0.5
522.31885	3.5
523.32733	27.2
524.33179	3.6
643.33350	0.5
649.21149	1.2
685.37988	100.0
686.38379	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
59.01376	7.9
60.01698	0.5
61.98820	1.7
65.96739	0.4
67.90358	0.3
69.27888	1.0
69.28303	1.4
71.01373	3.0
72.99312	0.4
73.02936	1.6
74.94183	0.4
75.00868	0.6
85.02943	1.9
87.00859	1.5
89.02443	1.8
95.04991	0.4
96.95995	1.2
97.06592	0.8
99.04506	1.1
101.02444	1.5
103.74444	0.5
111.04513	0.6
111.08113	0.6
113.02440	1.9
113.09702	0.5
123.08148	1.6
135.08217	0.6
136.05241	0.7
137.06100	0.5
141.09190	0.7
143.03458	0.6
147.06601	0.7
149.06056	2.2
150.06860	35.1
151.07343	1.3
155.10843	0.5
156.34735	0.4
157.08690	0.7
159.89456	0.5
161.02341	0.4
161.04626	0.6
161.09717	0.6
162.06844	1.0
163.07626	7.2
164.08412	6.4
176.08360	0.7
177.09143	0.9
178.09972	1.3
179.10764	19.6
180.11122	0.5
187.09612	0.7
201.11340	0.6
229.10832	1.2
256.10358	0.5
262.10202	0.4
268.54498	0.4
292.20581	0.7
302.18848	0.8
310.92828	0.4
320.19812	2.1
335.22379	1.2
340.09396	0.6
341.23245	1.4
343.21259	4.6
344.21500	0.5
351.21927	0.5
353.23727	0.5
355.11847	1.1
364.22458	1.8
441.29846	1.4
447.30994	0.5
459.30994	1.5
460.30862	0.5
462.29956	2.0
477.32129	5.7
478.32236	0.9
504.31039	1.7
505.31329	2.3
506.32535	0.5
522.31885	3.5
523.32733	27.2
524.33179	3.6
643.33350	0.5
649.21149	1.2
685.37988	100.0
686.38379	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13531	1.0
59.01374	6.3
61.98830	52.2
66.73766	1.2
69.11061	1.2
69.12321	5.7
69.75404	0.9
71.01373	1.4
73.85603	1.1
74.79321	1.0
75.64187	0.9
106.85156	1.0
107.01403	1.7
113.06924	0.9
113.35231	1.0
115.87027	0.9
119.21619	0.9
127.05128	1.0
145.02832	1.1
151.00386	2.9
199.03981	2.1
201.11305	3.2
209.11839	5.3
210.12196	1.9
215.03458	1.4
227.03542	3.1
227.12845	2.0
242.02220	2.4
243.02956	14.5
245.13916	2.6
255.02986	7.2
255.44145	0.9
257.04547	2.7
270.01627	1.1
271.02451	22.6
272.03119	2.3
285.04016	7.0
286.04694	1.9
299.01981	33.2
300.02628	12.7
314.04306	48.5
315.05072	31.5
357.06146	1.1
447.09125	1.1
452.10721	1.1
534.20117	1.8
623.16156	100.0
624.16461	11.1
634.63123	1.5
686.27625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36954	0.3
59.01381	0.4
61.98835	2.6
68.08289	0.3
71.46504	0.3
77.97397	0.3
99.76144	0.3
101.02467	0.3
133.06522	0.3
141.04927	0.3
152.48334	0.3
230.53181	0.4
232.05368	0.5
234.06827	0.5
244.65300	0.4
246.06924	0.5
247.03955	2.4
247.07680	0.6
248.04587	0.5
248.08337	1.6
249.05400	0.4
249.09187	1.8
251.87332	0.3
255.26991	0.3
258.03226	0.5
260.04745	1.6
261.05502	2.9
262.06244	1.6
263.07089	0.7
273.05591	2.7
274.06384	0.8
275.03534	5.2
275.06989	1.0
276.04221	2.9
276.07782	0.9
277.05060	1.8
277.08685	1.2
288.04276	0.5
289.05087	9.2
290.05807	11.4
291.06558	4.4
292.07367	1.8
293.08200	0.6
303.06833	0.4
304.03778	9.4
304.07440	4.4
305.04517	5.8
305.08167	3.0
306.05270	0.6
306.08762	0.5
308.06931	0.6
319.06104	21.9
320.06699	4.1
334.08392	3.4
335.09140	0.9
336.06433	0.6
340.04346	0.4
364.05884	5.3
366.07504	3.3
379.08221	100.0
380.08575	8.0
501.60233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98821	3.4
62.92612	0.6
79.56924	0.5
80.71915	0.6
96.73722	0.6
98.21854	1.0
122.98264	0.6
219.04494	0.8
233.06236	0.6
247.03993	2.2
248.08417	1.6
249.09198	1.5
258.03134	0.9
260.04779	2.0
261.05493	2.9
262.06268	1.4
273.05566	3.3
275.03525	4.9
275.06909	1.1
276.04211	2.4
276.07755	1.2
277.05124	1.5
277.08481	1.5
288.04492	0.7
289.05048	10.1
290.05792	10.5
291.06534	3.5
292.07471	1.3
304.03757	9.2
304.07391	5.4
305.04456	4.9
305.08182	3.4
306.08929	0.9
319.06088	23.1
320.06805	3.4
334.08371	3.0
335.09113	0.6
364.05844	6.1
366.07468	4.7
379.08200	100.0
380.08490	8.2
508.11154	0.6
697.43994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10927	5.7
59.01383	20.4
61.49356	5.4
61.98836	13.2
70.97346	6.0
71.01382	13.4
85.14045	5.2
85.40620	6.5
89.02454	17.6
94.54345	5.0
101.02477	15.9
125.56789	5.6
253.21768	43.9
397.13568	100.0
415.14517	29.7
651.35846	12.6
687.33618	71.0
688.34314	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75353	0.8
57.03434	2.1
59.01379	9.8
71.01365	3.0
73.02934	1.0
79.77128	0.7
83.01380	0.7
83.04974	1.0
85.02938	1.3
87.00880	1.7
89.02434	1.8
90.51999	0.6
93.03442	0.9
95.05044	0.9
96.96020	5.0
97.06590	3.2
99.04503	1.6
101.02433	1.4
103.00407	0.8
103.01515	3.3
109.02940	0.9
109.06584	7.6
111.04513	2.8
111.08146	1.5
113.02438	1.3
116.92795	0.7
120.01257	3.9
121.06587	1.0
122.03761	0.9
123.08176	8.6
125.09710	1.9
135.04524	1.1
135.08167	8.3
136.05309	18.4
137.06081	1.4
138.06866	4.3
141.09253	4.8
148.05310	1.1
149.04553	0.8
149.06073	4.7
150.06842	1.7
153.01968	1.2
153.09219	16.6
153.10442	1.1
163.07631	1.3
164.04744	0.9
164.08414	1.2
165.07907	1.4
165.09201	17.7
184.88275	0.8
187.09773	23.4
188.10107	0.8
207.10243	1.4
217.10800	37.0
218.11230	1.3
222.50696	0.7
261.83752	0.7
306.18448	0.8
307.19159	2.9
337.20166	8.9
341.19705	2.6
342.19910	0.8
425.26883	2.7
439.19986	0.9
443.28287	0.9
489.28525	1.3
507.22318	1.3
507.29599	14.1
508.30292	1.2
525.30530	2.1
526.83899	0.8
669.35059	7.1
687.35968	100.0
688.36127	10.7
718.48743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.3
59.01386	3.3
61.98812	1.2
69.03449	0.7
71.01373	1.1
73.02952	0.7
83.04966	0.7
85.02946	1.5
87.00849	1.6
87.04509	2.5
89.02425	0.9
95.04999	0.6
96.95979	1.3
97.06577	1.6
97.11054	0.5
99.04494	1.4
109.06596	5.1
111.04522	1.3
111.08150	1.0
113.02431	0.7
113.06059	0.8
116.92867	0.5
121.06570	0.8
122.03733	0.7
123.08176	4.8
125.09731	0.8
127.07656	1.1
135.04503	0.6
135.08131	3.8
136.05302	22.8
137.06020	0.9
137.09753	0.5
138.06886	2.2
141.09201	1.5
147.08160	0.5
148.05316	0.8
149.06076	4.2
150.06836	2.2
153.08232	0.6
153.09235	7.4
155.07094	0.7
163.07626	2.0
164.08405	1.6
165.09215	18.6
166.09512	0.5
173.08194	17.7
174.08487	0.6
187.09772	10.1
203.09174	2.2
207.10191	0.6
217.10811	17.6
218.11166	0.9
231.12474	0.5
239.62581	0.5
245.10031	0.8
269.05508	0.5
306.18207	0.9
307.19125	1.7
321.20679	1.1
329.19513	0.9
336.19391	0.8
337.20264	2.6
341.19382	0.8
350.20938	1.5
351.21817	6.5
413.26770	0.6
425.27243	2.4
443.28107	1.1
495.29608	3.4
506.28955	1.1
507.29803	6.7
508.30020	0.7
524.30103	0.8
525.30627	4.5
669.34613	3.0
687.35956	100.0
688.36316	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
56.56854	0.6
57.03428	1.7
59.01385	4.1
60.26226	0.6
61.98835	1.0
64.67526	0.5
66.09157	0.6
69.35799	3.1
69.36165	1.0
70.39858	0.6
70.94216	0.7
71.01382	3.3
73.02945	1.3
83.05009	1.6
85.02943	2.5
87.00878	1.1
89.01930	1.1
89.02448	15.7
89.03004	0.9
93.03467	1.3
93.54770	0.6
96.96027	4.4
97.06566	3.8
99.00910	0.7
99.04509	1.1
99.39295	0.6
101.02465	1.3
107.04988	0.6
109.06593	9.5
111.04511	1.5
113.02431	1.2
120.01263	0.7
121.06639	0.7
123.08173	9.1
125.09716	0.8
135.08163	9.0
136.05298	13.8
137.05989	0.9
138.06895	5.2
140.92412	0.6
141.09219	4.3
147.08211	0.7
148.05234	0.9
149.06068	2.3
150.06857	1.7
153.09213	20.0
161.04539	0.6
162.06796	1.0
163.07643	1.1
164.08453	1.3
165.09187	12.8
187.09755	21.0
207.10294	1.3
217.10803	54.6
218.11093	2.3
231.12349	0.8
257.83029	0.6
287.76794	0.6
307.19064	3.3
336.19437	1.0
337.20242	7.8
417.26556	2.2
425.26993	1.5
507.29669	5.2
525.30438	2.1
526.67834	0.7
641.31616	5.1
642.32343	0.6
644.37573	0.9
669.34753	4.7
670.35266	1.0
687.35980	100.0
688.36346	12.6
712.91351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.21507	1.0
61.26199	0.9
61.87401	0.9
61.98828	1.3
69.22836	4.6
72.81875	1.0
73.04055	1.8
81.83953	0.9
95.02555	1.0
98.22611	2.0
115.08746	2.2
129.10327	4.3
130.06204	2.3
140.07166	1.7
151.08752	1.5
155.08238	1.7
156.81223	1.0
168.11429	1.5
169.09766	1.3
182.13005	1.0
183.14943	2.1
186.12521	4.0
193.13428	3.3
207.14928	2.2
210.16124	1.8
211.14488	1.2
225.16093	1.5
228.17116	4.1
242.18762	3.0
323.24545	1.8
338.21826	2.0
341.25848	1.2
342.21451	1.4
356.22992	4.0
381.25009	1.1
398.27628	3.6
410.27573	1.4
412.25772	1.2
454.34009	1.9
551.35388	6.1
607.38220	100.0
608.38226	10.4
651.40979	3.3
658.36328	1.1
687.40302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	0.9
54.69995	1.0
59.01378	4.7
59.53123	1.0
61.98825	9.5
69.77097	1.4
71.01366	3.1
71.41737	1.6
84.17440	1.0
85.02943	1.6
87.05641	2.1
89.02438	1.6
101.02441	1.3
113.02454	1.4
121.20548	1.2
121.21460	1.1
129.10350	3.8
139.08775	2.9
140.07159	2.5
160.33804	1.1
165.10312	3.7
169.13261	1.0
170.09320	2.3
180.07797	5.0
182.12984	3.0
183.11368	1.7
186.12466	1.6
191.05597	1.6
195.25296	1.2
200.14064	4.2
207.14900	2.4
215.11411	2.0
232.18346	1.2
236.14053	2.0
242.18794	4.8
251.00801	1.3
253.16820	1.5
269.62448	1.1
271.17746	2.7
309.89536	1.3
370.24496	2.9
379.08154	1.5
399.23477	1.7
408.48495	1.4
426.30826	1.4
441.28201	4.4
608.37726	100.0
609.37994	10.7
644.36450	3.2
652.40509	1.7
688.37781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94325	0.5
59.01385	2.3
62.36194	0.5
69.03434	0.5
69.79394	1.7
78.03880	0.5
79.38153	0.5
80.69075	0.5
92.01800	0.5
94.02991	2.4
98.02463	0.7
98.21941	0.9
103.93182	0.5
108.04563	2.3
114.92188	0.6
120.04585	1.1
122.06123	10.5
124.04041	1.5
134.06145	2.3
136.04068	4.0
136.07690	11.1
138.05600	2.7
144.06380	0.5
148.04088	0.8
150.05609	11.4
152.07195	2.8
152.54967	0.5
174.09218	0.7
176.03540	0.8
184.78830	0.5
186.09254	3.0
190.05132	0.8
192.17551	0.5
201.06604	3.0
202.07445	1.9
202.08955	1.2
202.12378	2.9
212.10809	0.9
214.07318	1.0
215.08270	2.2
228.10316	3.9
229.09818	16.6
230.12038	9.1
231.11586	0.7
239.08234	0.8
240.09053	0.8
243.11366	0.6
244.08437	0.8
245.09302	5.9
245.13013	0.9
255.11304	3.3
257.09344	7.2
258.10007	1.9
273.12451	21.2
274.13025	1.2
275.10410	1.7
299.10022	0.5
317.11423	16.8
318.11761	1.2
334.11713	1.1
335.12491	100.0
336.12814	6.9
355.12939	1.8
619.25012	0.5
691.26733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66094	1.3
59.01080	2.7
59.01381	49.9
61.98824	3.9
69.03461	2.4
69.55103	2.7
69.55500	4.2
71.01382	29.6
73.02944	3.9
79.41927	1.3
79.68987	1.5
81.03500	1.8
83.01397	2.8
83.40056	1.5
84.80029	1.7
85.02948	8.6
87.00883	4.9
89.02446	23.6
95.01446	1.6
97.02958	4.9
99.00887	1.8
101.02430	19.7
113.02454	9.6
118.24745	1.7
119.03480	7.0
125.02442	7.7
127.83715	1.3
131.03490	1.4
143.03494	2.4
153.01363	1.3
161.04559	6.5
171.10207	3.7
173.04460	1.9
175.94127	1.5
179.05603	5.0
191.02040	2.0
191.05608	2.0
193.22823	1.4
211.13385	2.5
220.35367	1.4
221.06685	1.9
231.21141	2.7
235.08211	8.3
235.17015	35.6
236.17381	3.4
253.09387	1.5
275.20160	48.4
276.20596	2.0
287.07614	2.1
293.21216	100.0
294.21552	7.3
305.08716	3.6
397.13492	71.6
398.13782	3.9
415.14542	42.5
416.15280	2.1
502.91739	1.3
523.52515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
58.00584	0.5
59.01376	18.5
65.99640	0.3
69.03469	0.8
71.01382	12.3
73.02941	2.0
75.00881	0.4
81.03462	0.5
83.01366	1.0
85.02959	3.2
85.98492	0.4
86.44643	0.3
87.00874	3.0
89.02441	12.2
95.01387	0.6
97.02953	1.5
99.00883	0.7
101.02451	9.8
111.00879	0.5
111.08199	0.5
113.02448	5.1
119.03503	3.4
125.02424	2.7
131.03525	0.4
143.03493	2.0
161.04567	1.9
170.08746	0.4
175.35652	0.4
179.05612	2.4
179.14441	0.9
195.13882	7.0
195.15648	0.3
196.14674	1.0
205.12413	0.5
211.13458	0.7
219.38040	0.4
221.06573	0.6
223.13354	5.3
224.14009	0.4
228.13739	0.4
233.26932	0.4
235.08218	3.2
253.09250	0.8
256.13263	0.7
263.07733	0.4
275.20157	4.3
287.07706	0.6
293.21210	100.0
294.21533	5.3
305.08649	1.0
323.09857	0.5
397.13474	24.5
398.13794	1.1
415.14548	27.2
416.14954	1.3
654.27209	0.5
691.36493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.0
61.98845	1.4
74.90857	1.8
85.02956	12.0
91.34734	1.4
98.21883	4.2
108.02156	4.5
108.62817	1.5
111.00863	1.9
118.50909	1.6
141.62468	1.4
144.24480	1.4
147.02989	1.6
158.57397	1.4
189.07112	4.1
191.01939	5.4
191.05537	2.6
203.08679	1.8
204.05779	1.8
205.06612	2.3
207.08113	1.9
209.02983	4.7
217.06555	4.0
221.06155	2.4
225.09329	1.5
231.08104	2.6
232.05309	7.5
233.05978	4.9
234.06819	5.6
235.07582	5.9
236.04790	3.8
237.05675	1.5
245.06175	2.9
246.06831	3.0
247.07620	6.2
248.08363	3.1
249.05583	3.3
249.09113	3.3
251.07085	2.1
261.05533	5.7
262.06366	4.9
263.07089	5.1
264.04108	9.0
264.08163	1.6
275.07043	12.5
276.07883	3.6
277.05005	5.1
277.08655	2.0
278.05804	8.2
279.06610	21.0
289.05029	2.8
292.03854	4.1
292.07449	1.4
293.08191	9.8
294.08923	19.0
294.26389	1.6
304.07031	2.0
305.04648	2.7
305.07953	3.3
306.05249	4.8
307.06116	10.9
308.10522	29.6
309.07837	2.1
309.11270	20.7
319.06073	2.0
320.06924	4.6
321.07544	9.9
322.08267	4.2
332.06787	2.2
335.05478	3.9
335.09164	26.1
336.09955	5.5
337.10803	74.0
338.11060	4.1
339.08087	1.7
365.10275	85.5
366.10614	4.8
367.08206	3.3
379.08408	2.1
405.97113	1.6
409.09265	100.0
410.09528	7.5
555.11212	1.9
699.50702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
61.98818	0.7
63.23246	0.5
70.61745	0.7
71.01368	2.7
71.29015	0.5
73.02953	0.7
82.95429	1.9
85.02969	1.7
87.00895	1.8
89.02472	2.0
89.18426	0.5
91.01898	2.0
91.55364	0.5
93.03473	1.3
94.02997	4.0
96.04553	0.6
96.95984	2.5
99.00896	0.5
101.02456	1.9
102.01545	0.5
108.04562	1.1
111.00880	7.0
111.04520	0.6
113.02454	1.5
116.92850	0.9
117.03458	10.2
119.01380	5.0
119.05027	17.1
121.03000	0.8
122.06149	3.7
124.07684	1.1
132.04532	0.8
133.06606	1.2
134.03717	0.6
134.06123	1.1
136.07678	7.4
138.05591	1.8
139.05952	0.5
145.02953	44.3
146.03282	1.0
147.00833	3.2
147.06613	0.6
149.02422	2.3
150.05602	1.1
151.04094	0.7
152.07149	7.3
154.99817	1.2
156.06633	0.7
158.02438	1.7
161.02469	0.8
161.04790	0.7
161.06030	3.0
162.03250	0.7
163.04005	21.0
164.04689	1.7
165.01852	1.3
168.06622	0.9
173.00902	2.2
173.04584	1.2
175.00354	36.9
176.00787	1.5
177.05608	1.3
186.09299	0.6
189.01970	1.3
190.02710	75.3
190.05040	4.2
191.03218	3.8
193.04970	0.7
205.05046	100.0
206.05334	3.2
208.03690	0.9
215.44545	0.5
217.09831	0.9
223.06194	2.5
227.55032	0.6
229.09807	0.8
230.10066	0.7
235.06059	1.5
257.09247	0.6
259.10501	0.6
265.07172	4.3
273.12512	0.8
274.12619	0.8
277.07245	0.9
277.11993	1.3
295.10846	1.2
307.08295	1.1
317.11426	0.7
318.11514	1.0
319.12531	0.6
325.09109	1.5
335.12457	3.1
336.12799	5.4
337.13013	2.1
349.13705	0.9
355.12985	9.3
356.13351	0.9
367.10373	3.5
383.93317	0.8
415.10248	0.8
416.30453	0.5
431.03094	0.6
469.13541	6.4
487.14548	35.9
488.14630	2.1
524.19952	1.1
529.15460	1.0
547.16345	1.5
601.22491	2.3
633.25671	3.5
643.23285	0.6
661.24518	2.2
693.19812	20.1
694.20233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28564	1.0
59.01380	38.4
61.98831	5.6
69.03452	1.1
69.88306	0.8
69.93362	0.9
71.01382	24.2
72.99300	1.4
73.02942	4.7
78.95898	10.8
83.01376	2.9
85.02950	2.8
87.00881	4.8
89.02441	21.6
93.70341	0.9
95.01375	1.4
97.02954	3.4
98.21773	1.9
101.02441	17.6
110.14822	1.0
113.02440	9.7
116.92905	1.9
117.77998	0.9
119.03514	6.0
125.02477	8.1
141.43430	0.9
143.03506	2.9
152.99602	3.4
161.04541	3.5
179.05663	3.7
180.89874	1.1
189.29469	1.0
196.89510	1.1
221.06670	1.5
235.08257	9.9
253.09367	2.0
253.21725	76.6
254.22054	4.3
277.21735	1.8
287.07645	3.2
295.53680	1.0
305.08661	4.0
348.77682	1.1
397.13495	100.0
398.13940	6.8
415.14569	30.3
416.15237	1.6
423.37100	1.1
488.38879	1.3
593.26892	5.4
642.52771	1.1
651.35895	5.7
652.36322	1.4
694.19739	2.7
708.15924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01379	39.6
61.19911	0.7
61.98600	0.5
61.98833	5.3
69.03447	0.9
71.01379	23.1
71.83485	0.6
73.02939	4.8
75.00883	0.6
78.95897	1.4
81.03459	0.7
83.01369	2.6
83.28568	0.6
85.02940	4.9
87.00886	5.1
89.02444	23.0
92.83681	0.6
93.03458	0.7
95.01395	1.6
97.02932	4.9
98.22684	1.3
99.00861	1.4
101.02439	20.3
105.01937	0.6
113.02447	9.2
115.03983	0.6
119.03510	6.2
125.02438	8.1
131.03453	0.8
133.05078	0.7
143.03522	2.9
146.53920	0.6
149.02451	0.6
161.04614	4.6
179.05620	3.6
185.04642	1.0
221.06644	1.5
226.18245	0.7
235.08231	8.5
253.09319	1.4
255.23294	71.0
256.23679	4.8
263.07690	1.2
287.07748	3.2
305.08691	3.4
323.09857	1.4
397.13486	100.0
398.13834	4.6
415.14542	28.8
416.15234	1.0
595.29871	0.8
653.37701	5.7
654.38104	0.8
696.21661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31391	0.1
59.01381	3.6
61.98827	1.1
69.95573	0.3
71.01384	1.3
73.02948	2.2
73.63952	0.1
75.00896	0.1
81.10054	0.1
83.01394	0.4
85.02950	0.8
87.00858	1.3
89.02444	0.8
93.03473	0.4
98.21852	0.2
99.00899	0.2
101.02439	2.8
102.43608	0.1
113.02465	0.7
119.03514	0.2
131.03531	0.5
134.03682	0.1
136.05310	2.1
143.03445	0.2
147.03018	0.2
149.04485	0.2
149.06146	0.3
150.06851	0.2
158.03743	0.2
161.04619	0.2
164.08423	0.2
165.09216	1.1
191.05659	0.3
193.06601	0.3
205.06616	0.2
207.08228	0.2
208.05150	0.2
217.06726	0.2
220.05339	0.4
221.06111	0.6
221.08116	0.2
222.23558	0.1
231.04611	0.2
232.05251	0.4
233.06091	1.8
234.06807	0.5
235.04111	0.1
235.07637	0.9
237.05583	0.3
245.06158	0.5
247.04079	0.5
247.99980	0.1
248.04727	0.9
249.05594	0.6
250.06453	0.5
251.07071	0.8
256.84360	0.2
259.04037	0.2
260.04797	0.5
261.05548	6.1
261.08276	0.3
262.06296	4.1
263.07120	2.2
264.04343	0.2
273.05624	0.4
275.03787	0.3
275.07123	0.2
276.04294	0.4
277.05063	1.1
278.05881	0.6
279.06595	2.0
281.08038	0.2
287.03561	0.4
288.04230	0.4
289.01868	0.2
289.05063	4.1
289.08243	0.3
290.05862	1.6
291.06625	1.0
293.04684	0.2
303.06641	0.4
304.03763	0.3
305.04575	2.4
306.05280	2.6
307.02560	0.3
307.06100	4.6
308.06555	0.3
312.64658	0.1
317.04572	0.5
318.05350	0.2
319.05997	0.2
329.23581	0.2
331.06183	0.3
333.04007	2.1
334.04828	6.4
335.05588	12.3
336.05768	0.9
361.03647	0.2
362.04382	0.9
363.05093	100.0
364.05414	6.3
376.05991	0.6
377.06680	1.1
394.03256	0.2
405.05997	0.2
447.07101	0.4
449.32773	0.8
477.32025	0.2
494.32233	0.2
495.33167	1.1
509.10941	0.3
537.10406	2.9
538.11102	0.3
636.30872	0.2
699.27966	0.2
699.39587	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18503	1.0
58.12910	1.0
59.01379	23.3
63.07730	0.9
69.03447	1.0
69.28006	3.0
69.28412	2.3
71.01380	7.6
73.02954	11.0
83.01382	2.9
85.02940	2.5
89.02438	3.6
93.03472	1.6
93.86212	1.0
96.96010	35.3
97.02923	1.3
97.19941	1.0
101.02441	8.6
108.02148	1.8
109.02977	2.1
113.02427	3.6
119.03513	1.9
121.02927	5.2
122.03751	1.4
123.04568	1.5
131.03447	1.5
131.04617	3.6
134.03758	1.1
135.04485	2.6
137.02493	1.2
143.03450	1.5
147.04539	7.3
148.05322	1.3
149.02429	1.4
149.04570	2.7
150.03172	2.7
158.03722	5.0
159.04527	10.1
160.05305	21.2
161.04562	2.7
161.06041	9.4
163.04027	2.7
164.04796	3.2
173.06076	6.1
174.06944	2.5
175.03966	1.5
175.07637	14.1
176.04813	1.2
177.05586	7.1
178.06329	8.8
189.12842	2.8
192.07867	7.7
221.06419	1.2
223.07716	1.1
226.06410	1.2
233.06549	1.5
238.06345	3.9
239.07007	3.0
241.08719	1.5
249.05608	1.4
253.05002	2.9
253.08675	1.2
254.05852	6.5
255.06635	5.2
255.10416	1.3
265.08594	4.0
266.05783	10.2
266.08459	1.5
267.06598	18.3
268.07141	2.4
269.08182	19.8
270.08856	5.1
280.11987	1.2
281.08194	22.2
282.08914	11.0
283.09747	3.9
284.10532	6.1
285.11069	1.2
287.09543	8.5
295.09607	1.3
296.07129	1.8
296.10538	3.1
302.07990	2.4
309.11157	1.5
311.67212	1.2
311.71149	1.0
314.07956	2.6
316.09497	3.9
328.09451	2.3
371.15121	2.4
429.13705	2.2
432.15768	3.1
444.15671	10.1
447.18390	8.4
459.18347	10.6
460.44135	1.1
462.16754	2.1
474.17181	5.7
477.19205	78.6
478.19559	9.0
489.19177	100.0
490.19525	12.5
499.41196	1.2
507.20273	60.9
508.20511	9.2
519.20239	49.7
520.20435	6.3
537.21484	10.4
538.20978	1.4
681.27307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23663	1.0
59.01373	14.4
59.75909	0.9
61.98821	2.0
69.03454	1.9
69.07580	6.4
71.01379	3.4
73.02949	5.9
83.01364	1.7
84.90482	1.0
85.02952	2.3
89.02454	1.5
91.07717	0.9
93.03482	1.1
96.95993	4.8
101.02475	5.3
109.02888	1.4
113.02442	3.4
116.92862	1.4
119.03507	1.5
121.02939	5.4
122.03750	1.4
135.04491	2.5
145.02975	2.7
146.03700	1.1
147.04620	1.7
149.45094	1.0
158.82587	0.9
159.04494	1.8
161.04547	2.9
161.05940	1.1
165.05637	0.9
171.04443	1.1
173.06035	1.3
178.99785	1.0
203.07071	2.0
220.07588	1.8
225.11354	1.9
243.12370	9.2
267.06647	2.1
269.04510	1.2
275.07172	1.8
276.07883	1.3
277.08786	1.5
279.06396	0.9
280.07367	1.2
281.08258	2.5
289.08334	1.2
289.11215	1.3
292.07458	2.1
293.08209	13.0
294.08838	3.8
295.09650	2.1
296.10461	3.5
298.08310	1.7
303.10376	1.3
305.08243	8.2
305.11633	1.9
306.08859	8.7
307.09641	4.7
308.10574	12.1
309.11307	15.2
310.08444	1.2
310.12012	2.0
311.09335	1.3
319.09662	1.6
320.10635	9.9
321.11279	13.1
322.08240	2.7
322.12015	4.0
323.09137	3.8
323.12869	10.1
325.10776	1.2
326.11615	9.8
335.12845	4.4
337.10812	4.0
337.14606	1.5
338.11572	10.4
340.13138	5.7
352.12994	2.3
371.14886	1.4
432.15659	2.1
444.15918	5.3
447.18030	3.7
459.18753	1.1
462.16599	2.0
474.16962	10.0
477.19171	59.7
478.19455	6.8
489.19418	14.7
490.19098	1.2
504.17908	1.8
507.20203	38.3
508.20023	5.2
519.20197	100.0
520.20636	12.7
537.21234	10.1
619.21918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98841	4.4
71.36512	0.8
71.44712	1.0
78.95895	0.9
93.61726	0.8
97.10400	0.7
102.77425	0.7
135.46083	0.7
161.28081	0.9
183.13045	0.8
225.11339	1.1
357.34546	0.9
481.11771	0.9
495.13297	1.3
496.13980	4.4
497.14236	1.4
510.15338	1.5
511.16193	2.3
512.17053	1.9
544.16229	1.4
571.18256	3.5
598.20630	1.1
602.16992	0.9
633.63129	0.9
640.19995	1.3
657.22168	8.1
660.27307	0.9
700.22601	100.0
701.22839	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91619	0.8
59.01374	2.0
61.98825	4.5
65.39395	0.6
71.01366	0.9
78.95911	1.0
89.02400	1.0
91.32905	0.7
96.96024	1.5
226.33246	0.8
255.23338	2.1
397.13342	1.9
398.13492	1.2
403.38873	0.8
459.16730	1.3
480.13840	1.1
481.11441	1.3
496.13864	5.3
497.14658	3.6
498.14972	1.0
510.15793	1.4
511.15881	3.1
512.16901	2.4
544.15881	2.6
570.17395	2.1
571.18597	4.6
597.20349	1.2
598.20697	3.5
599.21063	1.3
602.16998	0.9
657.21985	9.6
658.21783	2.1
700.22552	100.0
701.22931	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	92.8
61.98832	100.0
70.17530	1.8
71.01377	5.8
73.02943	3.2
83.01393	1.4
85.02950	3.3
87.00871	1.3
89.02444	2.6
93.24076	0.9
99.92590	0.9
101.02445	3.9
113.02424	3.0
115.04293	0.9
116.92903	1.6
136.43623	0.9
143.03502	0.8
161.04561	2.7
175.34834	0.8
178.34238	0.8
179.05522	1.0
217.52107	0.9
285.76364	0.9
311.12952	1.0
323.66064	0.9
325.07361	1.0
344.70560	0.8
389.19678	1.3
533.23999	1.9
551.24963	2.8
593.25757	1.5
700.36853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	58.4
60.99718	2.9
70.57912	3.8
71.01370	33.4
73.02940	9.7
85.02953	6.5
87.00884	14.5
89.01923	5.0
89.02442	61.4
90.23640	2.9
101.02444	40.0
101.82745	3.3
108.90169	7.4
110.89921	8.8
113.02448	18.1
118.14695	2.9
119.03489	9.3
125.02451	4.8
126.08175	3.0
131.03540	4.4
143.03505	12.9
161.04556	8.2
179.05618	31.6
191.05656	3.7
203.05540	4.0
221.06679	13.1
241.14352	3.3
341.10910	19.0
383.11896	52.9
443.13959	16.8
485.15567	4.9
503.15741	5.7
504.60803	3.5
539.13983	8.3
657.71606	3.7
665.21448	100.0
666.21704	13.5
701.19171	59.1
702.19818	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10382	0.7
59.01367	2.2
61.96386	0.8
61.98830	0.9
65.04568	0.8
69.03455	4.6
69.14895	4.0
70.04443	0.7
70.05390	0.6
70.37151	0.8
71.01392	1.6
73.02965	0.8
75.00845	0.8
83.82552	0.8
85.02928	2.1
93.03438	0.7
96.96011	23.7
97.02940	0.7
98.95592	1.0
99.00891	1.8
102.52764	0.7
108.02174	5.0
109.02934	1.4
121.02960	7.8
122.03704	2.6
123.04511	3.0
129.03496	0.9
134.03723	1.6
135.04547	1.9
136.05237	1.1
146.03712	1.1
147.04491	4.6
149.06076	1.4
150.03207	2.0
151.00360	0.8
151.04012	1.2
152.01154	9.3
160.01654	0.9
161.02483	1.2
161.06059	2.1
164.04712	1.0
165.05557	12.1
165.09245	0.9
166.02672	1.3
167.03506	12.6
173.06035	0.9
175.04024	1.1
179.07146	3.2
181.05072	1.8
185.00900	3.9
193.05008	1.0
230.14764	0.8
235.06064	0.9
237.05515	1.6
238.06439	1.6
238.08846	0.6
239.06978	1.0
242.05896	1.0
247.26370	0.7
253.04991	1.0
254.05821	5.3
255.06624	4.0
255.09818	0.7
256.07483	1.0
266.05847	2.5
267.06647	3.7
268.07443	2.1
269.08173	4.1
270.09015	2.4
280.07355	1.7
281.08170	2.1
282.08978	7.3
283.09662	2.0
287.09616	4.0
294.08981	4.0
295.09744	8.5
296.10388	1.4
297.11227	1.4
309.08057	0.8
309.11060	4.1
310.08359	0.8
311.09241	1.0
312.09903	2.0
313.10800	2.8
314.07947	2.2
324.10037	0.9
325.10754	2.2
327.12302	2.5
337.09592	1.8
339.12338	2.6
403.17645	1.3
432.16684	0.8
445.16687	1.5
449.16226	6.4
450.16537	0.9
463.17758	2.3
475.17490	3.4
477.37350	0.7
479.17068	4.6
491.17059	4.6
492.17886	0.9
494.19467	16.5
495.19702	2.4
497.11679	0.8
506.19327	7.6
507.20035	1.3
509.21777	100.0
510.22186	9.6
521.21765	77.8
522.22131	7.4
539.22729	13.6
540.22968	0.9
655.02722	0.8
657.34979	1.8
701.20801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
57.03437	2.8
59.01378	25.1
68.99809	0.6
69.03450	1.4
71.01380	23.6
72.99309	0.8
73.02940	10.7
75.00867	0.7
83.01389	5.7
85.02947	15.6
86.00100	0.9
87.00859	2.8
87.04512	0.8
89.02427	3.0
95.01387	2.5
96.96007	18.7
97.02982	1.2
97.06569	1.0
98.22707	1.4
98.95629	0.7
99.00878	3.1
99.04519	0.8
99.67462	0.6
101.02441	17.9
103.04025	2.0
109.06625	0.6
113.02451	9.4
115.03999	1.7
119.03532	1.0
125.02436	1.1
129.01910	0.7
131.03580	1.2
143.03470	1.8
145.05042	1.1
159.02943	1.6
160.05206	0.8
161.04570	3.0
163.06078	0.9
175.03947	0.6
179.10759	0.7
187.09763	1.6
217.10701	1.1
235.17067	1.1
271.20651	1.9
287.09586	4.9
287.20245	0.7
289.21701	2.6
333.20712	11.0
334.21146	1.0
343.13394	0.6
397.56494	0.7
475.15958	0.7
477.24850	1.2
479.19495	1.3
490.19159	0.8
491.19617	1.8
495.25940	18.5
496.26419	1.4
509.20801	1.7
521.21063	1.1
641.31732	100.0
642.32135	10.0
648.34088	0.8
657.34772	1.0
701.37793	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54009	0.3
55.65675	0.3
59.01370	0.7
68.66725	0.3
93.06487	0.3
98.21883	1.0
153.03366	0.3
169.30367	0.3
219.04485	0.3
232.05380	0.5
245.05978	0.4
247.03995	2.2
247.07657	0.4
248.08417	1.2
249.09213	1.7
258.03290	0.4
260.04816	1.5
261.05444	2.5
262.06277	1.3
273.05582	3.0
274.06271	1.0
275.03503	4.8
275.06790	0.6
276.04236	2.6
276.07895	1.2
277.02380	0.3
277.05011	2.0
277.08658	1.5
288.04196	0.7
289.05054	10.0
290.05817	10.3
290.72833	0.4
291.06519	3.4
292.07321	1.6
304.03754	9.5
304.07416	4.9
305.04456	4.7
305.08118	3.3
306.08862	0.8
308.07001	0.8
319.06085	22.8
320.06708	4.7
334.08463	3.2
335.09161	0.4
336.06305	0.6
338.07751	0.4
364.05844	5.7
365.06131	0.8
366.07373	4.3
379.08203	100.0
380.08542	9.9
516.03625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.56128	0.6
69.56432	2.6
73.99065	0.6
93.30244	0.7
97.19558	0.6
117.24843	0.7
147.95505	0.6
233.24313	0.7
245.06262	0.6
247.04022	1.8
248.08429	1.4
249.05341	0.6
249.09201	1.7
252.23041	0.6
260.04681	0.9
261.05646	2.6
262.06244	1.5
273.05606	2.2
274.06305	1.0
275.03622	5.0
275.06436	1.1
276.04263	2.3
276.07831	0.7
277.05246	1.5
277.08496	1.6
288.04211	0.9
289.05072	10.3
290.05780	10.1
291.06516	4.0
292.07401	1.5
304.03772	9.4
304.07397	5.4
305.04550	4.2
305.08179	2.5
306.08801	0.7
312.40472	0.6
319.06119	22.0
320.06689	3.8
334.08481	2.9
335.09329	1.1
364.05780	5.7
366.07391	4.7
379.08215	100.0
380.08578	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
67.32096	0.2
69.93429	0.6
71.01400	1.4
71.94571	0.2
84.95894	0.2
85.02940	0.3
88.98795	0.5
89.02440	1.6
96.53126	0.2
96.96044	0.2
101.02454	0.9
113.02449	0.6
119.03501	0.7
133.63780	0.2
140.94965	0.2
146.60207	0.2
179.05640	0.5
179.96590	0.2
183.91493	0.2
191.05453	0.2
219.04524	0.5
221.05933	0.2
232.05273	0.5
233.06075	0.4
234.06854	0.5
235.07619	0.2
245.06026	0.6
246.06798	0.3
247.03928	2.3
247.07645	0.5
248.04715	0.5
248.08398	1.8
249.05536	0.8
249.09143	1.6
253.05063	0.3
258.03223	0.9
260.04709	2.4
261.05493	3.5
262.06320	2.3
263.07071	0.7
264.07758	0.2
273.05560	3.2
274.06195	1.2
275.03519	5.8
275.07007	0.8
276.04239	3.4
276.07855	1.0
277.04990	2.2
277.08609	1.1
288.04294	0.6
289.05069	11.3
290.05832	11.2
290.09128	0.4
291.06534	3.9
292.07321	1.3
293.04816	0.3
293.08069	0.4
302.05942	0.5
303.06757	0.3
304.03745	11.8
304.07379	4.9
305.04471	6.1
305.08136	3.0
306.04883	0.5
306.08759	0.7
308.06842	0.8
319.06094	24.9
320.06683	4.3
321.03836	0.4
334.08429	3.0
335.09067	0.8
336.06351	0.8
338.07986	0.4
364.05896	4.9
365.06049	0.4
366.07446	4.2
367.07700	0.4
379.08203	100.0
380.08578	7.9
561.29425	0.3
703.18256	0.9
703.38397	0.2
704.18384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
60.00037	0.2
61.92612	0.1
61.98799	0.2
69.15972	1.0
71.01374	0.4
71.46780	0.1
72.95628	0.1
73.02934	0.2
79.95732	1.3
85.02935	0.2
89.02460	0.2
94.12920	0.2
96.96012	100.0
97.95969	0.4
98.21901	0.3
101.02453	0.3
130.08722	0.7
144.05757	0.2
161.02600	0.2
163.11327	0.2
172.33478	0.2
287.09592	20.3
288.10004	1.3
356.20795	0.6
469.54031	0.2
654.13593	0.2
654.63751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83739	27.6
61.98828	100.0
70.97892	33.2
90.69751	30.1
110.40221	34.8
116.92828	58.4
171.10243	47.9
185.90141	29.6
246.37306	31.7
327.10635	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	80.9
65.67672	35.1
70.35083	100.0
99.79388	39.0
116.92906	66.4
155.89287	38.5
291.11209	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
56.61541	1.0
57.03445	2.6
58.00593	1.2
59.01380	85.2
61.98822	1.2
70.60774	1.4
71.01382	74.2
72.99299	1.5
73.02945	12.6
77.69605	1.0
83.01383	7.9
85.02948	23.4
87.00878	3.9
89.02444	68.4
90.02801	1.0
95.01397	1.8
96.95986	1.4
99.00895	3.8
101.02444	47.1
106.47292	1.2
113.02455	20.6
119.03498	13.4
122.14024	1.0
131.03506	34.8
149.04556	53.5
161.04552	4.0
162.41006	1.1
171.13422	1.2
183.13863	1.4
191.05617	48.0
192.06015	1.3
196.63414	1.1
233.06656	100.0
234.07050	4.5
281.08923	1.2
293.08804	6.2
311.09924	6.1
323.09177	1.7
367.08444	1.2
660.36316	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65120	0.4
59.01379	2.2
70.25903	0.5
70.70313	1.2
73.02934	3.4
81.06448	0.4
85.02952	0.8
89.02435	0.6
96.95998	0.8
101.02485	0.7
108.04568	0.8
111.30826	0.4
119.14799	0.4
122.06133	1.7
124.04017	0.8
127.05141	0.9
129.26964	0.5
136.04007	0.9
148.04053	0.5
150.05618	0.7
152.07179	2.5
158.02547	0.5
171.10362	0.5
186.09225	1.1
190.05106	2.1
201.06696	1.5
202.08827	1.1
209.09584	0.6
213.06693	7.5
214.07379	1.5
214.08896	1.4
215.08255	8.8
216.08817	0.5
227.11928	0.8
229.09782	10.1
239.08240	0.8
243.07744	0.6
243.11368	5.9
244.08525	0.8
244.12093	3.0
245.09290	3.8
255.07741	1.9
255.11383	2.0
256.08395	1.0
257.09302	32.2
258.09787	1.2
259.10846	5.4
260.11603	1.5
272.11667	10.3
273.12399	1.6
275.10385	7.3
287.10349	4.6
288.11105	7.0
289.11856	1.3
290.12704	5.9
299.10428	1.3
316.10773	2.7
317.11267	0.8
331.12988	26.3
332.13354	0.8
334.11734	4.0
349.14032	100.0
350.14334	4.2
355.12964	4.2
373.25735	0.5
597.23627	0.6
613.23370	0.8
629.26202	1.6
645.25470	1.1
705.35675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58548	0.1
59.01380	0.2
61.98828	100.0
64.08650	0.1
69.38820	0.4
72.29849	0.1
96.58152	0.1
101.62436	0.1
105.14061	0.1
107.27512	0.1
111.51904	0.1
111.58804	0.1
127.69210	0.1
158.48657	0.1
194.07671	0.1
289.18582	0.1
290.05627	0.1
319.06070	0.1
379.08444	0.4
380.08554	0.3
381.08975	0.3
382.09256	0.2
466.96417	0.1
681.75244	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
79.50112	0.2
79.74013	0.1
98.21846	0.2
98.28146	0.1
177.61075	0.1
319.06317	0.3
319.36337	0.2
379.08286	1.4
380.08701	0.3
381.08752	0.2
433.02997	0.1
480.75598	0.2
708.30914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35691	1.4
59.01379	5.0
64.24349	1.3
67.01884	4.5
71.01375	4.4
71.43900	1.5
78.69322	1.2
85.02936	6.4
87.00845	2.1
93.03452	25.0
94.73818	1.2
109.02933	1.4
111.00861	2.8
111.04534	4.4
127.04068	1.5
133.02925	2.0
134.03705	3.3
135.03491	3.2
135.04526	64.7
136.04874	2.2
137.02470	5.3
150.03204	1.4
155.03505	3.6
161.02486	5.5
163.06052	1.7
165.46419	1.5
173.04546	100.0
174.04930	3.2
179.03497	64.5
180.03903	1.7
191.01909	1.9
191.05608	42.8
214.01324	1.3
242.01204	2.0
353.08768	99.1
354.08997	3.9
364.08704	4.9
365.08960	3.0
448.80313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
61.98820	3.3
69.31194	6.5
71.01366	2.3
80.05053	6.3
82.02978	1.5
88.96375	1.4
89.02438	1.8
94.02977	15.8
96.00929	1.7
104.05078	2.6
106.06648	2.0
107.03763	6.3
108.04633	1.7
113.02467	1.6
113.36873	1.2
121.05289	1.4
122.06122	27.1
132.04570	2.4
134.06123	10.1
135.06952	1.6
136.04027	3.8
138.05574	8.0
139.02512	1.3
140.07146	2.1
147.05634	1.7
148.04028	3.0
150.05585	7.8
152.07161	53.3
153.07559	2.2
160.03992	1.4
162.05652	1.8
172.11395	1.7
173.04625	1.3
174.05617	3.6
175.31389	1.4
176.05829	1.7
188.07173	3.1
190.05093	3.4
200.74551	1.3
201.10335	4.3
213.10422	4.0
215.11928	2.4
223.08727	1.9
225.10280	5.1
227.11877	3.2
229.09874	7.6
229.13422	2.7
237.10272	3.3
239.11900	4.7
241.09758	4.6
245.12944	10.2
249.10197	1.5
250.07486	4.0
251.08224	1.7
251.12134	1.9
253.09740	2.3
255.11394	5.1
257.09192	2.1
257.12881	3.3
259.10880	2.4
263.08176	1.6
265.09845	4.0
266.10797	1.4
267.07831	1.9
267.11417	3.7
273.12436	5.9
277.09714	3.7
278.06964	2.4
279.07779	5.4
279.11166	2.1
293.09317	13.7
294.09952	4.6
295.10880	8.8
297.12180	1.9
301.11884	14.0
303.13416	4.5
307.10770	2.7
309.12363	6.9
313.11960	5.4
319.12943	35.7
320.13409	2.5
323.10571	6.5
325.11911	1.7
327.13513	5.8
337.08246	10.2
338.08752	1.9
339.09805	3.2
341.10385	2.4
355.13150	3.3
372.13422	2.8
374.15164	6.8
385.14145	3.4
386.14865	4.5
387.15512	5.1
388.16568	1.9
391.15231	2.0
392.15906	5.3
416.16089	6.4
417.16653	1.9
418.13348	1.7
428.16898	1.8
431.18625	1.8
434.17239	4.3
446.16849	1.6
458.17014	1.8
459.17917	5.9
460.18826	3.3
463.17450	2.3
474.19931	1.6
476.18301	2.6
492.21429	3.3
494.19052	1.8
503.17050	4.0
504.17868	11.8
518.19110	11.7
525.21655	1.9
539.22711	5.9
550.22052	18.3
551.21735	1.6
557.24170	5.5
561.29303	1.6
563.23407	1.7
571.25690	3.2
581.24365	6.4
582.24481	1.8
583.21991	4.5
599.25122	36.5
600.25513	5.2
613.26550	1.7
615.24634	6.0
625.23151	3.1
631.27557	5.8
643.24078	43.6
644.24274	4.7
647.27271	6.9
648.26953	1.7
657.25262	9.7
658.26416	1.7
675.26685	100.0
676.26752	15.7
689.27917	12.5
707.29248	26.2
708.29358	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65526	0.4
52.99499	0.4
54.67390	0.5
57.78677	0.4
59.01369	1.6
61.98828	0.8
69.18788	2.5
71.01367	0.6
73.61706	0.6
89.67766	0.5
96.96013	0.5
104.74136	0.4
162.16560	0.4
180.64120	0.4
185.11806	0.5
192.57785	0.5
197.11929	1.1
219.04526	1.3
230.03589	0.5
233.06027	1.3
247.03951	2.9
247.07698	0.7
248.04553	0.7
248.08385	2.3
249.05461	0.8
249.09183	2.0
258.03177	1.4
260.04736	2.2
261.05481	3.6
262.06311	1.8
263.07040	1.5
273.05542	2.3
275.03479	7.4
275.06549	0.8
276.04187	4.5
276.07068	0.6
277.05029	2.2
277.08658	0.9
288.04385	0.8
289.05093	11.1
290.05820	11.4
291.06448	4.6
291.19815	0.7
292.07263	1.4
302.06207	0.4
304.03772	12.1
304.07413	4.1
305.04446	4.8
305.08148	3.1
306.05048	0.8
306.08740	0.7
308.06879	0.7
309.20715	1.4
319.06097	26.9
320.06494	3.9
327.21756	5.1
328.22000	0.5
334.08505	1.7
335.09290	0.9
336.06424	0.7
353.81210	0.6
364.05920	4.7
366.07471	3.0
379.08203	100.0
380.08527	7.5
468.88452	0.5
590.97345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03454	0.8
59.01378	100.0
60.01709	0.7
61.98827	0.4
71.01379	8.3
71.42670	0.3
73.02947	3.6
74.30159	0.3
78.74433	0.2
83.01392	1.7
85.02946	4.8
87.00878	0.6
89.02436	2.3
95.01389	0.6
96.96024	1.2
97.02966	0.4
99.00905	1.3
101.02438	9.9
111.00925	0.3
113.02444	3.8
119.03542	0.4
125.02493	0.3
129.01958	0.3
138.06871	0.5
139.07655	0.2
143.03496	0.6
151.07684	0.3
152.08456	0.5
153.09206	2.0
159.02994	1.0
159.10344	0.2
161.04539	4.1
179.05717	0.4
205.12393	0.9
210.52711	0.3
223.13440	1.3
235.11853	17.7
236.12144	0.6
277.12930	11.6
278.13248	0.4
321.15533	3.5
385.18735	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45548	0.6
55.01875	0.8
57.03439	1.7
59.01377	34.0
61.98827	4.1
67.06286	0.7
69.03447	3.0
69.26684	1.5
69.27106	2.6
71.01378	20.1
72.99307	0.9
73.02947	3.8
77.75774	0.6
82.95403	0.9
83.01378	2.4
83.05010	1.1
85.02962	5.4
87.00883	3.7
89.02440	19.6
93.03441	0.6
93.86440	0.7
95.01363	1.4
95.05006	0.6
97.02951	8.5
97.06582	0.8
98.21804	1.6
99.00878	1.5
101.02440	17.5
109.06593	1.2
111.00873	0.8
111.08157	1.7
113.02445	8.5
119.03511	5.7
119.08671	1.5
121.02878	0.8
125.02444	4.7
125.09769	1.4
137.02455	0.8
137.09695	3.4
139.04042	0.7
143.03477	2.1
153.09091	0.9
161.04578	4.4
163.11246	1.8
165.12856	3.9
167.10825	0.8
170.80582	0.7
171.10268	11.4
172.10725	0.7
179.05623	3.5
179.14459	0.8
181.12358	0.7
183.14040	0.8
185.11800	1.9
191.05573	1.0
193.15965	0.7
197.11826	3.0
207.10208	1.4
209.11880	4.6
211.13437	2.7
217.07169	0.8
221.06633	1.4
223.13309	1.1
225.11310	1.2
225.14943	0.8
227.12979	3.5
235.08170	5.6
247.20627	2.0
253.09340	1.6
273.18573	2.0
287.07947	1.2
290.80557	0.7
291.19629	30.7
292.20065	2.6
305.08762	1.0
309.20697	100.0
310.21082	9.1
323.09653	1.5
385.54175	0.7
389.30002	0.7
397.13464	41.7
398.13705	2.8
409.36874	0.7
415.14542	39.2
416.14929	2.5
707.35162	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24883	1.8
60.20362	1.7
63.21977	1.8
65.57529	2.0
71.01373	6.2
73.27181	2.0
74.37531	2.0
78.98583	5.3
79.95742	7.4
80.96515	52.9
85.02956	2.5
87.00852	2.1
89.28393	1.9
94.98074	14.5
101.02459	2.3
106.98050	2.7
109.90505	1.9
110.57687	2.1
115.82169	2.0
122.97627	2.8
133.23268	1.9
134.97610	4.0
148.99107	2.9
152.98663	2.2
164.98610	6.4
225.00787	14.6
422.80835	2.0
453.14209	2.5
629.27728	2.1
709.38318	100.0
710.38629	7.4
731.83002	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03452	0.7
59.01377	100.0
60.01710	0.7
71.01379	8.9
71.44672	0.2
72.99301	0.2
73.02948	3.8
75.00892	0.2
83.01377	1.6
85.02949	4.8
87.00868	0.4
89.02455	0.9
95.01409	0.6
97.02955	0.4
99.00872	1.4
99.46548	0.2
101.02441	7.0
113.02458	3.6
114.93470	0.3
116.92879	0.5
125.02495	0.3
134.03748	0.2
137.02617	0.2
143.03505	0.4
146.08269	0.3
159.02951	0.9
161.04547	4.0
162.04837	0.2
191.05785	0.2
218.20776	0.2
246.81952	0.2
269.10300	10.6
270.10690	0.7
311.11362	6.2
312.11761	0.3
356.21024	0.4
365.13788	0.2
380.00424	0.2
403.60062	0.2
607.26245	0.8
625.27289	0.5
651.16119	0.3
656.52496	0.2
692.21283	0.2
742.19806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
60.33577	0.3
61.00618	0.3
61.11463	0.3
61.98809	0.4
69.28332	1.6
71.01380	3.3
73.02939	0.8
82.42260	0.3
85.02943	1.7
89.02454	2.6
95.01420	0.4
96.96049	0.3
98.22556	0.5
101.02445	1.4
108.02199	0.5
109.02946	0.6
111.71442	0.3
113.02447	1.5
116.03810	0.3
119.03510	1.2
121.02949	1.5
122.03748	1.2
123.00856	0.8
123.04504	0.3
134.03795	0.3
136.00577	0.5
136.01659	23.5
137.02490	3.5
151.00388	5.1
151.04007	41.1
152.01169	0.4
152.04355	1.5
159.03078	0.3
160.05292	0.6
161.04530	1.9
161.05690	0.3
162.03313	0.4
163.03961	0.5
166.02715	22.7
167.03331	1.1
175.07603	0.4
177.01903	0.8
177.05556	0.7
179.05661	1.5
179.06970	0.3
181.05063	35.0
182.05412	1.6
187.04117	0.3
188.04730	0.5
190.06383	0.5
191.03516	0.4
193.05031	0.5
205.08798	0.5
209.04698	0.4
222.15990	0.3
307.13995	0.7
311.09164	0.4
329.10309	0.7
335.12506	0.7
341.14108	0.6
357.09784	6.8
358.10034	0.8
365.02701	0.3
369.13495	0.7
372.12109	8.9
373.12521	0.9
387.14474	100.0
388.14828	10.0
428.55554	0.3
531.18793	0.5
549.20184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
57.03436	3.9
58.23980	1.1
59.01378	100.0
60.01704	1.3
61.98822	3.7
69.03452	10.7
69.38928	2.9
69.39329	4.1
71.01382	34.1
72.99309	1.7
73.02943	17.9
75.00873	1.2
83.01377	6.8
85.02947	28.8
87.00864	3.8
89.02429	5.3
95.01392	3.5
96.96009	3.4
97.02937	2.7
99.00879	6.5
101.02443	22.8
103.04005	2.5
109.02938	1.4
111.00864	1.5
112.01640	1.6
113.02445	16.4
115.04006	3.1
121.75571	1.2
125.02447	2.6
127.03973	1.4
129.01964	2.0
131.03510	1.5
139.82607	1.0
143.03473	4.2
146.56779	1.3
148.38596	1.3
159.02983	2.3
161.04562	5.3
163.06071	1.4
173.04575	1.3
191.02022	2.1
191.05524	1.3
212.60167	1.0
317.21194	31.5
318.21536	4.1
326.25293	1.4
381.09756	9.4
413.23260	2.3
461.25327	12.0
462.25485	2.0
479.26498	14.5
480.26584	3.2
486.15283	1.3
521.27338	5.5
607.31256	9.3
608.32019	2.7
625.32208	57.6
626.32574	12.0
667.33270	50.8
668.33838	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05197	1.0
55.01876	1.3
56.26529	0.9
59.01380	41.7
59.06689	0.9
61.98531	1.6
61.98830	14.4
69.03423	1.2
71.01380	25.4
73.02940	4.4
78.95882	1.8
81.03458	1.5
83.01384	2.7
85.02935	5.0
87.00868	5.0
89.02444	23.4
95.01406	2.1
95.05042	0.9
97.02949	4.0
97.92496	1.0
99.00896	1.0
99.04562	1.0
101.02444	16.6
111.04573	1.1
113.02452	10.3
119.03513	6.8
125.02451	10.2
143.03470	4.4
161.04581	4.0
169.40460	1.3
179.05598	3.1
219.05307	0.9
221.06660	1.5
235.08232	9.1
253.09355	1.1
253.21722	74.1
254.22125	4.5
287.07730	2.6
305.08881	3.7
323.09689	1.5
397.13492	100.0
398.13907	5.5
415.14590	31.3
416.15042	2.3
593.27301	1.1
651.35895	5.5
711.35736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54375	3.4
57.02035	3.5
59.01388	21.5
61.98823	23.7
65.45426	3.4
71.01376	15.7
73.02968	4.1
78.95909	8.9
80.96467	3.8
83.01400	3.5
87.83863	3.6
89.02426	18.0
94.30514	3.7
96.95980	7.1
100.13131	3.6
101.02437	13.7
113.02412	6.0
117.88425	3.2
119.03518	4.7
125.02428	6.9
125.74515	3.9
128.30730	4.1
152.99574	4.0
195.59810	3.8
235.08226	7.3
277.21588	6.1
279.23282	51.5
287.07813	4.3
369.55011	4.1
397.13474	100.0
398.13724	7.2
415.14444	29.9
542.40503	3.8
577.26886	8.6
593.27289	14.0
677.37756	6.7
713.35278	65.3
714.36902	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31057	0.8
55.01883	1.0
59.01377	39.7
61.98829	4.5
69.03462	2.0
71.01380	22.9
73.02933	3.5
81.98734	0.8
83.01363	2.8
85.02943	5.9
87.00863	3.9
89.02444	24.9
97.02946	4.7
99.00882	1.0
101.02435	18.3
113.02444	7.9
116.97262	2.6
119.03502	6.3
125.02442	7.1
131.03491	1.0
141.01936	1.0
143.03484	3.0
161.04543	3.5
179.05565	3.4
201.40891	1.0
235.08192	10.1
253.09207	1.6
255.23285	67.9
256.23578	4.6
287.07635	2.7
305.08725	3.5
314.68158	0.9
323.09848	1.4
397.13498	100.0
398.13965	4.5
415.14539	27.4
416.14523	1.5
437.43579	1.0
514.13940	1.3
616.20166	4.6
617.20978	1.5
653.37628	6.2
654.37817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54023	0.4
51.57495	0.4
54.54157	0.4
98.22636	0.9
103.35394	0.5
114.33755	0.4
161.15387	0.4
167.04968	0.4
168.74901	0.5
596.21216	0.5
677.49567	2.1
713.47375	100.0
714.47675	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.42898	0.3
70.43401	0.5
78.95918	0.8
105.23463	0.3
152.99545	0.4
154.96004	0.3
163.21643	0.4
174.44363	0.3
273.91150	0.3
399.13992	0.5
427.52292	0.3
594.27655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83478	0.2
52.19942	0.2
59.01378	4.5
61.98834	1.2
63.50278	0.2
71.01389	1.5
85.02936	0.7
85.05412	0.2
89.02450	1.4
98.22711	0.5
101.02419	0.5
113.02433	0.5
131.03447	0.3
145.72627	0.2
149.04463	0.2
154.37599	0.2
155.16107	0.2
200.77303	0.2
219.04660	0.4
221.05971	0.3
232.05415	0.4
233.06042	0.5
234.06796	0.5
237.05644	0.2
245.06062	0.4
247.03868	1.6
247.07695	0.3
248.08417	1.6
249.05521	0.8
249.09148	1.7
253.05043	0.3
258.03207	0.9
260.04764	2.2
261.05505	3.3
262.06180	1.7
263.07031	0.7
273.05615	2.6
274.06216	0.7
275.03510	5.4
275.06674	0.5
276.04211	3.4
276.07791	1.0
277.04990	1.9
277.08633	1.1
288.04282	0.5
289.05054	10.4
290.05811	10.5
291.06589	4.3
292.07312	1.4
293.08087	0.4
302.05768	0.6
304.03754	11.3
304.07404	4.4
305.04468	5.4
305.08160	3.3
306.04922	0.5
306.08823	0.5
308.06897	0.8
319.06085	24.2
320.06662	3.6
321.03894	0.3
328.66122	0.3
334.08469	3.3
335.09094	1.0
336.06317	0.9
338.08005	0.6
364.05859	5.6
365.06030	0.3
366.07419	4.4
367.07748	0.2
379.08194	100.0
380.08487	6.4
462.11328	0.2
549.60260	0.2
673.17303	1.4
715.18750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83478	0.2
52.19942	0.2
59.01378	4.5
61.98834	1.2
63.50278	0.2
71.01389	1.5
85.02936	0.7
85.05412	0.2
89.02450	1.4
98.22711	0.5
101.02419	0.5
113.02433	0.5
131.03447	0.3
145.72627	0.2
149.04463	0.2
154.37599	0.2
155.16107	0.2
200.77303	0.2
219.04660	0.4
221.05971	0.3
232.05415	0.4
233.06042	0.5
234.06796	0.5
237.05644	0.2
245.06062	0.4
247.03868	1.6
247.07695	0.3
248.08417	1.6
249.05521	0.8
249.09148	1.7
253.05043	0.3
258.03207	0.9
260.04764	2.2
261.05505	3.3
262.06180	1.7
263.07031	0.7
273.05615	2.6
274.06216	0.7
275.03510	5.4
275.06674	0.5
276.04211	3.4
276.07791	1.0
277.04990	1.9
277.08633	1.1
288.04282	0.5
289.05054	10.4
290.05811	10.5
291.06589	4.3
292.07312	1.4
293.08087	0.4
302.05768	0.6
304.03754	11.3
304.07404	4.4
305.04468	5.4
305.08160	3.3
306.04922	0.5
306.08823	0.5
308.06897	0.8
319.06085	24.2
320.06662	3.6
321.03894	0.3
328.66122	0.3
334.08469	3.3
335.09094	1.0
336.06317	0.9
338.08005	0.6
364.05859	5.6
365.06030	0.3
366.07419	4.4
367.07748	0.2
379.08194	100.0
380.08487	6.4
462.11328	0.2
549.60260	0.2
673.17303	1.4
715.18750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73508	0.6
55.01888	0.8
57.03442	1.4
58.00596	1.3
59.01378	100.0
68.53888	0.7
69.40446	3.3
71.01382	56.8
72.99294	0.9
73.02961	1.8
78.64840	0.6
83.01392	1.1
85.02953	10.8
87.00884	2.6
89.02443	71.9
95.01414	4.1
96.95981	0.9
101.02449	24.3
113.02445	20.6
119.03510	25.9
121.02970	1.6
122.03728	0.8
131.03516	3.4
133.02902	0.8
134.03793	0.8
135.04573	2.0
136.01711	2.5
136.58749	0.6
136.59859	0.6
143.03532	6.3
145.02985	0.9
146.03798	1.9
147.04608	0.7
149.02449	1.8
149.04614	2.8
150.03220	1.5
151.03958	3.1
161.02473	1.0
161.04565	7.0
162.03221	3.2
163.04054	0.9
164.04906	1.1
165.05650	1.0
175.04044	2.1
177.05627	4.2
179.05624	21.0
179.07120	2.0
189.05627	1.1
190.06407	1.4
192.04466	0.7
251.66997	0.7
260.61121	0.7
284.06839	0.6
285.07834	0.7
333.37750	0.7
357.13440	0.9
360.57831	0.8
373.13104	1.6
475.17978	1.2
505.18646	14.9
506.19116	1.4
535.19720	6.3
706.74072	0.7
715.26959	0.9
715.47925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.1
61.86935	2.2
61.98823	3.9
69.16348	11.6
71.01387	9.0
73.02950	4.0
74.02483	2.5
75.00862	2.5
82.03000	2.7
85.02947	7.4
89.02457	8.0
93.03456	2.9
96.96010	66.7
98.21831	4.2
98.95610	2.6
101.02450	5.7
109.04060	5.2
112.07653	3.3
116.92859	2.3
119.05051	6.4
120.01266	2.8
124.04031	4.7
127.05112	17.5
128.03600	2.7
129.10327	18.4
135.04521	6.5
137.02461	2.8
140.07280	2.8
146.03693	3.0
151.04001	4.6
151.08817	4.4
155.08250	14.9
161.02444	6.0
161.06021	2.9
163.04053	4.1
165.05534	3.5
166.06163	10.3
167.03404	3.2
167.04652	4.2
173.04619	2.6
175.04065	3.5
179.07182	4.0
180.06653	14.8
183.15059	3.6
184.07243	11.1
195.06685	4.0
209.12932	2.5
211.27422	2.5
249.16081	7.7
279.14658	4.5
287.09537	17.3
293.15131	8.9
360.55722	2.1
373.12997	4.0
379.08194	2.8
429.18570	2.4
429.90491	2.1
622.49664	2.5
671.34088	100.0
672.34290	9.3
714.47382	5.8
715.26422	5.2
715.36505	11.6
715.47400	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.8
59.41200	3.9
61.98813	13.2
62.25770	4.0
63.34930	4.3
71.01365	11.3
71.39890	7.7
73.02928	5.2
82.08456	3.9
83.48063	3.8
89.02454	14.8
96.96017	4.3
101.02419	11.0
125.02447	4.7
179.05624	4.8
225.86972	4.5
235.08144	6.8
281.24854	39.4
287.07590	4.5
318.75717	4.4
397.08636	7.4
397.13486	100.0
398.13965	6.1
415.14694	24.8
600.82526	4.4
679.39539	8.2
715.36719	70.7
716.37317	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80207	0.3
61.98804	0.5
64.78251	0.3
66.34606	0.3
71.01366	0.4
72.13423	0.3
92.09925	0.3
126.81546	0.3
129.01924	0.3
134.90651	0.3
150.28146	0.3
219.04546	0.5
234.06895	0.6
245.06044	0.7
247.03986	2.2
248.08493	1.7
249.05525	0.6
249.09200	1.4
258.03189	1.0
260.04779	1.7
261.05557	2.8
262.06305	1.2
264.07693	0.5
273.05545	2.7
274.06366	1.0
275.03522	5.3
275.07080	1.0
276.04221	2.6
276.07816	1.0
277.00330	0.3
277.05139	2.0
277.08636	1.4
288.04318	0.6
289.05075	9.2
290.05789	10.4
291.06543	3.6
292.07309	1.3
293.08435	0.4
302.05945	0.4
304.00293	0.7
304.03772	10.3
304.07419	5.3
305.04462	4.6
305.08127	2.8
306.08817	0.8
308.07181	0.7
319.06110	22.4
320.06714	5.0
334.08334	2.4
335.08972	1.0
336.06470	0.7
338.07880	0.4
364.05847	5.6
365.06180	0.7
366.07349	3.5
379.08218	100.0
380.08618	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35825	0.3
59.01385	2.3
59.20575	0.4
60.39818	0.3
61.98816	0.6
62.44461	0.3
69.71296	0.5
69.71641	1.2
71.01376	1.1
80.19788	0.4
85.02961	0.7
85.27853	0.4
89.02447	1.7
93.38776	0.3
96.96002	1.1
101.02397	0.5
106.10750	0.3
113.60700	0.4
191.05559	0.4
202.54524	0.4
233.06026	0.5
245.05936	0.5
247.03973	1.6
248.08453	2.0
249.05569	0.4
249.09264	1.6
258.03113	0.8
260.04852	1.7
261.05573	2.0
262.06329	1.3
273.05624	2.4
274.06332	0.6
275.03519	4.3
275.06796	0.8
276.04263	2.5
276.07837	1.1
277.05045	1.5
277.08496	0.8
278.09052	0.4
288.04419	0.6
289.05075	9.1
290.05829	10.5
291.06525	4.5
292.07349	2.1
293.08331	0.7
304.03754	9.0
304.07437	4.8
305.04477	5.4
305.08157	3.2
306.05142	0.7
306.08859	0.8
308.06882	0.9
319.06104	21.8
320.06903	3.5
334.08481	4.3
335.09308	0.7
336.06497	1.0
338.07596	0.5
364.05853	4.9
366.07434	4.8
379.08218	100.0
380.08539	6.6
463.10428	0.5
645.38135	0.4
663.79773	0.4
673.17816	5.8
674.16779	0.6
678.69562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98913	0.6
57.99307	0.6
58.73007	0.5
59.01371	2.2
61.98830	49.9
69.79961	1.2
81.65480	0.6
86.11578	0.6
94.12396	0.6
98.22652	1.1
150.88252	0.7
164.61887	0.6
165.66656	0.7
166.58221	0.7
252.72124	0.7
397.13269	0.9
399.14243	0.8
412.15555	1.5
428.15082	0.7
438.09683	1.1
440.14801	0.8
442.64169	0.7
453.11942	1.9
454.09262	0.8
455.17160	6.6
456.17520	1.6
459.16855	0.9
467.13715	0.9
469.11618	2.2
470.11539	1.1
473.18298	12.3
474.18851	1.8
481.11600	1.5
482.12091	0.9
496.13843	7.8
497.15042	3.3
510.15463	1.8
511.16385	11.0
512.13275	17.6
513.13770	5.5
526.14954	9.7
527.15643	10.0
528.16394	3.9
529.16937	1.5
597.19299	3.1
598.19592	1.0
599.22046	6.4
600.20551	1.1
613.19147	1.1
614.20197	100.0
615.20624	35.9
616.20801	4.1
629.22058	2.0
645.22040	2.5
646.19409	2.7
647.19110	0.9
656.20319	2.4
673.21588	1.8
716.22119	3.6
717.23181	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98829	100.0
68.72989	0.1
69.53129	0.1
71.01390	0.2
75.74784	0.1
89.02458	0.2
101.02457	0.2
113.02502	0.1
155.13194	0.1
157.31407	0.1
158.03645	0.1
235.86838	0.1
255.23404	0.3
256.23706	0.3
257.23920	0.2
288.64542	0.1
387.30157	0.1
397.13715	0.1
398.14001	0.3
399.14139	0.3
406.90131	0.1
435.58084	0.1
444.73431	0.1
516.73688	0.1
568.32318	0.1
572.82129	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.58482	1.1
60.97768	1.3
61.98820	2.7
69.08195	8.5
72.54228	1.3
82.95390	1.6
91.00558	1.0
91.09907	1.3
153.27600	1.2
164.29333	1.1
320.79538	1.5
457.18634	1.8
467.13943	1.4
480.14532	1.7
481.11362	3.0
495.14185	1.2
496.13873	13.9
497.14444	5.4
498.15234	2.6
509.14401	1.3
510.15704	6.1
511.16479	9.0
512.16895	4.2
513.17914	3.7
523.16425	2.0
538.15118	2.5
539.19592	2.5
544.16064	2.0
567.19055	9.5
568.19397	1.4
570.17566	3.1
571.18384	5.9
597.19971	2.0
598.20435	4.9
599.12445	2.3
599.21545	30.4
600.21832	5.1
602.17346	2.1
643.21075	1.5
657.22076	16.1
717.24066	87.7
718.24414	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	59.2
70.50176	1.3
70.50505	1.6
107.96981	1.0
213.41606	1.1
247.76233	1.0
253.91399	1.0
440.82712	1.1
441.14923	1.4
457.18509	2.9
459.16876	1.9
463.29086	1.2
467.13391	1.9
480.14328	1.3
481.11261	1.9
481.15356	1.4
495.16876	3.1
496.13867	17.7
497.14313	10.0
498.15201	3.4
510.15326	6.5
511.16132	8.7
512.16785	5.5
513.18109	7.1
514.17957	1.2
527.79498	1.1
530.14716	1.4
539.18921	4.4
544.15997	5.1
567.18903	9.0
568.19086	1.5
570.17480	2.5
571.18378	10.8
572.19116	1.6
583.18365	2.4
597.19910	2.2
598.20502	5.8
599.21460	33.4
600.21747	6.5
602.16315	1.7
657.22168	15.8
658.22839	2.4
717.24139	92.7
718.24420	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50601	0.6
57.53717	0.6
59.01390	3.3
59.95823	0.7
61.98822	1.3
69.69468	2.3
71.00537	0.6
71.01366	2.2
85.02947	1.4
87.00868	0.9
89.02446	1.3
92.33882	0.7
93.03452	2.5
96.96010	1.0
98.22557	1.4
101.02407	0.9
105.03400	0.9
108.02176	1.6
109.56659	0.6
113.02435	0.9
121.02950	6.8
122.03734	11.6
123.00748	0.7
123.04502	2.7
124.18922	0.6
126.96845	0.6
132.02170	2.7
133.02957	10.4
134.03755	3.5
135.04521	1.8
135.61339	0.7
136.01674	1.5
136.05278	1.2
137.06015	0.8
143.04944	0.6
145.02939	1.1
145.06651	0.8
146.03743	1.0
147.04523	14.2
148.05252	2.5
149.02435	22.9
149.06087	7.5
150.03227	65.8
151.03773	1.9
158.03746	3.1
159.04500	6.0
160.05287	15.3
161.06056	7.4
163.03992	1.8
164.04805	7.7
165.05569	41.6
166.05917	1.5
173.06081	5.0
174.06842	2.6
175.04030	1.8
175.07635	15.2
176.04822	6.5
176.07957	0.9
177.05585	8.1
178.06345	9.3
179.07048	1.8
180.04268	3.1
191.07124	2.0
192.07904	6.7
193.08585	1.5
195.06612	18.1
196.06914	0.9
204.07823	0.7
227.07092	0.9
240.04224	0.9
255.06595	2.4
270.08957	2.9
271.09653	2.0
284.10519	0.7
285.11270	2.8
296.10556	1.3
297.11395	1.5
301.10538	1.0
315.12286	2.3
327.12244	0.8
329.13913	33.8
330.14203	2.7
359.14935	2.7
364.51459	0.7
383.14935	1.1
432.15631	2.8
444.15909	1.1
447.18210	9.3
448.18777	1.0
459.18146	3.5
477.19153	100.0
478.19492	11.6
489.19287	1.3
507.20200	18.8
508.20602	2.4
525.21265	59.0
526.21674	6.1
537.21283	1.4
555.22327	26.6
556.22473	2.8
583.27618	1.1
643.30133	0.9
669.25134	1.5
711.54877	0.9
717.27222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43276	0.6
53.80709	0.7
57.01929	0.7
59.01380	6.7
59.32219	0.6
59.69399	0.6
61.98842	2.7
63.03416	0.7
69.41072	3.1
71.01384	3.9
77.01723	0.6
85.02982	2.1
87.00889	1.1
89.02470	2.6
93.02946	0.7
93.03446	4.1
95.05081	1.0
95.31013	0.7
101.02457	2.8
105.03437	1.0
108.02189	1.2
113.02474	2.2
119.05051	0.7
121.02947	5.3
122.03745	13.5
123.04515	1.6
124.01641	0.9
133.02995	3.6
134.03725	1.6
135.04529	1.6
136.01672	1.4
136.05229	0.8
137.06056	0.9
147.04547	4.8
149.02449	17.1
149.06114	1.9
150.03224	95.9
151.03687	3.5
158.03769	1.1
159.04504	3.1
160.05293	10.3
161.04779	0.7
161.06039	4.0
162.03148	0.9
163.04012	1.1
164.04822	6.6
165.05565	100.0
166.05865	3.6
173.06059	2.6
174.06859	1.1
175.03992	0.8
175.07626	9.3
176.04796	1.2
176.07980	0.9
177.05540	3.0
178.06310	5.5
179.05463	1.1
179.06967	0.7
180.04265	6.2
181.05099	1.2
192.07828	3.6
193.08769	1.6
195.06624	63.3
196.06961	2.0
209.03073	0.8
209.11835	9.9
227.12823	1.9
231.22391	0.7
233.12267	0.7
234.76167	0.7
252.07892	0.9
261.39526	0.9
290.51938	0.7
299.12518	0.7
315.12091	1.1
329.13928	35.0
330.14276	1.9
359.14960	2.8
365.97812	0.9
382.40649	0.7
397.13589	5.7
415.14359	2.6
432.15308	0.8
446.39810	0.7
447.18060	3.5
459.17847	2.6
477.19168	30.2
478.19577	4.2
484.52756	0.8
507.20297	7.3
525.21289	53.5
526.21545	8.1
555.22333	17.2
556.22284	2.0
600.44678	0.8
681.22943	0.9
717.25574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
59.23991	0.1
62.40064	0.1
69.12643	0.8
71.01014	0.2
71.01388	2.2
72.68420	0.2
73.02947	0.4
79.95734	1.4
83.01418	0.1
85.02956	0.5
89.02456	2.8
95.01402	0.1
96.96016	100.0
97.95934	0.3
98.22636	0.2
98.95625	0.3
101.02457	1.4
113.02457	1.1
116.46992	0.1
119.03527	1.3
140.39249	0.1
143.03543	0.3
149.02417	0.4
150.03244	0.9
161.04599	0.3
164.04819	0.3
165.05569	0.4
177.05603	0.2
179.05611	0.9
184.38885	0.2
195.06648	0.3
202.97879	0.1
221.06877	0.1
287.09592	20.1
288.09943	1.2
311.09415	0.2
315.66736	0.2
341.14178	0.2
414.96909	0.1
420.88510	0.1
489.18951	0.4
507.20389	0.4
537.21283	0.4
657.31244	0.5
669.25299	0.2
707.76862	0.2
717.27069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77723	0.1
51.87141	0.1
57.03472	0.2
59.01376	3.8
71.01382	2.1
72.99340	0.1
73.02940	0.2
79.95719	1.3
85.02944	0.5
87.00859	0.2
89.02442	2.5
96.96007	100.0
97.95943	0.3
98.21769	0.3
98.95592	0.5
101.02454	1.1
113.02455	0.9
119.03502	0.9
120.01256	0.2
131.03500	0.1
143.03496	0.2
149.02449	0.5
150.03210	0.5
154.91754	0.1
161.04572	0.3
162.03264	0.3
163.11214	0.2
164.04710	0.2
165.05537	0.4
177.05525	0.2
179.05617	0.7
179.07062	0.2
211.28459	0.1
287.09573	19.1
288.09888	0.8
311.09348	0.2
326.11401	0.2
341.14304	0.2
489.19220	0.3
507.20047	0.7
517.82831	0.1
537.21503	0.3
717.26965	0.4
717.38092	0.2
722.91125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	18.6
61.98820	35.7
71.01376	13.0
95.59727	9.2
101.02438	13.0
109.55275	8.9
153.30998	9.1
235.08002	10.9
283.26358	43.4
397.13416	100.0
415.14548	37.0
427.58936	10.1
681.40674	17.2
717.38007	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50383	0.4
61.05678	0.4
69.26262	0.7
69.26682	1.5
75.10751	0.5
79.95734	19.5
80.96519	1.6
81.32615	0.4
93.03442	0.4
98.21917	0.7
107.05036	4.1
135.04535	0.5
143.17468	0.4
160.04050	0.9
160.84296	0.4
161.04840	2.5
162.05602	14.4
163.05971	0.6
174.05617	0.8
176.07169	9.4
188.98949	0.4
191.05675	0.4
242.01279	37.0
243.01544	1.2
257.03635	3.4
272.02383	4.1
284.12921	15.4
285.13187	1.0
289.02570	1.0
341.09021	0.5
364.08591	100.0
365.08881	5.6
365.13165	0.7
366.08362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83169	0.2
55.01881	1.0
56.99844	0.3
57.03442	1.0
58.00610	0.5
58.01232	0.2
59.01380	47.5
60.01712	0.5
61.76240	0.2
61.98826	0.6
61.99551	0.2
67.01865	0.4
69.03455	1.7
71.01381	29.1
71.44711	0.4
72.01707	0.4
72.99313	0.8
73.02946	5.5
74.03969	0.2
75.00874	0.6
81.03466	1.0
83.01390	4.1
83.05010	0.4
85.02951	6.7
87.00874	5.9
87.01375	0.5
89.02444	26.2
90.02836	0.4
91.04008	0.4
91.43595	0.2
93.03493	0.3
95.01376	1.5
97.02946	5.2
99.00895	1.5
99.04556	0.3
101.02444	23.6
103.04053	0.3
109.02955	0.4
111.00924	0.3
111.04527	0.9
113.02443	11.4
113.03245	0.6
115.04043	0.7
116.15746	0.3
119.02664	0.5
119.03504	7.9
119.04316	0.5
120.37272	0.3
121.02974	0.6
123.04522	0.3
124.01682	0.3
125.02453	10.3
127.04025	0.4
131.03508	1.1
133.05081	0.9
139.04013	0.5
141.01924	0.4
143.03496	4.1
149.04558	1.1
161.04553	5.3
167.03552	0.5
169.05072	0.3
171.03047	0.3
179.05597	4.8
185.04530	0.5
199.06166	0.6
217.07187	0.7
219.05182	0.4
221.06641	2.5
233.22720	0.6
235.08214	10.7
245.06718	0.7
253.09274	2.0
259.20645	0.3
263.07700	0.9
275.20032	0.5
277.09442	0.6
277.21719	71.1
278.22040	5.4
287.07724	3.4
305.08780	3.6
323.09653	1.4
379.12448	1.0
397.13489	100.0
398.13809	7.1
415.14557	34.9
416.14740	2.2
637.36584	0.3
675.36163	2.1
676.36707	0.4
742.34564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03439	1.1
57.95411	0.4
59.01379	46.2
61.98818	0.6
69.03452	2.0
70.68851	0.5
71.01380	28.0
71.34309	0.5
72.99299	0.9
73.02950	5.4
75.00864	0.6
78.11574	0.5
81.03450	1.3
83.01385	3.3
85.02950	6.4
87.00874	5.9
88.45788	0.5
89.02444	24.8
91.04003	0.5
95.01376	1.4
97.02955	4.5
99.00874	1.5
99.04517	0.5
101.02441	19.2
103.04037	0.6
109.02937	0.6
111.00865	0.7
111.04518	1.1
112.89865	0.5
113.02450	10.9
115.04044	0.7
119.03503	7.6
121.02966	0.5
124.01629	0.6
125.02448	9.6
131.03502	1.5
133.05106	1.0
139.04039	1.0
143.03500	4.0
149.04605	0.9
161.04553	5.3
167.03470	0.7
179.05620	5.6
196.66040	0.5
199.06189	0.7
217.07030	0.9
221.06659	1.9
235.08217	11.2
253.09248	2.3
263.07721	1.0
277.21729	70.8
278.22067	4.0
287.07748	3.2
305.08731	4.2
323.09811	1.3
379.12186	0.9
397.13483	100.0
398.13852	4.6
415.14542	32.9
416.14600	0.9
635.21851	0.5
662.82202	0.5
675.35992	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
59.81070	0.2
60.18424	0.1
69.47055	0.6
71.01373	0.3
77.17275	0.1
79.95733	1.2
89.02457	0.2
89.27227	0.1
96.96011	100.0
97.95942	0.3
98.95607	0.4
120.01282	0.2
165.05481	0.1
172.20287	0.1
287.09586	19.0
288.09988	1.2
303.09125	0.3
343.60419	0.1
719.28558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.4
61.00202	2.3
61.98816	2.7
70.75263	1.7
71.13664	3.4
80.96506	8.5
92.11694	1.9
102.39903	1.9
116.92857	2.1
152.16800	1.7
215.10736	1.7
225.00778	3.3
299.04401	4.6
441.19434	11.0
443.20761	6.9
460.17731	3.3
471.20264	3.1
482.16180	3.3
497.18365	6.0
498.15457	18.4
499.15707	3.6
507.63406	2.6
512.17084	11.8
513.17694	12.3
514.18445	2.3
555.28394	15.5
556.28949	2.8
569.20166	2.8
583.21777	2.4
585.62970	1.9
600.22284	100.0
601.22748	28.5
602.23444	3.3
615.24835	3.0
631.24017	4.4
632.21497	4.0
659.23529	3.5
719.25452	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
60.12962	0.6
61.98828	100.0
65.32684	0.5
68.97240	0.5
69.36246	2.9
96.96999	0.6
99.77571	0.5
108.02198	1.5
158.69542	0.6
203.08638	1.1
204.05771	0.9
205.06609	0.7
206.15761	0.6
207.08215	0.7
217.06596	1.3
219.08260	1.4
231.08203	0.9
232.05374	2.8
232.46555	0.5
233.06111	1.2
234.06879	1.3
235.07733	1.4
245.06197	0.9
247.07617	2.0
248.08490	1.9
249.05597	0.9
249.09160	1.3
250.06541	0.6
251.07304	1.0
259.07693	0.6
261.05563	1.7
262.06412	1.5
263.07230	1.9
264.04352	3.0
264.07071	0.6
275.07153	4.8
277.05090	1.3
277.08722	1.1
278.05765	3.1
279.06619	9.2
280.07275	0.7
289.05109	1.1
290.05865	0.8
291.06360	0.6
292.03864	1.7
293.08160	5.2
294.08997	7.2
304.07312	0.6
305.04584	0.7
306.05423	1.2
307.06110	4.3
307.09351	0.7
308.10510	13.0
308.13873	0.8
309.07843	0.7
309.11298	9.9
320.07162	0.8
321.07608	3.6
322.08514	2.6
332.06842	0.6
335.05609	1.3
335.09232	9.7
336.09927	2.7
337.10800	28.1
338.11194	1.4
365.10263	33.0
366.10626	2.7
367.08319	1.4
409.09259	40.7
410.09317	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
60.01715	0.2
61.98829	100.0
70.18403	0.2
94.41885	0.2
119.28004	0.2
136.02921	0.2
152.56348	0.2
158.71965	0.2
167.18091	0.2
172.60629	0.2
202.74181	0.2
247.78413	0.2
380.70483	0.2
436.30399	0.2
457.72964	0.3
498.14642	0.3
499.14636	0.6
513.17047	0.3
514.16571	0.3
570.19391	0.4
573.18304	0.2
574.18903	0.3
600.21558	0.3
601.21527	0.5
602.21704	1.1
613.03131	0.2
660.22510	0.5
719.24597	0.3
720.23633	4.7
721.23010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65091	0.4
55.01868	1.3
57.03430	0.8
58.00573	0.7
59.01379	39.7
61.98822	0.8
69.03445	1.3
71.01381	26.0
72.01698	0.5
72.99297	0.8
73.02930	4.1
75.00840	0.7
81.03458	1.3
83.01394	3.0
85.02949	5.5
87.00876	5.6
89.02441	26.2
89.90662	0.4
95.01392	1.8
97.02950	4.7
99.00877	1.3
101.02439	20.6
111.04541	1.0
113.01706	0.7
113.02451	10.3
115.03991	0.5
119.03507	6.4
124.01572	0.7
125.02446	8.6
131.03491	0.9
133.05078	0.5
139.04053	0.9
143.03526	3.0
149.04558	0.7
161.04581	4.4
179.05617	4.8
217.07060	0.7
219.04982	0.6
221.06653	1.5
235.08203	9.9
245.06453	0.5
253.09279	1.5
261.22403	0.6
263.07782	0.6
279.23279	86.2
280.23642	6.1
287.07715	3.3
305.08740	4.2
323.09848	1.4
379.12384	1.0
397.13477	100.0
398.13837	5.6
415.14560	31.8
416.14899	1.5
677.37207	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63086	0.8
55.01871	1.1
57.83179	0.8
59.01380	40.8
60.46018	0.8
61.98816	3.0
64.77207	0.8
69.03454	2.1
69.62226	1.8
69.62585	1.6
71.01379	25.5
72.99271	1.0
73.02943	4.2
77.87808	0.8
78.95919	0.9
81.03466	1.1
83.01393	2.3
85.02951	4.9
87.00877	3.9
89.02443	24.0
95.01405	1.3
97.02938	3.8
99.00873	1.4
101.02441	21.4
111.04513	1.1
113.02454	11.1
119.03497	6.2
121.02980	0.8
125.02454	8.9
131.03517	1.4
138.14558	0.9
143.03477	4.5
148.13116	0.8
156.82393	0.8
161.04520	5.2
164.38426	0.9
164.71179	0.8
164.90179	0.8
166.65071	0.7
179.05635	5.9
211.79857	0.8
217.07101	0.9
221.06676	1.8
229.88362	0.8
235.08211	9.5
253.09282	1.9
279.23279	79.5
280.23550	4.5
287.07751	3.5
305.08817	3.9
397.13483	100.0
398.13870	6.3
415.14539	34.0
416.14868	2.1
677.36926	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28935	0.2
79.54884	0.2
81.03456	2.8
82.06605	0.2
83.05025	8.8
84.05369	0.2
100.07685	0.3
100.26887	0.2
108.04546	0.2
125.07212	0.8
136.99115	0.2
207.15016	0.8
224.17676	1.8
225.16078	9.2
226.16386	0.4
242.18756	0.4
290.22470	0.2
291.20511	0.2
309.21780	0.5
324.26508	0.4
333.22983	0.4
341.29092	0.5
350.24680	0.2
367.27090	1.1
433.31726	0.8
450.34265	1.0
451.26974	0.4
451.32916	5.7
452.32938	0.5
550.43304	0.9
559.39148	0.3
565.44513	0.3
593.44177	0.4
659.48560	1.9
677.49652	100.0
678.49957	14.3
720.50385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.56047	0.1
62.65837	0.1
71.01391	0.3
79.12720	0.1
79.95728	1.3
85.02943	0.2
96.75735	0.1
96.96011	100.0
97.95945	0.3
98.95592	4.0
98.96422	0.8
101.02415	0.2
223.08115	0.2
276.72876	0.1
287.09579	21.8
288.09869	1.7
289.09286	0.8
398.69742	0.1
439.94794	0.1
445.91501	0.1
470.20090	0.2
507.21817	0.1
573.22437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34280	0.8
54.33255	0.9
57.03439	1.3
58.00610	0.9
59.01379	37.8
61.98829	2.2
69.03452	1.4
69.21584	0.8
71.01383	23.1
71.27596	0.9
73.02945	4.8
83.01392	2.5
85.02940	4.7
87.00881	4.1
89.02446	24.0
95.01431	1.5
97.02947	3.3
99.00896	1.2
101.02445	20.5
113.02454	9.3
119.03484	6.1
125.02444	7.7
133.05095	1.2
143.03500	3.1
161.04550	4.3
169.05156	1.0
179.05663	4.3
185.04654	0.8
221.06497	1.3
235.08179	10.3
253.09207	1.6
263.07489	0.8
281.24857	75.1
282.25238	6.0
287.07755	1.8
305.08670	4.1
397.13483	100.0
398.13916	5.3
415.14572	31.2
416.14825	1.3
431.17520	0.9
679.38965	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65690	0.3
59.01382	3.1
61.98834	1.9
71.01384	3.1
72.99290	1.1
73.02940	1.2
79.95734	17.2
80.96523	2.0
83.15115	0.3
85.02950	1.2
87.00878	0.7
89.02449	0.7
93.32177	0.3
94.98100	0.7
95.95222	3.5
96.96009	100.0
99.00904	0.3
100.19975	0.3
101.02447	0.9
109.06586	0.5
110.97584	1.1
113.02462	0.8
116.92815	0.4
122.97588	6.5
131.03479	0.5
135.04483	0.3
137.02441	0.5
138.97079	0.7
150.97066	9.2
152.98625	1.1
161.02376	0.6
163.11314	0.3
168.98100	0.5
171.10252	0.6
182.99609	0.3
194.99644	2.1
207.10240	0.8
210.99168	24.8
211.52399	0.4
211.99538	0.5
212.15950	0.4
225.11305	1.0
251.15993	0.4
268.99796	0.7
289.05109	0.7
290.05853	0.7
304.03696	0.8
305.08002	0.5
313.02328	0.5
319.06247	1.9
325.20300	0.5
343.03397	6.7
344.03513	0.4
379.08066	1.8
387.16345	0.5
723.12329	42.4
724.12628	4.1
752.32617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56664	0.3
59.01383	4.3
61.98833	1.1
67.60392	0.3
71.01382	4.1
72.99325	1.3
73.02955	1.3
75.00880	0.4
79.95739	15.1
80.96522	2.4
83.01392	0.3
85.02950	1.3
89.02467	0.6
94.98087	0.5
95.95232	3.4
96.96012	100.0
101.02438	2.0
109.06585	0.4
110.97584	1.2
113.02460	0.9
118.19798	0.3
122.97587	6.8
131.03497	0.7
138.97081	0.6
150.97070	9.2
152.98630	0.8
168.98149	0.5
171.10234	0.8
182.99789	0.3
185.11723	0.3
191.05635	0.5
194.99741	2.0
207.10248	1.0
210.99176	23.6
211.99521	0.4
223.91130	0.3
225.11276	0.7
226.98729	0.4
249.15431	0.3
268.99771	0.6
275.03345	0.4
289.05069	1.1
290.05890	0.8
301.02191	0.4
304.03839	0.5
304.07327	0.5
305.04456	0.4
305.07809	0.3
313.02441	0.4
319.06125	1.2
322.61865	0.3
325.20300	0.6
343.03384	7.9
356.52557	0.3
379.08069	2.2
387.16663	1.6
499.99799	0.3
575.28430	0.9
598.24872	0.3
619.26917	0.5
679.03772	0.3
723.12341	42.5
724.12878	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03440	0.7
59.01377	100.0
60.01722	0.4
70.19331	0.4
71.01380	10.3
72.99279	0.4
73.02944	4.7
73.19796	0.3
75.00867	0.4
83.01375	2.7
84.26391	0.3
85.02949	5.8
87.00901	0.6
89.02445	2.0
95.01391	0.7
96.96021	0.9
99.00910	1.6
101.02442	12.2
111.00919	0.3
113.02449	4.9
129.01941	0.5
130.50563	0.3
136.01698	1.1
143.03549	0.5
151.04025	1.8
159.03023	1.1
161.04552	5.3
177.16010	0.3
179.05606	0.5
191.05595	0.4
217.10739	0.4
221.11908	0.5
235.11852	19.3
269.10391	1.4
277.12921	10.7
277.15881	0.6
321.10275	0.6
321.15610	1.0
357.13528	2.2
401.14474	10.9
401.19580	0.6
402.14847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	3.0
59.01380	54.2
61.98819	5.3
69.03427	3.4
70.45872	6.0
71.01381	30.1
73.02949	5.3
85.02971	4.6
87.00872	6.5
87.44266	2.5
89.02440	32.5
95.01381	4.0
97.02937	3.4
99.00905	3.3
101.02429	18.8
113.02426	11.4
119.03497	7.8
125.02425	9.4
143.03438	3.7
161.04509	5.3
235.08206	12.4
278.86816	3.1
283.26419	70.2
284.26755	5.8
305.08710	4.1
352.95251	3.0
397.13501	100.0
398.13824	9.3
415.14487	28.8
416.14661	3.3
434.69116	3.0
681.40845	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1937
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
59.01378	3.0
63.02390	0.9
65.00320	1.0
69.47378	1.6
73.02946	0.6
76.63454	0.5
83.01399	0.7
85.02979	0.5
87.54663	0.4
89.02451	1.4
93.03458	0.9
96.96008	0.5
101.02432	0.7
107.01398	2.4
107.61498	0.4
116.46134	0.4
125.36158	0.4
132.02158	0.9
133.02946	0.6
135.00864	1.2
136.01625	0.7
137.02386	0.4
151.00343	4.6
151.04062	0.9
152.00935	0.5
152.04332	0.5
153.54753	0.5
158.43365	0.4
159.04474	0.5
163.00421	1.3
164.01118	0.7
169.01349	0.4
170.15451	0.5
178.99889	1.4
183.04507	1.1
185.02290	0.5
185.05951	0.6
187.04021	1.1
195.04486	0.6
200.04805	0.5
202.02670	0.6
205.12326	0.5
211.04070	2.3
213.05591	1.0
227.03494	42.4
228.03957	1.7
229.05017	3.7
230.05418	0.5
239.03409	1.0
240.04156	0.8
241.04999	0.5
255.02983	77.1
256.03665	8.3
257.04492	4.9
267.55545	0.5
279.76413	0.5
283.02472	1.2
284.03259	100.0
285.04004	30.7
286.04440	1.4
299.09457	0.5
327.05161	0.8
337.90994	0.5
357.13409	1.1
358.13766	0.9
359.13715	0.5
725.19318	78.0
726.19788	7.6
735.26733	0.6
738.92499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34495	0.3
57.03433	0.8
59.01381	8.5
67.01891	4.3
69.03429	0.6
69.14500	0.4
71.01385	4.8
74.53454	0.4
81.03453	1.1
83.05031	0.8
85.02937	1.1
89.02438	1.8
89.02969	0.4
93.03458	23.9
94.03796	0.5
96.95994	1.4
98.56298	0.4
101.02436	1.5
103.48637	0.4
103.86457	0.4
109.02937	0.8
111.00834	0.9
111.04511	4.9
113.02449	1.3
119.03605	0.6
119.05032	11.4
137.02438	4.5
147.44173	0.4
155.03500	3.2
163.04015	14.6
163.11301	3.4
164.04411	0.6
173.04549	100.0
174.04887	1.8
191.05612	1.5
240.49649	0.4
337.09271	32.4
337.61841	0.5
338.09586	1.6
387.16611	24.2
388.16916	1.6
395.94830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33282	0.4
55.01859	0.4
57.03427	0.5
59.01381	2.9
61.59953	0.4
61.98819	1.3
71.01387	1.5
73.02937	0.7
75.00900	0.4
80.02672	1.5
81.03447	1.7
83.05023	7.0
84.02151	1.9
85.02952	1.2
89.02415	0.4
89.83713	0.4
93.03453	0.4
95.05006	1.0
96.96011	3.6
97.06559	0.5
101.02453	0.7
111.08113	0.4
112.85094	0.4
113.02431	0.5
119.03522	0.5
121.02941	3.3
122.99683	0.3
123.08138	0.4
125.06057	0.6
133.06567	0.6
134.03723	0.7
135.04512	0.6
135.08177	1.1
141.95053	0.4
149.02403	0.7
151.04047	0.5
161.02379	0.5
161.06047	1.1
163.04034	1.1
163.11279	5.4
164.04773	0.6
165.12845	3.8
175.00351	1.5
175.03935	0.4
181.05121	1.1
181.12350	0.7
189.05551	1.4
190.02715	3.5
191.10789	1.4
193.05095	3.0
205.05081	2.9
209.11819	100.0
210.12154	4.5
223.06099	1.2
227.12881	56.2
228.13252	2.3
259.15497	4.4
297.07440	0.6
309.07669	1.3
312.10254	0.5
324.09888	0.6
327.12503	0.6
327.21619	1.5
363.05249	0.7
367.10291	3.8
415.14609	0.6
584.17957	0.4
681.34296	0.5
722.33459	0.4
725.24866	1.8
725.36029	0.5
726.25079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03427	0.8
59.01377	100.0
60.01706	0.7
60.09761	0.4
70.40459	0.9
71.01382	8.6
73.02947	3.6
83.01400	2.4
85.02951	5.2
87.00892	0.7
89.02435	3.2
93.03442	0.6
95.01379	0.9
96.96026	0.8
97.02996	0.5
99.00896	1.6
101.02438	10.2
113.02441	4.9
116.92883	0.6
119.03489	1.0
119.05028	0.5
140.49438	0.4
143.03497	0.7
159.03029	1.0
161.04553	4.6
163.04106	0.4
169.64832	0.4
173.04533	2.6
179.05661	1.2
191.05640	1.0
223.13342	0.4
235.11852	19.6
236.12326	1.0
255.35013	0.5
277.12894	13.3
278.13306	0.5
312.03006	0.6
313.03128	0.6
329.14227	0.9
337.09293	1.0
372.33981	0.5
387.16650	0.5
521.05981	0.4
622.15002	0.6
725.19122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52657	6.0
52.87216	5.7
55.43108	5.5
56.16661	5.8
56.40017	5.5
59.01381	33.9
61.98849	6.1
71.01375	13.4
89.02451	8.8
101.02464	17.2
102.83059	5.8
118.33854	6.1
125.02394	6.5
179.05577	6.9
195.13979	7.9
223.13274	7.8
235.07970	7.8
293.21204	100.0
294.21634	10.4
347.18515	7.7
397.13367	30.9
415.14529	52.5
691.35547	20.3
727.33423	70.8
728.33466	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92159	8.5
59.01365	45.6
66.03333	7.0
69.28368	28.6
71.01377	20.6
89.02423	12.8
101.02431	19.7
119.04974	18.6
136.50551	7.7
154.31969	7.1
163.03925	10.6
235.16963	12.0
275.20081	29.7
293.21210	69.7
353.06519	11.5
397.13474	85.6
415.14395	41.2
510.40268	8.9
563.19208	8.1
691.35559	13.7
727.33112	100.0
728.34155	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26792	0.3
57.03446	1.4
59.01376	1.4
62.79947	0.3
64.53918	0.3
69.03452	1.2
69.46690	1.3
71.01387	0.5
72.33568	0.3
83.05029	0.4
84.24469	0.3
85.02956	5.4
85.69614	0.3
96.96011	0.5
97.02937	0.8
97.06594	2.8
119.08663	0.4
125.09692	0.5
127.11333	0.9
137.09729	1.6
165.12802	0.7
167.14345	0.8
171.10266	13.9
172.10736	0.5
175.11389	0.4
177.12978	0.4
179.10635	0.3
183.13965	1.9
185.11821	1.0
193.12405	1.0
197.11746	0.4
201.11348	0.5
203.10706	0.6
209.11887	1.5
211.13400	13.9
212.13690	0.4
221.11865	2.2
229.14436	11.2
229.16667	0.7
230.14789	0.5
239.12843	1.8
247.20740	0.4
291.19733	3.3
309.20615	1.0
327.21750	100.0
328.22110	8.9
329.13916	0.5
700.06696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
57.84684	0.7
59.01376	7.7
61.07639	0.7
69.29201	4.0
71.01384	5.0
73.02948	0.9
75.00858	2.9
79.95726	0.8
80.14624	0.8
85.02953	1.9
87.00864	1.7
89.02437	4.4
89.03959	1.4
96.96007	1.0
98.75375	0.8
101.02435	1.4
113.02470	1.8
117.03465	8.0
119.03440	0.9
125.02444	1.2
129.01927	1.3
130.83450	0.8
134.03737	86.8
135.04065	2.6
137.02336	0.8
140.90323	0.7
147.02997	4.6
149.06073	9.3
165.03999	2.8
165.05537	2.2
178.02737	1.7
193.05048	100.0
194.05376	3.1
194.53827	0.8
195.06590	1.0
207.10385	1.2
291.09106	7.4
293.08838	1.8
298.08264	1.0
313.10724	1.1
341.08749	55.5
342.08939	3.5
361.45361	0.9
387.16644	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01379	100.0
60.01704	0.6
71.01383	8.9
71.43198	0.4
73.02949	3.4
83.01405	1.1
83.52481	0.4
85.02950	4.1
89.02443	2.4
89.02964	0.4
90.40605	0.4
95.01385	0.9
99.00887	1.3
101.02444	5.4
113.02448	3.7
119.03535	0.5
120.17509	0.5
143.03548	0.5
159.03023	0.8
161.04538	3.4
211.13483	0.5
241.66023	0.3
251.16565	0.4
315.18097	8.8
327.21725	4.0
328.22183	2.6
329.22397	0.6
357.19177	4.3
629.65808	0.5
724.16193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85828	0.8
57.03447	1.1
59.01380	100.0
69.47185	2.0
69.47586	2.7
71.01379	9.5
73.02954	4.7
83.01413	1.4
85.02941	7.2
88.02424	0.9
89.02463	1.9
96.96030	1.1
98.21855	2.3
99.00913	1.2
100.57703	1.0
101.02427	6.0
113.02438	2.3
115.14259	1.0
130.54680	0.9
134.18741	1.1
150.57573	1.3
161.04559	3.2
171.10310	1.3
315.18091	6.4
327.21829	5.8
327.36954	1.1
328.22021	4.1
357.19257	4.3
401.14236	2.8
644.22223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79414	2.1
61.98814	6.6
80.08773	2.3
107.05733	2.1
122.08902	2.3
122.67442	2.3
131.07156	2.9
174.00960	2.3
279.14459	2.2
373.51105	2.3
526.15198	3.1
601.19116	4.6
687.23053	3.6
719.27521	2.7
730.23621	100.0
731.23920	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	10.3
62.84056	2.6
63.11026	2.5
69.65147	3.3
75.00867	3.5
76.05746	2.8
78.95875	3.1
82.06314	2.6
92.84671	2.7
132.04167	2.6
160.61847	3.0
164.63693	2.7
164.68794	3.0
192.26013	2.8
261.93741	2.7
511.13156	3.0
523.15759	4.2
526.14868	8.2
569.16583	8.0
586.17358	4.6
596.18683	8.9
597.19666	8.7
612.18591	19.0
627.21216	6.6
631.23810	4.2
655.20776	4.8
657.21472	8.9
672.20697	45.8
673.20947	11.8
687.23242	8.4
730.23694	100.0
731.23895	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03006	0.3
53.15724	0.3
59.01378	9.5
60.99303	17.2
61.98823	0.9
69.03467	0.4
69.07378	1.0
69.07783	0.7
71.01378	4.9
73.02949	2.7
83.01386	1.2
84.95098	0.3
85.02956	1.5
87.00865	3.2
88.98803	100.0
89.02445	6.1
89.99164	0.5
94.63199	0.3
95.01389	0.4
96.96000	0.5
97.02950	1.8
101.02464	4.1
113.02437	1.7
115.04017	0.4
115.13927	0.2
116.92841	0.3
119.03486	0.9
125.02496	1.6
131.03505	0.6
133.52196	0.3
143.03502	3.5
161.04553	2.2
164.77719	0.3
173.81334	0.3
175.08795	0.3
179.05611	2.1
191.05431	0.3
203.05606	1.4
209.11807	0.3
221.06631	2.1
241.04871	0.3
261.05646	0.3
263.07635	0.9
271.09775	0.4
273.05521	0.3
277.04852	0.3
289.05072	1.2
290.05887	1.0
304.03720	0.8
304.07193	0.4
305.08710	0.9
319.06079	2.1
320.06622	0.5
323.09586	0.5
334.08521	0.4
352.97220	0.3
379.08203	10.3
380.08688	1.0
536.96198	0.3
658.92529	0.3
711.51904	0.3
733.42627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.3
59.01378	11.4
60.99306	18.0
61.98823	0.7
63.24822	0.3
69.03438	0.5
71.01382	6.3
73.02943	2.9
81.03435	0.5
83.01385	0.9
85.02966	1.8
87.00883	3.9
88.98805	100.0
89.02433	7.3
89.02939	0.5
89.99146	0.9
95.01404	0.6
96.95995	0.5
97.02945	2.7
101.02444	5.5
103.83380	0.3
113.02451	2.4
115.03998	0.5
116.92877	0.5
119.03496	1.4
125.02438	1.9
131.03467	0.8
143.03488	4.2
149.02538	0.4
149.04527	0.3
161.04544	2.5
165.05426	0.3
166.12975	0.3
179.05573	2.2
187.99812	0.3
191.05562	0.4
203.05647	2.2
221.06651	2.4
263.07669	0.4
271.09946	0.4
273.05475	0.3
277.04987	0.5
289.05096	0.8
290.05780	0.6
291.06497	0.3
301.10907	0.5
304.03772	0.7
304.07391	0.3
305.04825	0.3
305.08667	1.3
319.06137	2.1
323.09415	0.7
352.97394	0.3
364.05899	0.6
366.07303	0.4
379.08197	9.9
380.08456	1.9
381.08685	0.4
705.83270	0.4
733.43341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03445	1.8
59.01380	100.0
61.98819	3.3
69.03445	3.4
71.01382	46.5
71.01783	1.7
71.44650	1.6
72.99303	1.7
73.02946	29.4
81.03443	2.2
83.01389	8.6
85.02953	12.0
86.00056	0.9
87.00882	23.5
87.04489	1.0
88.98820	1.8
89.02450	28.4
95.01391	4.9
96.96025	1.3
97.02955	24.0
99.00874	3.3
101.02444	54.3
113.02454	19.2
115.04027	6.6
116.92871	1.4
119.03516	11.8
125.02450	15.9
129.01962	1.6
131.03488	4.1
135.04482	0.9
143.03508	39.2
149.04547	1.7
159.03020	2.0
161.04575	21.6
162.31053	1.0
179.05614	24.4
203.05621	21.1
221.06656	26.2
235.08197	2.5
255.06721	1.3
263.07764	7.2
303.60623	1.0
305.08807	11.1
323.09412	3.8
367.08252	1.7
379.08170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.6
67.18226	0.6
69.55579	2.4
72.13140	0.6
112.75857	0.5
115.89037	0.5
145.18388	0.7
189.18681	0.6
206.61568	0.6
259.89508	0.6
282.34628	0.7
305.87900	0.7
427.13846	1.2
438.09564	1.3
441.15411	0.9
442.16568	3.8
444.14502	0.7
453.11816	1.8
454.09146	1.0
455.17419	8.5
456.17667	2.1
457.18845	12.8
458.19357	1.2
459.16544	1.4
469.11493	2.4
470.15842	1.9
473.18323	12.3
474.14868	3.0
481.11462	1.1
482.12015	0.9
483.12711	1.3
485.18625	5.6
496.13696	7.7
497.15051	2.9
498.65674	0.7
501.17770	1.1
510.15308	1.9
511.15915	9.4
512.13293	22.3
513.13739	4.4
513.21198	1.9
515.19391	0.9
526.14868	14.5
527.15594	15.0
527.23645	0.8
528.16437	4.2
529.17291	2.1
543.19666	0.7
555.18597	1.2
560.15131	1.5
583.18085	8.5
584.18683	1.3
597.19720	4.5
599.21674	7.9
600.21484	1.1
613.19604	1.7
614.20166	100.0
615.20660	32.5
616.21118	2.2
627.76489	0.8
629.22327	1.6
630.22534	0.6
645.22052	2.0
646.19318	3.4
673.21436	6.5
674.22003	0.9
733.24005	4.1
734.24042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03447	2.6
59.01378	100.0
61.69716	0.8
69.03443	1.4
69.21562	2.6
69.21966	1.7
71.01381	26.6
73.02946	7.4
76.02522	0.8
78.62967	0.9
83.01387	2.5
85.02955	13.1
87.00879	2.1
89.02444	10.2
95.01398	4.3
97.02943	2.7
99.00882	2.1
101.02430	11.5
102.77517	0.9
103.50193	0.8
111.00871	0.9
113.02449	20.1
119.03516	3.5
124.01669	2.2
124.87774	0.8
125.02452	5.6
142.02591	0.8
143.03497	3.6
159.02977	1.1
161.04562	5.8
172.33035	0.8
179.05556	2.0
187.99559	1.2
237.07652	1.2
238.71642	0.9
261.05322	0.9
266.73953	0.8
275.03543	1.0
280.73288	0.8
289.05002	2.3
290.05908	2.0
304.03760	2.3
304.07098	1.0
305.04449	1.5
305.07968	1.8
319.06097	5.6
320.06674	1.4
334.08490	1.5
356.13016	0.8
364.05908	1.4
366.07236	2.0
379.08221	30.4
380.08557	3.2
381.22858	2.0
399.23746	2.0
446.11172	1.0
477.25247	1.2
489.24963	1.1
495.25870	0.9
507.25925	1.8
525.26984	23.7
526.27185	2.1
543.28082	56.7
544.28528	5.3
561.29144	19.1
562.29498	1.4
585.29138	12.0
586.29510	1.3
603.30267	18.7
604.30530	2.7
645.32147	1.7
715.46228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98836	1.8
64.57586	1.4
69.03454	1.7
69.09857	6.6
71.01379	29.9
73.02940	22.0
83.01384	4.6
85.02949	12.2
87.00874	2.3
89.02454	17.9
93.03461	1.8
95.01394	5.3
96.95982	2.1
97.02906	1.6
99.00882	1.6
101.02438	18.8
108.13809	1.4
113.02448	28.7
114.15055	1.5
119.03508	4.6
125.02475	4.5
132.16988	1.3
141.56648	1.5
143.03513	3.4
150.03151	1.4
161.04567	8.8
164.04593	1.3
169.73306	1.4
179.05647	4.4
182.93741	1.3
195.06589	1.8
209.11806	1.7
221.06706	1.9
255.06648	4.5
270.09003	4.8
271.09647	1.6
301.10794	4.3
309.53528	1.3
325.34412	1.5
359.13055	1.6
363.04974	1.8
393.06372	1.8
520.64117	1.7
525.27020	13.7
526.27533	2.6
543.28021	37.7
544.28375	4.2
561.29462	9.0
568.65570	1.6
585.28992	11.6
603.29999	10.9
645.31476	1.6
678.28186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11873	0.8
58.41604	0.7
63.14834	0.7
68.87165	0.7
69.14161	4.2
75.37259	0.8
99.34052	0.6
108.19779	0.7
143.81322	0.7
210.69110	0.8
277.21695	2.7
301.91562	0.7
455.35284	100.0
456.35684	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56557	10.3
61.08915	9.3
61.98823	100.0
64.98885	11.0
66.18589	9.8
92.79501	8.1
100.12234	8.1
128.64870	8.4
171.10246	21.3
277.21494	10.6
330.43652	9.9
342.14639	9.1
410.02017	9.9
735.37878	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
59.76874	0.1
60.15588	0.1
61.98827	100.0
62.22212	0.1
71.01377	0.2
85.02953	0.1
99.40443	0.1
138.50883	0.1
142.89166	0.1
209.11786	0.1
227.88818	0.1
229.37833	0.1
290.05908	0.1
291.06424	0.1
319.06104	0.1
322.07031	0.1
379.08124	0.8
380.08514	0.7
381.09052	0.6
382.09122	0.4
545.30176	0.2
546.30322	0.2
606.32452	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98827	100.0
67.43863	0.1
69.41386	0.2
69.41776	0.3
71.01396	0.4
71.84897	0.1
73.02956	0.5
73.77476	0.1
85.02967	0.3
87.00901	0.2
89.02460	0.4
101.02457	0.6
103.04019	0.3
119.03528	0.2
131.03494	0.1
163.06105	1.1
164.06435	0.1
205.07245	0.3
212.31541	0.1
247.08185	0.5
248.08553	0.2
290.05719	0.2
319.06158	0.1
366.07504	0.2
379.08221	0.6
380.08630	0.6
381.08841	0.4
382.09262	0.3
398.28809	0.1
589.82672	0.1
596.80011	0.1
692.36603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.40477	0.5
82.95391	0.4
87.62471	0.5
102.35982	0.4
143.12917	0.4
202.74567	0.4
241.25861	0.4
243.27872	0.4
295.22839	0.6
455.18320	0.5
496.14044	0.7
512.14587	0.8
515.13641	0.6
526.15173	0.5
527.15021	0.5
528.15613	0.5
529.15814	0.6
576.24243	0.4
586.20355	1.2
614.20453	4.0
615.20856	1.3
616.21344	1.7
617.20386	6.3
618.21124	1.7
676.20270	0.5
707.49341	0.5
736.22327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.3
59.51862	0.7
61.98829	2.1
65.34478	0.6
69.03452	2.5
69.90938	1.2
69.91262	1.7
71.01379	30.0
73.02945	4.2
81.03463	1.4
83.01389	3.9
84.64953	0.7
85.02937	5.7
85.19061	0.8
87.00880	6.2
89.02445	27.9
89.67099	0.7
95.01392	2.0
96.96026	0.8
97.02973	4.6
101.02440	21.3
113.02441	11.7
115.04019	1.0
119.03494	6.9
125.02441	9.3
131.03494	1.7
139.04016	1.1
143.03496	3.0
149.04562	1.3
161.04530	3.9
169.05145	0.8
179.05650	4.7
181.56313	0.7
189.77309	0.7
199.06125	1.1
217.07060	1.2
221.06671	1.8
235.08221	9.9
253.09206	2.0
279.23291	81.9
280.23682	6.6
287.07642	2.9
297.47903	0.7
305.08823	4.2
323.09793	1.2
336.91974	0.7
379.12338	0.8
397.13495	100.0
398.13818	5.9
415.14520	31.4
416.14954	1.1
420.33780	0.8
677.37250	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.5
75.36539	0.2
75.69173	0.2
81.02997	0.3
81.03452	4.8
82.06585	0.3
83.05023	12.6
84.05332	0.2
105.46918	0.2
107.06187	0.2
108.04497	0.2
125.07158	0.6
126.05604	0.5
143.08287	0.4
207.14948	0.7
224.17682	2.1
225.16071	13.1
226.16440	0.4
242.18805	0.6
252.31723	0.2
309.21799	0.7
318.57974	0.2
324.26593	0.4
333.22958	0.6
341.29095	0.4
367.26959	1.8
385.27954	0.2
433.31686	1.1
450.34378	1.2
451.32855	9.0
452.33200	0.8
550.43652	1.2
559.39716	0.5
565.44476	0.5
593.43988	0.9
603.20490	0.2
636.87213	0.2
659.48517	2.3
660.49207	0.4
671.39832	0.2
677.49646	100.0
678.49969	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62729	0.1
59.01372	0.5
59.28462	0.1
60.01697	0.1
61.91872	0.1
61.98828	100.0
62.98525	0.1
67.93754	0.1
71.01386	0.3
89.02467	0.2
101.02464	0.3
113.02492	0.1
125.02481	0.1
143.03374	0.1
206.24022	0.1
235.08281	0.1
277.21866	0.3
278.22058	0.4
279.22397	0.2
330.27939	0.1
376.56152	0.1
397.13367	0.2
398.13904	0.3
399.14008	0.4
400.14301	0.2
415.14505	0.1
416.15231	0.1
417.15283	0.2
573.74280	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
61.98830	100.0
71.01387	0.3
74.66080	0.1
84.58843	0.1
89.02475	0.2
95.14246	0.1
98.22694	0.3
101.02449	0.2
119.03577	0.1
173.76627	0.1
200.34654	0.1
235.08333	0.1
253.83505	0.1
270.96906	0.1
275.86462	0.1
277.21805	0.3
278.22174	0.4
279.22504	0.2
377.11090	0.1
397.13672	0.3
398.13928	0.2
399.14117	0.5
400.14392	0.3
417.15210	0.2
482.05042	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57142	0.3
55.01867	0.7
57.03438	0.4
59.01378	100.0
60.01718	0.6
63.87397	0.3
69.03459	1.4
69.19290	0.7
69.19700	1.3
71.01382	20.8
72.99318	0.6
73.02946	50.8
74.03290	0.5
75.00860	0.7
79.48260	0.4
81.03448	0.5
83.01389	11.6
85.02958	3.7
87.00874	0.7
89.02450	7.6
95.01392	1.5
96.18977	0.3
96.95992	2.7
97.02917	0.7
101.02444	38.4
102.02770	0.4
105.02025	0.4
113.02454	14.4
115.90553	0.4
119.03510	4.6
125.02422	1.1
131.03497	4.0
131.48468	0.4
143.03517	3.3
149.04561	8.6
155.03473	1.5
161.04562	13.7
191.05435	0.4
203.05664	1.8
203.07288	0.4
221.06668	3.3
260.28088	0.4
289.10916	1.1
325.12695	0.7
327.93127	0.4
417.67575	0.4
639.50879	0.4
644.36505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01362	0.7
69.33470	1.0
111.08138	0.9
112.66456	0.3
116.72844	0.3
152.87862	0.3
165.12833	21.2
166.13185	0.8
183.13889	89.7
184.14232	4.0
209.11841	1.8
211.53809	0.3
227.12875	100.0
228.13185	4.6
267.90341	0.3
289.05072	0.3
290.05734	0.4
319.06134	0.5
379.08173	1.2
472.98663	0.3
686.36407	0.3
704.61938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
59.01377	42.0
61.98800	1.8
69.03438	1.4
71.01379	28.7
73.02940	5.5
81.03445	1.3
83.01370	3.5
85.00432	0.7
85.02936	6.0
87.00859	4.6
87.37038	0.8
89.02438	23.8
95.01389	2.9
97.02931	4.9
98.21880	1.8
99.00889	1.7
101.02441	18.3
113.02452	9.9
114.33777	0.8
114.93188	0.7
119.03488	6.4
119.28248	0.7
125.02454	9.9
125.03327	1.3
131.03510	1.4
133.05042	1.0
143.03511	2.8
152.47186	0.9
161.04552	4.3
171.10286	1.1
179.05591	4.2
217.06911	0.9
221.06706	1.5
225.11339	1.6
235.08212	9.5
253.09261	2.7
263.07831	1.3
277.21609	4.2
281.24835	80.6
282.25189	6.4
287.07764	2.7
294.22141	0.7
305.08716	3.6
323.09668	1.0
397.13489	100.0
398.13818	4.9
399.65231	0.9
415.14526	30.6
416.15097	1.1
679.39044	6.1
732.36377	0.9
764.84143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
60.00960	0.1
61.98829	100.0
69.91695	0.4
77.83505	0.1
98.22560	0.2
116.67274	0.1
171.24776	0.1
223.45732	0.1
279.23312	0.2
280.23718	0.3
313.31195	0.1
397.13535	0.1
398.13849	0.2
399.14081	0.3
400.14294	0.1
577.26550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50716	0.1
53.66448	0.1
59.01376	0.4
61.98827	100.0
62.98524	0.1
69.20388	0.4
71.01388	0.3
87.76695	0.1
89.02430	0.2
97.85867	0.1
101.02468	0.2
113.02472	0.1
125.02409	0.1
146.40610	0.1
148.23064	0.1
160.46724	0.1
279.23300	0.3
280.23581	0.4
281.23975	0.2
397.13632	0.2
398.14069	0.2
399.14093	0.5
400.14490	0.3
415.14560	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98828	100.0
62.99256	0.1
83.05037	0.2
99.75106	0.1
125.12453	0.1
162.12364	0.1
537.11688	0.1
678.50293	0.2
679.50146	0.6
680.50531	1.3
740.49347	1.8
741.49683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1884
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
59.01380	2.6
63.02401	0.5
65.00320	1.2
69.38081	1.1
69.38486	0.7
71.01390	1.1
83.01400	0.8
85.02940	0.5
89.02455	1.4
90.48164	0.3
101.02432	0.6
106.73756	0.3
107.01395	2.4
108.02169	1.2
109.02911	0.3
111.00928	0.3
111.09013	0.3
119.03503	0.4
121.02948	0.8
135.00894	0.6
148.01697	1.5
151.00372	7.5
163.00365	1.1
164.01157	0.6
178.99864	4.1
179.05548	1.2
187.04002	0.8
199.04010	0.4
201.01938	0.4
211.04143	0.4
215.03537	0.4
216.04282	0.7
217.38199	0.3
226.02731	1.6
227.03534	2.8
243.00604	0.7
243.02975	8.3
244.03513	0.6
254.02252	1.9
255.02974	23.2
256.03369	1.5
271.02475	54.7
272.02988	4.6
273.03833	0.7
299.01956	2.2
300.02737	100.0
301.03342	13.3
302.03867	0.4
339.12173	0.8
354.09540	0.4
361.22113	0.4
501.17963	0.9
741.18823	56.2
742.19019	8.5
742.32300	0.4
746.11945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37799	2.5
58.83932	2.5
59.01379	46.3
61.98830	4.3
69.03453	2.7
71.01373	24.4
71.55209	2.3
73.02939	4.2
85.02943	6.3
87.00865	6.8
89.02450	22.2
96.95988	4.2
97.02976	7.0
97.49062	2.4
101.02433	21.8
109.88236	2.6
113.02468	11.0
119.03508	8.2
120.51884	2.3
125.02438	9.4
142.28046	2.4
143.03436	3.1
146.48465	2.3
150.19148	2.3
161.04552	3.3
179.05611	6.0
235.08223	8.6
271.30988	2.7
279.23447	3.3
283.26440	83.4
283.29602	4.1
284.26779	4.8
291.88058	2.4
293.17923	7.5
305.08707	4.0
324.76157	2.2
355.44452	2.3
397.13492	100.0
398.13849	6.0
415.14539	30.6
447.25089	3.2
448.66263	2.6
483.80011	2.6
681.41040	5.5
739.22888	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80775	0.2
59.01363	0.4
61.98826	100.0
64.12483	0.2
69.67133	0.4
86.78079	0.3
89.02467	0.3
93.61812	0.2
109.92595	0.2
113.33649	0.2
136.49182	0.2
202.24672	0.2
208.98447	0.3
209.11902	0.3
277.21774	0.5
278.22202	0.2
281.24860	0.3
282.25299	0.4
352.69464	0.2
398.13788	0.4
399.14288	0.3
470.67377	0.2
579.29504	0.2
668.65411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98820	0.5
69.98058	0.7
71.01382	1.1
73.02937	2.0
83.01402	0.6
84.95110	0.4
85.02948	0.7
87.00893	1.1
89.02440	1.1
91.68192	0.2
93.03475	0.4
96.96030	0.4
98.21954	0.3
101.02436	2.9
113.02456	0.5
116.92883	0.6
121.06593	0.4
122.03705	0.4
131.03532	0.3
135.04509	0.8
136.05293	8.6
137.06082	0.4
148.05263	0.3
149.06099	1.6
150.06865	0.6
162.06801	0.5
163.07614	0.4
164.08434	1.4
165.09190	4.7
220.05266	0.3
221.06024	0.4
232.05251	0.5
233.06000	1.6
234.06828	0.8
235.07632	1.2
245.06055	0.6
247.03972	0.3
248.04778	1.0
249.05493	0.6
250.06285	0.6
251.07028	0.7
259.03922	0.3
260.04694	0.5
261.05563	5.3
262.06302	4.8
263.07047	2.0
265.05255	0.2
273.05295	0.3
275.03574	0.3
276.04385	0.3
277.04993	0.9
278.05872	0.4
279.06616	1.5
284.46310	0.2
289.05054	4.0
290.05713	1.9
291.06552	0.8
303.06747	0.7
305.04596	2.5
305.07874	0.4
306.05313	2.8
307.06030	4.5
308.06497	0.4
317.04590	0.3
329.23468	1.4
331.06119	0.5
333.04062	1.8
334.04767	5.7
335.05600	11.9
336.05911	1.0
362.04132	0.6
363.05084	100.0
364.05402	11.2
376.05789	0.4
377.06607	1.4
378.07117	0.4
434.30502	1.0
447.07227	0.3
448.31876	0.4
449.32703	3.6
476.31421	0.4
477.32547	1.1
494.32523	0.6
495.33240	5.2
509.10638	0.7
537.10284	3.7
538.10950	0.6
657.38745	0.6
699.39575	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98834	0.4
70.39428	0.2
71.01386	0.3
73.02944	0.1
79.52660	0.1
79.95723	1.4
82.69209	0.1
84.12780	0.1
85.02940	0.1
96.96007	100.0
97.95973	0.2
100.68997	0.1
101.02422	0.2
123.53029	0.1
127.06678	0.1
153.52432	0.1
161.02444	0.1
163.11296	0.2
168.00696	0.1
177.09378	0.1
179.05275	0.1
205.05148	0.1
243.12323	0.2
287.09570	29.2
288.09900	1.8
296.09262	0.1
544.51697	0.1
674.79700	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.96366	0.2
57.03458	0.6
57.19158	0.2
57.79891	0.2
58.74797	0.2
59.01379	100.0
60.01717	1.1
69.24799	1.5
71.01381	10.6
73.02945	3.9
83.01385	2.1
85.02947	5.1
87.00870	0.5
89.02444	3.5
95.01407	1.2
99.00887	1.3
101.02441	9.2
101.03095	0.5
110.56477	0.3
113.02444	5.0
119.03486	1.2
125.02415	0.6
129.01949	0.3
131.03535	0.3
143.03520	0.8
144.75175	0.3
159.02991	1.2
161.04552	4.7
170.66368	0.2
179.05672	1.4
179.41632	0.3
269.10321	10.7
270.10660	0.7
311.11383	8.3
312.11914	0.6
323.09897	0.9
329.13840	0.3
356.21097	0.3
387.20285	3.4
419.15225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
56.44481	1.6
57.03444	3.8
59.01378	100.0
61.98819	3.3
64.16636	1.6
66.21041	1.6
69.03448	2.7
69.15802	10.4
71.01383	73.6
72.99313	2.6
73.02946	26.2
75.00874	1.7
81.03442	2.1
83.01377	11.5
83.05035	7.0
85.02951	33.2
85.03468	2.5
87.00883	9.3
88.98791	2.7
89.02442	39.8
89.20711	1.7
95.01396	5.4
96.96004	3.9
97.02956	4.0
99.00890	7.1
101.02442	44.9
108.02213	2.1
109.02956	2.2
111.00880	2.7
112.41399	1.6
113.02451	34.3
119.03499	11.5
119.05064	1.7
125.02433	3.9
131.03503	6.6
132.77275	1.7
142.48175	1.7
143.03505	5.6
149.02475	2.4
149.04625	3.5
150.03215	2.2
152.07285	2.4
159.03026	5.0
161.04565	19.4
164.04825	2.6
167.03459	2.8
179.05643	16.3
186.13188	1.6
186.51886	2.5
191.05721	2.7
193.05020	1.8
221.06653	13.6
259.16852	3.2
263.07709	5.8
311.12820	3.7
315.19504	3.4
326.15219	5.6
367.10367	2.4
389.19693	5.3
472.01376	1.7
477.24982	4.5
486.89600	2.0
495.25818	3.1
519.26257	2.7
521.23920	4.2
537.27014	3.1
545.25879	2.6
551.25092	7.9
579.24097	1.8
583.27448	3.2
625.28650	4.0
627.30151	3.4
639.29901	12.2
657.31201	19.0
658.31793	2.9
669.31317	5.5
669.96552	2.0
675.26813	2.2
681.31274	6.5
682.32104	1.9
683.29199	51.3
684.29669	7.2
699.32068	11.5
700.32300	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03144	0.8
57.03448	1.7
58.24318	0.7
59.01377	7.3
61.98819	10.3
65.83235	0.8
69.37446	3.6
71.01385	1.7
73.02950	2.0
78.40220	0.8
84.88337	0.8
85.02937	2.2
94.58376	0.8
98.21916	1.5
101.02444	2.6
109.02926	0.9
121.06594	2.0
122.03737	2.1
132.02237	1.2
134.03770	1.3
135.04510	3.0
136.05293	43.7
137.05988	1.7
138.25887	1.0
147.08147	1.1
149.06071	9.2
150.03189	3.8
150.06854	2.4
160.01657	2.6
162.06876	3.8
163.07678	1.9
164.08444	5.1
165.05579	4.3
165.07767	1.0
165.09195	20.0
165.10477	1.6
166.09521	1.2
175.03993	4.2
193.05084	1.0
195.06676	1.1
261.05579	1.2
262.06293	1.2
263.07196	1.1
275.09384	0.9
279.06516	1.1
289.05087	2.2
307.05997	1.1
326.20270	0.9
329.23376	7.1
334.04797	1.9
335.05524	3.7
336.05856	1.0
341.10342	1.6
357.13455	1.1
363.05087	39.8
364.05386	7.0
416.29422	1.0
431.31567	1.2
434.30386	2.6
448.31873	1.3
449.32730	16.7
450.32779	1.4
476.31317	1.1
477.31952	2.7
494.32425	2.5
495.26263	1.8
495.33264	24.6
496.33719	2.7
547.25317	5.6
657.38818	2.0
699.39563	100.0
700.39899	17.4
743.29279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
58.00585	1.6
59.01378	100.0
61.98813	0.9
62.47646	0.6
69.35320	2.5
69.35724	1.0
71.01380	53.7
72.99290	2.1
73.02943	2.2
83.01355	1.8
85.02452	1.1
85.02945	12.1
87.00871	3.1
89.02444	67.4
90.02767	1.3
93.03448	1.1
95.00841	0.9
95.01374	4.2
96.96011	1.3
98.21857	1.5
98.42953	0.7
101.02448	23.1
106.89793	0.8
111.00878	1.0
113.02445	21.0
115.30917	0.7
116.92876	3.1
119.03505	24.9
121.02946	1.0
122.03719	1.5
131.03494	3.1
135.04536	1.3
136.01678	3.8
137.02458	1.3
143.03502	6.1
145.02882	1.3
146.03754	1.4
148.19147	0.8
149.02426	2.4
149.04538	2.7
150.03185	2.4
151.04028	4.1
161.04568	5.7
161.05774	1.2
162.03224	21.7
164.04739	1.0
165.05533	3.3
165.09123	0.9
166.02638	1.9
175.04039	1.0
177.05576	17.4
179.05626	16.6
181.05072	2.3
195.06572	3.6
246.65346	0.8
295.10846	0.8
306.45038	0.9
355.11819	0.9
386.13596	0.9
387.14359	4.1
476.66513	0.9
535.19794	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	64.3
69.18891	4.2
71.01382	38.3
72.99306	1.8
73.02945	2.9
78.84172	0.8
79.77087	1.1
80.57403	0.9
83.01389	1.4
85.02947	8.3
89.02448	42.4
93.03467	4.8
95.01395	2.6
96.96011	36.0
99.00830	1.0
101.02451	21.7
113.02451	15.4
119.03510	16.3
121.02967	6.1
122.03748	17.7
125.82452	0.9
127.18302	0.8
131.03513	1.5
133.02939	1.1
138.03264	1.4
143.03525	4.5
149.02464	20.6
149.04483	1.4
150.03233	100.0
151.03554	3.5
153.05554	1.9
160.05176	1.0
161.04509	6.8
164.04820	5.3
165.05573	88.8
166.05925	3.1
179.05614	18.0
180.04305	5.2
180.05728	0.9
184.61906	0.9
187.04251	1.0
195.06638	44.0
196.06929	2.8
203.07169	2.2
238.06223	1.3
287.09610	9.8
291.06381	1.2
294.05350	2.0
308.10526	1.0
309.07724	2.5
324.10013	3.3
339.12347	11.5
355.43555	1.0
357.13437	1.7
369.13504	9.6
370.13367	1.0
449.15826	1.8
452.97250	1.0
505.18649	3.5
517.18646	6.1
519.18604	2.2
529.17822	1.2
531.18750	5.9
532.18353	1.3
535.19733	25.1
536.20184	3.2
583.22168	1.1
679.23846	1.5
697.24982	29.9
698.25140	5.7
745.27026	23.0
746.27551	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03447	0.8
58.00594	0.9
59.01381	100.0
60.01722	0.9
69.12160	3.2
71.01384	53.9
72.01748	0.9
72.99323	1.7
73.02948	1.8
74.40144	0.5
79.95731	0.6
83.01418	1.6
85.02952	8.8
87.00884	2.6
89.02446	68.2
90.02788	0.8
93.03456	1.3
95.01402	3.3
96.96013	5.9
97.02953	0.6
98.21922	0.9
101.02449	28.8
110.20670	0.6
113.02455	21.7
119.03506	32.6
120.03836	0.5
121.02975	2.1
122.03756	4.9
125.02495	1.1
131.03522	4.4
136.01730	0.8
143.03513	5.8
149.02457	7.1
149.04460	2.6
150.03239	20.9
151.03789	0.7
161.04568	4.2
164.04865	1.1
165.05579	19.4
166.05914	0.9
173.61446	0.5
179.05618	12.8
179.07124	1.3
180.04301	1.2
195.06630	13.5
196.06927	0.6
240.07909	0.8
268.07471	1.0
268.82056	0.6
289.11176	7.5
289.14203	0.6
293.08261	0.6
296.07053	1.0
308.06976	1.2
309.07767	1.5
311.09290	1.0
322.08395	0.8
323.09232	2.3
324.09967	1.0
337.10858	0.7
338.11438	0.7
339.08725	9.4
340.09207	0.7
354.11044	2.8
355.11896	0.8
369.13440	18.5
370.13861	2.5
416.80054	0.7
517.18597	6.5
518.19214	0.9
535.20184	3.4
565.21674	0.8
679.95410	0.6
745.27704	1.5
746.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03451	1.3
58.00592	1.6
59.01378	100.0
60.01711	0.6
61.98825	0.5
69.41698	1.8
71.01381	52.7
71.33530	0.4
72.99314	1.7
73.02946	1.2
83.01395	1.9
85.02951	9.5
85.87526	0.4
87.00887	2.2
89.02443	62.5
90.02770	0.9
90.77353	0.5
93.97755	0.3
95.01405	3.0
95.33813	0.4
95.75163	0.5
96.95992	0.4
97.02959	0.4
97.83202	0.4
101.02444	22.2
106.64964	0.4
108.20509	0.4
113.02448	19.5
114.02737	0.4
116.92859	2.4
119.03499	24.8
121.02937	1.2
122.03736	0.8
125.02428	0.6
127.10720	0.4
131.03499	2.7
132.41615	0.5
135.04483	0.6
136.01674	1.9
137.02425	0.6
143.03508	4.6
146.03729	0.4
149.02444	2.0
149.04497	2.1
150.03206	3.1
151.03961	1.5
152.03593	0.4
160.05286	0.5
161.04532	5.3
162.03206	5.0
163.03957	0.8
164.04739	0.9
165.05585	3.6
166.02646	1.3
175.04019	0.8
177.05560	4.8
179.05609	18.1
179.07079	0.7
180.04221	0.4
181.05038	1.4
190.06339	0.8
193.04984	0.6
195.06631	3.2
217.00815	0.4
240.17140	0.4
255.06358	0.5
311.21332	0.5
386.13434	0.7
387.14444	2.6
535.19745	8.4
536.19501	1.2
565.20618	0.9
583.05786	0.5
675.39453	0.5
745.22333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.19102	0.5
60.01713	0.6
61.98842	1.6
69.07625	2.3
71.01393	0.5
75.00871	1.5
77.58713	0.4
85.02940	0.7
85.79986	0.4
88.98791	2.5
89.02419	0.6
98.21789	0.7
103.00444	13.6
103.01495	69.4
104.01817	0.5
116.92870	1.0
141.49222	0.4
150.03195	0.5
174.18921	0.5
206.97563	0.5
217.40829	0.4
290.05579	0.6
305.08130	0.5
319.06003	0.8
379.08246	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41169	0.4
59.01377	100.0
60.01726	0.4
60.99306	0.6
61.98825	0.8
69.48554	1.7
71.01383	0.5
75.00871	1.2
85.02966	0.9
86.96039	0.5
88.98793	2.6
96.96023	0.5
98.21808	0.6
101.02415	0.5
103.00447	11.9
103.01490	67.0
104.01862	0.4
110.17088	0.4
115.50072	0.5
125.02470	0.5
138.15454	0.4
150.03296	0.4
156.87575	0.4
220.05406	0.4
240.16893	0.5
263.71933	0.5
290.05640	0.6
311.88718	0.4
319.05942	0.7
364.05566	0.4
379.04315	0.5
379.08264	6.8
499.28870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01720	1.2
61.98833	1.3
69.73874	1.2
70.46470	2.3
78.95897	1.5
96.95969	1.1
101.33884	0.9
230.95467	1.2
290.35907	1.1
453.01892	1.2
455.17340	3.6
473.18314	5.5
483.12952	1.6
496.13458	2.3
511.15689	1.2
512.13416	10.7
513.13428	1.2
526.15186	10.9
527.15485	3.2
569.16534	1.4
599.18573	1.4
600.18811	2.2
601.19324	1.9
613.19586	2.8
614.20142	72.0
615.20313	16.9
632.18164	1.2
646.19128	1.5
687.23065	3.4
747.25214	50.9
748.25769	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	89.7
59.19598	2.4
61.98822	7.3
68.06430	2.9
88.98831	4.5
89.02438	5.8
92.92796	30.2
116.92898	3.4
135.52940	2.7
174.99387	2.8
190.43611	2.4
216.65637	2.3
291.31833	2.4
293.03391	2.7
452.14975	4.2
469.18909	6.7
481.14322	3.2
495.17075	14.5
497.22040	7.4
499.16306	7.1
512.13086	3.9
523.16199	16.2
524.16357	5.2
526.14722	22.6
527.15619	9.2
539.15137	3.1
541.20673	10.1
554.14813	4.0
555.14966	3.1
569.16937	15.3
570.14551	7.8
573.19867	3.7
586.17084	5.0
596.10443	4.0
596.19183	46.1
597.19812	50.8
598.20135	7.5
599.20563	2.6
600.21692	3.7
601.23181	70.5
602.23169	12.6
612.18585	58.7
613.18713	16.3
614.20428	16.0
615.20306	3.3
627.21088	20.8
628.19067	10.9
631.24115	22.6
632.22534	8.5
655.20386	70.5
656.21259	13.1
657.22015	8.9
672.20740	100.0
672.32208	5.2
673.20825	15.0
687.23206	36.3
688.23291	11.7
729.64142	2.7
747.25110	17.4
748.25372	3.7
767.35651	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84127	0.3
55.01860	0.8
57.03435	1.2
59.01378	28.7
61.98809	1.4
69.03455	0.5
69.15054	2.4
71.01377	14.0
71.35406	0.4
72.04185	0.4
72.99297	1.4
73.02944	7.4
77.53038	0.4
83.01370	2.3
83.41290	0.4
85.02950	7.3
87.00873	0.9
89.02455	2.7
95.01388	1.5
96.96005	2.5
97.02942	1.1
99.00865	2.1
99.04508	0.8
99.36388	0.4
101.02436	9.5
109.02943	0.4
111.00927	0.4
113.02438	6.6
119.03537	0.9
125.02456	0.9
129.01921	1.0
131.03409	0.5
143.03464	0.7
144.71199	0.4
149.04460	0.5
161.04552	1.8
211.13225	0.5
229.14359	0.9
235.17020	8.1
235.19191	0.8
249.65109	0.4
251.16499	3.4
257.27756	0.4
379.08099	0.5
395.20844	3.0
413.21829	9.9
414.21933	0.6
437.21869	1.6
455.22839	100.0
456.23151	7.7
475.38367	0.4
497.23615	2.0
747.32550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
61.98807	2.2
63.38700	1.2
69.00949	6.0
71.01373	5.8
85.02940	4.2
89.02467	2.9
93.03448	4.2
96.96001	5.1
98.21877	3.2
101.02455	2.0
107.10658	1.1
107.51566	1.3
109.02959	3.7
110.74688	1.3
113.02470	2.5
119.38324	1.1
121.02945	13.4
122.03735	14.8
123.04551	1.9
132.02122	1.9
133.02965	3.7
134.03728	2.0
135.04515	4.9
138.11092	1.3
147.04529	2.1
149.02458	24.1
149.06102	1.5
150.03226	99.1
151.03845	2.7
159.04422	1.2
160.05286	2.6
163.03999	5.3
164.04797	8.8
165.05562	100.0
166.05960	3.9
175.03998	4.5
175.07610	3.6
176.04807	1.8
177.05569	3.5
179.03612	1.4
179.07159	1.9
180.04266	8.4
181.05008	1.8
188.04730	2.1
188.93593	1.3
189.05565	2.4
190.06380	8.8
191.05600	1.3
191.07175	6.5
193.04974	3.0
194.05814	3.3
195.06619	48.3
205.08711	8.1
207.06573	2.6
208.07404	12.3
222.09030	2.3
229.14453	5.8
275.45657	1.4
289.40979	1.2
345.13556	2.7
347.27567	1.3
352.32416	1.4
357.13406	2.2
359.14981	50.3
360.15186	1.7
366.47211	1.4
389.15982	5.6
507.20120	5.5
537.21252	49.8
538.21252	3.2
555.22369	9.3
567.21631	2.0
585.23395	60.9
586.23657	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.1
61.98817	2.0
65.46714	0.9
69.28348	3.7
71.01390	6.4
85.02939	3.4
88.37605	0.9
89.02440	6.9
93.03452	4.5
95.01443	1.2
96.95985	8.3
101.02440	3.8
108.02138	1.2
108.26187	1.0
109.02953	4.3
113.02445	3.0
119.03497	3.0
121.02968	10.6
122.03753	14.1
132.02165	1.8
133.02954	3.9
134.03725	2.3
135.04520	4.9
136.01630	2.8
137.02434	1.9
147.04517	2.5
149.02438	30.2
149.06033	5.2
150.03221	100.0
151.03647	2.0
163.03972	5.6
164.04774	7.1
165.05563	85.4
166.05920	2.5
174.42628	0.9
175.03969	5.3
176.04697	1.7
177.05571	3.9
179.03508	1.8
179.05566	1.5
180.04300	7.7
189.05579	2.9
190.06316	8.4
191.07114	6.5
193.05006	2.3
194.05841	4.2
195.06615	36.4
196.07066	1.0
203.07146	1.6
205.08681	9.3
207.06624	3.3
208.07391	12.7
222.08929	5.2
289.11176	2.0
312.13358	1.0
344.12671	1.7
345.13293	5.1
353.14020	1.2
357.13489	2.7
358.14102	1.9
359.14981	47.3
360.15152	2.2
387.14337	1.2
387.94733	1.2
389.16037	7.3
479.58026	1.0
507.20349	7.0
508.20767	1.1
522.19141	1.7
537.21271	71.4
538.21674	6.8
566.06836	1.0
567.22168	2.3
585.23352	69.0
586.23688	8.4
699.26727	2.8
747.29181	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03053	2.0
59.01379	35.5
59.73645	2.1
61.98845	2.3
69.32028	11.9
71.01384	22.3
71.05023	17.0
73.02953	4.8
78.07987	2.1
85.02972	4.1
87.00890	6.9
89.02448	21.4
97.02943	4.4
97.06591	7.5
101.02464	16.5
113.02439	7.9
119.03498	4.8
125.02410	5.5
143.03439	4.1
179.05623	5.2
207.13986	2.8
219.41644	2.0
235.08195	7.6
291.19666	100.0
292.19849	5.6
397.13467	71.1
415.14651	28.2
426.26770	2.5
431.88190	2.4
689.33899	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
56.74339	0.9
57.03441	3.4
59.01380	100.0
61.98820	4.6
69.03423	2.7
69.16410	0.9
70.28409	1.8
70.89929	1.1
71.01381	40.4
71.01781	2.0
72.99330	1.2
73.02943	10.3
80.29480	0.9
83.01385	6.2
85.02944	20.4
86.03285	1.2
87.00876	5.9
87.04523	1.4
89.02450	14.2
90.72385	0.9
93.03462	1.5
95.01373	5.5
96.95996	4.8
97.02940	4.2
99.00880	3.9
101.02447	21.0
101.06067	1.1
108.02192	1.6
111.00874	1.8
113.02444	29.0
116.38155	0.9
119.03484	3.7
121.02953	3.4
122.03734	5.3
124.01653	2.4
125.02444	10.1
126.10041	1.1
133.02963	1.6
136.01674	1.4
143.03523	6.0
143.04451	1.1
143.28896	1.0
147.04523	1.9
149.02415	6.8
150.03233	28.4
161.04588	6.4
161.05766	1.6
161.13657	1.0
164.04828	2.7
165.05560	25.5
166.05858	1.1
167.03510	1.1
173.05942	1.2
175.04045	1.4
175.07625	1.2
177.01906	1.3
178.06383	1.1
179.05608	2.0
180.04292	1.7
195.06604	17.0
227.23595	1.0
240.01685	1.2
297.20569	1.1
329.13895	5.0
341.10297	1.1
343.11920	1.7
399.23801	6.7
417.24753	4.6
424.92691	1.0
477.19107	2.1
495.26071	1.5
507.20178	3.4
511.34973	1.1
543.28052	32.8
544.28461	2.7
555.22302	2.4
561.29089	60.8
562.29297	5.6
579.30188	15.6
580.30054	1.6
603.30212	19.3
604.30621	2.7
621.31128	23.6
621.92822	1.2
622.31311	2.4
655.25446	1.3
663.32043	1.9
703.27368	1.5
751.30432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
56.74339	0.9
57.03441	3.4
59.01380	100.0
61.98820	4.6
69.03423	2.7
69.16410	0.9
70.28409	1.8
70.89929	1.1
71.01381	40.4
71.01781	2.0
72.99330	1.2
73.02943	10.3
80.29480	0.9
83.01385	6.2
85.02944	20.4
86.03285	1.2
87.00876	5.9
87.04523	1.4
89.02450	14.2
90.72385	0.9
93.03462	1.5
95.01373	5.5
96.95996	4.8
97.02940	4.2
99.00880	3.9
101.02447	21.0
101.06067	1.1
108.02192	1.6
111.00874	1.8
113.02444	29.0
116.38155	0.9
119.03484	3.7
121.02953	3.4
122.03734	5.3
124.01653	2.4
125.02444	10.1
126.10041	1.1
133.02963	1.6
136.01674	1.4
143.03523	6.0
143.04451	1.1
143.28896	1.0
147.04523	1.9
149.02415	6.8
150.03233	28.4
161.04588	6.4
161.05766	1.6
161.13657	1.0
164.04828	2.7
165.05560	25.5
166.05858	1.1
167.03510	1.1
173.05942	1.2
175.04045	1.4
175.07625	1.2
177.01906	1.3
178.06383	1.1
179.05608	2.0
180.04292	1.7
195.06604	17.0
227.23595	1.0
240.01685	1.2
297.20569	1.1
329.13895	5.0
341.10297	1.1
343.11920	1.7
399.23801	6.7
417.24753	4.6
424.92691	1.0
477.19107	2.1
495.26071	1.5
507.20178	3.4
511.34973	1.1
543.28052	32.8
544.28461	2.7
555.22302	2.4
561.29089	60.8
562.29297	5.6
579.30188	15.6
580.30054	1.6
603.30212	19.3
604.30621	2.7
621.31128	23.6
621.92822	1.2
622.31311	2.4
655.25446	1.3
663.32043	1.9
703.27368	1.5
751.30432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.26009	0.2
61.98805	0.6
69.03487	0.2
69.71819	0.5
69.72198	0.4
71.01371	1.4
72.94398	0.2
72.99306	4.6
73.99663	0.3
75.00870	100.0
76.01218	0.5
85.02952	0.4
87.00906	0.3
89.02430	1.1
97.02940	0.4
100.77905	0.2
101.02466	1.0
109.23616	0.2
113.02445	1.1
116.92976	0.2
119.03493	0.3
125.02465	0.5
141.01936	0.5
143.03473	0.4
147.23906	0.2
161.04552	0.3
179.05667	0.5
235.08154	0.5
256.98810	0.2
277.21738	3.7
278.22055	0.3
305.08847	0.3
321.08224	1.2
397.13507	7.5
398.13589	0.5
405.92578	0.3
415.14651	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45792	3.2
58.31527	2.9
59.01374	47.1
61.98835	21.7
71.01373	24.8
71.44544	2.9
73.02934	3.8
79.62851	3.3
79.82825	2.9
83.01340	2.9
85.02940	8.6
86.10464	3.2
87.00882	6.6
89.02438	18.3
99.00915	4.0
101.02433	21.5
113.02441	8.0
119.03481	7.9
126.19744	2.8
179.05663	4.0
235.08252	12.9
235.17009	27.3
275.20178	43.1
293.21237	100.0
294.21542	8.2
311.89249	3.2
397.13507	83.3
398.13794	4.3
415.14615	47.2
576.35059	6.1
622.40601	3.4
717.08136	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56625	0.4
59.01375	0.9
70.67573	0.8
71.01386	1.0
72.81692	0.4
73.02948	0.8
79.95740	15.9
80.96513	1.7
85.02935	0.8
94.33289	0.4
95.95234	9.0
96.96012	100.0
101.02459	1.7
108.66144	0.6
122.97548	1.2
138.97060	1.1
150.97067	1.7
152.98640	5.8
180.98135	3.3
225.00737	2.9
241.00238	21.4
259.08994	0.6
271.01306	0.9
302.92419	0.5
319.05997	0.9
343.03534	0.5
373.04465	12.3
379.08078	0.7
567.20770	0.6
753.13416	41.8
754.13727	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2244
Annotation	3,6'-Disinapoyl sucrose
Peak:m/z	Relative Intensity
59.01377	2.1
60.60363	0.2
65.00324	0.4
69.50288	0.2
70.07644	0.5
71.01382	1.9
73.02939	0.5
83.01385	0.3
85.02949	0.8
87.00883	0.9
89.02435	1.2
91.01887	2.2
93.03465	0.8
96.42960	0.2
96.96011	7.6
98.95597	0.8
101.02459	1.0
113.02459	1.2
119.01378	6.7
119.04975	0.2
120.01717	0.2
121.02964	1.7
134.03741	0.4
135.04527	0.5
147.00891	4.4
147.04539	0.5
149.02437	10.2
150.03096	0.7
161.02417	0.4
162.03250	0.4
163.03986	0.9
164.04794	8.4
165.01979	1.6
166.02502	0.3
175.00359	35.7
176.00877	1.4
177.01912	0.5
177.05443	0.3
179.07059	1.2
189.01932	1.2
190.02715	77.7
191.03183	3.2
193.01489	0.6
203.17340	0.2
205.05051	100.0
206.05424	5.2
207.03023	0.5
207.06560	0.3
208.03708	1.2
209.04547	0.5
221.08138	1.3
223.06108	11.5
224.06503	0.4
237.07713	0.5
250.04976	0.3
265.07214	3.2
287.09531	1.2
295.08176	1.0
303.09061	0.5
323.09845	0.2
325.09384	1.3
349.09354	0.3
352.08133	0.3
353.08551	0.2
367.10312	3.2
368.10413	0.4
385.11285	0.8
529.15680	5.8
530.15906	0.5
547.16669	16.0
548.16949	1.5
628.31671	0.3
724.54718	0.2
742.20782	0.3
753.22357	9.7
753.35889	0.5
754.22290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11957	0.4
57.03436	1.2
59.01376	4.3
60.99288	1.9
64.50948	0.4
67.01891	6.4
67.02236	0.7
69.03447	1.5
71.01376	3.9
72.37125	0.4
73.02969	0.4
79.01909	0.4
81.03455	1.5
83.05026	1.0
84.35043	0.4
85.02943	5.2
87.00883	6.2
89.03980	0.6
93.03455	45.2
94.03798	1.0
96.95960	0.4
99.00871	0.8
99.04515	0.8
101.02469	0.7
109.02949	1.3
111.00922	0.6
111.04509	6.6
113.02442	1.0
117.03455	1.6
127.03985	1.4
129.01952	0.6
134.03741	22.1
136.01678	0.9
137.02472	3.0
149.06065	1.7
151.03995	1.3
154.06210	5.6
155.03513	3.4
155.06531	0.5
160.01599	0.7
166.02711	0.7
173.04544	80.9
174.04840	2.3
174.76163	0.4
175.03958	0.9
181.05057	1.0
191.05603	100.0
192.05963	3.3
193.03258	0.8
193.05048	15.3
194.05414	0.8
199.11011	0.4
367.10303	70.1
368.10635	5.7
387.14621	2.8
388.14465	0.5
392.79770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2042
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.32229	0.8
59.01378	2.4
65.00311	1.3
69.49054	3.2
76.11981	0.9
77.32465	0.7
79.47562	0.7
82.27177	0.8
107.01408	2.7
124.09462	0.8
145.02966	1.1
151.00369	10.6
155.05037	1.5
167.76433	0.8
178.99817	2.6
183.04532	2.2
185.02388	1.2
187.04016	1.5
199.04001	8.1
201.01930	1.4
211.04068	1.0
215.03503	2.3
227.03511	8.7
242.02173	4.6
243.02975	38.3
244.03421	2.4
254.02058	1.0
255.02986	15.3
257.04514	4.6
270.01727	5.2
271.02481	48.4
272.02957	4.6
285.04065	8.8
286.04788	4.3
287.05576	1.9
299.01974	91.2
300.02631	19.1
313.03445	2.0
314.04330	83.7
315.05045	33.5
316.05347	2.4
755.20386	100.0
756.20825	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72561	2.9
59.01355	5.1
65.00339	7.7
69.28175	15.6
71.80938	2.3
72.98945	2.4
85.50457	2.9
91.44003	2.7
93.03442	2.7
96.96031	4.4
97.85428	3.2
98.21793	3.0
106.27501	3.0
109.02934	4.4
121.02987	19.0
199.03929	3.6
203.03589	3.1
209.11810	11.6
227.12801	3.8
253.09747	3.5
259.09851	2.9
271.02499	33.3
273.11301	7.8
287.12970	3.6
287.38153	3.7
299.01941	48.9
299.09247	5.5
300.02676	17.0
309.20557	5.3
317.10214	9.9
325.03638	4.0
386.19830	3.3
399.21640	4.0
423.15912	16.1
443.15256	3.2
443.20676	17.1
462.08182	23.2
467.13385	18.7
471.20120	4.9
575.22681	4.0
592.23187	3.9
593.23920	58.2
594.24023	7.8
755.29193	100.0
756.29681	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
61.98823	0.6
69.06638	1.5
69.07064	1.2
71.01368	1.0
72.10745	0.4
77.62675	0.4
79.95734	0.5
84.93861	1.4
85.02942	0.5
96.95370	0.7
96.96003	16.1
98.95585	8.6
98.96432	1.1
99.92579	19.2
100.92667	0.7
100.93349	6.7
100.93965	0.6
115.92075	12.9
116.92855	100.0
117.92861	3.9
117.93622	0.7
126.19201	0.4
128.92839	0.5
140.92850	0.7
141.93622	1.3
142.94420	2.5
156.92323	0.7
158.93947	0.7
169.64471	0.4
170.93944	0.8
173.92615	0.7
174.93387	0.5
184.91858	3.4
184.95451	0.8
186.93410	0.5
212.94997	0.5
224.94977	0.5
242.95967	2.0
243.96811	0.7
255.71443	0.4
284.97040	0.5
307.05923	0.4
308.10339	0.4
329.96814	0.4
337.10703	0.6
653.06061	1.8
662.30884	0.5
671.07471	1.1
695.06970	1.1
696.08081	0.4
713.08264	1.7
713.42157	2.0
714.08667	0.6
721.04993	0.9
757.07068	6.1
758.07507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
56.01272	1.0
57.03445	16.2
59.01375	3.9
69.37453	3.5
71.01387	4.1
72.99315	1.3
74.65829	1.1
75.00883	7.2
81.29665	1.0
83.01398	3.2
84.02164	1.1
85.02950	100.0
86.03281	1.8
87.00864	2.3
89.00332	1.2
106.00607	1.8
110.39947	1.1
111.00882	8.0
121.02956	22.2
123.00916	2.1
127.00331	1.3
129.01942	86.3
130.02277	1.7
134.66470	1.1
138.03238	3.3
145.52654	1.2
147.02992	18.8
148.01898	1.1
149.02419	10.7
151.61798	0.9
153.05573	17.0
163.04002	1.5
164.04779	10.3
166.99915	1.3
173.00899	33.1
179.07158	3.3
182.02187	2.8
187.81334	1.1
190.02718	2.4
191.01971	15.1
191.03520	3.1
193.01433	1.7
196.77184	1.1
197.04544	40.6
198.04900	1.7
205.05055	3.4
208.03806	4.5
215.92339	1.0
223.06113	16.8
228.47867	1.0
237.07741	1.5
265.07187	8.4
291.08856	1.3
327.07184	13.1
328.07559	1.3
333.27731	1.3
353.08636	2.9
371.06165	13.7
515.14056	11.4
559.12823	2.1
577.14056	2.1
623.78333	1.1
763.03668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03447	18.8
59.01379	4.0
67.01890	1.1
69.57105	3.4
71.01376	6.9
72.99303	2.1
74.81302	0.9
75.00875	9.7
81.60415	0.9
83.01385	1.7
84.02192	1.8
85.02948	78.4
87.00886	2.0
89.00352	1.2
89.02378	1.0
92.39117	0.9
99.00899	1.1
101.02438	3.5
106.00649	0.9
111.00872	5.6
117.76797	1.0
119.10874	0.9
121.02958	24.4
123.00857	1.9
129.01942	100.0
130.02315	1.4
133.99420	1.1
136.53336	0.9
137.02489	1.1
138.03215	3.9
147.02998	15.8
149.02446	6.6
153.05562	16.3
157.76170	1.1
162.33182	0.9
162.70886	1.1
163.04002	2.0
163.06088	2.3
164.04767	5.7
173.00903	45.4
174.01494	0.9
176.01118	2.6
179.07092	1.6
182.02188	2.2
190.02788	4.7
191.01956	11.7
191.03540	3.4
193.01399	2.0
193.05072	2.1
197.04536	38.2
198.04898	1.9
205.05034	5.9
206.05954	1.1
208.03751	3.4
223.06088	10.4
237.07562	1.1
265.07153	3.8
283.02048	1.1
287.20230	1.2
291.08627	1.4
327.07205	8.6
343.11752	1.3
353.08801	2.7
371.06177	15.4
372.06216	1.1
385.11493	1.5
410.39059	1.1
453.13672	1.3
474.92636	1.1
515.13965	8.8
559.12579	1.3
595.15796	1.5
612.39563	1.0
672.42383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
57.03451	14.1
59.01368	4.4
66.26870	0.7
67.01863	0.8
68.50620	0.7
70.08007	1.9
71.01380	6.2
72.99302	2.4
73.02956	1.0
75.00867	5.2
78.01141	0.8
83.01387	2.4
84.02166	2.0
85.02949	100.0
86.03297	1.8
87.00857	1.9
89.00317	0.8
95.01375	1.0
95.02473	0.8
98.21907	0.8
101.02444	0.8
106.00563	0.9
111.00868	6.0
113.03587	1.6
113.94318	0.8
121.02959	15.2
123.00866	1.9
127.00419	1.0
129.01941	65.5
131.04640	3.6
134.71613	0.7
138.03212	3.1
139.00328	0.8
147.02992	24.6
149.02422	7.0
153.05569	13.1
154.99745	0.9
163.03979	1.5
164.04797	9.4
165.05496	0.8
166.02570	0.9
172.99382	1.5
173.00906	29.2
179.07103	3.2
180.84836	0.7
182.02155	2.7
190.02731	2.4
191.01956	9.5
191.03499	2.9
193.01352	1.8
197.04552	25.0
205.05055	4.3
208.03764	5.9
222.05281	1.5
223.06105	20.5
224.06383	0.9
265.07251	6.6
291.08786	1.0
327.07208	20.6
328.07425	1.1
335.94165	0.8
353.08698	3.4
355.96198	1.0
371.06213	11.3
385.11304	2.5
439.19427	1.0
515.14093	11.5
516.14594	1.0
559.12952	2.4
577.13568	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03449	18.9
59.01370	4.1
61.84503	1.0
64.10922	1.2
67.01889	1.7
67.19296	1.0
71.01380	6.8
72.99297	2.6
75.00860	7.1
78.01069	1.1
83.01387	3.6
84.84192	1.1
85.02949	100.0
86.03267	1.9
87.00867	2.6
89.00349	1.5
101.02380	1.2
106.00590	2.6
111.00897	7.6
121.02958	27.7
123.00877	3.6
129.01945	85.8
130.02299	1.8
131.04599	4.1
135.04581	1.7
138.03224	5.0
146.08453	1.2
147.03000	19.5
149.02452	10.1
151.00351	1.3
153.05576	16.2
163.04034	2.0
164.04773	10.4
173.00912	33.6
176.01157	1.4
178.06346	1.3
179.07103	2.8
182.02191	3.7
190.02721	3.0
191.01930	10.9
191.03508	4.5
193.01399	3.5
197.04541	47.3
198.04855	2.1
205.05052	4.3
208.03777	6.2
222.05312	1.6
223.06093	19.0
237.07674	1.4
243.02852	1.8
265.07193	5.4
271.02509	10.7
291.08725	2.1
299.01938	22.5
300.02576	4.9
301.03430	1.7
327.07230	17.4
353.08682	3.2
371.06104	16.4
385.11090	1.6
453.14200	1.6
462.07938	3.9
463.08783	1.5
515.13885	10.1
559.12872	2.4
595.12756	2.9
757.18378	13.0
758.17383	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11649	0.6
59.01377	100.0
75.00847	0.9
92.60276	0.6
102.95724	1.9
103.00504	5.4
103.01493	77.8
109.39431	0.7
126.99816	0.7
130.12666	0.9
132.89517	0.7
221.80911	0.6
228.95033	0.6
245.31334	0.7
297.51758	0.6
311.16946	0.8
400.53683	0.8
756.60254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80627	0.4
59.01379	5.3
60.01712	0.5
60.14521	0.4
61.98821	1.2
71.01382	2.5
71.43563	0.6
73.02944	0.5
85.02954	0.8
89.02438	2.0
92.68108	0.4
93.03461	0.6
96.95992	2.2
101.02460	1.2
121.20198	0.4
135.04506	0.5
149.04530	0.4
163.06136	0.6
165.05531	0.6
224.31525	0.4
233.06065	0.5
246.06912	0.5
247.04005	2.3
248.08357	1.4
249.05743	0.6
249.09203	1.7
258.03247	0.7
260.04739	1.4
261.05496	2.6
262.06262	1.6
273.05569	2.8
274.06009	0.6
275.03537	5.0
275.06824	1.0
276.04218	3.1
276.07703	0.9
277.05148	2.1
277.08621	1.6
288.04282	0.7
289.05075	11.6
290.05823	11.2
291.06555	5.1
292.07300	1.4
293.07986	0.5
302.05765	0.7
304.03757	9.1
304.07385	5.3
305.04443	5.4
305.08124	2.8
306.08829	1.1
308.06705	0.9
319.06094	22.5
320.06625	4.7
327.09030	3.6
334.08264	3.1
335.09158	1.1
336.06622	0.5
364.05847	5.6
365.06387	0.7
366.07318	3.6
379.08194	100.0
380.08514	12.4
463.10196	0.6
673.17633	1.4
715.18567	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
59.95384	0.5
61.98835	0.5
75.90639	0.4
82.95422	0.8
84.95120	3.9
85.00439	11.8
90.41238	0.4
103.76543	0.4
103.77257	0.4
169.84583	0.5
178.70650	0.5
211.58452	0.5
217.00293	1.0
232.05357	0.6
245.06097	0.6
247.04065	3.0
248.08423	2.2
249.05513	0.9
249.09187	1.6
258.03192	1.0
260.04749	2.7
261.05569	4.9
262.06314	1.8
263.07062	1.1
273.05597	2.4
274.06161	1.2
275.03485	6.4
275.06747	1.0
276.04224	4.2
276.07501	0.8
277.04977	2.3
277.08658	1.6
288.04227	0.7
289.05081	14.6
290.05856	11.9
291.06573	5.4
292.07318	2.0
302.05469	0.6
304.03775	13.4
304.07410	5.2
305.04486	7.1
305.08151	3.3
306.05045	0.6
306.08893	0.8
308.06903	1.0
319.06116	28.4
320.06546	4.8
321.07254	0.6
334.08371	2.5
335.09134	0.7
338.08063	0.7
363.05295	0.9
364.05862	5.4
365.06207	0.9
366.07349	3.6
379.08224	100.0
380.08533	9.6
677.96674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08781	0.5
59.01379	100.0
60.01705	0.8
61.98827	1.6
78.95921	0.9
103.01498	76.1
182.92604	0.5
265.44952	0.5
277.21646	1.4
305.45978	0.5
305.49997	0.5
361.18137	0.5
418.88696	0.5
428.33902	0.6
445.23450	1.0
474.37344	0.6
483.63678	0.6
496.13467	0.8
511.15662	0.5
513.17444	0.7
566.20972	0.5
567.18811	0.9
571.17902	1.5
599.21149	1.8
657.22064	0.8
717.23999	3.8
718.24261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
59.01379	20.2
61.98828	12.6
62.01950	0.9
67.01897	2.0
69.35101	1.6
69.35503	4.2
71.01381	13.7
72.47880	0.9
72.99303	2.6
75.00868	5.1
78.52380	1.1
83.01376	3.7
85.02940	12.4
87.00877	1.4
89.02441	8.9
95.01390	4.0
96.96052	1.6
97.02938	1.2
99.00887	6.0
111.00883	7.2
112.01645	0.9
113.02444	9.5
131.03476	1.0
135.19670	0.9
139.00356	3.9
149.44643	0.9
157.01381	1.3
216.85603	1.0
261.66833	1.0
365.26840	2.1
430.60703	0.9
437.34186	1.7
453.33582	2.8
454.87064	0.9
455.35327	6.9
483.34766	2.6
523.38330	1.3
551.37341	4.9
569.39142	2.6
763.42719	100.0
764.43158	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
60.99305	16.9
61.98838	1.7
63.96601	0.3
67.24677	0.3
70.51259	0.4
71.01380	1.0
85.00433	1.5
87.00874	6.5
88.00420	1.6
88.01209	0.8
88.98807	100.0
89.02442	81.8
89.99136	0.5
90.02779	0.8
101.02427	0.7
102.03154	0.4
103.01591	0.4
113.02453	0.4
145.06226	0.4
193.61679	0.4
277.21732	3.0
278.21951	0.5
397.13474	5.9
415.14484	1.7
433.40109	0.4
555.96057	0.4
604.10718	0.4
624.94141	0.5
765.24640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54145	0.4
58.82737	0.5
59.01381	1.0
60.99306	18.0
61.98816	1.5
69.10437	2.7
71.01378	0.8
87.00887	3.6
88.00400	2.0
88.98806	100.0
89.02443	50.5
89.99120	0.8
101.02465	0.4
154.90047	0.5
156.76416	0.4
277.21722	1.5
373.65265	0.6
397.13492	3.5
415.14722	0.7
424.98526	0.5
765.24060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55288	0.3
59.01377	2.0
60.99307	16.7
61.98821	1.0
62.88916	0.2
71.01370	1.5
80.27100	0.3
85.00429	2.0
87.00874	7.0
88.00410	1.7
88.01208	0.5
88.98808	91.5
89.02442	100.0
89.99131	1.0
90.02767	1.4
97.02934	0.3
98.22784	0.5
101.02456	0.8
106.50788	0.3
113.02477	0.5
119.03516	0.3
124.79414	0.3
125.02406	0.2
138.33609	0.2
148.90962	0.7
179.05667	0.3
235.08311	0.6
277.21722	3.1
278.22086	0.6
305.08890	0.3
306.54453	0.3
379.50879	0.3
397.13516	6.6
398.13846	0.6
410.03897	0.3
415.14468	2.5
675.35834	0.4
749.61438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
60.99303	16.3
71.01380	0.6
76.06918	0.2
83.05016	0.3
85.02946	0.4
87.00874	2.3
88.00406	1.0
88.01212	0.3
88.98803	100.0
89.02440	11.5
89.99141	0.7
101.02439	0.5
113.80575	0.2
134.03714	0.2
154.56883	0.2
191.05478	0.3
638.52881	0.2
677.49579	1.5
678.49951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
68.89665	0.2
69.12222	0.2
71.01382	2.8
71.66888	0.2
73.02942	0.5
83.01392	0.4
85.02949	0.9
89.02447	1.3
93.03454	1.1
96.96007	0.3
99.00867	0.3
101.02429	1.1
101.75541	0.2
108.02161	0.3
109.02946	3.1
113.02450	1.4
113.91989	0.2
119.03507	0.5
121.02950	7.8
122.02886	0.5
122.03740	9.6
123.04514	1.1
124.01673	0.4
134.03741	0.6
135.04527	0.8
136.05281	0.8
137.02440	0.4
138.06837	0.3
143.04634	0.2
147.04510	3.1
148.05228	0.3
149.02461	0.3
149.06055	0.7
152.08398	0.5
153.09212	2.0
154.02678	0.4
154.06169	1.4
160.05241	0.3
161.04564	1.2
161.06070	0.9
163.40672	0.2
164.04814	0.4
165.05566	14.6
166.05902	0.2
173.04572	0.4
173.06036	0.3
176.08223	0.3
178.06308	0.5
179.05630	0.7
179.07109	5.5
191.05594	0.6
191.07269	0.3
192.05847	0.3
205.12393	1.0
209.08163	0.5
223.06099	0.6
223.09749	0.8
223.13412	0.9
225.11308	4.6
285.04175	0.3
298.11920	0.3
300.02673	0.5
306.07635	0.7
307.07880	0.3
313.14459	0.9
315.12430	1.9
316.13034	0.4
331.15259	0.3
346.14203	7.7
347.14743	0.5
361.16537	100.0
362.16867	5.2
385.11139	0.6
385.18829	2.4
492.05576	0.3
505.20633	2.3
523.21887	3.4
524.21912	0.3
565.13947	0.5
565.22845	9.6
566.23047	0.7
581.23517	0.3
627.62518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71421	0.3
56.24334	0.3
59.01387	0.4
61.98817	1.0
67.03236	0.3
70.71793	0.4
71.01376	0.4
78.52914	0.3
78.95888	1.4
79.95726	4.0
84.04500	0.3
91.77263	0.3
94.98088	0.7
96.00909	1.0
96.96009	100.0
97.95963	0.3
98.02473	0.8
118.96627	0.4
120.19828	0.3
138.93372	0.2
164.05357	0.3
184.95299	0.3
277.21725	0.8
308.17752	0.3
397.13498	0.5
407.17731	0.6
435.08078	1.4
453.09613	2.0
487.64627	0.3
536.24030	0.3
713.30273	2.3
730.27917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.2
61.98821	0.8
67.86848	0.2
69.98363	0.2
71.01354	0.3
78.95907	1.3
79.95740	3.1
82.22121	0.2
89.43153	0.2
94.92517	0.4
94.98110	0.3
96.00922	0.3
96.92213	0.6
96.96011	100.0
117.97661	0.2
120.87749	0.2
173.53438	0.2
268.40768	0.2
277.21649	0.5
361.04462	0.3
397.13327	0.4
407.17648	0.3
415.14581	0.3
435.08072	0.8
453.09348	1.4
570.02289	0.2
604.22150	0.3
713.30737	1.8
714.31189	0.4
726.91119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2084
Annotation	Patavine
Peak:m/z	Relative Intensity
57.26514	0.0
59.01117	0.1
59.01375	1.0
69.30656	0.1
71.01072	0.0
71.01386	0.6
85.02945	0.1
87.00883	0.1
89.02435	0.5
101.02426	0.1
113.02421	0.1
122.68172	0.0
131.03497	0.1
138.80759	0.0
149.04460	0.1
149.07358	0.0
167.34669	0.0
181.06621	0.1
191.05139	0.1
204.05956	0.1
206.07240	0.1
209.05907	0.1
216.05815	0.1
217.06799	0.0
219.04488	0.6
219.08130	0.1
221.06055	0.2
230.03870	0.1
231.04607	0.1
231.08319	0.1
232.05203	0.4
233.06059	0.5
234.06807	0.5
235.04007	0.1
235.07385	0.1
236.04694	0.1
237.05542	0.1
244.05264	0.1
245.06033	0.5
246.06755	0.2
247.03969	2.3
247.07625	0.5
248.04700	0.5
248.08394	2.2
249.05574	0.6
249.09174	1.8
250.09497	0.1
253.05009	0.2
258.03229	1.1
259.03903	0.2
260.04742	2.1
261.05518	3.1
262.06281	1.7
263.03485	0.1
263.07156	0.7
264.04068	0.0
264.07971	0.2
265.05035	0.1
272.96793	0.0
273.02423	0.1
273.05548	3.0
274.06311	1.0
275.03503	5.7
275.07025	1.0
276.04233	3.5
276.07861	1.3
276.10693	0.0
277.04999	2.2
277.08636	1.4
278.05377	0.1
278.09045	0.1
287.03470	0.1
288.04254	0.7
289.05054	11.8
290.05811	11.9
291.06564	4.7
292.07336	1.6
293.04553	0.2
293.08121	0.4
302.05896	0.6
303.06616	0.2
304.03763	11.3
304.07391	5.7
305.04495	5.5
305.08148	3.3
306.04977	0.4
306.08875	0.8
307.09683	0.1
308.06906	0.6
319.06091	24.8
320.06723	4.4
321.03970	0.2
321.07059	0.3
333.07559	0.1
334.08435	4.1
335.05463	0.1
335.09094	0.9
336.06311	0.6
338.07941	0.5
346.68024	0.1
349.03503	0.1
352.05994	0.1
363.05750	0.1
364.05859	5.9
365.06256	0.4
366.07407	3.5
367.07736	0.3
379.08194	100.0
380.08545	6.4
428.24716	0.1
775.20355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
69.28874	0.8
72.59892	0.1
89.02446	0.2
124.45668	0.2
131.03456	0.2
149.04591	0.4
156.08496	0.1
219.04498	0.4
221.06055	0.3
232.05301	0.5
233.06076	0.6
234.06848	0.6
245.06094	0.3
246.06754	0.3
247.03941	1.8
247.07704	0.4
248.04555	0.4
248.08389	1.7
249.05531	0.7
249.09157	1.7
258.03223	0.8
260.02258	0.3
260.04755	2.2
261.05533	2.8
262.06281	1.4
263.07132	0.9
264.07715	0.3
273.05560	2.5
274.06189	0.8
275.03519	4.9
275.07089	0.8
276.04236	2.7
276.07858	1.2
277.05045	2.4
277.08633	1.2
288.04291	0.6
289.05057	11.1
290.05807	10.9
291.06580	4.2
292.07309	1.5
293.04703	0.2
293.08136	0.4
302.05881	0.6
303.06662	0.2
304.03766	10.0
304.07407	5.5
305.04504	5.3
305.08139	3.4
306.05182	0.5
306.08868	0.8
308.06903	0.8
319.06097	22.9
320.06705	4.4
321.04105	0.2
321.07379	0.2
334.08414	4.0
335.08969	0.8
336.06375	0.5
338.07950	0.5
352.05566	0.2
364.05872	5.7
365.06265	0.6
366.07401	3.8
367.08215	0.3
379.08206	100.0
380.08557	9.4
395.11990	0.2
407.70975	0.2
574.74957	0.2
656.48688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.4
59.01379	100.0
61.98816	5.1
71.01380	59.3
72.99294	2.6
73.02960	2.5
78.31337	1.0
83.01376	2.3
83.99129	1.3
85.02940	11.9
87.00881	3.8
89.02445	72.0
95.01397	3.3
96.96014	2.3
101.02438	24.7
111.91733	1.0
113.02455	22.6
119.03496	26.9
119.04311	1.6
121.02961	3.1
122.03721	3.4
123.00877	1.1
123.70797	1.1
125.02444	1.2
131.03490	3.5
135.04572	1.6
136.01694	6.9
137.02470	5.4
143.03511	10.0
149.02451	4.7
149.04541	2.9
150.03217	14.1
151.00409	1.5
151.04018	12.1
156.10327	1.0
161.04568	8.6
161.05759	1.6
163.04001	1.7
164.04749	1.2
165.01921	32.4
165.05559	15.4
166.02744	6.7
167.03427	2.0
172.05042	1.0
175.03923	1.7
177.01967	1.7
177.05513	1.6
179.03578	7.5
179.05609	31.3
180.04282	18.6
181.05043	9.5
189.05647	1.4
190.06320	3.4
190.85558	1.0
194.05905	1.8
195.06624	40.5
196.07091	1.1
210.05339	3.8
225.07678	20.8
226.08096	1.2
262.37549	1.0
301.77637	1.2
323.44135	1.2
357.09601	1.8
357.13617	2.3
372.12210	1.4
387.09796	1.6
387.14462	19.7
417.15555	3.6
505.18762	3.9
535.19641	6.5
565.20807	20.3
566.21100	1.6
573.90198	1.2
591.96704	1.1
599.14459	1.6
613.22766	14.5
733.28741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80060	0.3
59.01378	12.7
61.98796	0.4
62.14444	0.3
69.71400	1.1
70.27186	0.3
71.01377	3.2
85.02948	0.9
89.02438	2.3
93.03452	0.5
95.01307	0.4
97.02892	0.4
101.02444	2.0
108.02139	0.4
109.02951	1.3
113.02449	0.9
119.03493	0.8
121.02956	2.0
122.03754	2.9
123.04537	0.6
124.01647	0.5
125.02459	2.2
135.04492	0.4
137.02440	5.6
138.03247	2.1
139.04027	2.5
147.04541	0.8
149.02409	0.4
149.35965	0.3
151.03984	2.0
152.04776	1.4
161.35780	0.3
163.03975	0.6
163.11290	3.3
164.04779	0.6
165.05551	3.6
173.04579	2.2
177.05609	0.9
178.06352	0.4
179.07063	1.7
180.04266	1.3
181.05075	4.3
194.05812	2.1
195.06621	8.2
207.06581	1.5
207.10272	2.1
209.08182	1.0
223.06090	1.1
223.09775	0.5
301.10922	0.4
313.10764	0.5
327.34659	0.3
331.11877	3.8
331.80109	0.3
337.09296	1.0
345.13449	0.9
361.12845	4.2
362.13367	0.7
376.15244	16.8
377.15439	1.1
380.74582	0.3
385.11487	0.4
387.16599	29.8
388.16946	1.5
391.17606	100.0
392.17950	8.0
553.22894	19.7
554.23230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.5
62.76543	0.2
70.28597	0.5
70.45994	0.3
71.01388	7.2
73.02946	0.5
83.01394	0.5
84.22685	0.3
85.02940	1.5
86.47327	0.3
86.59377	0.2
89.02450	7.2
89.06917	0.2
89.82986	0.3
95.01398	0.6
101.02451	6.2
101.03098	0.4
113.02456	2.9
118.22979	0.2
119.03509	2.9
123.76608	0.3
163.11314	4.0
164.04805	0.4
173.04501	0.4
207.10266	8.7
208.03737	0.4
208.10513	0.4
223.06073	1.5
224.06534	0.3
225.11273	0.3
361.02942	0.3
387.16602	100.0
388.16965	8.6
389.17142	0.5
391.17480	0.4
420.24286	0.3
433.08536	0.3
483.26559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03456	0.4
59.01381	30.5
64.54062	0.4
71.01381	5.7
72.88843	0.3
72.99313	0.7
73.02946	2.0
83.01382	1.3
85.02959	2.7
87.00879	0.6
89.02439	3.2
95.01372	0.4
96.96033	0.6
99.00887	0.6
100.89275	0.4
101.02438	4.6
105.53668	0.3
111.91753	0.4
113.02455	2.8
119.03500	1.3
129.01927	0.4
131.03595	0.3
151.00229	0.4
161.04587	1.0
193.05066	0.7
194.99124	0.5
209.11870	0.5
220.79134	0.3
227.12856	0.7
243.91304	0.3
248.16869	0.4
250.60028	0.4
329.15881	0.4
389.18155	100.0
390.18509	4.9
421.18542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	22.1
59.01377	9.0
71.01389	2.5
71.43914	0.9
73.02935	4.4
77.76086	0.9
81.03462	1.6
83.01392	1.1
96.96009	3.2
99.04518	23.1
101.02436	8.4
101.34406	0.9
119.64774	0.9
123.04518	2.0
124.20342	1.2
125.02443	25.8
143.03477	1.9
161.04607	1.7
203.05562	1.3
216.90913	1.1
305.08850	7.3
348.99207	0.9
355.03735	0.9
358.78293	1.0
469.33206	100.0
470.33588	10.9
483.34689	4.0
493.33545	1.1
511.34164	3.3
610.23596	1.1
683.08337	1.0
731.44208	1.9
775.42609	13.3
776.43109	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
62.96587	0.1
65.71507	0.1
65.97785	0.1
68.73694	0.1
71.01377	0.7
73.02945	0.1
78.95895	0.6
79.95736	2.8
85.02938	0.3
88.95145	0.1
89.02454	0.7
93.03466	0.1
94.98088	0.5
95.97628	0.2
96.96011	100.0
97.95938	0.3
100.99677	0.1
101.02442	0.5
113.02467	0.3
119.03497	0.3
132.32320	0.1
137.02429	0.2
153.05513	0.2
161.68060	0.1
165.01923	1.4
179.03505	0.2
179.05646	0.2
180.04266	0.7
191.05632	0.1
192.04233	0.1
194.05765	0.1
195.06589	0.8
206.13324	0.1
207.06615	0.1
210.05330	0.2
223.06206	0.2
225.07657	0.6
250.74521	0.1
259.61688	0.1
284.96494	0.1
324.03491	0.1
327.12668	0.1
369.13123	0.1
397.03351	0.1
529.28320	0.1
545.33453	0.2
565.21307	0.2
613.22925	0.1
775.28595	0.3
775.46533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61684	1.5
59.01378	100.0
61.98821	4.1
69.03449	4.0
70.05791	1.3
70.18571	2.0
70.18896	2.4
71.01378	46.0
72.99281	1.3
73.02944	27.7
83.01405	8.8
85.02949	14.5
87.00874	21.2
89.02444	23.8
95.01385	5.8
96.96017	2.7
97.02947	24.9
98.22572	1.6
99.00887	2.1
101.02444	46.1
110.02750	1.4
111.19106	1.3
113.02444	16.3
115.04013	6.4
119.03519	9.6
125.02458	13.5
131.03505	4.4
143.03491	47.1
149.04514	1.7
153.40300	1.4
154.07866	1.4
159.03001	2.5
160.01689	2.1
161.04553	23.1
171.71036	1.4
175.04025	1.6
179.05611	26.9
203.05594	31.8
221.06677	24.8
235.08145	2.7
263.07584	8.7
267.47153	1.4
276.04108	1.8
289.05087	3.5
290.05789	4.8
291.06213	4.1
293.26193	1.6
304.03778	5.4
304.07147	1.7
305.04251	4.1
305.08691	14.6
319.06094	5.3
320.06595	7.8
321.07233	2.2
323.09665	5.7
366.07156	1.6
367.08179	2.4
379.08130	22.3
380.08569	30.1
381.08975	2.8
446.57059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.16563	1.6
69.16978	0.5
71.01404	0.4
75.00878	1.2
87.07710	0.4
96.96025	0.5
103.00451	10.5
103.01492	68.1
104.01785	0.6
118.58896	0.4
135.58092	0.4
141.25650	0.4
150.03214	0.5
175.04004	0.5
208.22026	0.5
289.05005	0.9
290.05826	0.7
291.06516	0.5
304.03763	1.0
310.29309	0.4
319.05954	1.6
367.11584	1.1
379.08163	10.6
380.08279	1.2
381.18289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03439	3.0
59.01378	65.2
61.92529	1.3
61.98818	4.0
69.03455	3.8
71.01379	54.3
72.99323	4.4
73.02944	21.6
75.00848	1.3
81.03460	2.1
83.01391	6.5
85.02948	24.8
87.00890	8.4
89.02443	35.5
95.01392	6.3
96.96040	4.1
97.02957	7.2
99.00873	15.3
99.04497	2.3
101.02436	32.3
111.00912	3.2
113.02444	23.3
113.65171	1.2
115.04012	1.6
119.03519	5.4
121.02924	2.0
123.04502	1.9
124.01644	1.6
125.02453	6.3
129.01936	2.5
131.03491	3.0
136.84750	1.5
143.03499	2.2
149.02521	1.5
149.04559	3.5
150.03198	5.2
159.03001	1.9
161.04561	3.7
165.05540	5.7
167.83772	1.4
173.04564	1.7
179.07141	3.8
188.18913	1.5
191.01999	2.0
191.05586	3.4
195.06616	3.1
225.67850	1.5
233.06625	1.9
278.89343	1.5
318.49820	1.4
327.12354	2.0
399.23828	2.8
417.28259	1.6
513.27057	2.1
531.28284	3.3
543.28015	3.2
551.19196	2.0
561.29291	4.0
675.32300	100.0
676.32361	6.6
693.33344	36.3
694.33972	4.1
735.34351	22.9
736.34656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	0.7
70.57176	0.2
70.57503	0.2
75.00871	0.8
103.00377	3.9
103.01494	71.6
104.01836	0.3
157.15202	0.1
222.38023	0.1
232.38898	0.1
239.58330	0.1
397.13391	0.2
415.14661	0.2
684.16138	0.2
726.30127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54199	0.3
59.01379	100.0
60.01719	0.7
61.98828	1.2
67.91578	0.3
69.71178	1.2
75.00861	1.0
97.00155	0.3
98.22664	0.4
102.34769	0.3
102.95698	0.8
103.00369	3.5
103.01495	73.8
104.01195	0.4
104.01836	0.6
104.21479	0.3
106.56406	0.3
107.04610	0.3
110.99921	0.3
143.25731	0.3
209.47368	0.3
417.01947	0.4
618.31738	0.4
625.43726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4571
Annotation	Depressoside C
Peak:m/z	Relative Intensity
55.01880	2.4
57.03446	2.3
57.17563	0.4
58.00582	0.9
59.01378	48.8
60.01705	0.4
61.98812	1.4
69.03447	1.9
69.31694	2.0
71.01379	28.1
71.05036	0.5
72.99296	1.0
73.02943	10.0
75.00830	0.4
80.33006	0.4
80.48604	0.4
81.03452	1.9
83.01381	5.9
83.05035	0.9
85.02947	21.4
87.00866	1.8
87.04482	0.4
89.02446	8.0
95.01369	2.0
96.96091	0.5
97.02954	2.7
99.00901	3.4
99.04522	2.9
101.02444	23.5
101.62895	0.4
109.02961	3.4
113.01691	0.7
113.02448	8.1
115.03973	1.1
119.03474	1.4
125.02423	0.6
127.04025	3.8
129.94940	0.5
143.03557	0.5
145.05055	7.4
159.03024	0.5
161.04558	3.7
201.88882	0.4
312.19278	0.5
382.93860	0.5
439.32104	1.7
451.32419	0.6
471.34912	0.7
617.40582	21.0
618.40985	1.7
779.45844	100.0
780.46112	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42911	0.3
74.25394	0.3
79.95722	1.4
86.47539	0.2
92.58187	0.3
95.95281	0.5
96.96008	66.7
222.10904	0.3
232.35742	0.3
265.14774	100.0
266.15063	3.6
306.82639	0.3
562.74799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09433	0.1
59.01379	1.1
61.98818	0.2
69.12023	0.3
69.12424	0.2
71.01364	0.2
72.65393	0.1
73.02930	0.2
79.95735	1.6
83.43948	0.1
89.02456	0.1
89.22340	0.1
96.96010	100.0
97.95961	0.1
101.02423	0.1
161.04559	0.2
163.11327	0.1
195.06511	0.1
225.16319	0.1
287.09576	22.9
288.09888	0.5
298.35056	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01723	0.6
61.98827	0.6
62.88151	0.4
69.75938	1.4
75.00854	0.8
79.96219	0.4
92.65144	0.5
96.96015	0.7
102.95694	0.8
103.00377	4.5
103.01492	68.2
112.38366	0.4
122.94787	0.3
139.67094	0.4
180.71661	0.4
275.95236	0.4
359.14273	0.5
397.12994	0.4
477.22632	0.4
515.67725	0.4
518.13104	0.4
589.04425	0.4
698.89178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.35064	0.3
59.01378	100.0
60.01723	0.4
71.01376	0.4
75.00871	1.3
85.02979	0.9
96.28631	0.3
98.21808	0.7
101.02458	0.7
103.00485	7.8
103.01493	89.1
104.01845	0.7
137.67499	0.3
151.03804	0.3
163.96687	0.3
225.16063	0.3
251.48318	0.3
335.12482	0.4
415.95831	0.3
473.81204	0.4
517.64636	0.3
576.90411	0.4
677.49609	1.6
678.49817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
59.01370	0.9
61.98825	1.1
69.46201	1.0
69.46577	0.7
71.01399	0.5
72.00178	0.4
74.17200	0.4
99.04520	1.3
101.02436	1.2
107.73993	0.4
116.92883	0.5
125.02458	2.0
161.04568	0.6
172.86607	0.4
207.19447	0.4
232.05276	0.4
233.06239	0.5
247.04010	1.3
247.07416	0.5
248.08327	2.1
249.05521	0.5
249.09219	1.6
258.03253	0.5
260.04779	1.6
261.05588	1.5
262.06348	1.2
263.07196	0.6
271.35440	0.4
273.05496	2.4
274.06116	0.8
275.03473	3.7
275.06485	0.7
276.04163	1.9
276.07660	0.7
277.05005	1.7
277.08655	1.2
289.05099	7.3
290.05847	8.9
291.06549	3.0
292.07260	1.4
302.06122	0.6
304.03781	7.9
304.07397	4.6
305.04514	3.9
305.08218	3.1
306.08716	0.6
308.07141	0.6
319.06107	17.9
320.06744	3.2
334.08524	2.7
335.09109	0.9
336.06244	0.9
361.16510	0.9
364.05899	4.9
366.07434	4.5
379.08212	100.0
380.08487	4.5
450.66843	0.4
643.16681	2.4
787.44446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01379	46.1
60.01709	0.2
71.01383	9.0
73.02970	0.6
75.00861	0.3
83.01392	0.4
85.02949	1.8
87.00896	0.3
89.02446	8.3
91.34049	0.2
95.01390	0.9
99.00867	0.2
101.02440	6.3
101.69109	0.2
113.02451	3.6
116.90831	0.2
119.03497	3.9
125.02412	0.2
163.11284	4.2
179.05539	0.4
207.10258	7.6
208.10732	0.3
229.46004	0.3
282.02240	0.2
339.42667	0.2
387.16592	100.0
388.17001	5.1
624.13666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98828	0.2
64.70786	0.1
71.01387	0.2
79.95721	1.3
81.18577	0.1
85.02950	0.2
88.98799	0.2
89.02450	0.3
92.14156	0.1
92.36661	0.1
96.96009	100.0
97.95963	0.2
98.95583	0.1
101.02430	0.2
117.57763	0.1
125.22598	0.2
132.45174	0.1
150.03197	0.7
165.05551	0.8
195.06616	0.4
239.98772	0.1
243.12369	0.2
273.11716	0.2
273.31332	0.2
281.06528	0.2
287.09579	30.1
288.09909	1.5
432.61365	0.2
545.32745	0.2
577.32458	0.2
585.23370	0.3
694.27155	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48400	0.3
59.01382	1.7
61.98828	0.5
67.01877	0.6
71.01373	0.7
82.95417	0.5
83.01383	0.3
85.02949	0.4
89.02456	0.4
90.92629	0.3
96.96018	2.1
98.22644	0.9
101.02439	0.3
104.76589	0.3
138.69746	0.3
146.74260	0.2
186.03079	0.3
193.06537	0.3
210.95323	0.3
220.05371	0.5
221.06042	2.1
222.06892	0.3
225.05647	0.5
232.05354	0.3
233.06076	0.3
235.04005	1.7
236.04701	0.8
237.05579	1.3
238.06473	0.3
247.04048	0.5
248.04759	1.8
249.05547	5.7
250.06262	2.5
251.03531	0.4
251.06975	0.4
252.07962	0.3
260.05063	0.3
261.05591	0.5
262.06256	0.6
263.03488	0.8
263.07098	2.3
264.04297	2.8
264.07809	1.3
265.05038	6.2
265.08102	0.4
266.05569	1.0
275.03546	0.7
276.04230	1.3
277.05051	3.7
278.05692	0.4
279.06454	1.6
280.07379	0.9
281.08276	0.5
287.09473	0.3
289.05081	0.9
290.05844	1.6
291.02905	0.8
291.06552	1.2
292.03778	13.3
292.06985	0.5
293.04507	10.6
294.04889	0.6
305.04614	1.0
306.05316	0.8
307.06113	15.0
307.09360	0.5
308.06860	11.4
309.07285	0.8
311.09366	0.5
319.06287	0.5
320.03400	1.3
321.04099	2.4
322.08438	17.6
323.09198	14.1
324.09592	1.3
335.05576	4.8
336.06409	3.9
351.08719	36.2
352.09039	2.8
365.06580	0.3
380.05414	1.1
395.07687	100.0
396.08020	10.6
511.27194	0.3
791.20050	3.5
792.21802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
69.24594	0.6
79.95728	1.4
85.02929	0.2
96.96011	100.0
97.95953	0.5
98.21863	0.2
98.95601	1.4
98.96460	0.2
101.02438	0.1
108.02174	0.1
116.92818	0.1
121.02962	0.2
121.17055	0.1
122.03738	0.3
134.03786	0.2
135.08388	0.1
137.02463	0.2
138.03209	0.1
145.03017	0.1
149.02438	0.4
149.06099	0.3
150.03239	1.7
151.04070	0.1
161.02435	0.1
161.06079	0.1
163.04024	0.1
163.11276	0.1
165.05566	1.6
166.02689	0.3
166.05830	0.1
177.05562	0.2
179.07051	0.2
180.04335	0.2
181.05070	0.5
192.04330	0.2
195.06601	0.9
203.03531	0.2
207.06566	0.3
251.09218	0.3
268.67334	0.1
287.09589	21.8
288.09958	1.3
289.09229	0.2
301.10886	0.2
376.15259	0.4
391.17615	0.9
405.43381	0.2
432.14014	0.2
433.14743	0.1
505.19391	0.1
539.22717	0.6
569.23743	0.2
587.25037	1.0
629.22498	1.2
631.64001	0.1
719.03326	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01381	41.2
71.01383	8.9
73.02914	0.5
73.54350	0.4
83.01403	0.7
85.02932	1.9
89.02450	9.6
95.01384	0.6
96.50701	0.4
97.92503	0.4
101.02448	6.3
113.02447	3.2
119.03492	3.3
141.00656	0.4
149.02438	2.2
149.04523	0.5
161.04504	0.4
163.11299	3.8
164.04759	2.6
165.05200	0.5
177.18819	0.4
179.07155	0.6
189.95457	0.4
193.01472	0.8
207.10278	9.3
207.12115	0.7
208.03690	2.6
209.04082	0.5
223.06133	7.5
224.06458	2.4
225.06679	0.6
225.11249	0.6
253.66403	0.4
281.65967	0.4
385.11417	2.1
386.11530	0.6
387.16599	100.0
388.17041	6.7
388.21701	0.4
389.17493	0.6
447.90356	0.4
469.68317	0.5
547.65002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
59.01379	1.9
61.98829	0.4
71.01377	0.5
71.45242	0.2
73.02941	5.8
75.00868	7.0
79.86534	0.2
80.54777	0.2
87.00875	0.4
89.02460	0.6
99.00877	5.0
99.92581	9.8
100.92570	0.3
101.02435	0.2
114.93415	0.5
115.00402	0.3
116.03545	1.0
116.92857	100.0
116.97250	1.7
117.01939	12.5
117.05590	0.6
117.92863	2.9
277.21692	0.6
335.17480	0.2
397.13525	1.5
406.04410	0.2
415.14606	0.5
455.05029	0.3
485.15475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03440	0.9
58.00580	0.3
59.01380	26.7
59.45367	0.3
61.98832	0.4
64.48376	0.3
66.04768	0.3
69.03457	0.6
71.01382	12.5
72.99311	0.4
73.02945	6.2
75.00903	0.3
83.01368	1.7
85.02944	5.6
87.00874	0.9
89.02445	5.6
95.01379	0.9
97.02945	0.6
99.00889	2.9
99.04525	0.6
100.88094	0.3
101.02440	9.0
113.02450	5.8
119.03491	1.1
125.02448	1.4
129.01944	0.7
131.03505	0.5
143.03502	0.8
149.04532	2.1
159.02995	0.7
161.04585	1.9
191.05661	0.7
228.77068	0.3
233.15498	0.7
235.17017	8.6
236.17407	0.4
251.16484	2.7
293.08588	0.3
371.28928	0.3
395.20602	2.9
413.21786	11.5
414.22128	0.7
426.88498	0.3
455.22845	100.0
456.23166	3.9
494.77271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.98820	0.5
66.15928	0.3
67.36008	0.3
69.18660	2.1
69.73490	0.3
81.40057	0.4
88.48487	0.3
89.51031	0.4
96.96001	0.5
103.01476	0.6
157.22610	0.3
164.24515	0.4
203.29706	0.3
219.04533	0.5
232.05183	0.5
233.05751	0.4
239.46062	0.4
247.03931	2.3
247.07738	0.6
248.04651	0.6
248.08444	2.0
249.05551	0.8
249.09196	1.5
258.03314	0.9
260.04813	1.5
261.05530	2.6
261.58392	0.3
262.06357	2.0
263.07053	0.8
271.51468	0.3
273.05594	2.1
274.06122	0.6
275.03494	5.8
275.06775	0.6
276.04239	3.6
276.07608	0.7
277.04996	2.2
277.08640	1.1
288.04324	0.9
289.05023	9.8
290.05817	10.9
291.06528	5.1
292.07333	1.0
293.04727	0.5
293.08047	0.6
302.05957	0.5
304.03763	10.4
304.07394	4.7
305.04501	5.3
305.08160	2.5
306.04892	0.4
306.08603	0.7
308.06876	0.7
319.06082	22.2
320.06699	4.0
321.03824	0.5
334.08487	3.0
335.08875	0.4
336.06342	0.8
338.08051	0.4
364.05869	5.5
365.06140	0.6
366.07379	4.1
367.08020	0.4
379.08212	100.0
380.08533	7.7
459.00027	0.4
528.74982	0.4
785.34906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
62.18705	0.1
69.61368	0.2
69.61715	0.4
71.01375	0.2
73.02950	0.7
75.00865	0.6
85.02917	0.1
89.02419	0.1
99.00883	0.2
99.92583	8.8
100.92582	0.3
101.02484	0.1
114.93438	0.6
116.92860	100.0
117.01933	1.4
117.05463	0.1
117.92870	2.4
229.14288	0.2
414.66544	0.1
677.49634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15487	0.1
59.01373	0.9
61.98830	100.0
62.81133	0.1
62.98531	0.2
69.55880	0.4
71.01389	0.3
73.02950	0.3
85.02972	0.1
87.00883	0.2
89.02445	0.2
97.02995	0.2
98.21931	0.2
101.02472	0.4
113.02435	0.1
143.03545	0.3
150.26332	0.1
179.05721	0.2
203.05658	0.2
577.51727	0.1
656.80164	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01384	12.1
71.93994	0.5
73.02949	4.0
73.58854	0.5
78.37054	0.6
83.01394	1.1
85.02962	5.5
85.22552	0.5
89.02472	2.3
95.01386	1.0
97.02958	0.6
99.00880	1.3
101.02431	6.0
101.02982	0.6
113.02460	3.8
117.32789	0.6
119.03520	0.9
132.80186	0.5
149.02542	0.6
161.04564	4.7
162.04980	0.7
177.84206	0.5
184.68655	0.6
253.89111	0.6
259.78442	0.7
261.62515	0.7
315.18106	7.3
357.19162	4.7
417.93564	0.6
510.26440	0.8
601.21436	0.6
705.81512	0.7
742.86365	0.6
770.38843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
60.88501	0.1
61.98819	0.2
70.78136	0.1
71.01376	0.6
78.63031	0.1
85.02976	0.1
89.02435	0.4
101.02450	0.2
113.02453	0.2
119.03503	0.1
120.04535	0.1
131.03540	0.1
181.06528	0.1
204.05760	0.1
205.06589	0.2
216.25066	0.1
219.04445	0.4
219.08153	0.1
221.06035	0.1
231.04634	0.2
232.05275	0.5
233.06047	0.6
234.06868	0.4
245.06158	0.4
246.06833	0.3
247.04028	2.4
247.07666	0.4
248.04755	0.3
248.08414	1.9
249.05560	0.6
249.09196	1.8
253.05020	0.2
258.03259	0.9
259.04022	0.2
260.04755	1.8
261.05545	2.9
262.06314	1.6
263.03448	0.1
263.07166	0.6
264.07834	0.2
273.05551	2.5
274.06284	1.0
275.03497	5.3
275.07010	0.6
276.04251	3.5
276.07886	0.8
277.05042	2.0
277.08646	1.1
278.05597	0.2
278.09229	0.1
287.03586	0.1
288.04279	0.7
289.05063	11.3
290.05814	10.5
291.06604	4.4
291.10040	0.1
292.07349	1.7
293.04547	0.3
293.08176	0.4
302.05798	0.5
303.06506	0.2
304.03778	10.7
304.07413	5.0
305.04529	5.1
305.08182	2.7
306.05020	0.4
306.08881	0.5
307.09470	0.1
308.06894	0.8
319.06097	23.9
320.06754	4.0
321.03918	0.2
321.07275	0.2
330.58310	0.1
334.08441	3.0
335.09128	0.8
336.06250	0.5
338.08044	0.5
364.05869	5.3
365.06186	0.3
366.07425	3.5
367.07950	0.2
379.08197	100.0
380.08566	5.2
397.61868	0.1
563.39740	0.1
805.22498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26098	0.7
58.49114	0.9
59.01373	9.9
67.01904	1.4
68.90796	0.9
69.61012	3.1
71.01384	4.7
73.02943	1.0
85.02950	2.5
89.02441	6.0
96.96011	30.9
98.22624	1.7
98.95605	2.3
101.02421	2.1
109.02959	4.4
113.02470	1.9
119.03486	2.1
123.00883	1.6
125.02502	0.8
135.04546	1.6
136.01700	1.9
137.02446	24.0
149.02441	1.3
150.03232	2.3
151.00400	4.6
151.03976	5.1
152.01100	1.0
152.04807	3.4
153.05606	0.9
156.33299	0.8
161.02492	1.2
161.04562	1.8
162.03217	1.0
163.04036	1.6
164.01160	2.7
164.04771	1.1
165.01930	100.0
165.05531	4.6
166.02719	21.9
167.03519	1.2
175.03972	2.4
176.04747	0.8
177.01981	0.9
177.05530	1.8
179.03508	20.0
179.05211	1.4
179.05701	1.2
180.04279	61.6
181.05063	27.7
187.03947	2.6
190.06357	0.9
192.04332	1.3
193.05067	2.8
194.05821	4.1
195.02892	2.3
195.06618	73.5
205.05031	5.1
207.06587	2.7
210.05331	11.9
220.07480	4.6
225.07672	58.5
283.09604	0.9
287.09607	10.4
345.09604	1.1
359.11450	1.4
371.11209	1.4
386.13367	1.0
387.10193	4.4
387.14563	2.7
402.13068	3.6
403.13925	2.0
416.14917	3.0
417.15543	45.0
418.15750	2.4
559.55939	0.9
565.18018	2.5
580.19458	1.1
595.21826	55.3
596.22241	3.6
613.23468	1.7
643.23987	35.7
644.23676	1.9
663.23914	1.1
805.29163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01386	1.8
61.98820	0.4
63.54066	0.3
67.47617	0.4
69.03453	0.3
69.07465	0.3
71.01352	0.7
83.05012	0.9
89.02451	0.8
93.07056	0.4
97.06591	0.4
98.22630	1.3
101.02435	0.4
107.08681	0.6
111.08174	0.4
121.10226	1.3
125.09715	3.8
127.11274	1.6
139.11259	0.4
140.80173	0.3
141.12840	0.4
153.09230	0.4
153.12857	1.6
165.09261	0.4
165.12859	0.6
185.11848	2.0
197.11765	0.7
199.13475	0.3
211.13402	1.1
213.14946	0.4
219.13802	0.5
223.13425	0.5
229.19632	1.3
235.08215	0.6
247.20660	4.5
248.20964	0.5
253.09280	3.7
263.20126	8.1
264.20508	0.4
273.18570	8.1
274.18958	0.4
277.21716	22.6
278.22079	0.9
291.19650	100.0
292.19998	5.5
353.48895	0.3
376.90118	0.3
405.61121	0.4
475.77203	0.4
617.16876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.3
59.01381	97.9
61.98836	7.7
69.03451	3.9
71.01385	72.2
72.99319	3.4
73.02952	14.4
78.68465	1.3
81.03436	1.5
82.97438	1.5
83.01392	9.8
85.02955	31.8
87.00867	10.0
89.02451	40.6
89.27369	1.4
91.73799	1.7
95.01394	6.5
96.96019	3.4
97.02945	5.6
99.00884	7.2
101.02451	51.2
101.91530	1.5
105.09518	1.4
108.89442	1.7
111.00861	4.7
113.02448	33.7
119.03511	13.3
124.01624	3.1
125.02440	9.3
129.01965	3.6
130.08740	7.4
130.98172	1.5
131.03523	2.8
143.03584	6.9
149.04572	2.4
150.03262	2.5
159.02997	1.7
161.04570	9.4
165.05557	1.8
179.05635	4.9
195.06677	1.8
203.05534	2.9
221.06712	2.3
237.36139	1.5
245.06618	1.6
352.17706	3.5
382.59265	1.4
399.23944	3.6
539.01563	1.5
543.28217	9.7
561.29150	16.7
603.30859	2.1
603.49719	1.7
705.33380	100.0
706.33649	13.2
720.66174	1.4
723.34424	72.6
724.34900	6.1
765.35474	25.2
766.36115	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
60.23880	0.1
61.98800	0.2
71.01379	0.5
73.02923	0.3
73.29131	0.1
79.77876	0.1
79.95701	1.5
88.98796	0.5
93.68131	0.2
96.96011	100.0
97.95950	0.2
98.95597	0.2
101.02443	0.4
162.45943	0.2
186.83116	0.2
212.61794	0.2
255.78044	0.2
282.93652	0.2
289.11154	53.7
290.11496	2.0
356.26019	0.2
632.03125	0.2
728.75995	0.2
814.94659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01376	1.7
61.98832	1.4
71.01375	1.3
80.02684	1.7
81.03466	1.7
83.01373	0.3
83.05028	6.6
84.02161	2.5
85.02948	1.0
89.02467	0.5
93.03476	0.4
95.05034	0.9
97.06576	0.3
101.02434	0.6
107.04985	0.3
113.02438	0.6
113.69987	0.3
125.06089	0.6
125.09717	0.4
135.08134	0.5
150.03255	0.4
163.11295	5.9
165.01909	0.3
165.05589	0.5
165.12878	3.3
181.12341	0.6
191.01953	0.5
191.10782	1.4
195.06499	0.2
199.13431	0.5
201.11229	0.3
209.11832	100.0
210.12206	2.6
227.12892	35.1
228.13225	0.7
283.88696	0.3
293.95984	0.3
367.81113	0.3
399.63376	0.3
504.54749	0.3
723.34717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01367	1.1
71.01386	0.3
71.45168	0.1
83.05033	0.2
87.68188	0.1
96.95992	0.4
97.06570	0.2
99.08144	0.2
106.23843	0.1
113.09737	1.3
123.62405	0.2
134.89487	0.9
154.91833	0.2
177.12875	0.2
179.14391	0.7
181.12289	0.3
185.15987	0.2
195.13895	13.2
196.14244	0.6
233.22682	0.2
234.77553	0.2
251.23785	0.2
253.09172	0.3
259.20636	0.2
277.21716	14.9
278.22095	1.3
293.21024	0.2
295.22757	100.0
296.23105	8.1
296.26508	0.4
757.16296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14729	0.4
57.35779	0.6
61.51788	0.5
61.98829	0.8
63.79501	0.4
64.75141	0.5
66.48353	0.5
70.79433	0.8
88.83995	0.5
125.47599	0.4
184.71324	0.5
201.03917	0.6
205.65826	0.6
303.29370	0.5
390.05945	0.5
431.96713	0.5
455.35300	100.0
456.35553	6.9
537.90985	0.6
622.18951	0.5
685.90717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.0
61.98824	0.6
62.64212	0.2
63.62767	0.2
71.01376	0.5
71.05008	0.3
73.02962	0.2
80.02679	1.4
81.03471	1.6
83.01382	0.3
83.05034	5.4
84.02173	1.7
85.02943	0.3
89.02456	0.6
94.76241	0.2
95.05009	0.6
101.02426	0.3
109.06615	0.5
113.02448	0.3
116.05241	0.2
125.06069	0.5
125.09718	0.2
127.75343	0.2
135.04541	0.3
135.08139	0.9
146.06116	0.3
161.04494	0.2
163.11285	4.3
164.11664	0.5
165.12830	2.9
165.50484	0.3
169.25482	0.3
179.21318	0.2
181.12367	0.8
183.13855	0.4
185.11839	3.4
191.10832	1.4
195.06583	0.4
209.11833	100.0
210.12169	6.0
211.13440	12.2
212.13710	0.3
227.12897	53.1
228.13226	2.7
229.14502	2.5
259.15515	3.6
328.36792	0.3
560.37592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01378	100.0
60.01720	0.6
60.54352	0.4
71.01380	6.7
73.02953	2.0
75.49483	0.4
78.87225	0.5
83.01417	0.8
85.02956	5.0
89.02450	1.1
95.01430	0.8
96.96043	0.7
99.00917	0.8
101.02456	3.4
113.01794	0.4
113.02412	2.5
138.34196	0.5
159.02983	0.7
161.04538	3.4
163.25368	0.5
211.49774	0.5
235.27122	0.5
259.44241	0.6
327.21930	1.6
329.13983	0.9
379.08154	0.9
381.22891	2.4
399.23837	5.7
441.24887	7.8
442.25803	0.8
485.11765	0.9
751.42755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
75.51665	21.0
79.91957	18.7
80.96532	65.9
94.98111	24.9
98.21893	69.3
127.45189	23.8
131.49376	24.7
214.57295	22.0
219.65456	25.7
377.83325	22.4
381.36798	21.7
406.25079	26.1
430.60672	22.6
461.86041	21.8
815.50037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	0.5
61.98835	1.9
69.84892	1.0
69.85278	1.0
71.01396	2.1
73.02969	0.5
75.46510	0.4
78.95922	0.4
85.02984	0.6
85.95712	0.4
87.00890	0.5
89.02441	1.6
96.99314	3.7
97.02918	0.9
101.02456	1.5
113.02497	1.0
121.02961	1.0
125.02502	0.9
141.01703	53.3
145.21245	0.5
235.08372	0.7
243.04831	0.9
277.21716	6.0
359.22070	5.2
360.89380	0.5
397.13483	12.9
398.14139	0.5
415.14459	3.1
419.11700	3.0
437.12897	4.5
594.54095	0.5
675.36755	1.1
697.33875	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32332	0.6
59.01380	100.0
61.98819	3.0
71.01382	2.8
72.33338	0.6
85.02940	0.7
89.02447	1.2
96.21822	0.5
96.99319	1.8
97.02970	1.0
101.02453	2.9
113.02446	1.0
119.81837	0.6
125.02415	0.7
141.01704	58.6
161.04570	0.8
165.01648	0.5
200.05489	0.6
231.95990	0.7
242.65454	0.6
243.04967	1.0
277.21735	5.4
359.22006	4.4
394.34244	0.7
397.13547	10.2
415.14813	2.5
419.11682	3.0
437.12845	4.3
543.99152	0.7
559.67535	0.7
671.89209	0.8
675.36353	1.0
697.34491	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15480	0.3
59.01370	0.9
70.69515	0.7
71.01365	0.5
89.02441	0.5
122.17856	0.4
139.95436	0.3
163.91071	0.3
167.20132	0.4
233.05972	0.5
234.07007	0.4
247.04053	1.4
247.07707	0.5
248.08415	1.6
249.05437	0.8
249.09218	1.3
258.03259	0.6
260.04718	1.5
261.05573	2.3
262.06268	1.4
263.07117	0.8
273.05536	2.7
274.06351	1.0
275.03522	4.8
275.07059	1.0
276.04245	2.2
276.07886	0.9
277.05023	1.9
277.08640	1.1
288.04221	0.6
289.05054	9.4
290.05771	10.0
291.06577	4.0
292.07361	1.1
304.03769	8.7
304.07419	5.5
305.04456	4.4
305.08148	3.4
306.05197	0.5
306.08798	0.8
308.06848	0.8
319.06085	21.5
320.06723	3.9
334.08392	3.3
335.08978	0.8
338.08020	0.6
364.05832	5.2
365.06079	0.7
366.07385	3.1
379.08194	100.0
380.08551	7.4
424.44577	0.3
646.99701	0.4
695.71472	0.4
775.21075	2.4
776.21436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95350	0.4
59.01373	4.8
71.01375	1.3
73.02932	0.9
85.02959	0.5
96.96003	0.5
101.02426	0.6
104.02654	0.6
113.02483	0.6
117.03470	0.7
132.02170	30.2
133.02898	1.6
134.03732	15.5
135.04404	0.6
146.75809	0.4
149.06079	2.0
160.01651	99.8
161.02411	4.3
175.03993	100.0
176.04301	3.3
178.02705	1.3
179.03551	0.8
193.05045	9.6
265.07397	0.6
289.07266	0.5
316.54071	0.4
361.09079	0.5
541.15393	0.6
559.17682	0.7
565.15753	0.8
583.16602	1.8
601.17853	3.0
625.17877	1.4
636.34399	0.4
643.18817	3.7
735.21558	0.8
759.21399	6.1
777.22467	3.1
784.28607	0.5
819.08710	0.5
819.23291	11.2
820.23566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98830	1.1
71.01390	2.3
85.02928	0.8
87.00879	0.7
89.02449	1.5
96.99313	2.0
97.87170	0.6
101.02457	1.9
113.02459	0.9
141.01694	62.1
142.02028	1.0
165.01871	0.5
243.04810	0.6
279.23291	7.1
361.23453	5.2
397.13458	11.0
415.14728	2.9
419.11612	2.8
437.12766	4.9
505.55658	0.6
677.37726	1.7
699.35724	3.9
799.51025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
59.01377	30.3
61.98821	1.2
71.01379	17.4
72.99281	0.9
73.02948	6.7
81.03440	1.5
83.01376	2.6
85.02943	14.8
87.00869	1.4
89.02455	5.7
95.01379	1.3
97.02943	1.6
98.21835	1.6
99.00873	2.2
99.04500	1.8
101.02439	14.7
102.43421	0.6
109.02982	2.8
113.02450	5.7
115.03960	1.1
119.03501	1.5
127.04007	2.4
145.05063	7.8
159.02995	0.7
161.04620	1.4
222.74634	0.6
294.08603	0.8
299.45419	0.5
326.80856	0.6
338.10843	0.8
339.11499	0.9
439.32227	1.1
487.69644	0.8
617.40479	9.8
652.80493	0.7
779.45844	100.0
780.46143	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.2
58.21271	0.2
59.01377	23.8
60.01699	0.3
60.72141	0.2
61.98823	0.2
68.99811	0.3
69.03438	0.8
69.06074	1.5
71.01379	12.0
72.99311	0.3
73.02945	6.2
75.51923	0.2
75.67870	0.2
81.03440	0.3
83.01382	2.3
83.05021	0.6
85.02456	0.4
85.02950	6.3
87.00865	1.2
89.01928	0.3
89.02438	3.8
90.50485	0.3
95.01382	1.1
97.02949	0.8
99.00882	1.9
99.04520	1.0
101.02443	8.5
111.00857	0.3
113.02448	6.5
119.03512	1.1
121.47717	0.2
125.02439	0.8
129.01924	0.5
143.03497	0.9
159.02975	0.7
161.04564	2.0
179.05621	1.9
200.47589	0.2
221.06625	0.5
233.15457	0.5
235.17023	9.8
236.17422	0.4
243.17195	0.3
251.16527	3.0
353.34818	0.3
372.89056	0.3
395.20816	2.9
413.21780	13.1
414.22049	0.7
455.22836	100.0
456.23157	5.9
823.54651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.4
59.01382	37.1
69.26940	1.7
71.01383	9.2
72.99329	0.5
73.02961	0.5
73.04278	0.4
78.16772	0.3
83.01375	0.4
85.02934	2.0
89.02448	7.0
95.01388	0.7
98.21989	1.1
98.22694	0.7
101.02445	6.4
113.02447	2.9
119.03500	3.1
149.02452	1.3
150.02834	0.6
163.11311	3.2
164.04788	1.3
165.05133	0.4
173.73189	0.3
179.07150	0.3
193.01334	0.6
194.27641	0.3
207.10275	7.7
208.03716	2.0
208.54247	0.3
209.04164	0.7
223.06096	4.2
224.06464	2.0
225.06622	1.1
385.11325	0.8
386.11801	0.7
387.16589	100.0
388.16891	5.7
390.68207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.64647	0.4
61.98809	0.4
62.84117	0.4
69.99844	0.9
71.01392	0.7
79.95731	0.4
85.02941	0.7
89.02375	0.4
90.53813	0.4
96.58251	0.3
98.22030	0.6
106.97870	0.3
109.02937	1.1
123.00891	0.9
125.02438	0.6
137.02457	6.4
139.04013	0.6
149.02463	0.6
151.00363	11.4
151.03981	0.6
152.01094	1.3
152.04771	2.0
153.05559	0.6
153.09265	0.4
166.02713	43.4
167.03423	1.8
175.03954	0.7
177.01895	1.7
179.03604	0.5
179.07170	0.4
181.05063	62.1
182.05380	1.4
190.06342	0.6
191.03485	1.0
192.04279	0.9
193.05070	0.5
205.05087	0.7
205.08646	0.9
207.06631	0.9
242.01349	0.9
359.11279	1.5
378.10284	1.2
387.10806	8.9
388.10959	0.8
402.13168	9.1
403.13480	0.6
415.37216	0.3
417.15543	100.0
418.15915	4.0
499.64029	0.4
561.20215	0.7
565.41296	0.4
579.13629	0.4
855.27216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
59.07167	0.2
69.03448	1.7
71.01409	0.3
76.85172	0.3
79.95733	31.4
80.96512	6.8
87.00703	0.2
87.59644	0.2
93.03474	0.3
96.33825	0.2
96.96000	0.3
109.02940	0.7
111.04517	0.4
118.03006	0.2
121.03035	0.3
123.04507	0.4
133.02908	0.3
135.04518	0.3
148.05251	0.3
152.04698	0.3
174.05591	0.8
175.06352	3.1
177.05528	0.4
190.05141	0.4
191.07181	0.7
217.90738	0.3
222.09303	0.5
238.08731	0.7
253.11086	0.7
257.08273	0.4
265.07446	1.0
266.08203	18.9
267.08511	0.9
280.09814	1.1
281.10559	53.6
282.10876	2.9
283.09885	0.4
287.46753	0.2
296.12891	39.9
297.13330	2.2
300.02844	0.4
301.10788	5.6
302.11154	3.4
331.11877	2.4
332.12122	1.3
361.06104	0.7
375.10883	2.3
376.08542	100.0
377.08868	4.0
463.08859	0.3
504.34222	0.3
625.84717	0.3
830.40582	0.3
835.73920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	41.4
61.98825	1.3
69.03427	1.4
69.06019	7.5
69.06428	3.2
69.67908	1.2
71.01391	13.1
73.02564	1.0
73.02943	29.3
80.59990	1.3
83.01375	8.5
83.72967	1.4
85.00427	5.8
85.02936	5.7
88.53246	1.4
89.02420	4.1
93.03455	4.9
95.01382	1.4
97.02994	1.5
98.22659	3.4
101.02447	19.4
113.02454	9.8
119.03487	4.0
121.02923	5.0
122.03742	17.1
131.03505	2.3
133.02971	1.8
134.03754	1.8
136.01688	2.4
137.02396	2.6
143.03436	2.3
146.40158	1.4
149.02428	15.1
149.04552	4.3
150.03221	100.0
150.91185	1.4
151.03845	2.4
161.04591	8.4
164.04805	3.2
165.05563	92.8
166.05966	2.9
173.04585	1.5
178.05591	1.3
179.05609	1.4
180.04272	6.3
195.06618	58.6
196.06920	1.6
203.05717	1.9
221.06671	4.0
248.33310	1.5
324.09875	3.0
339.08499	2.5
339.12244	13.4
340.12976	1.7
369.13538	9.5
387.14865	2.0
531.19244	1.6
535.19818	3.7
561.19647	4.2
573.19720	8.8
583.21667	4.2
739.26428	3.0
745.26703	2.5
787.27649	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	73.8
60.64017	0.8
69.03439	1.1
70.23557	0.7
71.01379	23.0
73.02943	43.0
76.61630	0.8
83.01388	9.8
85.00420	1.4
85.02949	6.0
87.00859	1.4
89.02445	5.7
93.03474	4.0
95.01392	3.3
96.96005	1.2
99.00925	0.9
101.02445	27.9
108.02164	0.9
113.02449	13.0
119.03497	3.7
121.02967	5.3
122.03748	16.8
123.04551	1.4
125.02394	1.0
131.03493	2.5
133.02985	2.9
134.03770	1.0
136.01665	1.7
138.03346	1.1
140.70100	0.9
143.03496	2.8
143.18599	0.8
149.02449	22.2
149.04411	4.9
150.03223	100.0
151.03627	2.5
161.04550	10.7
162.03291	1.1
164.04803	4.3
165.05563	83.9
166.05859	1.5
177.05525	1.2
180.04253	5.9
181.05161	1.0
195.06618	44.0
203.05615	1.8
203.07281	1.1
221.06694	3.8
223.06099	0.8
238.06241	1.4
250.06477	1.1
269.07895	0.8
277.05045	1.5
283.09711	1.0
291.06424	1.0
294.05362	2.4
296.10092	0.8
300.22247	0.8
309.07678	2.9
313.10968	0.8
321.07486	1.1
324.10001	5.7
329.15875	1.0
339.08484	1.2
339.12341	13.7
357.13397	1.7
369.13416	7.5
449.07339	0.8
449.15994	1.7
461.16568	0.9
472.15039	1.0
487.17642	2.4
505.19046	2.0
513.17914	1.1
517.18726	7.6
535.19702	14.3
561.20117	2.8
573.19623	10.9
583.22284	1.6
661.22644	3.5
670.03418	0.9
679.23737	9.8
697.24683	5.6
709.24609	1.3
727.26245	1.5
739.26080	20.4
740.25677	2.2
745.27124	3.4
787.28235	18.6
788.28156	1.8
858.67090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24770	1.5
59.01378	53.1
61.98825	2.8
69.03458	1.9
70.41279	3.3
71.01382	44.1
72.99300	2.2
73.02939	9.9
83.01390	3.7
85.02951	11.0
87.00879	12.6
89.02444	36.3
95.01360	2.7
97.02948	4.6
99.00882	1.7
101.02439	39.0
113.02451	23.6
119.03503	5.9
125.02447	11.4
131.03470	4.8
143.03476	4.5
144.16800	1.8
144.59676	1.5
150.12343	1.6
161.04576	13.3
179.05650	8.6
185.89627	1.5
221.06644	5.0
235.08209	5.9
253.09229	7.1
263.07574	2.3
277.21683	25.8
300.66785	1.5
323.09912	3.9
338.89185	1.8
367.91281	1.9
383.11609	2.1
397.13519	38.7
398.13452	2.0
415.14600	19.1
485.15366	2.2
559.18793	100.0
560.19244	5.4
577.19922	35.5
675.35712	2.7
769.04913	1.7
837.41663	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98540	0.1
70.70323	0.1
108.90028	0.1
145.83592	0.1
166.76668	0.1
175.64966	0.1
230.67531	0.1
249.09262	0.1
262.06134	0.1
275.03635	0.1
275.06619	0.1
276.04022	0.1
277.04996	0.1
278.05508	0.1
288.65005	0.1
289.05173	0.3
290.05597	0.3
291.06207	0.2
292.06671	0.2
304.03931	0.2
304.07346	0.1
305.04242	0.2
305.08029	0.2
306.04599	0.2
306.08456	0.1
319.06033	0.5
320.06494	0.3
321.07001	0.2
322.07184	0.1
334.08643	0.1
335.09070	0.1
364.06003	0.1
366.07401	0.2
379.08218	2.6
380.08572	1.2
381.08853	0.8
382.08984	0.5
531.14349	0.1
775.21460	0.1
838.21039	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42574	0.3
59.01390	0.4
61.91162	0.3
61.98830	100.0
69.38370	0.9
70.89261	0.2
77.20395	0.3
84.15902	0.2
87.37485	0.3
144.24911	0.3
168.18909	0.2
206.15018	0.3
273.05753	0.3
289.05066	0.8
290.06021	0.9
304.03915	0.7
304.07233	0.3
305.04648	0.6
305.08313	0.4
319.06030	1.6
334.08563	0.5
364.06006	0.6
379.08228	17.7
380.08401	1.4
381.09021	0.4
382.09604	0.3
735.37109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98819	0.3
69.03436	0.4
71.01408	0.3
74.49123	0.3
83.01395	0.5
83.05034	0.3
84.02185	0.9
85.02952	13.4
87.04502	0.6
95.05032	0.5
97.02972	0.5
97.06587	0.9
98.21831	0.4
101.06068	0.3
111.08187	0.4
113.06075	0.6
118.57388	0.3
121.06583	0.3
125.06186	0.3
125.09723	0.5
137.09714	0.4
165.12848	0.9
169.12323	0.6
171.10280	2.6
183.13908	16.2
184.14261	0.3
191.01949	0.4
195.13895	0.6
197.11800	0.7
207.13863	0.4
211.13344	2.4
212.13756	0.3
221.11867	0.4
221.62727	0.3
223.17030	1.7
225.02440	0.3
229.14424	0.9
233.15521	1.0
239.16551	0.9
251.16507	4.4
265.18152	0.9
269.17548	1.8
273.05396	0.3
273.18738	0.5
275.03525	0.3
277.04922	0.5
289.05054	0.9
290.05850	1.0
291.06616	0.3
291.19553	1.4
304.03824	0.9
304.07410	0.5
305.04517	0.3
308.66940	0.3
309.20648	0.9
319.06180	1.7
319.09192	0.3
320.06653	0.6
325.20285	0.7
326.20605	0.6
327.21768	100.0
328.22119	5.1
330.74390	0.3
331.09250	0.3
379.08215	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98819	0.3
71.01379	0.6
71.44338	0.2
73.02959	0.2
80.02685	1.4
81.03445	1.3
82.35709	0.2
83.05024	5.8
84.02167	2.0
85.02954	0.4
93.03471	0.3
95.04462	0.2
95.04991	0.8
96.95992	0.4
97.06564	0.2
101.02456	0.3
105.28609	0.2
107.14529	0.2
109.06554	0.3
111.08185	0.3
113.79220	0.2
117.70407	0.2
125.06091	0.9
125.09711	0.2
128.77670	0.2
134.03870	0.2
135.08151	0.8
147.11798	0.3
163.11287	5.1
163.12639	0.3
165.12852	3.2
181.12323	0.8
191.10789	1.3
209.11819	100.0
210.12160	2.1
227.12881	49.3
228.13210	1.2
229.69746	0.2
259.02710	0.2
259.15475	3.2
497.92642	0.2
548.50635	0.2
590.75421	0.2
841.41095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.8
67.05899	0.5
71.01382	2.9
73.02940	6.5
83.01356	1.2
85.02933	0.7
89.02428	1.4
90.54951	0.5
90.59677	0.4
95.01391	0.6
96.96008	3.8
101.02456	4.7
109.05840	0.5
111.88190	0.5
113.02435	1.9
119.03458	0.9
125.02445	1.1
131.03516	0.8
133.03006	0.6
137.95285	0.5
143.03485	0.4
149.04544	1.0
151.00362	1.5
152.56154	0.6
161.02420	1.8
161.04532	1.5
168.06522	0.4
199.03966	1.4
201.01981	0.7
215.03506	1.0
216.23042	0.5
221.06511	0.6
227.03522	1.4
242.02158	3.2
243.02968	19.4
249.48027	0.5
255.03030	0.8
257.04477	6.0
257.90445	0.5
270.01675	4.9
271.02460	20.6
272.02707	0.7
285.04013	11.1
286.04810	3.6
289.11206	1.0
294.15036	0.5
299.01953	6.3
300.02655	4.0
314.04303	45.5
315.05020	8.8
333.11615	0.5
357.06009	0.8
477.10333	100.0
478.10660	5.0
685.24988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.9
61.98815	1.1
62.81889	0.5
66.92049	0.5
71.01371	0.6
71.43559	0.5
72.52992	0.5
75.27458	0.4
81.49253	0.4
85.02948	0.5
91.94630	0.4
100.88507	0.5
101.02428	0.7
123.92033	0.5
165.83815	0.5
246.06589	0.5
247.04031	1.7
247.07495	0.5
248.08353	1.4
249.05492	0.6
249.09195	1.6
258.03198	0.7
260.04724	2.2
261.05658	2.3
262.06314	1.9
263.07013	0.6
264.36301	0.5
273.05585	3.4
274.06277	1.0
275.03564	4.5
275.06873	0.8
276.04205	2.8
276.07932	0.8
277.05078	1.9
277.08624	1.8
288.04349	0.8
289.05121	9.4
290.05798	11.2
291.06445	4.9
292.07339	1.9
304.03729	7.9
304.07410	5.8
305.04507	5.9
305.08170	3.1
308.07050	1.0
319.06125	22.9
320.06650	5.6
334.08331	3.8
364.05862	6.2
366.07385	4.4
379.08209	100.0
380.08594	6.7
599.75531	0.7
743.75464	0.5
764.46460	0.5
805.21698	3.0
847.42902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.9
72.99304	0.6
77.58653	0.5
79.95739	18.9
79.96210	1.1
80.96544	1.1
85.02933	0.9
95.95238	4.4
96.96014	100.0
98.21881	2.0
98.67355	0.4
101.02431	0.5
110.97591	1.9
113.02465	0.7
122.97597	6.9
123.46921	0.4
132.30217	0.5
150.97083	7.6
152.98677	0.9
168.98114	0.7
172.98293	0.5
189.07832	0.4
194.99692	2.7
210.99185	22.2
211.99586	0.6
241.00163	0.8
268.99844	0.9
289.05017	1.0
290.05844	1.3
304.03772	0.8
304.07449	0.8
305.08160	0.7
319.06027	1.9
320.06693	0.5
379.08139	3.3
475.07806	1.7
597.28931	0.5
762.76398	0.5
855.16589	35.5
856.16931	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	12.8
69.03472	0.6
71.05018	8.9
73.57414	0.5
77.10842	0.4
80.02689	0.7
83.05023	2.8
85.06583	0.6
86.80881	0.5
93.03455	1.1
95.05007	0.6
97.06586	17.7
98.21891	1.4
104.20123	0.5
107.08595	0.5
111.08170	1.3
117.07117	0.9
118.40939	0.6
118.92937	0.5
119.04995	0.6
119.08684	4.1
119.66412	0.4
121.06592	24.5
123.08132	1.5
125.09727	10.2
133.92368	0.5
135.08165	3.3
137.09726	1.0
138.06877	1.1
138.79300	0.6
151.03879	0.6
151.11307	0.6
163.11320	0.5
163.48630	0.5
164.08543	0.5
171.10262	3.9
185.11829	22.7
185.62465	0.6
205.15956	1.3
209.11823	11.8
211.13383	11.9
216.60545	0.5
219.04440	0.6
221.15526	1.4
227.17970	0.8
231.13885	0.9
232.05367	0.6
233.15454	4.8
234.06879	0.8
235.13383	25.0
236.13734	0.7
245.06042	0.7
245.19237	2.7
247.03920	3.2
247.07790	0.7
248.04704	0.6
248.08434	2.0
249.05629	0.8
249.09216	1.8
249.14964	7.5
258.03125	1.2
260.04684	2.6
261.05576	3.8
261.18646	0.8
262.06485	1.6
263.07120	0.7
271.17120	0.9
273.05573	2.8
274.06168	1.1
275.03476	6.6
275.06448	0.8
276.04208	3.5
276.07721	0.9
277.05084	2.1
277.08658	1.7
279.19492	1.5
288.04330	0.9
289.05069	14.3
289.18079	38.8
290.05823	14.6
290.18466	1.1
291.06665	5.2
292.07391	2.0
302.05655	0.7
304.00293	1.0
304.03763	15.0
304.07416	7.8
305.04474	7.1
305.08157	4.7
306.08795	0.5
307.19135	76.2
308.07117	1.0
308.19482	2.1
319.06091	28.0
320.06775	4.3
334.08453	4.9
335.09283	0.6
336.06064	0.8
364.05826	7.0
366.07446	6.2
379.08203	100.0
380.08475	3.3
384.92383	0.5
512.04065	0.7
791.66345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	18.8
71.01380	0.3
71.13010	0.3
75.01446	0.2
84.95105	0.2
85.02960	0.2
87.00880	0.3
88.98801	100.0
89.02431	0.7
89.99117	0.4
97.36313	0.2
97.82860	0.2
101.69328	0.2
113.02463	0.2
149.68503	0.2
179.05739	0.2
245.42041	0.2
260.04642	0.2
271.49500	0.2
273.05798	0.2
275.03802	0.2
275.07123	0.2
289.05002	1.0
290.05777	1.2
291.06564	0.7
304.03751	0.9
304.07416	0.5
305.04660	0.3
305.08099	0.4
319.06110	2.2
320.06750	0.6
334.08542	0.3
352.48697	0.2
364.05853	0.7
366.07269	0.6
379.08206	9.4
380.08685	1.1
381.08780	0.5
775.20715	0.4
853.25708	0.2
880.01031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.25178	0.6
93.61170	0.1
149.56325	0.1
163.17644	0.1
168.08844	0.1
202.66655	0.1
260.04590	0.1
261.05487	0.2
273.05453	0.2
275.03464	0.3
276.04156	0.3
277.05237	0.1
289.05142	0.4
290.05710	0.7
291.06311	0.4
292.06601	0.2
293.34369	0.1
297.48672	0.1
304.03830	0.4
304.07291	0.2
305.04230	0.5
305.07874	0.3
306.04572	0.2
307.04791	0.2
307.08182	0.1
319.06146	0.7
320.06564	0.7
321.06863	0.3
334.08377	0.2
335.08624	0.1
364.05981	0.2
366.07339	0.3
379.08206	5.5
380.08560	2.5
381.08810	1.9
382.09039	0.8
475.53220	0.1
527.63190	0.1
805.22809	0.2
808.23053	0.1
868.21228	0.2
869.75122	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76540	3.3
71.01379	16.3
73.02951	3.2
74.69376	2.6
85.02946	5.2
87.00877	3.6
89.02448	17.7
91.31061	2.6
101.02451	25.2
101.50384	2.3
113.02435	10.2
119.03445	4.0
125.02431	6.1
128.67445	2.3
133.02725	2.8
143.03506	2.5
149.43185	2.6
161.04530	6.7
181.78796	2.6
201.10764	2.7
215.52354	2.4
221.06703	3.9
235.08040	3.2
277.21667	12.0
323.09692	3.9
397.13525	17.4
415.14532	7.6
461.17239	2.6
559.18756	100.0
577.19830	29.7
837.41064	30.2
873.38666	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30501	0.6
68.31767	0.5
70.38783	1.1
75.00884	1.4
87.38004	0.7
98.21876	0.6
103.00445	20.1
103.01496	100.0
247.03844	0.6
249.09103	0.6
260.04837	0.7
261.05386	0.7
273.05545	0.9
275.03549	1.8
276.04382	0.7
289.05103	2.9
290.05795	3.9
291.06696	1.3
292.07394	0.6
304.03839	2.1
304.07468	1.9
305.04617	1.6
305.08099	1.3
307.09586	0.6
319.06207	7.2
320.06821	1.5
334.08334	1.3
338.07718	0.6
364.05841	2.1
365.33734	0.6
366.07333	1.4
379.08237	68.2
380.08591	4.4
775.21222	1.9
865.49841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.4
72.00894	0.2
73.02946	0.6
76.09824	0.2
78.01063	0.2
85.02952	12.0
86.03301	0.2
89.02451	0.2
99.00871	0.3
100.32309	0.2
101.02442	4.7
101.06096	1.4
103.04021	5.9
144.03014	1.2
147.06638	100.0
148.06981	2.5
149.07121	0.3
165.05669	0.2
181.05107	0.2
195.57919	0.2
261.08655	0.4
263.10364	0.2
279.09814	1.1
294.35117	0.2
297.10822	0.5
306.53430	0.2
340.09116	0.2
357.97232	0.2
427.17206	12.1
428.17596	0.9
429.17242	0.2
451.13193	0.2
463.08655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.8
70.54543	1.0
71.01379	0.8
73.02938	1.3
74.44244	0.6
85.02934	1.5
87.04464	1.0
97.06553	0.8
106.08055	0.7
113.09736	6.0
113.19162	0.7
115.07707	0.7
125.09751	3.2
125.10538	0.7
127.11295	4.1
129.09200	1.3
130.31557	0.6
137.09685	1.2
141.09267	1.1
151.11308	1.2
155.10803	9.9
160.73717	0.6
165.09259	0.9
171.10272	12.0
172.33138	0.7
181.12335	0.8
185.11832	3.5
195.10249	1.4
195.61676	0.7
197.11807	1.5
199.09673	0.9
201.11316	21.7
211.13417	2.1
213.11314	13.4
218.87000	0.8
227.12808	0.9
229.14479	1.0
242.56827	0.7
291.19699	6.5
309.20691	9.4
319.06161	1.3
327.21759	100.0
328.22055	4.1
379.08191	2.6
399.74619	0.7
413.45987	0.9
627.45050	0.9
726.14856	0.7
738.39746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62359	0.2
69.74210	0.7
71.01376	1.6
72.21100	0.2
73.02964	0.3
79.95736	18.9
80.96523	1.3
81.71928	0.2
82.85916	0.2
85.02937	0.4
87.00859	0.6
94.98085	0.7
95.01411	0.2
95.94601	0.3
95.95233	11.1
96.96011	100.0
97.95946	0.3
101.02444	1.6
110.97566	0.4
113.02445	0.3
122.97582	1.2
129.16580	0.2
130.70396	0.2
135.59367	0.2
138.97058	1.1
143.03436	0.3
150.97067	2.0
152.98636	6.8
155.97356	0.2
180.98146	2.5
196.45999	0.2
199.27847	0.3
210.99055	0.3
213.00822	0.4
225.00760	3.3
241.00232	19.7
243.01746	0.4
256.99753	0.4
259.01141	0.2
271.01273	0.7
289.05133	0.4
290.05844	0.3
299.00778	1.1
305.08182	0.3
319.06119	0.8
352.18900	0.3
379.08142	0.9
505.08701	3.8
885.17633	30.6
886.17645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72735	2.8
66.64624	2.6
69.30001	9.6
69.30412	4.6
93.03442	2.6
96.96011	5.4
114.34076	2.8
121.02947	19.3
130.41116	3.1
175.00325	5.2
244.14487	2.7
245.08197	3.4
255.02899	6.6
271.02515	30.5
273.11273	10.2
298.98798	5.5
299.01962	52.6
299.09152	10.9
300.02695	27.7
301.03418	3.3
313.10785	3.2
313.70358	2.8
317.10220	21.6
325.03439	7.0
345.09732	4.5
423.14587	6.4
443.20703	5.5
449.12415	6.0
463.14066	5.4
466.70709	2.9
467.13434	28.3
584.47827	3.2
592.23016	8.8
593.23798	7.4
594.12299	8.2
595.12939	11.7
728.24213	3.4
783.82196	3.1
887.33411	100.0
887.50903	5.3
888.33179	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56977	0.7
69.57350	0.8
71.01376	1.0
80.91093	0.4
82.95417	1.1
84.95116	3.4
85.00437	1.3
85.02884	0.5
89.79599	0.4
95.93349	0.4
98.21826	0.7
109.02969	0.4
219.04485	0.6
233.06175	0.5
234.06885	0.5
247.04076	1.9
248.08450	1.7
249.05534	0.9
249.09261	1.8
251.08723	0.4
258.03137	1.4
260.04642	1.9
261.05573	2.9
262.06448	1.2
263.07324	0.6
273.05539	2.0
274.06281	0.7
275.03540	4.7
275.06812	0.9
276.04218	2.3
276.07819	0.8
277.05051	2.2
277.08603	0.7
289.05072	10.9
290.05817	9.6
291.06598	4.3
292.07336	1.3
293.07950	0.5
302.05893	0.7
304.03781	10.9
304.07425	4.9
305.04504	4.5
305.08151	3.4
306.05405	0.6
306.08945	0.6
308.06845	1.1
319.06104	22.4
320.06680	3.0
334.08392	3.0
336.06348	0.5
364.05859	6.6
366.07474	4.5
379.08212	100.0
380.08591	5.1
513.79669	0.4
847.22107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65533	0.1
71.01414	0.1
73.02947	1.1
95.61044	0.1
99.00891	0.6
99.92587	10.4
100.92608	0.2
114.93433	0.6
116.92867	100.0
117.01942	1.8
117.92873	2.1
144.61125	0.1
219.89381	0.1
275.03403	0.1
277.05023	0.2
289.05051	0.3
290.05829	0.3
304.03598	0.2
304.07025	0.1
305.04443	0.1
319.06113	0.4
364.05844	0.2
379.08261	3.0
380.08627	0.2
550.15131	0.1
692.61639	0.1
775.20502	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.6
69.31210	2.9
71.01380	35.9
71.11453	0.5
72.99302	0.9
73.02946	14.3
74.60455	0.6
75.00839	0.8
83.01379	9.3
85.02951	24.5
86.00101	1.3
87.00870	2.6
89.02438	3.1
95.01380	4.0
97.02940	1.8
99.00871	5.5
100.60874	0.6
101.02445	26.3
104.19173	0.6
111.00888	7.7
113.01694	1.2
113.02442	13.8
113.42797	0.6
121.06210	0.7
125.02367	1.5
129.01929	1.0
131.03502	1.7
143.03514	1.2
159.02942	3.1
161.04518	4.6
184.83878	0.6
261.90591	0.6
267.55905	0.7
272.16953	0.6
454.76016	0.7
603.42047	0.9
765.47974	13.0
766.47882	0.9
897.52112	100.0
898.52582	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.251
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73836	0.1
71.01378	0.6
80.13144	0.1
85.02950	1.2
85.11548	0.1
89.02444	0.4
90.62650	0.1
101.02431	0.2
113.02444	0.9
120.92417	0.1
129.01903	0.1
131.03473	0.6
133.05072	0.2
149.04446	0.2
219.04512	0.5
219.08009	0.2
221.06052	0.2
232.05270	0.5
233.06088	0.5
234.06810	0.4
245.06123	0.5
246.06807	0.3
247.03946	2.2
247.07701	0.4
248.04515	0.3
248.08400	2.3
249.05598	0.6
249.09174	1.9
258.03204	0.8
260.04709	2.3
261.05515	3.6
262.06290	1.9
263.03351	0.1
263.07321	0.7
264.07800	0.2
273.03366	0.1
273.05554	3.5
274.06244	1.0
275.03537	5.4
275.07098	1.0
276.04263	2.9
276.07877	1.2
277.05063	2.2
277.08688	1.5
278.09399	0.1
288.04428	0.6
289.05060	12.9
290.05820	13.0
291.06586	4.7
292.07336	1.8
293.04944	0.2
293.07941	0.6
302.05841	0.8
303.06549	0.3
304.03766	10.7
304.07413	6.8
305.04526	5.4
305.08176	4.1
306.05197	0.3
306.08942	1.0
307.09543	0.2
308.07025	1.0
319.06091	27.6
320.06805	4.2
321.03848	0.2
321.07462	0.3
334.08450	4.9
335.09283	0.9
336.06335	0.7
338.07870	0.6
364.05865	7.5
365.06311	0.3
366.07416	6.1
367.07959	0.2
379.08200	100.0
380.08585	3.7
395.11789	1.2
398.54144	0.1
496.60156	0.1
527.16327	0.4
775.21075	0.6
840.87445	0.1
907.25079	7.2
908.25677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.2
81.03456	0.8
83.05022	2.3
84.06876	0.2
85.02950	0.4
97.06597	0.2
113.92174	0.2
125.09717	1.7
127.11292	2.4
146.48941	0.2
155.14398	0.9
165.12828	0.6
167.14423	1.4
168.06177	0.1
171.10274	2.7
180.56750	0.2
183.13858	1.2
193.12337	0.5
198.20338	0.1
205.34320	0.2
207.15201	0.2
209.11848	2.5
211.13396	7.4
212.13730	0.2
224.17732	0.3
225.16074	2.1
229.14433	100.0
230.14769	1.7
290.59055	0.2
367.26929	0.3
451.32904	1.7
659.48755	0.4
677.49646	34.0
678.49994	1.9
716.33362	0.2
747.41760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24767	0.7
68.99809	1.9
71.01379	30.9
72.99326	1.0
73.02943	13.8
75.00852	0.9
78.23650	0.7
83.01379	4.7
85.02943	15.2
87.00854	2.2
89.02428	5.2
95.01379	2.2
99.00893	4.7
101.02435	30.3
110.10405	0.8
113.02431	13.3
113.30940	0.9
119.03513	2.3
125.02449	1.2
131.03519	1.1
143.03477	1.7
149.02415	0.8
150.51768	0.8
159.02980	2.4
161.04510	9.9
205.05064	1.8
209.08156	1.6
209.15414	7.1
221.15591	0.8
304.06741	0.9
353.19675	26.4
371.20743	40.8
413.21786	100.0
414.22061	2.1
483.52499	0.9
708.43353	1.1
895.49341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34425	0.6
69.03457	1.3
71.01384	18.9
71.44433	0.5
72.00926	0.6
72.99305	0.8
73.02949	49.0
74.02480	2.3
82.06614	1.4
83.01393	12.7
85.02962	4.2
87.00892	1.1
88.26475	0.5
89.02447	6.9
91.70197	0.5
93.03468	2.6
95.01407	1.2
96.95988	1.3
97.02996	0.8
100.19082	0.5
101.02451	37.4
106.04280	0.7
107.05023	0.8
111.02022	1.1
112.02795	0.6
112.07682	0.7
113.02454	14.9
114.09283	0.5
119.03542	4.9
119.05029	6.2
121.02966	0.6
125.02441	2.0
127.08823	0.7
129.10362	10.3
130.08731	0.5
131.03497	3.8
133.05325	0.5
134.06142	7.1
136.07697	3.6
139.08827	0.9
140.07181	0.6
143.03528	5.2
143.11894	1.0
149.03462	0.9
149.04568	9.9
150.03253	0.6
155.03522	1.3
155.08269	11.6
157.13469	6.3
161.04564	14.9
163.04016	3.8
164.07214	0.7
165.05586	0.7
169.09842	1.3
179.15550	1.5
180.06665	16.2
181.09859	0.7
187.10867	1.8
191.05670	0.8
203.05652	2.0
207.07683	0.6
221.06639	4.6
223.14549	2.0
225.19733	1.9
231.07677	0.5
237.90335	0.5
247.14578	1.5
249.16068	7.8
268.20294	1.3
275.14075	1.1
287.30951	0.6
293.15100	8.9
320.27084	2.2
343.20453	0.8
344.16162	5.3
360.22925	3.3
361.80728	0.5
364.25885	1.4
377.26349	0.5
387.21710	1.1
532.70203	0.6
545.33472	100.0
546.33765	4.5
741.96655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53618	1.5
71.01377	1.0
71.08429	0.3
80.54304	0.3
89.02440	1.1
99.04526	1.3
101.02441	1.6
125.02456	2.0
134.39047	0.3
145.26692	0.3
161.04539	0.7
167.27283	0.3
233.06119	0.5
247.03949	1.7
247.07573	0.4
248.04793	0.3
248.08315	2.1
249.05502	0.7
249.09154	1.7
258.03293	0.4
260.04797	1.9
261.05484	2.7
262.06256	2.0
263.07050	0.9
273.05609	3.4
274.06284	1.0
275.03510	5.4
275.06763	0.7
276.04251	2.8
276.07901	1.4
277.05051	2.7
277.08670	1.4
288.04376	0.5
289.05069	10.7
290.05875	12.3
291.06647	4.6
292.07361	1.3
302.05734	0.6
304.03796	9.1
304.07443	5.7
305.04541	4.5
305.08182	4.0
306.05243	0.4
306.08902	0.8
308.07059	0.6
319.06113	24.9
320.06857	4.3
334.08472	5.2
335.09146	1.1
336.06277	0.8
338.08124	0.4
349.99832	0.4
364.05890	7.5
366.07443	6.5
379.08231	100.0
380.08655	1.8
387.10318	0.4
629.53174	0.4
643.16620	0.6
757.19409	1.9
775.20935	9.9
776.21027	0.7
817.21558	1.7
919.24976	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29842	1.8
71.01392	0.8
78.45942	0.4
81.60708	0.4
85.02965	1.3
94.13595	0.4
108.02197	0.6
131.03508	0.4
134.03813	0.4
150.03316	0.7
152.61302	0.4
171.56339	0.4
173.04462	0.5
190.53105	0.5
219.04390	0.5
220.05202	0.5
221.06055	2.1
225.05586	0.6
229.31676	0.5
235.03952	2.2
237.05617	1.2
248.04703	2.1
249.05624	5.9
250.06339	2.8
251.03642	0.5
251.07156	0.5
255.06729	0.6
261.05722	1.1
262.05994	0.5
263.03653	1.0
263.07153	3.2
264.04239	2.6
264.07935	1.3
265.05051	7.6
266.05899	0.9
275.03604	0.6
276.04285	0.7
277.05048	4.2
278.02686	0.4
278.05856	0.7
279.06686	2.1
279.10187	0.6
280.07361	0.5
281.08203	1.0
289.04889	0.8
290.05899	2.1
291.03177	0.9
291.06595	1.6
292.03809	16.9
292.06961	0.8
293.04559	12.9
301.10773	0.4
305.04581	1.0
305.07843	0.5
306.05444	0.6
307.06146	19.5
307.09430	0.8
308.06891	14.1
311.09207	0.6
320.03223	1.5
321.04086	2.9
321.07260	0.5
322.08453	23.5
323.09229	17.5
333.04111	0.5
335.05600	5.8
336.06317	5.1
336.38712	0.5
351.08725	58.2
352.09094	1.2
380.05313	1.4
395.07706	100.0
396.08057	2.2
503.35342	0.4
832.05908	0.5
922.96228	0.5
923.24658	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.532
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67629	0.6
67.01866	0.8
69.03439	0.9
69.12755	1.5
69.13167	2.5
70.24411	0.6
71.01382	33.6
72.99294	1.4
73.02946	12.1
83.01383	9.0
85.02953	24.9
86.00060	1.7
87.00854	3.0
89.02455	3.8
95.01393	4.6
97.02939	1.6
99.00894	4.7
101.02450	27.3
103.82262	0.7
105.16273	0.6
111.00873	5.4
112.01767	0.9
113.02454	13.6
116.74548	0.7
119.03510	1.0
125.02413	1.5
127.66784	0.6
129.01926	1.7
131.03513	0.9
143.03447	0.9
159.02963	2.7
161.04532	4.5
200.57593	0.8
215.21225	0.6
271.26392	0.7
290.72141	0.8
340.11627	0.7
456.86099	0.8
638.70844	0.7
765.47931	9.5
927.53223	100.0
928.53900	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49357	0.6
69.28690	0.5
70.97447	0.9
73.14117	0.6
78.95902	25.6
96.96967	2.3
99.91768	0.5
113.38469	0.6
142.51073	0.5
152.99590	39.3
169.28445	0.6
171.00615	7.4
227.03342	2.7
245.04295	25.4
253.21750	10.3
255.23285	1.8
481.25711	100.0
482.26056	2.5
483.27121	1.6
687.40186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59281	0.5
69.24334	2.9
77.55721	0.5
78.95908	12.0
94.91061	0.5
136.99875	0.5
148.54559	0.5
149.64708	0.5
152.99590	22.5
171.00558	0.8
200.47246	0.6
208.93382	0.5
227.03325	2.6
245.04300	0.7
255.23291	70.4
256.23645	2.1
432.49475	0.5
448.29922	0.6
483.27277	100.0
484.27734	3.4
587.32556	0.5
910.39764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60888	0.6
135.75476	0.2
139.81297	0.2
144.09697	0.2
164.32507	0.2
194.66254	0.2
219.04427	1.0
221.05991	0.2
231.04507	0.2
232.05255	0.7
233.06038	0.9
234.06712	0.5
237.05467	0.4
245.06102	0.5
246.06813	0.4
247.03995	3.5
247.07629	0.5
248.04831	1.3
248.08401	2.2
249.05577	1.8
249.09206	2.1
253.05072	0.4
258.03235	1.2
260.04733	2.0
260.07077	0.2
261.05545	3.8
262.06314	1.7
263.07098	1.0
264.07855	0.2
265.04950	0.2
273.05566	3.7
274.06332	0.9
275.01181	0.2
275.03510	7.1
275.07053	1.0
276.04269	4.8
276.07843	1.0
277.05069	2.7
277.08624	1.5
288.04175	0.8
289.05084	11.1
290.05838	11.6
291.03268	0.3
291.06607	4.6
292.07291	1.5
293.04849	0.2
293.08200	0.5
302.05951	0.4
304.03763	13.8
304.07407	5.0
305.04526	6.3
305.08176	2.8
306.05466	0.4
306.09000	0.6
308.06924	0.7
315.24780	0.2
319.06100	29.4
320.06857	2.9
321.04041	0.6
321.07477	0.2
334.08386	2.1
335.05548	1.5
335.09381	0.8
336.06305	0.6
338.07959	0.3
349.03427	0.3
351.05121	0.3
364.05902	5.9
366.07446	3.5
379.08218	100.0
380.08646	1.9
476.78723	0.2
509.45868	0.2
742.23633	0.2
784.54034	0.2
963.64160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.7
75.44876	0.2
81.72857	0.2
85.02954	1.9
89.02470	0.5
98.62914	0.2
113.02460	1.4
131.03564	0.7
219.04449	0.5
219.08205	0.2
232.05307	0.5
233.06177	0.5
234.06860	0.6
245.05981	0.4
247.03996	1.8
247.07642	0.4
248.04648	0.4
248.08438	1.9
249.05579	0.6
249.09181	2.1
253.05148	0.4
258.03265	0.9
260.04752	2.1
261.05554	2.9
262.06332	1.9
263.07269	0.7
270.25635	0.2
273.05557	3.5
274.06433	1.0
275.03497	5.9
275.07086	1.0
276.04297	3.1
276.07938	1.2
277.05087	2.5
277.08591	1.2
278.09384	0.2
288.04282	0.9
289.05072	12.5
290.05856	12.7
291.06631	4.7
292.07364	1.9
293.08188	0.4
302.05762	0.6
303.06329	0.3
304.03781	12.3
304.07434	7.4
305.04553	5.6
305.08203	3.9
306.05347	0.5
306.08984	1.0
308.06918	0.6
319.06122	27.8
320.06821	4.2
321.04120	0.3
334.08469	4.7
335.09210	0.8
336.06366	0.6
338.07901	0.5
364.05893	7.3
365.06339	0.4
366.07455	5.3
379.08228	100.0
380.08569	3.0
395.11972	1.7
539.03174	0.2
557.17340	2.3
903.18854	0.2
937.26178	7.8
938.26361	0.5
951.11786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68606	0.5
69.35410	2.9
69.97885	0.7
71.01385	0.8
73.02937	0.8
83.05020	0.9
85.02942	0.7
90.76875	0.6
95.56171	0.6
101.02440	0.7
150.03238	0.8
160.01634	0.7
165.05510	1.1
175.03928	0.6
345.66620	0.6
400.85599	0.6
405.84348	0.7
429.48926	0.6
903.66547	2.5
939.64178	100.0
940.63818	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5079
Annotation	Carnosifloside III
Peak:m/z	Relative Intensity
67.01892	0.4
68.99801	0.3
69.03461	1.8
71.01380	62.4
71.05022	0.7
72.99307	2.3
73.02943	11.9
75.00870	0.5
76.99017	0.2
81.03458	3.3
83.01387	8.7
83.05030	0.9
84.02175	0.6
85.02948	31.6
86.00138	0.4
87.00877	3.5
87.04521	0.3
87.45737	0.2
89.02444	28.6
95.01385	4.7
97.02950	2.9
99.00882	3.4
99.04515	6.7
101.02442	40.4
103.04026	0.7
109.02950	12.6
111.00887	0.4
113.02448	20.0
115.04015	1.1
119.03502	9.4
125.02472	1.2
127.04015	9.8
127.04971	0.4
129.01964	0.5
131.03508	1.2
131.74355	0.2
140.17484	0.1
143.03523	1.9
145.05067	7.3
149.04565	0.4
159.02985	1.7
159.47173	0.2
161.04558	8.6
163.06152	0.3
168.92595	0.2
179.05617	2.2
187.15016	0.2
221.06580	0.4
261.09769	0.4
284.06131	0.2
289.09369	1.0
307.24338	0.5
439.32178	3.6
445.12924	0.2
451.32117	0.4
469.33286	0.3
471.35529	1.4
507.37366	0.2
515.33710	0.2
541.35400	0.4
581.38470	2.3
597.52264	0.2
617.40552	9.2
623.61926	0.2
779.45844	56.1
780.46191	1.5
939.17834	0.2
941.51093	100.0
942.51428	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89067	0.3
71.01407	0.5
71.43204	0.4
81.03457	4.8
83.05019	11.9
85.02946	0.7
107.06161	0.5
108.04541	0.4
125.07201	0.8
134.03706	0.4
149.02437	0.4
150.03214	1.3
165.05501	0.6
191.02007	0.4
195.06630	0.4
207.14960	0.8
224.17705	1.8
225.16072	8.6
242.18697	0.5
245.33192	0.4
280.73816	0.4
309.21896	0.7
317.91867	0.4
341.29462	0.8
367.27100	1.2
411.60944	0.4
418.82404	0.4
433.31741	0.8
450.34286	1.1
451.32825	7.3
550.44073	0.5
567.46277	0.7
578.12122	0.4
581.04669	0.4
677.49744	2.0
776.59528	0.6
903.66492	100.0
904.66772	5.4
946.66937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.3
71.01378	19.5
72.99300	1.3
73.02943	3.8
76.40359	0.9
83.01393	2.7
85.02946	4.5
87.00883	5.5
89.02441	19.2
91.04004	0.9
92.40614	0.9
95.01386	1.2
97.02962	3.8
98.21846	4.2
101.02435	17.4
103.03931	0.9
113.02439	8.3
113.09726	8.2
119.03502	6.6
125.02449	7.8
143.03513	2.2
161.04498	3.4
170.24715	1.0
179.05559	1.7
195.13858	1.1
212.32239	0.9
221.06593	1.0
235.08171	8.7
253.09245	2.1
255.23279	52.3
263.07416	1.0
287.07645	3.1
293.21225	46.1
294.21317	1.3
305.08765	3.5
379.96429	1.2
397.13495	100.0
398.14209	1.2
415.14526	29.5
482.27600	1.0
631.62091	1.0
653.37476	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.16729	1.9
69.92175	2.9
69.92506	4.8
101.21659	2.3
113.09731	15.1
138.26958	2.2
149.09624	2.6
183.13931	5.5
195.13887	2.5
275.20248	2.7
293.21240	66.1
407.19559	2.7
487.54703	2.5
496.13678	5.2
497.14755	3.0
511.15997	4.2
544.15637	2.3
567.18994	4.8
571.19019	3.0
598.20276	2.8
599.21552	19.4
657.22089	13.0
760.78473	2.6
805.79376	2.5
854.43481	3.0
951.43896	100.0
952.43646	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68870	1.6
69.24114	4.7
69.24512	2.8
71.01381	42.0
73.02941	14.6
73.35545	1.4
79.10337	1.4
83.01394	6.8
85.02954	17.3
87.04522	3.5
89.02448	15.8
93.03469	2.5
95.01379	3.0
99.00861	3.8
101.02444	31.1
101.06086	5.4
107.07084	1.5
113.02448	20.7
119.03494	6.1
131.03502	1.7
134.03740	1.7
143.03517	1.9
147.65230	1.3
159.03032	1.7
161.04518	11.4
173.04517	1.8
179.05592	1.8
255.19513	3.9
279.68741	1.7
287.30292	1.7
292.73492	1.6
297.20758	2.5
315.18076	2.0
333.00052	1.8
399.23886	100.0
400.24045	2.7
417.24887	62.6
418.25238	2.1
447.22635	2.0
459.26007	86.1
460.26215	2.6
503.33969	2.1
539.28784	1.7
612.08368	1.7
762.74243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04168	0.5
70.04484	0.7
78.95903	22.6
93.99054	0.3
94.99055	0.5
95.71423	0.4
98.21966	0.7
100.77953	0.4
104.97492	1.1
110.98533	14.8
137.00078	0.4
152.99602	0.7
167.01137	14.5
185.02164	6.5
188.05623	0.4
199.33209	0.4
233.22710	0.7
259.20737	0.6
277.21716	92.3
278.21988	1.4
302.63367	0.4
445.23581	100.0
446.23862	1.5
897.45264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29223	0.5
71.01379	0.4
81.03455	5.1
83.05025	13.0
85.02961	0.7
93.03458	0.3
108.04562	0.4
125.07201	0.9
126.05582	0.4
173.04500	0.3
207.15050	0.8
223.06262	0.4
224.17686	1.8
225.16077	7.4
251.14464	0.3
273.40063	0.3
291.30981	0.3
309.21857	0.7
333.22900	0.4
341.29138	0.9
367.27005	0.8
385.28299	0.3
433.31830	0.8
450.34341	0.8
451.32867	7.1
550.43030	0.6
567.45862	0.6
676.50983	0.5
677.49664	1.5
776.60077	0.6
903.66510	100.0
904.66937	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.66
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28312	3.6
81.03442	2.1
83.05038	2.6
85.02951	3.9
89.02481	2.1
91.92873	1.8
96.95998	1.9
101.02417	3.1
113.06130	1.9
148.99614	2.0
163.07646	3.8
163.61086	1.8
173.04541	2.1
233.23325	1.9
332.78671	2.1
523.21924	2.8
524.22418	2.8
905.67358	16.8
906.67297	23.4
966.66077	100.0
967.32458	2.4
967.66547	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.4
69.03444	1.5
71.01380	22.0
72.99306	1.0
73.02937	3.9
75.00874	0.5
81.03452	1.2
82.25192	0.2
83.01375	2.5
84.14678	0.3
85.02950	5.0
87.00879	4.5
89.02441	19.9
91.04005	0.5
93.03505	0.3
95.01396	1.4
95.05024	0.6
97.02945	4.7
99.00880	1.6
99.04506	0.4
101.02437	17.2
102.02879	0.3
103.04057	0.4
109.02986	0.4
111.00932	0.4
111.04508	0.7
113.02448	9.6
115.04021	0.5
119.03489	5.5
121.02942	0.8
125.02444	8.1
125.06058	0.5
127.07619	0.3
131.03491	1.0
133.05064	1.0
139.04037	1.0
141.01926	0.8
143.03510	3.4
148.08954	0.4
149.04614	0.5
150.10507	0.4
161.04550	4.3
163.11278	0.5
165.12852	9.1
167.03505	0.7
169.05045	0.4
179.05621	4.3
185.04550	0.5
191.14447	0.4
199.06088	0.3
217.07111	0.5
217.15875	0.4
219.05067	0.4
221.06635	1.5
233.22826	0.3
235.08223	9.1
245.06746	0.7
247.20647	4.6
253.09271	1.4
263.07791	0.8
273.18643	2.6
275.20197	0.4
277.21722	55.1
278.22061	1.1
287.07748	3.3
291.19669	32.1
292.19968	0.6
305.08801	3.8
323.09692	1.4
379.12759	0.4
397.13483	100.0
398.13861	0.8
415.14551	32.6
416.14877	0.4
516.18024	0.3
530.78394	0.4
639.32605	0.3
675.35980	5.6
767.76312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47693	0.4
98.22666	0.9
114.78219	0.4
142.68945	0.4
166.89767	0.4
195.13930	1.7
277.21738	1.4
295.22736	3.6
412.15680	0.6
427.13477	0.6
441.16193	0.5
442.16492	1.4
453.12067	1.2
454.09232	0.6
455.17236	5.5
456.17734	0.6
457.18884	2.8
459.17160	0.9
467.13379	0.6
469.11560	1.5
470.16010	0.9
473.18399	7.2
474.15494	1.3
481.11801	1.2
482.12317	0.5
483.12909	0.5
485.18143	1.5
496.13773	6.3
497.11020	1.5
510.15271	0.7
511.16177	8.4
512.13354	12.5
513.13885	2.0
515.19684	0.6
526.14954	7.1
527.15692	11.2
528.16571	2.7
529.17310	1.4
543.19739	0.8
555.15131	0.7
559.18182	0.5
560.15485	1.5
583.18396	4.1
587.18768	1.2
597.19916	3.4
599.20618	5.1
613.19318	1.1
614.20178	100.0
615.20837	19.5
616.21619	0.7
629.22382	3.8
631.20422	1.1
645.22131	5.6
646.19574	3.2
673.21625	4.5
674.22107	0.6
704.19672	0.4
741.74017	0.6
865.43890	0.7
909.42944	0.9
969.44556	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20448	2.9
71.08725	0.5
85.02977	0.6
94.83273	0.5
102.47233	0.6
113.02470	0.8
117.74374	0.5
147.61794	0.6
247.04172	0.9
248.08540	1.6
248.92337	0.5
258.03345	0.8
260.04782	1.5
261.05505	1.2
262.06189	0.6
273.05548	2.2
275.03546	3.6
275.06921	1.1
276.04187	1.4
276.07843	1.2
277.04913	0.6
277.08789	1.2
289.05109	6.6
290.05862	8.0
291.06500	2.8
292.07355	1.5
304.03790	5.8
304.07416	5.7
305.04459	3.6
305.08197	3.4
306.08948	0.8
319.06097	14.8
320.06741	2.8
334.08536	4.2
335.09402	0.7
364.05859	5.8
366.07361	4.5
379.08209	100.0
380.08572	1.9
395.11844	1.3
514.58167	0.6
527.16730	0.8
775.20630	3.2
822.57544	0.8
907.25153	40.3
908.25165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34047	7.5
71.01008	3.1
71.01379	39.3
71.82325	1.9
72.75979	1.7
73.02945	15.1
83.01395	4.9
85.02941	19.9
89.02435	29.8
93.49479	1.6
95.01380	5.4
101.02433	33.4
103.49643	1.7
113.02440	32.9
119.03529	8.6
143.03517	3.8
161.04543	9.3
179.05623	1.9
198.40067	1.9
381.22809	75.1
399.23853	53.7
441.24899	100.0
446.59784	2.0
563.61121	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34047	7.5
71.01008	3.1
71.01379	39.3
71.82325	1.9
72.75979	1.7
73.02945	15.1
83.01395	4.9
85.02941	19.9
89.02435	29.8
93.49479	1.6
95.01380	5.4
101.02433	33.4
103.49643	1.7
113.02440	32.9
119.03529	8.6
143.03517	3.8
161.04543	9.3
179.05623	1.9
198.40067	1.9
381.22809	75.1
399.23853	53.7
441.24899	100.0
446.59784	2.0
563.61121	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15746	0.3
73.60663	0.3
79.95737	3.4
80.96510	1.5
120.38403	0.3
172.62311	0.3
220.05537	0.3
221.06079	0.6
222.06894	0.5
245.06042	0.3
246.06937	0.4
249.05548	7.0
250.86772	0.3
262.06390	0.6
263.07071	2.2
264.07922	0.4
265.05112	0.6
266.05927	0.4
274.06339	0.6
275.07199	0.6
277.05038	9.5
291.06662	3.4
292.07431	1.0
293.04587	5.0
293.07791	0.3
303.03061	1.1
304.03662	0.3
307.06110	0.8
309.04028	1.0
319.05896	0.6
320.03278	4.5
321.04013	9.1
322.04456	0.3
335.05591	17.6
336.06375	18.1
351.08722	76.4
352.09027	1.7
379.08078	0.7
431.04391	100.0
432.04602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00390	0.1
73.84396	0.1
79.95737	2.2
85.02958	0.2
96.84769	0.1
96.96014	100.0
97.02361	0.1
97.95980	0.1
98.95589	0.2
158.40936	0.1
178.44678	0.1
229.09798	0.1
273.12537	0.1
287.09592	21.7
288.09857	0.2
317.11224	0.1
335.12457	0.2
607.00806	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.5
69.55962	4.4
71.01378	19.2
71.04970	1.0
72.93665	1.1
73.02937	4.0
83.01381	2.2
85.02943	3.9
87.00864	2.9
89.02447	17.2
97.02932	3.8
97.06580	3.8
99.00880	1.3
101.02448	15.5
113.02450	8.5
119.03482	4.9
123.04541	1.5
125.01651	1.4
125.02440	7.6
143.03448	3.6
151.11287	5.0
161.04544	3.4
163.11224	1.4
165.12852	5.2
179.05641	4.5
181.12344	6.5
187.12891	1.2
191.10757	3.0
192.87680	1.2
209.11815	21.8
235.08192	7.9
245.19034	2.5
253.09145	2.6
263.20178	2.1
277.21719	52.2
278.22205	1.6
287.07767	3.9
289.18130	3.7
305.08820	2.1
307.19077	13.6
336.03006	1.4
397.13501	100.0
398.13803	1.6
415.14542	32.7
592.62640	1.3
594.95679	1.2
675.35706	5.0
738.76648	1.7
781.54712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	1.6
69.34182	1.6
71.01382	20.5
72.99288	0.6
73.02950	3.7
81.03432	0.9
83.01383	2.3
85.02943	3.7
87.00883	4.4
89.02445	18.1
95.01359	1.5
97.02946	3.9
97.06590	0.8
98.21958	0.8
99.00878	1.5
101.02448	16.7
101.37302	0.4
109.02917	0.8
109.06557	0.4
110.03728	0.4
111.04494	1.2
113.01713	0.7
113.02449	8.2
119.03504	4.9
120.24220	0.3
121.02962	0.4
121.06578	0.9
124.01669	0.6
125.02438	7.5
125.05997	0.5
131.03517	0.8
133.05092	0.8
139.04031	0.6
143.03482	3.1
161.04541	3.9
165.12837	0.7
175.11272	0.9
176.88324	0.3
179.05621	3.9
191.10695	0.4
193.12329	0.4
198.73570	0.3
199.06093	0.4
203.05855	0.3
209.11826	3.4
209.90213	0.3
217.07172	0.5
219.05061	0.4
221.06667	1.6
233.22870	0.4
235.08209	10.3
237.11313	15.3
238.11537	0.4
253.09286	2.3
263.07666	1.0
277.21719	52.4
278.22043	0.6
287.07678	3.4
289.17950	2.2
305.08780	3.9
307.19147	43.5
308.19525	0.6
323.09967	1.1
379.12476	0.7
397.13498	100.0
398.13696	1.1
415.14563	33.0
416.15173	0.5
490.09949	0.4
675.24841	0.7
675.35883	6.1
839.30682	0.4
949.49738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.7
71.01381	23.1
71.05025	0.4
72.99292	0.7
73.02947	4.4
75.00860	0.2
77.64317	0.1
81.03452	1.2
83.01389	3.0
83.05019	0.4
85.02950	12.4
87.00883	1.5
89.02447	12.1
95.01382	1.9
97.02962	1.1
99.00884	1.3
99.04523	2.6
101.02444	15.9
103.04008	0.4
109.02955	5.2
113.02452	8.3
115.04014	0.4
119.02641	0.2
119.03503	3.9
125.02447	0.4
127.04013	4.2
129.01933	0.2
130.08720	0.3
131.03491	0.5
143.03503	0.6
145.05067	3.6
149.04652	0.1
159.03000	0.6
161.04558	2.7
163.06113	0.2
179.05597	0.6
207.35355	0.1
261.09766	0.2
289.09183	0.5
307.24426	0.2
439.32199	1.4
469.33109	0.2
471.35178	0.7
518.13837	0.1
541.35583	0.2
581.38354	0.6
617.40588	6.2
618.41144	0.3
779.45868	15.8
780.45953	0.5
784.01166	0.1
826.41791	0.1
934.42065	0.2
941.51105	100.0
942.51276	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61620	1.4
71.63557	0.5
93.64529	0.5
98.22687	0.5
107.90914	0.4
108.02176	2.8
117.50288	0.5
128.07909	0.5
175.60301	0.4
179.08560	0.4
189.07060	2.4
191.08559	0.9
203.08710	1.1
204.05827	1.3
205.06609	1.3
206.07356	0.7
207.08090	1.0
209.12187	0.5
210.06895	0.9
216.05768	0.6
217.06616	1.4
218.07411	0.8
218.22867	0.5
219.08156	1.7
220.05177	0.6
221.06062	0.9
223.07620	0.7
229.06593	0.7
231.08138	1.6
232.05315	7.1
233.06114	3.7
234.06807	3.1
235.07646	3.0
236.04782	1.4
236.08424	0.6
245.06015	1.8
246.06856	2.0
247.07603	5.3
248.04718	0.6
248.08444	3.1
249.05606	2.0
249.09137	2.8
250.06424	1.9
251.07129	2.8
259.07516	1.0
260.04617	0.8
261.05487	3.9
262.06369	2.8
263.07098	3.1
264.04279	7.4
264.07477	0.9
265.08484	0.5
274.06512	0.6
275.07144	8.0
276.04468	0.8
276.07843	2.1
277.05072	3.3
277.08633	2.0
278.05814	7.5
279.06610	18.6
279.09793	1.0
289.05130	3.4
290.05814	1.6
290.09149	0.6
291.06647	1.6
291.09680	0.6
292.03757	3.4
292.07123	0.9
293.04800	1.0
293.08176	9.9
294.08987	12.6
297.11154	0.7
303.06674	0.9
304.07315	1.9
305.04514	1.7
305.08139	1.7
306.05371	3.3
307.06119	9.6
308.10526	22.9
309.07715	2.0
309.11273	18.6
317.04459	0.6
319.06152	1.6
320.03351	0.6
320.06879	1.7
321.07660	8.6
322.08395	5.0
323.05621	0.7
323.09189	0.5
327.21674	1.8
332.06915	1.4
335.05545	4.1
335.09244	17.6
336.10034	4.8
337.10803	43.0
349.07217	0.9
350.07965	1.3
365.10275	55.5
367.08185	4.0
379.08203	1.0
409.09259	100.0
410.09558	1.2
985.52484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89980	0.9
69.03445	1.4
71.01011	1.5
71.01380	19.6
71.01772	1.1
72.99320	1.4
73.02943	3.6
79.95733	2.8
80.02683	2.7
81.03432	2.7
83.01393	3.0
83.05024	8.1
84.02175	2.4
85.02945	4.3
87.00869	3.5
89.02438	18.4
95.01392	2.1
97.02951	4.6
97.06608	2.1
97.19270	0.9
98.21864	2.2
99.00902	1.3
101.02441	17.2
111.00885	1.2
111.04495	1.7
113.02448	11.6
113.09774	1.4
119.03497	6.1
125.02445	7.8
125.09718	1.2
127.11282	1.6
131.03477	1.0
137.09712	14.2
139.11278	2.9
143.03511	3.3
151.11377	1.0
152.08415	3.1
153.09198	1.7
155.10802	12.0
161.04539	4.3
162.10454	0.9
171.10242	15.0
179.05574	3.8
183.13919	1.2
193.12350	5.5
199.06291	1.1
209.11836	1.1
209.15363	1.9
211.13347	2.4
214.34123	1.1
217.07439	0.9
235.08148	10.3
245.18942	1.2
247.20697	1.5
253.09335	1.9
263.07660	1.1
263.20273	5.2
264.20370	1.1
277.21719	56.6
278.21942	1.2
287.07712	3.0
289.18024	1.1
291.19653	18.2
305.08652	3.2
307.18970	4.6
308.19333	6.3
309.17206	4.7
309.20673	61.7
397.13486	100.0
398.13953	2.1
415.14539	27.5
675.35760	5.3
943.04657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47062	1.9
71.01364	2.3
72.99326	0.8
73.02903	0.5
75.00861	0.5
75.45518	0.4
75.99364	0.4
79.95740	22.2
80.96507	1.2
85.02944	1.2
87.00857	0.7
94.98083	0.5
95.95226	5.0
96.96015	100.0
110.97586	1.5
113.02463	1.2
122.97581	7.8
138.97139	0.8
150.97081	6.0
152.98633	0.8
168.98199	0.5
185.86070	0.4
194.99666	4.5
210.99171	19.0
212.00043	0.7
213.00792	0.5
226.98849	0.8
241.00249	0.8
241.41682	0.5
247.12495	0.5
268.99780	2.1
277.05093	0.4
284.70346	0.5
289.05099	1.3
290.06006	1.1
291.06656	0.7
304.03793	1.1
304.07214	0.7
319.06125	2.3
364.05884	0.6
366.07370	0.6
379.08160	4.2
525.51831	0.5
553.62183	0.5
607.11768	1.4
646.33740	0.6
987.20856	47.4
988.21655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69708	0.2
69.70084	0.2
71.01382	1.7
73.02947	0.3
81.03448	0.2
83.01372	0.3
83.05015	0.2
85.02961	0.4
87.00874	0.4
89.02445	1.3
89.11708	0.1
97.02937	0.3
97.06557	0.3
99.08165	0.2
101.02447	1.2
113.02457	0.4
113.09716	0.6
115.07639	0.6
117.69176	0.1
119.03527	0.4
125.02444	0.7
127.07654	0.5
127.11277	0.1
128.08466	0.6
131.03520	0.1
139.11288	0.3
143.03511	0.3
157.08734	0.2
161.04504	0.3
161.18333	0.1
167.14401	2.0
169.12283	0.2
171.10298	0.3
179.05650	0.2
181.12366	0.2
183.13901	1.5
193.12193	0.2
195.13895	8.8
196.14288	0.2
197.11873	0.3
211.13397	1.4
213.14987	1.0
221.06798	0.1
229.14502	0.2
235.08073	0.6
239.23698	0.2
241.14450	0.3
242.15190	1.3
249.22206	0.4
265.21857	0.7
267.23224	0.6
275.20068	0.5
277.21707	3.9
278.21979	0.3
279.22360	0.1
283.22809	0.4
291.19727	0.2
293.21228	6.8
294.21527	0.2
305.08771	0.3
309.20724	0.4
310.21103	0.4
311.22266	100.0
312.22574	1.2
397.13492	6.7
398.13998	0.6
399.13925	0.2
415.14468	1.9
416.14819	0.1
417.15271	0.2
537.81213	0.2
675.36169	0.5
841.70160	0.2
898.84662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5921
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	84.0
96.96963	6.6
101.13220	0.6
109.06396	0.7
111.17776	0.6
145.87794	0.8
152.99568	17.9
171.00632	21.8
244.71333	0.7
256.91235	0.8
279.23260	10.8
281.99097	0.7
356.66556	0.7
402.24081	2.6
476.27805	100.0
510.05707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.5
71.71931	0.7
73.02939	4.0
83.01386	2.1
85.02946	4.8
89.02450	3.6
89.61635	0.6
95.01396	1.1
99.00857	0.8
101.02432	4.9
103.59258	0.7
113.02432	7.7
119.03524	2.2
136.71651	0.6
160.37700	0.7
161.04558	2.0
203.29449	0.7
245.06006	1.0
247.03989	2.3
248.08469	1.4
249.09131	2.0
260.04825	1.5
261.05573	3.2
262.06302	1.0
263.07043	0.6
273.05569	3.1
275.03546	4.5
276.04276	3.4
276.07837	1.2
277.05032	2.8
277.08600	1.2
289.05038	12.4
290.05835	9.7
291.06647	3.6
291.09583	0.8
292.07281	1.0
302.05969	0.7
304.03766	12.4
304.07382	4.5
305.04596	5.2
305.08234	3.0
306.08997	0.8
308.07034	0.8
319.06119	22.6
320.06775	1.9
330.76434	0.7
334.08414	3.8
338.07870	0.7
364.05878	6.0
364.10074	0.9
366.07452	5.0
379.08228	100.0
380.08392	1.8
381.22794	17.5
399.23877	15.2
441.24963	15.4
612.42047	0.9
END